CHEMBL128338 DSViewer 3D 0 32 35 0 0 0 0 0 0 0 0999 V2000 4.7509 -7.4445 0.0579 N 0 0 0 0 0 0 0 0 0 1 5.3328 1.0715 -0.1678 C 0 0 0 0 0 0 0 0 0 2 3.5792 7.5545 0.1324 N 0 3 0 0 0 0 0 0 0 3 5.3957 -0.2711 -0.0152 C 0 0 0 0 0 0 0 0 0 4 3.6005 -6.8884 0.0988 C 0 0 0 0 0 0 0 0 0 5 4.9466 -8.7744 0.1142 N 0 0 0 0 0 0 0 0 0 6 3.9078 -9.6798 -0.0604 C 0 0 0 0 0 0 0 0 0 7 4.1408 -1.0585 0.1362 N 0 0 0 0 0 0 0 0 0 8 6.6396 1.8177 -0.4674 C 0 0 0 0 0 0 0 0 0 9 2.3504 -7.7940 0.2499 C 0 0 3 0 0 0 0 0 0 10 3.6107 6.1570 0.1513 C 0 0 0 0 0 0 0 0 0 11 3.9070 1.7764 -0.1334 C 0 0 0 0 0 0 0 0 0 12 4.6782 8.2398 0.4254 O 0 5 0 0 0 0 0 0 0 13 3.6311 -5.3736 0.0886 C 0 0 0 0 0 0 0 0 0 14 2.6067 8.1216 -0.2059 O 0 0 0 0 0 0 0 0 0 15 2.5537 -9.1769 -0.3885 C 0 0 0 0 0 0 0 0 0 16 4.1351 -10.8948 -0.0389 O 0 0 0 0 0 0 0 0 0 17 6.6283 2.9544 -0.9420 O 0 0 0 0 0 0 0 0 0 18 2.4639 5.3639 -0.3101 C 0 0 0 0 0 0 0 0 0 19 4.7104 5.5402 0.5638 C 0 0 0 0 0 0 0 0 0 20 3.9766 -2.5463 0.1186 C 0 0 0 0 0 0 0 0 0 21 2.4651 -4.4653 0.2653 C 0 0 0 0 0 0 0 0 0 22 4.8278 -4.8258 -0.0574 C 0 0 0 0 0 0 0 0 0 23 3.7983 3.3443 0.0331 C 0 0 0 0 0 0 0 0 0 24 6.7700 -0.9459 -0.0492 C 0 0 0 0 0 0 0 0 0 25 2.6309 -3.1350 0.2796 C 0 0 0 0 0 0 0 0 0 26 4.9954 -3.3921 -0.0494 C 0 0 0 0 0 0 0 0 0 27 2.5522 4.0307 -0.3703 C 0 0 0 0 0 0 0 0 0 28 4.7925 4.0895 0.5186 C 0 0 0 0 0 0 0 0 0 29 7.9676 1.1588 -0.3483 C 0 0 0 0 0 0 0 0 0 30 7.8495 -0.0573 0.5152 C 0 0 0 0 0 0 0 0 0 31 0.9715 -7.2199 -0.1428 C 0 0 0 0 0 0 0 0 0 32 2 4 2 0 0 0 3 11 1 0 0 0 4 8 1 0 0 0 5 1 2 0 0 0 6 1 1 0 0 0 7 6 1 0 0 0 8 21 1 0 0 0 9 2 1 0 0 0 10 5 1 0 0 0 11 20 2 0 0 0 12 2 1 0 0 0 13 3 1 0 0 0 14 5 1 0 0 0 15 3 2 0 0 0 16 7 1 0 0 0 17 7 2 0 0 0 18 9 2 0 0 0 19 28 2 0 0 0 20 29 1 0 0 0 21 27 2 0 0 0 22 14 1 0 0 0 23 14 2 0 0 0 24 12 1 0 0 0 25 4 1 0 0 0 26 22 2 0 0 0 27 23 1 0 0 0 28 24 1 0 0 0 29 24 2 0 0 0 30 31 1 0 0 0 31 25 1 0 0 0 32 10 1 0 0 0 16 10 1 0 0 0 26 21 1 0 0 0 30 9 1 0 0 0 11 19 1 0 0 0 M CHG 2 3 1 13 -1 M END > 1 $$$$ CHEMBL129407 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 3.8042 -3.0667 0.0000 C 0 0 3.1667 -3.5792 0.0000 C 0 0 4.4917 -3.5167 0.0000 N 0 0 4.5167 1.4833 0.0000 C 0 0 3.8042 -2.2375 0.0000 C 0 0 4.2667 -4.3125 0.0000 N 0 0 3.4542 -4.3500 0.0000 C 0 0 4.5167 0.6583 0.0000 C 0 0 4.5250 -1.8250 0.0000 C 0 0 3.8042 0.2458 0.0000 N 0 0 5.2292 1.8958 0.0000 C 0 0 4.5250 -0.9917 0.0000 C 0 0 3.0917 -1.8250 0.0000 C 0 0 3.8042 1.8958 0.0000 C 0 0 3.8042 -0.5792 0.0000 C 0 0 3.0125 -5.0500 0.0000 O 0 0 5.2375 2.5958 0.0000 O 0 0 3.8042 2.7208 0.0000 C 0 0 5.2417 -2.2417 0.0000 F 0 0 3.0917 -1.0000 0.0000 C 0 0 2.7417 -2.8625 0.0000 C 0 0 2.4542 -3.9917 0.0000 C 0 0 3.0917 3.1333 0.0000 C 0 0 3.0917 3.9583 0.0000 C 0 0 5.2292 0.2458 0.0000 C 0 0 2.3792 4.3542 0.0000 F 0 0 5.9500 1.4833 0.0000 C 0 0 5.9500 0.6583 0.0000 C 0 0 4.5292 3.9583 0.0000 C 0 0 4.5250 3.1333 0.0000 C 0 0 3.8125 4.3667 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 10 1 0 9 5 2 0 10 15 1 0 11 4 1 0 12 9 1 0 13 5 1 0 14 4 1 0 15 20 1 0 16 7 2 0 17 11 2 0 18 14 1 0 19 9 1 0 20 13 2 0 21 2 1 0 22 2 1 0 23 18 1 0 24 23 2 0 25 8 1 0 26 24 1 0 27 28 1 0 28 25 1 0 29 30 1 0 30 18 2 0 31 29 2 0 6 7 1 0 15 12 2 0 27 11 1 0 31 24 1 0 M END > CHEMBL129407 > 1 $$$$ CHEMBL341354 SciTegic12291823182D 32 35 0 0 0 0 999 V2000 6.4167 -5.3000 0.0000 N 0 0 6.4042 -0.3542 0.0000 C 0 0 4.2417 2.4958 0.0000 N 0 3 6.4167 -1.1750 0.0000 C 0 0 5.7042 -4.8917 0.0000 C 0 0 6.4167 -6.1167 0.0000 N 0 0 5.7042 -6.5375 0.0000 C 0 0 5.7000 -1.5875 0.0000 N 0 0 4.9625 2.1000 0.0000 C 0 0 7.1167 0.0625 0.0000 C 0 0 4.9917 -5.3000 0.0000 C 0 0 5.6917 0.0583 0.0000 C 0 0 4.2292 3.3208 0.0000 O 0 5 5.7042 -4.0667 0.0000 C 0 0 3.5292 2.0833 0.0000 O 0 0 4.9917 -6.1250 0.0000 C 0 0 4.9667 1.2833 0.0000 C 0 0 5.6792 0.8833 0.0000 C 0 0 5.7042 -7.3625 0.0000 O 0 0 7.1125 0.8875 0.0000 O 0 0 5.7042 -2.4125 0.0000 C 0 0 4.9917 -3.6542 0.0000 C 0 0 6.4167 -3.6542 0.0000 C 0 0 7.1292 -1.5875 0.0000 C 0 0 6.4167 -2.8250 0.0000 C 0 0 4.9917 -2.8250 0.0000 C 0 0 5.6750 2.5250 0.0000 C 0 0 7.8375 -0.3417 0.0000 C 0 0 7.8417 -1.1750 0.0000 C 0 0 4.2792 -4.8875 0.0000 C 0 0 6.3917 2.1208 0.0000 C 0 0 6.4000 1.2958 0.0000 C 0 0 2 4 2 0 3 9 1 0 4 8 1 0 5 1 2 0 6 1 1 0 7 6 1 0 8 21 1 0 9 17 2 0 10 2 1 0 11 5 1 0 12 2 1 0 13 3 1 0 14 5 1 0 15 3 2 0 16 7 1 0 17 18 1 0 18 12 1 0 19 7 2 0 20 10 2 0 21 25 2 0 22 14 1 0 23 14 2 0 24 4 1 0 25 23 1 0 26 22 2 0 27 31 2 0 28 29 1 0 29 24 1 0 30 11 1 0 31 32 1 0 32 18 2 0 16 11 1 0 26 21 1 0 28 10 1 0 27 9 1 0 M CHG 2 3 1 13 -1 M END > CHEMBL341354 > 1 $$$$ CHEMBL129689 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 6.0292 -3.2250 0.0000 C 0 0 5.3667 -3.7042 0.0000 C 0 0 6.7000 -3.7042 0.0000 N 0 0 6.7292 1.3125 0.0000 C 0 0 6.4417 -4.4917 0.0000 N 0 0 5.6167 -4.4917 0.0000 C 0 0 6.7417 0.4958 0.0000 C 0 0 6.0292 -2.4000 0.0000 C 0 0 6.0250 0.0833 0.0000 N 0 0 6.7417 -1.9875 0.0000 C 0 0 7.4417 1.7333 0.0000 C 0 0 5.3167 -1.9875 0.0000 C 0 0 6.0167 1.7208 0.0000 C 0 0 6.0292 -0.7417 0.0000 C 0 0 6.7417 -1.1542 0.0000 C 0 0 5.1292 -5.1542 0.0000 O 0 0 7.4375 2.5583 0.0000 O 0 0 5.3167 -1.1625 0.0000 C 0 0 4.6500 -4.1167 0.0000 C 0 0 4.9500 -2.9917 0.0000 C 0 0 6.0042 2.5458 0.0000 C 0 0 7.4542 0.0833 0.0000 C 0 0 8.1625 1.3208 0.0000 C 0 0 7.4625 -2.4000 0.0000 C 0 0 8.1667 0.4958 0.0000 C 0 0 5.2917 2.9583 0.0000 C 0 0 6.7250 2.9625 0.0000 C 0 0 6.7167 3.7958 0.0000 C 0 0 5.2875 3.7708 0.0000 C 0 0 6.0000 4.1917 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 7 2 0 5 3 1 0 6 2 1 0 7 9 1 0 8 1 1 0 9 14 1 0 10 8 2 0 11 4 1 0 12 8 1 0 13 4 1 0 14 18 1 0 15 10 1 0 16 6 2 0 17 11 2 0 18 12 2 0 19 2 1 0 20 2 1 0 21 13 1 0 22 7 1 0 23 25 1 0 24 10 1 0 25 22 1 0 26 21 1 0 27 21 2 0 28 27 1 0 29 26 2 0 30 28 2 0 5 6 1 0 14 15 2 0 11 23 1 0 30 29 1 0 M END > CHEMBL129689 > 1 $$$$ CHEMBL128485 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 3.4542 -4.4875 0.0000 C 0 0 2.7917 -4.9667 0.0000 C 0 0 4.1250 -4.9667 0.0000 N 0 0 4.1542 0.0500 0.0000 C 0 0 3.4542 -3.6625 0.0000 C 0 0 3.8667 -5.7542 0.0000 N 0 0 3.0417 -5.7542 0.0000 C 0 0 4.1667 -0.7667 0.0000 C 0 0 4.1667 -3.2500 0.0000 C 0 0 3.4500 -1.1792 0.0000 N 0 0 4.8667 0.4708 0.0000 C 0 0 4.1667 -2.4167 0.0000 C 0 0 2.7417 -3.2500 0.0000 C 0 0 3.4417 0.4583 0.0000 C 0 0 3.4542 -2.0042 0.0000 C 0 0 2.5542 -6.4167 0.0000 O 0 0 4.8625 1.2958 0.0000 O 0 0 4.8875 -3.6625 0.0000 F 0 0 2.7417 -2.4250 0.0000 C 0 0 2.3750 -4.2542 0.0000 C 0 0 2.0667 -5.3792 0.0000 C 0 0 3.4292 1.2833 0.0000 C 0 0 4.8792 -1.1792 0.0000 C 0 0 5.5875 0.0583 0.0000 C 0 0 5.5917 -0.7667 0.0000 C 0 0 2.7167 1.6875 0.0000 C 0 0 4.1500 1.7000 0.0000 C 0 0 4.1417 2.5250 0.0000 C 0 0 2.7125 2.5083 0.0000 C 0 0 3.4250 2.9333 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 10 1 0 9 5 2 0 10 15 1 0 11 4 1 0 12 9 1 0 13 5 1 0 14 4 1 0 15 19 1 0 16 7 2 0 17 11 2 0 18 9 1 0 19 13 2 0 20 2 1 0 21 2 1 0 22 14 1 0 23 8 1 0 24 25 1 0 25 23 1 0 26 22 1 0 27 22 2 0 28 27 1 0 29 26 2 0 30 28 2 0 6 7 1 0 15 12 2 0 11 24 1 0 30 29 1 0 M END > CHEMBL128485 > 1 $$$$ CHEMBL341231 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 6.7042 -3.4000 0.0000 N 0 0 6.6917 1.5458 0.0000 C 0 0 6.7000 0.7250 0.0000 C 0 0 5.9875 -2.9917 0.0000 C 0 0 6.7042 -4.2167 0.0000 N 0 0 5.9875 -4.6375 0.0000 C 0 0 5.9792 0.3125 0.0000 N 0 0 7.4000 1.9625 0.0000 C 0 0 5.2750 -3.4000 0.0000 C 0 0 5.9750 1.9583 0.0000 C 0 0 5.9875 -2.1667 0.0000 C 0 0 5.2750 -4.2250 0.0000 C 0 0 5.9917 -5.4625 0.0000 O 0 0 7.3917 2.7875 0.0000 O 0 0 5.9667 2.7833 0.0000 C 0 0 5.9875 -0.5125 0.0000 C 0 0 6.7042 -1.7542 0.0000 C 0 0 5.2750 -1.7542 0.0000 C 0 0 5.2542 3.1833 0.0000 C 0 0 5.2417 4.0000 0.0000 C 0 0 7.4125 0.3125 0.0000 C 0 0 5.2750 -0.9250 0.0000 C 0 0 6.7042 -0.9250 0.0000 C 0 0 4.5250 4.4000 0.0000 F 0 0 8.1167 1.5583 0.0000 C 0 0 8.1250 0.7250 0.0000 C 0 0 4.5625 -2.9875 0.0000 C 0 0 6.6792 4.0167 0.0000 C 0 0 6.6792 3.1958 0.0000 C 0 0 5.9542 4.4167 0.0000 C 0 0 2 3 2 0 3 7 1 0 4 1 2 0 5 1 1 0 6 5 1 0 7 16 1 0 8 2 1 0 9 4 1 0 10 2 1 0 11 4 1 0 12 6 1 0 13 6 2 0 14 8 2 0 15 10 1 0 16 22 1 0 17 11 2 0 18 11 1 0 19 15 1 0 20 19 2 0 21 3 1 0 22 18 2 0 23 17 1 0 24 20 1 0 25 26 1 0 26 21 1 0 27 9 1 0 28 29 1 0 29 15 2 0 30 28 2 0 12 9 1 0 16 23 2 0 25 8 1 0 30 20 1 0 M END > CHEMBL341231 > 1 $$$$ CHEMBL421249 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 4.9167 -5.2667 0.0000 N 0 0 4.9042 -0.3250 0.0000 C 0 0 4.2042 -4.8625 0.0000 C 0 0 4.9167 -1.1417 0.0000 C 0 0 4.2042 -4.0375 0.0000 C 0 0 4.9167 -6.0917 0.0000 N 0 0 4.2000 -1.5542 0.0000 N 0 0 4.2042 -6.5125 0.0000 C 0 0 4.9167 -3.6250 0.0000 C 0 0 3.4917 -5.2667 0.0000 C 0 0 5.6167 0.0958 0.0000 C 0 0 3.4917 -3.6250 0.0000 C 0 0 4.1917 0.0833 0.0000 C 0 0 3.4917 -6.0917 0.0000 C 0 0 4.2042 -2.3792 0.0000 C 0 0 4.9167 -2.7917 0.0000 C 0 0 4.2042 -7.3375 0.0000 O 0 0 5.6125 0.9208 0.0000 O 0 0 3.4917 -2.8000 0.0000 C 0 0 4.1792 0.9083 0.0000 C 0 0 5.6292 -1.5542 0.0000 C 0 0 6.3375 -0.3167 0.0000 C 0 0 5.6375 -4.0375 0.0000 C 0 0 6.3417 -1.1417 0.0000 C 0 0 2.7792 -4.8542 0.0000 C 0 0 4.9000 1.3250 0.0000 C 0 0 3.4667 1.3125 0.0000 C 0 0 3.4625 2.1333 0.0000 C 0 0 4.8917 2.1500 0.0000 C 0 0 4.1750 2.5583 0.0000 C 0 0 2 4 2 0 3 1 2 0 4 7 1 0 5 3 1 0 6 1 1 0 7 15 1 0 8 6 1 0 9 5 2 0 10 3 1 0 11 2 1 0 12 5 1 0 13 2 1 0 14 8 1 0 15 19 1 0 16 9 1 0 17 8 2 0 18 11 2 0 19 12 2 0 20 13 1 0 21 4 1 0 22 24 1 0 23 9 1 0 24 21 1 0 25 10 1 0 26 20 2 0 27 20 1 0 28 27 2 0 29 26 1 0 30 28 1 0 14 10 1 0 15 16 2 0 22 11 1 0 30 29 2 0 M END > CHEMBL421249 > 1 $$$$ CHEMBL131672 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 4.0542 -2.8417 0.0000 C 0 0 3.4167 -3.3542 0.0000 C 0 0 4.7417 -3.3000 0.0000 N 0 0 4.7667 1.7083 0.0000 C 0 0 4.0542 -2.0167 0.0000 C 0 0 4.5167 -4.0917 0.0000 N 0 0 3.7042 -4.1292 0.0000 C 0 0 4.7667 0.8750 0.0000 C 0 0 4.0542 2.1208 0.0000 C 0 0 4.7750 -1.6042 0.0000 C 0 0 4.0542 0.4625 0.0000 N 0 0 5.4792 2.1208 0.0000 C 0 0 4.7750 -0.7750 0.0000 C 0 0 3.3417 -1.6042 0.0000 C 0 0 4.0542 2.9458 0.0000 C 0 0 4.0542 -0.3625 0.0000 C 0 0 3.2625 -4.8292 0.0000 O 0 0 3.3417 3.3583 0.0000 C 0 0 5.4875 2.8125 0.0000 O 0 0 5.4917 -2.0250 0.0000 F 0 0 3.3417 -0.7750 0.0000 C 0 0 2.7042 -3.7750 0.0000 C 0 0 2.9917 -2.6417 0.0000 C 0 0 2.6292 2.9375 0.0000 F 0 0 5.4792 0.4625 0.0000 C 0 0 6.2000 1.7083 0.0000 C 0 0 6.2000 0.8750 0.0000 C 0 0 4.7750 3.3583 0.0000 C 0 0 3.3417 4.1667 0.0000 C 0 0 4.7792 4.1667 0.0000 C 0 0 4.0625 4.5875 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 11 1 0 9 4 1 0 10 5 2 0 11 16 1 0 12 4 1 0 13 10 1 0 14 5 1 0 15 9 1 0 16 21 1 0 17 7 2 0 18 15 1 0 19 12 2 0 20 10 1 0 21 14 2 0 22 2 1 0 23 2 1 0 24 18 1 0 25 8 1 0 26 27 1 0 27 25 1 0 28 15 2 0 29 18 2 0 30 28 1 0 31 30 2 0 6 7 1 0 16 13 2 0 26 12 1 0 31 29 1 0 M END > CHEMBL131672 > 1 $$$$ CHEMBL128263 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 3.4667 -3.9375 0.0000 C 0 0 2.8250 -4.4417 0.0000 C 0 0 4.1500 -4.3917 0.0000 N 0 0 4.1792 0.6125 0.0000 C 0 0 3.4667 -3.1042 0.0000 C 0 0 3.9292 -5.1792 0.0000 N 0 0 3.1167 -5.2167 0.0000 C 0 0 4.1792 -0.2167 0.0000 C 0 0 4.1792 -2.6917 0.0000 C 0 0 3.4667 -0.6292 0.0000 N 0 0 4.8917 1.0250 0.0000 C 0 0 4.1792 -1.8667 0.0000 C 0 0 2.7542 -2.6917 0.0000 C 0 0 3.4667 1.0250 0.0000 C 0 0 3.4667 -1.4542 0.0000 C 0 0 2.6667 -5.9167 0.0000 O 0 0 4.8917 1.7208 0.0000 O 0 0 4.9042 -3.1167 0.0000 F 0 0 2.7542 -1.8667 0.0000 C 0 0 3.4667 1.8500 0.0000 C 0 0 2.4042 -3.7292 0.0000 C 0 0 2.1125 -4.8667 0.0000 C 0 0 3.4667 3.4958 0.0000 C 0 0 4.8917 -0.6292 0.0000 C 0 0 3.4667 4.3167 0.0000 F 0 0 2.7542 2.2583 0.0000 C 0 0 4.1792 2.2583 0.0000 C 0 0 4.1875 3.0833 0.0000 C 0 0 2.7542 3.0833 0.0000 C 0 0 5.6042 0.6125 0.0000 C 0 0 5.6042 -0.2167 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 10 1 0 9 5 2 0 10 15 1 0 11 4 1 0 12 9 1 0 13 5 1 0 14 4 1 0 15 19 1 0 16 7 2 0 17 11 2 0 18 9 1 0 19 13 2 0 20 14 1 0 21 2 1 0 22 2 1 0 23 28 2 0 24 8 1 0 25 23 1 0 26 20 1 0 27 20 2 0 28 27 1 0 29 26 2 0 30 31 1 0 31 24 1 0 6 7 1 0 15 12 2 0 30 11 1 0 23 29 1 0 M END > CHEMBL128263 > 1 $$$$ CHEMBL129692 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 4.3792 -3.9917 0.0000 N 0 0 3.6667 -3.5917 0.0000 C 0 0 4.3792 -4.8167 0.0000 N 0 0 4.3792 0.1333 0.0000 C 0 0 3.6667 -5.2417 0.0000 C 0 0 2.9542 -3.9917 0.0000 C 0 0 3.6625 -0.2792 0.0000 N 0 0 3.6667 -2.7667 0.0000 C 0 0 2.9542 -4.8167 0.0000 C 0 0 4.3750 0.9458 0.0000 O 0 0 5.0917 -0.2792 0.0000 O 0 0 3.6667 -6.0667 0.0000 O 0 0 4.3792 -2.3542 0.0000 C 0 0 2.9542 -2.3542 0.0000 C 0 0 3.6667 -1.1042 0.0000 C 0 0 5.8042 0.1333 0.0000 C 0 0 4.3792 -1.5167 0.0000 C 0 0 2.9542 -1.5167 0.0000 C 0 0 6.5167 -0.2792 0.0000 C 0 0 2.2417 -3.5792 0.0000 C 0 0 6.5167 -1.1042 0.0000 C 0 0 7.2292 0.1458 0.0000 C 0 0 7.9417 -0.2667 0.0000 C 0 0 7.2375 -1.5042 0.0000 C 0 0 7.9500 -1.0917 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 7 1 0 5 3 1 0 6 2 1 0 7 15 1 0 8 2 1 0 9 5 1 0 10 4 2 0 11 4 1 0 12 5 2 0 13 8 2 0 14 8 1 0 15 18 1 0 16 11 1 0 17 13 1 0 18 14 2 0 19 16 1 0 20 6 1 0 21 19 2 0 22 19 1 0 23 22 2 0 24 21 1 0 25 23 1 0 9 6 1 0 15 17 2 0 25 24 2 0 M END > CHEMBL129692 > 1 $$$$ CHEMBL131355 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 5.9167 -4.3292 0.0000 N 0 0 5.9042 0.6125 0.0000 C 0 0 5.9167 -0.2042 0.0000 C 0 0 5.2042 -3.9250 0.0000 C 0 0 5.9167 -5.1542 0.0000 N 0 0 5.2042 -5.5750 0.0000 C 0 0 5.2000 -0.6167 0.0000 N 0 0 6.6167 1.0333 0.0000 C 0 0 4.4917 -4.3292 0.0000 C 0 0 5.1917 1.0208 0.0000 C 0 0 5.2042 -3.1000 0.0000 C 0 0 4.4917 -5.1542 0.0000 C 0 0 5.2042 -6.4000 0.0000 O 0 0 6.6125 1.8583 0.0000 O 0 0 5.1792 1.8458 0.0000 C 0 0 5.2042 -1.4417 0.0000 C 0 0 5.9167 -2.6875 0.0000 C 0 0 4.4917 -2.6875 0.0000 C 0 0 4.4667 2.2500 0.0000 C 0 0 4.4625 3.0708 0.0000 C 0 0 6.6292 -0.6167 0.0000 C 0 0 4.4917 -1.8625 0.0000 C 0 0 5.9167 -1.8542 0.0000 C 0 0 3.7417 3.4708 0.0000 I 0 0 7.3375 0.6208 0.0000 C 0 0 7.3417 -0.2042 0.0000 C 0 0 3.7792 -3.9167 0.0000 C 0 0 5.8917 3.0833 0.0000 C 0 0 5.9000 2.2708 0.0000 C 0 0 5.1750 3.4958 0.0000 C 0 0 2 3 2 0 3 7 1 0 4 1 2 0 5 1 1 0 6 5 1 0 7 16 1 0 8 2 1 0 9 4 1 0 10 2 1 0 11 4 1 0 12 6 1 0 13 6 2 0 14 8 2 0 15 10 1 0 16 22 1 0 17 11 2 0 18 11 1 0 19 15 1 0 20 19 2 0 21 3 1 0 22 18 2 0 23 17 1 0 24 20 1 0 25 26 1 0 26 21 1 0 27 9 1 0 28 29 1 0 29 15 2 0 30 28 2 0 12 9 1 0 16 23 2 0 25 8 1 0 30 20 1 0 M END > CHEMBL131355 > 1 $$$$ CHEMBL128783 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 4.1250 -3.2917 0.0000 N 0 0 4.1125 1.6583 0.0000 C 0 0 3.4042 -2.8792 0.0000 C 0 0 3.4042 -2.0542 0.0000 C 0 0 4.1167 0.8333 0.0000 C 0 0 4.1250 -4.1125 0.0000 N 0 0 4.1250 -1.6417 0.0000 C 0 0 3.4042 0.4208 0.0000 N 0 0 3.4042 -4.5292 0.0000 C 0 0 2.6917 -3.2917 0.0000 C 0 0 4.8167 2.0708 0.0000 C 0 0 4.1250 -0.8167 0.0000 C 0 0 2.6917 -1.6417 0.0000 C 0 0 3.3917 2.0625 0.0000 C 0 0 3.4042 -0.4042 0.0000 C 0 0 2.6917 -4.1167 0.0000 C 0 0 3.4125 -5.3542 0.0000 O 0 0 4.8167 2.8958 0.0000 O 0 0 4.8417 -2.0542 0.0000 Cl 0 0 2.6917 -0.8167 0.0000 C 0 0 3.3875 2.8958 0.0000 C 0 0 4.8292 0.4208 0.0000 C 0 0 5.5417 1.6625 0.0000 C 0 0 5.5417 0.8333 0.0000 C 0 0 1.9792 -2.8792 0.0000 C 0 0 4.1042 3.3083 0.0000 C 0 0 2.6750 3.2958 0.0000 C 0 0 2.6667 4.1042 0.0000 C 0 0 4.1000 4.1292 0.0000 C 0 0 3.3792 4.5292 0.0000 C 0 0 2 5 2 0 3 1 2 0 4 3 1 0 5 8 1 0 6 1 1 0 7 4 2 0 8 15 1 0 9 6 1 0 10 3 1 0 11 2 1 0 12 7 1 0 13 4 1 0 14 2 1 0 15 20 1 0 16 9 1 0 17 9 2 0 18 11 2 0 19 7 1 0 20 13 2 0 21 14 1 0 22 5 1 0 23 24 1 0 24 22 1 0 25 10 1 0 26 21 2 0 27 21 1 0 28 27 2 0 29 26 1 0 30 28 1 0 16 10 1 0 15 12 2 0 23 11 1 0 30 29 2 0 M END > CHEMBL128783 > 1 $$$$ CHEMBL341160 SciTegic12291823182D 32 35 0 0 0 0 999 V2000 5.5917 -3.0667 0.0000 C 0 0 4.9292 -3.5542 0.0000 C 0 0 6.2667 -3.5542 0.0000 N 0 0 6.3000 1.4708 0.0000 C 0 0 6.0125 -4.3375 0.0000 N 0 0 5.1875 -4.3375 0.0000 C 0 0 6.3042 0.6458 0.0000 C 0 0 5.5917 -2.2417 0.0000 C 0 0 5.5917 0.2333 0.0000 N 0 0 6.3125 -1.8292 0.0000 C 0 0 7.0042 1.8833 0.0000 C 0 0 3.4167 4.7417 0.0000 N 0 0 5.5792 1.8750 0.0000 C 0 0 4.1375 4.3292 0.0000 C 0 0 4.8792 -1.8292 0.0000 C 0 0 5.5917 -0.5917 0.0000 C 0 0 6.3125 -1.0042 0.0000 C 0 0 4.7000 -5.0042 0.0000 O 0 0 7.0042 2.7083 0.0000 O 0 0 5.5750 2.7083 0.0000 C 0 0 4.8792 -1.0042 0.0000 C 0 0 4.8542 3.9250 0.0000 C 0 0 4.2167 -3.9625 0.0000 C 0 0 4.5167 -2.8375 0.0000 C 0 0 4.8625 3.1083 0.0000 C 0 0 7.0167 0.2333 0.0000 C 0 0 7.7292 1.4750 0.0000 C 0 0 7.0292 -2.2417 0.0000 C 0 0 7.7292 0.6458 0.0000 C 0 0 6.2875 3.9458 0.0000 C 0 0 6.2917 3.1208 0.0000 C 0 0 5.5667 4.3417 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 7 2 0 5 3 1 0 6 2 1 0 7 9 1 0 8 1 1 0 9 16 1 0 10 8 2 0 11 4 1 0 12 14 3 0 13 4 1 0 14 22 1 0 15 8 1 0 16 21 1 0 17 10 1 0 18 6 2 0 19 11 2 0 20 13 1 0 21 15 2 0 22 25 2 0 23 2 1 0 24 2 1 0 25 20 1 0 26 7 1 0 27 29 1 0 28 10 1 0 29 26 1 0 30 31 1 0 31 20 2 0 32 30 2 0 5 6 1 0 16 17 2 0 27 11 1 0 32 22 1 0 M END > CHEMBL341160 > 1 $$$$ CHEMBL128456 SciTegic12291823182D 29 32 0 0 1 0 999 V2000 7.2375 -4.3042 0.0000 N 0 0 7.2250 0.6375 0.0000 C 0 0 7.2292 -0.1792 0.0000 C 0 0 6.5167 -3.9000 0.0000 C 0 0 7.2375 -5.1292 0.0000 N 0 0 6.5167 -5.5500 0.0000 C 0 0 6.5167 -0.5917 0.0000 N 0 0 7.9292 1.0583 0.0000 C 0 0 5.8042 -4.3042 0.0000 C 0 0 1 0 0 0 6.5042 1.0458 0.0000 C 0 0 6.5167 -3.0750 0.0000 C 0 0 5.8042 -5.1292 0.0000 C 0 0 6.5250 -6.3750 0.0000 O 0 0 7.9292 1.8833 0.0000 O 0 0 6.5167 -1.4167 0.0000 C 0 0 5.8042 -2.6625 0.0000 C 0 0 7.2375 -2.6625 0.0000 C 0 0 6.5000 1.8708 0.0000 C 0 0 7.9417 -0.5917 0.0000 C 0 0 5.8042 -1.8375 0.0000 C 0 0 7.2375 -1.8292 0.0000 C 0 0 8.6542 0.6458 0.0000 C 0 0 8.6542 -0.1792 0.0000 C 0 0 5.0917 -3.8917 0.0000 C 0 0 7.2167 2.2875 0.0000 C 0 0 5.7875 2.2750 0.0000 C 0 0 5.7792 3.0958 0.0000 C 0 0 7.2125 3.1125 0.0000 C 0 0 6.4917 3.5208 0.0000 C 0 0 2 3 2 0 3 7 1 0 4 1 2 0 5 1 1 0 6 5 1 0 7 15 1 0 8 2 1 0 9 4 1 0 10 2 1 0 11 4 1 0 12 6 1 0 13 6 2 0 14 8 2 0 15 21 2 0 16 11 1 0 17 11 2 0 18 10 1 0 19 3 1 0 20 16 2 0 21 17 1 0 22 23 1 0 23 19 1 0 9 24 1 1 25 18 2 0 26 18 1 0 27 26 2 0 28 25 1 0 29 27 1 0 12 9 1 0 15 20 1 0 22 8 1 0 29 28 2 0 M END > CHEMBL128456 > 1 $$$$ CHEMBL341327 SciTegic12291823182D 23 25 0 0 1 0 999 V2000 5.5417 -8.2792 0.0000 N 0 0 5.5292 -3.3292 0.0000 C 0 0 5.5292 -4.1542 0.0000 C 0 0 4.8167 -7.8667 0.0000 C 0 0 5.5417 -9.1042 0.0000 N 0 0 4.8167 -9.5167 0.0000 C 0 0 4.8167 -4.5667 0.0000 N 0 0 4.1042 -8.2792 0.0000 C 0 0 1 0 0 0 6.2292 -2.9167 0.0000 C 0 0 4.8167 -7.0417 0.0000 C 0 0 4.1042 -9.1042 0.0000 C 0 0 4.8292 -10.3417 0.0000 O 0 0 6.2292 -2.0917 0.0000 O 0 0 4.8167 -5.3917 0.0000 C 0 0 5.5417 -6.6292 0.0000 C 0 0 4.1042 -6.6292 0.0000 C 0 0 6.2417 -4.5667 0.0000 C 0 0 5.5417 -5.8042 0.0000 C 0 0 4.1042 -5.8042 0.0000 C 0 0 4.8042 -2.9292 0.0000 C 0 0 6.9542 -3.3292 0.0000 C 0 0 6.9542 -4.1542 0.0000 C 0 0 3.3917 -7.8667 0.0000 C 0 0 2 3 2 0 3 7 1 0 4 1 2 0 5 1 1 0 6 5 1 0 7 14 1 0 8 4 1 0 9 2 1 0 10 4 1 0 11 6 1 0 12 6 2 0 13 9 2 0 14 19 1 0 15 10 2 0 16 10 1 0 17 3 1 0 18 15 1 0 19 16 2 0 20 2 1 0 21 22 1 0 22 17 1 0 8 23 1 1 11 8 1 0 14 18 2 0 21 9 1 0 M END > CHEMBL341327 > 1 $$$$ CHEMBL131111 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 5.9042 1.1458 0.0000 C 0 0 5.9167 -3.8042 0.0000 N 0 0 5.9167 0.3208 0.0000 C 0 0 5.2042 -3.3917 0.0000 C 0 0 5.9167 -4.6250 0.0000 N 0 0 5.1917 1.5500 0.0000 C 0 0 5.2042 -5.0417 0.0000 C 0 0 5.2000 -0.0917 0.0000 N 0 0 6.6167 1.5583 0.0000 C 0 0 4.4917 -3.8042 0.0000 C 0 0 5.1792 2.3750 0.0000 C 0 0 5.2042 -2.5667 0.0000 C 0 0 4.4917 -4.6292 0.0000 C 0 0 5.2042 -5.8667 0.0000 O 0 0 4.4667 2.7833 0.0000 C 0 0 6.6125 2.3833 0.0000 O 0 0 5.2042 -0.9167 0.0000 C 0 0 4.4917 -2.1542 0.0000 C 0 0 5.9167 -2.1542 0.0000 C 0 0 6.6292 -0.0917 0.0000 C 0 0 5.9167 -1.3292 0.0000 C 0 0 4.4917 -1.3292 0.0000 C 0 0 3.7542 2.3625 0.0000 O 0 0 7.3375 1.1500 0.0000 C 0 0 7.3417 0.3208 0.0000 C 0 0 3.7792 -3.3917 0.0000 C 0 0 5.9000 2.7958 0.0000 C 0 0 4.4625 3.5958 0.0000 C 0 0 3.7667 1.5375 0.0000 C 0 0 5.8917 3.6125 0.0000 C 0 0 5.1750 4.0167 0.0000 C 0 0 2 4 2 0 3 1 2 0 4 12 1 0 5 2 1 0 6 1 1 0 7 13 1 0 8 3 1 0 9 1 1 0 10 4 1 0 11 6 1 0 12 18 1 0 13 10 1 0 14 7 2 0 15 11 1 0 16 9 2 0 17 8 1 0 18 22 2 0 19 21 1 0 20 3 1 0 21 17 2 0 22 17 1 0 23 15 1 0 24 9 1 0 25 24 1 0 26 10 1 0 27 11 2 0 28 15 2 0 29 23 1 0 30 27 1 0 31 30 2 0 25 20 1 0 31 28 1 0 19 12 2 0 7 5 1 0 M END > CHEMBL131111 > 1 $$$$ CHEMBL131118 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 4.2042 -4.0792 0.0000 N 0 0 4.1917 0.8625 0.0000 C 0 0 3.4917 -3.6750 0.0000 C 0 0 4.2042 0.0458 0.0000 C 0 0 3.4917 -2.8500 0.0000 C 0 0 4.2042 -4.9042 0.0000 N 0 0 3.4875 -0.3667 0.0000 N 0 0 3.4917 -5.3250 0.0000 C 0 0 4.2042 -2.4375 0.0000 C 0 0 2.7792 -4.0792 0.0000 C 0 0 4.9042 1.2833 0.0000 C 0 0 2.7792 -2.4375 0.0000 C 0 0 3.4792 1.2708 0.0000 C 0 0 2.7792 -4.9042 0.0000 C 0 0 3.4917 -1.1917 0.0000 C 0 0 4.2042 -1.6042 0.0000 C 0 0 3.4917 -6.1500 0.0000 O 0 0 4.9000 2.1083 0.0000 O 0 0 2.7792 -1.6125 0.0000 C 0 0 3.4667 2.0958 0.0000 C 0 0 4.9167 -0.3667 0.0000 C 0 0 4.9250 -2.8500 0.0000 C 0 0 5.6250 0.8708 0.0000 C 0 0 5.6292 0.0458 0.0000 C 0 0 2.0667 -3.6667 0.0000 C 0 0 4.1875 2.5208 0.0000 C 0 0 2.7542 2.5000 0.0000 C 0 0 5.6375 -2.4292 0.0000 C 0 0 4.1792 3.3375 0.0000 C 0 0 2.7500 3.3208 0.0000 C 0 0 3.4625 3.7458 0.0000 C 0 0 2 4 2 0 3 1 2 0 4 7 1 0 5 3 1 0 6 1 1 0 7 15 1 0 8 6 1 0 9 5 2 0 10 3 1 0 11 2 1 0 12 5 1 0 13 2 1 0 14 8 1 0 15 19 1 0 16 9 1 0 17 8 2 0 18 11 2 0 19 12 2 0 20 13 1 0 21 4 1 0 22 9 1 0 23 24 1 0 24 21 1 0 25 10 1 0 26 20 2 0 27 20 1 0 28 22 1 0 29 26 1 0 30 27 2 0 31 30 1 0 14 10 1 0 15 16 2 0 23 11 1 0 31 29 2 0 M END > CHEMBL131118 > 1 $$$$ CHEMBL340118 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 3.4875 -3.6000 0.0000 C 0 0 2.8417 -4.1125 0.0000 C 0 0 4.1667 -4.0542 0.0000 N 0 0 4.2000 0.9500 0.0000 C 0 0 3.4875 -2.7667 0.0000 C 0 0 3.9500 -4.8417 0.0000 N 0 0 3.1375 -4.8792 0.0000 C 0 0 4.2000 0.1208 0.0000 C 0 0 3.4875 1.3625 0.0000 C 0 0 4.2042 -2.3542 0.0000 C 0 0 3.4875 -0.2917 0.0000 N 0 0 4.9125 1.3625 0.0000 C 0 0 4.2042 -1.5292 0.0000 C 0 0 2.7750 -2.3542 0.0000 C 0 0 3.4875 2.1875 0.0000 C 0 0 3.4875 -1.1167 0.0000 C 0 0 2.6917 -5.5792 0.0000 O 0 0 2.7750 2.5958 0.0000 C 0 0 4.9167 2.0583 0.0000 O 0 0 4.9250 -2.7792 0.0000 Cl 0 0 2.7750 -1.5292 0.0000 C 0 0 2.1292 -4.5292 0.0000 C 0 0 2.4250 -3.3917 0.0000 C 0 0 2.0625 2.1833 0.0000 Cl 0 0 4.9125 -0.2917 0.0000 C 0 0 5.6292 0.9500 0.0000 C 0 0 5.6292 0.1208 0.0000 C 0 0 4.2042 2.5958 0.0000 C 0 0 2.7750 3.4208 0.0000 C 0 0 4.2042 3.4208 0.0000 C 0 0 3.4917 3.8333 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 11 1 0 9 4 1 0 10 5 2 0 11 16 1 0 12 4 1 0 13 10 1 0 14 5 1 0 15 9 1 0 16 21 1 0 17 7 2 0 18 15 1 0 19 12 2 0 20 10 1 0 21 14 2 0 22 2 1 0 23 2 1 0 24 18 1 0 25 8 1 0 26 27 1 0 27 25 1 0 28 15 2 0 29 18 2 0 30 28 1 0 31 30 2 0 6 7 1 0 16 13 2 0 26 12 1 0 31 29 1 0 M END > CHEMBL340118 > 1 $$$$ CHEMBL34431 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 3.9917 -4.2417 0.0000 N 0 0 4.7042 -3.8292 0.0000 C 0 0 3.2750 -3.8250 0.0000 C 0 0 3.2792 -3.0000 0.0000 C 0 0 5.4125 -1.7292 0.0000 N 0 0 4.7000 -2.1500 0.0000 C 0 0 3.9917 -2.5792 0.0000 C 0 0 4.7042 -2.9750 0.0000 C 0 0 2.5625 -2.5875 0.0000 C 0 0 5.1042 -2.8625 0.0000 O 0 0 5.4167 -4.2417 0.0000 O 0 0 2.5625 -4.2417 0.0000 C 0 0 6.1292 -2.1375 0.0000 C 0 0 1.8500 -3.0000 0.0000 C 0 0 1.8500 -3.8292 0.0000 C 0 0 1.8417 -2.1667 0.0000 O 0 0 3.9792 -1.7417 0.0000 C 0 0 5.4042 -0.9042 0.0000 C 0 0 6.8375 -1.7167 0.0000 C 0 0 6.1292 -2.9625 0.0000 C 0 0 2.5542 -1.7542 0.0000 C 0 0 3.2667 -2.1625 0.0000 C 0 0 6.8417 -3.3667 0.0000 C 0 0 7.5542 -2.1250 0.0000 C 0 0 7.5542 -2.9542 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 2 0 5 6 1 0 6 17 1 0 7 4 1 0 8 2 1 0 9 4 1 0 10 6 2 0 11 2 1 0 12 3 1 0 13 5 1 0 14 15 1 0 15 12 2 0 16 14 1 0 17 22 1 0 18 5 1 0 19 13 1 0 20 13 1 0 21 16 1 0 22 21 1 0 23 20 1 0 24 19 1 0 25 23 1 0 8 7 2 0 9 14 2 0 24 25 1 0 M END > CHEMBL34431 > 1 $$$$ CHEMBL128621 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 5.9542 -4.3667 0.0000 N 0 0 5.9417 0.5833 0.0000 C 0 0 5.9500 -0.2417 0.0000 C 0 0 5.2375 -3.9542 0.0000 C 0 0 5.9542 -5.1875 0.0000 N 0 0 5.2375 -5.6042 0.0000 C 0 0 5.2292 -0.6542 0.0000 N 0 0 6.6500 0.9958 0.0000 C 0 0 4.5250 -4.3667 0.0000 C 0 0 5.2250 0.9875 0.0000 C 0 0 5.2375 -3.1292 0.0000 C 0 0 4.5250 -5.1917 0.0000 C 0 0 5.2417 -6.4292 0.0000 O 0 0 6.6417 1.8208 0.0000 O 0 0 5.2167 1.8125 0.0000 C 0 0 5.2375 -1.4792 0.0000 C 0 0 5.9542 -2.7167 0.0000 C 0 0 4.5250 -2.7167 0.0000 C 0 0 4.5042 2.2208 0.0000 C 0 0 4.4917 3.0333 0.0000 C 0 0 6.6625 -0.6542 0.0000 C 0 0 4.5250 -1.8917 0.0000 C 0 0 5.9542 -1.8917 0.0000 C 0 0 3.7750 3.4333 0.0000 Br 0 0 7.3667 0.5875 0.0000 C 0 0 7.3750 -0.2417 0.0000 C 0 0 3.8125 -3.9542 0.0000 C 0 0 5.9292 3.0500 0.0000 C 0 0 5.9292 2.2333 0.0000 C 0 0 5.2042 3.4583 0.0000 C 0 0 2 3 2 0 3 7 1 0 4 1 2 0 5 1 1 0 6 5 1 0 7 16 1 0 8 2 1 0 9 4 1 0 10 2 1 0 11 4 1 0 12 6 1 0 13 6 2 0 14 8 2 0 15 10 1 0 16 22 1 0 17 11 2 0 18 11 1 0 19 15 1 0 20 19 2 0 21 3 1 0 22 18 2 0 23 17 1 0 24 20 1 0 25 26 1 0 26 21 1 0 27 9 1 0 28 29 1 0 29 15 2 0 30 28 2 0 12 9 1 0 16 23 2 0 25 8 1 0 30 20 1 0 M END > CHEMBL128621 > 1 $$$$ CHEMBL338179 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 4.0625 -5.0042 0.0000 N 0 0 4.0500 -0.0625 0.0000 C 0 0 3.3417 -4.6000 0.0000 C 0 0 3.3417 -3.7750 0.0000 C 0 0 4.0542 -0.8792 0.0000 C 0 0 4.0625 -5.8292 0.0000 N 0 0 4.0625 -3.3625 0.0000 C 0 0 3.3417 -1.2917 0.0000 N 0 0 3.3417 -6.2500 0.0000 C 0 0 2.6292 -5.0042 0.0000 C 0 0 4.7542 0.3583 0.0000 C 0 0 4.0625 -2.5292 0.0000 C 0 0 2.6292 -3.3625 0.0000 C 0 0 3.3292 0.3458 0.0000 C 0 0 3.3417 -2.1167 0.0000 C 0 0 2.6292 -5.8292 0.0000 C 0 0 3.3500 -7.0750 0.0000 O 0 0 4.7542 1.1833 0.0000 O 0 0 4.7792 -3.7750 0.0000 F 0 0 2.6292 -2.5375 0.0000 C 0 0 3.3250 1.1708 0.0000 C 0 0 4.7667 -1.2917 0.0000 C 0 0 5.4792 -0.0542 0.0000 C 0 0 5.4792 -0.8792 0.0000 C 0 0 1.9167 -4.5917 0.0000 C 0 0 4.0417 1.5875 0.0000 C 0 0 2.6125 1.5750 0.0000 C 0 0 2.6042 2.3958 0.0000 C 0 0 4.0375 2.4125 0.0000 C 0 0 3.3167 2.8208 0.0000 C 0 0 2 5 2 0 3 1 2 0 4 3 1 0 5 8 1 0 6 1 1 0 7 4 2 0 8 15 1 0 9 6 1 0 10 3 1 0 11 2 1 0 12 7 1 0 13 4 1 0 14 2 1 0 15 20 1 0 16 9 1 0 17 9 2 0 18 11 2 0 19 7 1 0 20 13 2 0 21 14 1 0 22 5 1 0 23 24 1 0 24 22 1 0 25 10 1 0 26 21 2 0 27 21 1 0 28 27 2 0 29 26 1 0 30 28 1 0 16 10 1 0 15 12 2 0 23 11 1 0 30 29 2 0 M END > CHEMBL338179 > 1 $$$$ CHEMBL189 SciTegic12291823182D 16 17 0 0 0 0 999 V2000 -0.3208 -2.4042 0.0000 C 0 0 0.2917 -2.0500 0.0000 C 0 0 0.9042 -2.4042 0.0000 C 0 0 -0.3208 -3.1125 0.0000 C 0 0 0.2917 -3.4667 0.0000 N 0 0 0.9042 -3.1125 0.0000 C 0 0 -0.9333 -2.0500 0.0000 C 0 0 -1.5500 -1.6917 0.0000 N 0 0 -0.9333 -3.4625 0.0000 O 0 0 1.5167 -2.0500 0.0000 C 0 0 2.7417 -1.3417 0.0000 N 0 0 1.5167 -3.4625 0.0000 C 0 0 2.7417 -2.0500 0.0000 C 0 0 2.1292 -0.9875 0.0000 C 0 0 2.1292 -2.4042 0.0000 C 0 0 1.5167 -1.3417 0.0000 C 0 0 2 1 2 0 3 2 1 0 4 1 1 0 5 4 1 0 6 5 1 0 7 1 1 0 8 7 3 0 9 4 2 0 10 3 1 0 11 13 2 0 12 6 1 0 13 15 1 0 14 16 2 0 15 10 2 0 16 10 1 0 6 3 2 0 11 14 1 0 M END > CHEMBL189 > 1 $$$$ CHEMBL130081 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 4.5042 -2.9375 0.0000 C 0 0 3.8417 -3.4167 0.0000 C 0 0 5.1792 -3.4167 0.0000 N 0 0 5.2125 1.6000 0.0000 C 0 0 4.5042 -2.1125 0.0000 C 0 0 4.9250 -4.2042 0.0000 N 0 0 4.1000 -4.2042 0.0000 C 0 0 5.2167 0.7833 0.0000 C 0 0 4.4917 2.0083 0.0000 C 0 0 5.2250 -1.7000 0.0000 C 0 0 4.5042 0.3708 0.0000 N 0 0 5.9167 2.0208 0.0000 C 0 0 5.2250 -0.8667 0.0000 C 0 0 3.7917 -1.7000 0.0000 C 0 0 4.4875 2.8333 0.0000 C 0 0 4.5042 -0.4542 0.0000 C 0 0 3.6125 -4.8667 0.0000 O 0 0 3.7750 3.2375 0.0000 C 0 0 5.9167 2.8458 0.0000 O 0 0 5.9417 -2.1125 0.0000 F 0 0 3.7917 -0.8750 0.0000 C 0 0 3.4292 -2.7042 0.0000 C 0 0 3.1292 -3.8292 0.0000 C 0 0 3.0667 2.8208 0.0000 Cl 0 0 5.9292 0.3708 0.0000 C 0 0 6.6417 1.6083 0.0000 C 0 0 6.6417 0.7833 0.0000 C 0 0 5.2042 3.2500 0.0000 C 0 0 3.7667 4.0542 0.0000 C 0 0 5.2000 4.0750 0.0000 C 0 0 4.4792 4.4792 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 11 1 0 9 4 1 0 10 5 2 0 11 16 1 0 12 4 1 0 13 10 1 0 14 5 1 0 15 9 1 0 16 21 1 0 17 7 2 0 18 15 1 0 19 12 2 0 20 10 1 0 21 14 2 0 22 2 1 0 23 2 1 0 24 18 1 0 25 8 1 0 26 27 1 0 27 25 1 0 28 15 2 0 29 18 2 0 30 28 1 0 31 30 2 0 6 7 1 0 16 13 2 0 26 12 1 0 31 29 1 0 M END > CHEMBL130081 > 1 $$$$ CHEMBL130026 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 4.5292 -3.3167 0.0000 N 0 0 4.5167 1.6250 0.0000 C 0 0 3.8125 -2.0875 0.0000 C 0 0 3.8125 -2.9125 0.0000 C 0 0 4.5250 0.8083 0.0000 C 0 0 4.5292 -4.1417 0.0000 N 0 0 3.8042 0.3958 0.0000 N 0 0 3.8125 -0.4292 0.0000 C 0 0 4.5292 -1.6750 0.0000 C 0 0 3.1000 -1.6750 0.0000 C 0 0 4.5292 -0.8417 0.0000 C 0 0 3.8125 -4.5625 0.0000 C 0 0 3.1000 -3.3167 0.0000 C 0 0 3.1000 -0.8500 0.0000 C 0 0 5.2250 2.0458 0.0000 C 0 0 3.8000 2.0333 0.0000 C 0 0 3.1000 -4.1417 0.0000 C 0 0 3.8167 -5.3875 0.0000 O 0 0 5.2167 2.8708 0.0000 O 0 0 5.2417 -2.0875 0.0000 F 0 0 2.3792 -0.4375 0.0000 F 0 0 5.2375 0.3958 0.0000 C 0 0 3.7917 2.8583 0.0000 C 0 0 5.9417 1.6333 0.0000 C 0 0 5.9500 0.8083 0.0000 C 0 0 2.3792 -2.9042 0.0000 C 0 0 3.0792 3.2708 0.0000 C 0 0 4.5042 3.2750 0.0000 C 0 0 4.5042 4.0917 0.0000 C 0 0 3.0667 4.0792 0.0000 C 0 0 3.7792 4.5042 0.0000 C 0 0 2 5 2 0 3 4 1 0 4 1 2 0 5 7 1 0 6 1 1 0 7 8 1 0 8 14 1 0 9 3 2 0 10 3 1 0 11 9 1 0 12 6 1 0 13 4 1 0 14 10 2 0 15 2 1 0 16 2 1 0 17 12 1 0 18 12 2 0 19 15 2 0 20 9 1 0 21 14 1 0 22 5 1 0 23 16 1 0 24 25 1 0 25 22 1 0 26 13 1 0 27 23 1 0 28 23 2 0 29 28 1 0 30 27 2 0 31 29 2 0 17 13 1 0 8 11 2 0 24 15 1 0 31 30 1 0 M END > CHEMBL130026 > 1 $$$$ CHEMBL129691 SciTegic12291823182D 20 21 0 0 1 0 999 V2000 6.2667 -3.3250 0.0000 N 0 0 5.5500 -2.9167 0.0000 C 0 0 6.2667 -4.1417 0.0000 N 0 0 6.2625 0.8000 0.0000 C 0 0 5.5500 -4.5625 0.0000 C 0 0 4.8375 -3.3250 0.0000 C 0 0 1 0 0 0 5.5417 0.3875 0.0000 N 0 0 5.5500 -2.0917 0.0000 C 0 0 4.8375 -4.1500 0.0000 C 0 0 6.2542 1.6208 0.0000 O 0 0 5.5542 -5.3875 0.0000 O 0 0 4.8375 -1.6792 0.0000 C 0 0 6.2667 -1.6792 0.0000 C 0 0 5.5500 -0.4375 0.0000 C 0 0 6.9750 0.3958 0.0000 O 0 0 4.8375 -0.8500 0.0000 C 0 0 6.2667 -0.8500 0.0000 C 0 0 4.1250 -2.9125 0.0000 C 0 0 7.6917 0.8083 0.0000 C 0 0 8.4042 0.3958 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 7 1 0 5 3 1 0 6 2 1 0 7 14 1 0 8 2 1 0 9 5 1 0 10 4 2 0 11 5 2 0 12 8 1 0 13 8 2 0 14 17 2 0 15 4 1 0 16 12 2 0 17 13 1 0 6 18 1 1 19 15 1 0 20 19 1 0 9 6 1 0 14 16 1 0 M END > CHEMBL129691 > 1 $$$$ CHEMBL129668 SciTegic12291823182D 32 35 0 0 0 0 999 V2000 4.0542 -4.8417 0.0000 C 0 0 3.4125 -5.3542 0.0000 C 0 0 4.7375 -5.2917 0.0000 N 0 0 4.7667 -0.2917 0.0000 C 0 0 4.0542 -4.0042 0.0000 C 0 0 4.5167 -6.0875 0.0000 N 0 0 3.7042 -6.1250 0.0000 C 0 0 4.7667 -1.1167 0.0000 C 0 0 4.0542 0.1208 0.0000 C 0 0 4.0542 0.9458 0.0000 C 0 0 4.7667 -3.6000 0.0000 C 0 0 4.0542 -1.5292 0.0000 N 0 0 5.4792 0.1208 0.0000 C 0 0 4.7667 -2.7667 0.0000 C 0 0 3.3417 -3.6000 0.0000 C 0 0 4.0542 -2.3542 0.0000 C 0 0 4.7667 1.3583 0.0000 C 0 0 3.3417 1.3583 0.0000 C 0 0 3.2542 -6.8250 0.0000 O 0 0 5.5000 0.7583 0.0000 O 0 0 5.4917 -4.0167 0.0000 F 0 0 3.3417 -2.7750 0.0000 C 0 0 2.9917 -4.6375 0.0000 C 0 0 2.7000 -5.7667 0.0000 C 0 0 2.6292 0.9458 0.0000 Cl 0 0 5.5917 1.3583 0.0000 Cl 0 0 5.4792 -1.5292 0.0000 C 0 0 6.1917 -0.2917 0.0000 C 0 0 6.1917 -1.1167 0.0000 C 0 0 4.0542 2.5958 0.0000 C 0 0 3.3417 2.1833 0.0000 C 0 0 4.7750 2.1833 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 12 1 0 9 4 1 0 10 9 1 0 11 5 2 0 12 16 1 0 13 4 1 0 14 11 1 0 15 5 1 0 16 22 1 0 17 10 2 0 18 10 1 0 19 7 2 0 20 13 2 0 21 11 1 0 22 15 2 0 23 2 1 0 24 2 1 0 25 18 1 0 26 17 1 0 27 8 1 0 28 29 1 0 29 27 1 0 30 31 1 0 31 18 2 0 32 17 1 0 6 7 1 0 16 14 2 0 28 13 1 0 30 32 2 0 M END > CHEMBL129668 > 1 $$$$ CHEMBL128877 SciTegic12291823182D 32 35 0 0 0 0 999 V2000 3.3000 -4.1125 0.0000 C 0 0 2.6375 -4.5917 0.0000 C 0 0 3.9667 -4.5917 0.0000 N 0 0 4.0042 0.4250 0.0000 C 0 0 3.3000 -3.2875 0.0000 C 0 0 3.7167 -5.3792 0.0000 N 0 0 2.8917 -5.3792 0.0000 C 0 0 4.0125 -0.3917 0.0000 C 0 0 4.0167 -2.8750 0.0000 C 0 0 3.2917 -0.8042 0.0000 N 0 0 4.7125 0.8458 0.0000 C 0 0 1.1250 3.7083 0.0000 N 0 0 4.0167 -2.0417 0.0000 C 0 0 2.5875 -2.8750 0.0000 C 0 0 3.2875 0.8333 0.0000 C 0 0 1.8417 3.2958 0.0000 C 0 0 3.3000 -1.6292 0.0000 C 0 0 2.4042 -6.0417 0.0000 O 0 0 4.7042 1.6708 0.0000 O 0 0 3.2792 1.6583 0.0000 C 0 0 4.7292 -3.2875 0.0000 F 0 0 2.5875 -2.0500 0.0000 C 0 0 2.5542 2.8833 0.0000 C 0 0 2.2167 -3.8792 0.0000 C 0 0 1.9167 -5.0042 0.0000 C 0 0 2.5667 2.0625 0.0000 C 0 0 4.7250 -0.8042 0.0000 C 0 0 5.4292 0.4333 0.0000 C 0 0 5.4375 -0.3917 0.0000 C 0 0 3.9917 2.9000 0.0000 C 0 0 3.9917 2.0833 0.0000 C 0 0 3.2667 3.3083 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 8 2 0 5 1 1 0 6 3 1 0 7 2 1 0 8 10 1 0 9 5 2 0 10 17 1 0 11 4 1 0 12 16 3 0 13 9 1 0 14 5 1 0 15 4 1 0 16 23 1 0 17 22 1 0 18 7 2 0 19 11 2 0 20 15 1 0 21 9 1 0 22 14 2 0 23 26 2 0 24 2 1 0 25 2 1 0 26 20 1 0 27 8 1 0 28 29 1 0 29 27 1 0 30 31 1 0 31 20 2 0 32 30 2 0 6 7 1 0 17 13 2 0 28 11 1 0 32 23 1 0 M END > CHEMBL128877 > 1 $$$$ CHEMBL129283 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 3.1417 -2.8292 0.0000 C 0 0 2.5042 -3.3417 0.0000 C 0 0 3.8292 -3.2875 0.0000 N 0 0 3.1417 -2.0042 0.0000 C 0 0 3.8542 1.7208 0.0000 C 0 0 3.8542 0.8875 0.0000 C 0 0 3.8625 -1.5917 0.0000 C 0 0 3.6042 -4.0792 0.0000 N 0 0 2.7917 -4.1167 0.0000 C 0 0 3.8625 -0.7625 0.0000 C 0 0 3.1417 0.4750 0.0000 N 0 0 3.1417 -0.3500 0.0000 C 0 0 4.5667 2.1333 0.0000 C 0 0 1.0042 5.0042 0.0000 N 0 0 2.4292 -1.5917 0.0000 C 0 0 3.1417 2.1333 0.0000 C 0 0 1.7167 4.5917 0.0000 C 0 0 2.4292 -0.7625 0.0000 C 0 0 2.3500 -4.8167 0.0000 O 0 0 4.5750 2.8333 0.0000 O 0 0 3.1417 2.9583 0.0000 C 0 0 4.5750 -0.3417 0.0000 F 0 0 4.5792 -2.0125 0.0000 F 0 0 2.4292 4.1875 0.0000 C 0 0 2.0792 -2.6292 0.0000 C 0 0 1.7917 -3.7625 0.0000 C 0 0 2.4292 3.3625 0.0000 C 0 0 4.5667 0.4750 0.0000 C 0 0 5.2875 1.7208 0.0000 C 0 0 5.2875 0.8875 0.0000 C 0 0 3.8667 4.1875 0.0000 C 0 0 3.8625 3.3625 0.0000 C 0 0 3.1500 4.5917 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 1 1 0 5 6 1 0 6 11 2 0 7 4 2 0 8 3 1 0 9 2 1 0 10 7 1 0 11 12 1 0 12 18 1 0 13 5 2 0 14 17 3 0 15 4 1 0 16 5 1 0 17 24 1 0 18 15 2 0 19 9 2 0 20 13 1 0 21 16 1 0 22 10 1 0 23 7 1 0 24 27 2 0 25 2 1 0 26 2 1 0 27 21 1 0 28 6 1 0 29 30 1 0 30 28 1 0 31 32 1 0 32 21 2 0 33 31 2 0 8 9 1 0 12 10 2 0 29 13 1 0 33 24 1 0 M END > CHEMBL129283 > 1 $$$$ CHEMBL128017 SciTegic12291823182D 27 29 0 0 1 0 999 V2000 3.8417 -3.9542 0.0000 N 0 0 3.8292 0.1833 0.0000 C 0 0 5.2667 1.0208 0.0000 C 0 0 3.1292 -3.5417 0.0000 C 0 0 3.8417 -4.7792 0.0000 N 0 0 5.2667 0.1958 0.0000 C 0 0 4.5500 -0.2167 0.0000 C 0 0 3.1292 -5.1917 0.0000 C 0 0 3.1167 -0.2292 0.0000 N 0 0 2.4125 -3.9542 0.0000 C 0 0 1 0 0 0 3.1292 -2.7125 0.0000 C 0 0 2.4125 -4.7792 0.0000 C 0 0 3.8167 1.0125 0.0000 O 0 0 3.1292 -6.0167 0.0000 O 0 0 5.2667 1.8458 0.0000 F 0 0 6.0917 1.0208 0.0000 F 0 0 4.4417 1.0208 0.0000 F 0 0 3.1292 -1.0542 0.0000 C 0 0 3.8417 -2.3000 0.0000 C 0 0 2.4167 -2.3000 0.0000 C 0 0 3.8417 -1.4667 0.0000 C 0 0 2.4167 -1.4667 0.0000 C 0 0 5.9875 -0.2125 0.0000 C 0 0 4.5542 -1.0500 0.0000 C 0 0 1.6917 -3.5417 0.0000 C 0 0 5.2667 -1.4625 0.0000 C 0 0 5.9917 -1.0417 0.0000 C 0 0 2 9 1 0 3 6 1 0 4 1 2 0 5 1 1 0 6 7 1 0 7 2 1 0 8 5 1 0 9 18 1 0 10 4 1 0 11 4 1 0 12 8 1 0 13 2 2 0 14 8 2 0 15 3 1 0 16 3 1 0 17 3 1 0 18 22 1 0 19 11 2 0 20 11 1 0 21 19 1 0 22 20 2 0 23 6 2 0 24 7 2 0 10 25 1 1 26 24 1 0 27 26 2 0 12 10 1 0 18 21 2 0 27 23 1 0 M END > CHEMBL128017 > 1 $$$$ CHEMBL273816 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 3.3375 -4.9042 0.0000 C 0 0 2.6917 -5.4167 0.0000 C 0 0 4.0167 -5.3542 0.0000 N 0 0 4.0500 -0.3542 0.0000 C 0 0 1.9042 2.5250 0.0000 N 0 3 3.3375 -4.0667 0.0000 C 0 0 3.8000 -6.1500 0.0000 N 0 0 2.9875 -6.1875 0.0000 C 0 0 4.0500 -1.1792 0.0000 C 0 0 4.0542 -3.6625 0.0000 C 0 0 3.3375 -1.5917 0.0000 N 0 0 2.6250 2.1208 0.0000 C 0 0 4.7625 0.0583 0.0000 C 0 0 4.0542 -2.8292 0.0000 C 0 0 2.6250 -3.6625 0.0000 C 0 0 3.3375 0.0583 0.0000 C 0 0 1.9042 3.3583 0.0000 O 0 5 3.3375 -2.4167 0.0000 C 0 0 1.1917 2.1125 0.0000 O 0 0 2.6250 1.2958 0.0000 C 0 0 2.5417 -6.8875 0.0000 O 0 0 3.3375 0.8833 0.0000 C 0 0 4.7667 0.7583 0.0000 O 0 0 4.7750 -4.0792 0.0000 Cl 0 0 2.6250 -2.8375 0.0000 C 0 0 1.9792 -5.8292 0.0000 C 0 0 2.2750 -4.7000 0.0000 C 0 0 4.7625 -1.5917 0.0000 C 0 0 3.3417 2.5333 0.0000 C 0 0 5.4792 -0.3542 0.0000 C 0 0 5.4792 -1.1792 0.0000 C 0 0 4.0542 2.1208 0.0000 C 0 0 4.0542 1.2958 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 9 2 0 5 12 1 0 6 1 1 0 7 3 1 0 8 2 1 0 9 11 1 0 10 6 2 0 11 18 1 0 12 20 2 0 13 4 1 0 14 10 1 0 15 6 1 0 16 4 1 0 17 5 1 0 18 25 1 0 19 5 2 0 20 22 1 0 21 8 2 0 22 16 1 0 23 13 2 0 24 10 1 0 25 15 2 0 26 2 1 0 27 2 1 0 28 9 1 0 29 32 2 0 30 31 1 0 31 28 1 0 32 33 1 0 33 22 2 0 7 8 1 0 18 14 2 0 30 13 1 0 29 12 1 0 M CHG 2 5 1 17 -1 M END > CHEMBL273816 > 1 $$$$ CHEMBL338860 SciTegic12291823182D 38 42 0 0 1 0 999 V2000 7.9500 0.4333 0.0000 C 0 0 7.9625 -4.5042 0.0000 N 0 0 3.6542 2.0458 0.0000 N 0 3 7.9542 -0.3875 0.0000 C 0 0 7.2417 -4.1042 0.0000 C 0 0 7.2292 0.8458 0.0000 C 0 0 7.9625 -5.3292 0.0000 N 0 0 7.2250 1.6708 0.0000 C 0 0 7.2417 -5.7500 0.0000 C 0 0 4.3792 1.6458 0.0000 C 0 0 7.2417 -0.8000 0.0000 N 0 0 5.8042 1.6500 0.0000 C 0 0 8.6542 0.8500 0.0000 C 0 0 6.5125 2.0708 0.0000 C 0 0 6.5292 -4.5042 0.0000 C 0 0 1 0 0 0 5.0875 2.0583 0.0000 C 0 0 3.6500 2.8708 0.0000 O 0 5 7.2417 -3.2792 0.0000 C 0 0 2.9417 1.6333 0.0000 O 0 0 6.5292 -5.3375 0.0000 C 0 0 7.2500 -6.5750 0.0000 O 0 0 8.6542 1.6750 0.0000 O 0 0 7.2417 -1.6250 0.0000 C 0 0 7.9625 -2.8667 0.0000 C 0 0 6.5292 -2.8667 0.0000 C 0 0 8.6667 -0.8000 0.0000 C 0 0 6.5292 -2.0375 0.0000 C 0 0 7.9625 -2.0375 0.0000 C 0 0 5.8167 0.8333 0.0000 C 0 0 4.3792 0.8208 0.0000 C 0 0 9.3792 0.4458 0.0000 C 0 0 7.9417 2.0833 0.0000 C 0 0 9.3792 -0.3875 0.0000 C 0 0 5.8167 -4.1000 0.0000 C 0 0 5.1042 0.4083 0.0000 C 0 0 6.5042 2.8958 0.0000 C 0 0 7.9375 2.9083 0.0000 C 0 0 7.2167 3.3208 0.0000 C 0 0 2 5 2 0 3 10 1 0 4 1 2 0 5 18 1 0 6 1 1 0 7 2 1 0 8 6 1 0 9 20 1 0 10 16 1 0 11 4 1 0 12 14 1 0 13 1 1 0 14 8 1 0 15 5 1 0 16 12 2 0 17 3 1 0 18 24 2 0 19 3 2 0 20 15 1 0 21 9 2 0 22 13 2 0 23 11 1 0 24 28 1 0 25 27 2 0 26 4 1 0 27 23 1 0 28 23 2 0 29 12 1 0 30 35 1 0 31 13 1 0 32 8 2 0 33 31 1 0 15 34 1 1 35 29 2 0 36 14 2 0 37 32 1 0 38 37 2 0 33 26 1 0 38 36 1 0 18 25 1 0 30 10 2 0 9 7 1 0 M CHG 2 3 1 17 -1 M END > CHEMBL338860 > 1 $$$$ CHEMBL340785 SciTegic12291823182D 18 19 0 0 1 0 999 V2000 3.9875 -1.7292 0.0000 N 0 0 3.2667 -1.3250 0.0000 C 0 0 3.9875 -2.5542 0.0000 N 0 0 3.2667 -2.9750 0.0000 C 0 0 2.5542 -1.7292 0.0000 C 0 0 1 0 0 0 3.2667 -0.5000 0.0000 C 0 0 3.9792 2.3958 0.0000 C 0 0 2.5542 -2.5542 0.0000 C 0 0 3.2667 1.9833 0.0000 N 0 0 3.2750 -3.8000 0.0000 O 0 0 3.9792 3.2125 0.0000 O 0 0 2.5542 -0.0875 0.0000 C 0 0 3.9875 -0.0875 0.0000 C 0 0 3.2667 1.1583 0.0000 C 0 0 3.9875 0.7458 0.0000 C 0 0 2.5542 0.7375 0.0000 C 0 0 1.8417 -1.3167 0.0000 C 0 0 4.6917 1.9833 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 2 1 0 7 9 1 0 8 4 1 0 9 14 1 0 10 4 2 0 11 7 2 0 12 6 1 0 13 6 2 0 14 15 2 0 15 13 1 0 16 12 2 0 5 17 1 1 18 7 1 0 8 5 1 0 16 14 1 0 M END > CHEMBL340785 > 1 $$$$ CHEMBL131939 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 4.0542 -2.5250 0.0000 N 0 0 4.0417 2.4208 0.0000 C 0 0 4.0500 1.6000 0.0000 C 0 0 3.3375 -2.1167 0.0000 C 0 0 4.0542 -3.3417 0.0000 N 0 0 3.3292 1.1875 0.0000 N 0 0 3.3375 -1.2917 0.0000 C 0 0 3.3375 -3.7625 0.0000 C 0 0 3.3375 0.3625 0.0000 C 0 0 4.7500 2.8375 0.0000 C 0 0 2.6250 -2.5250 0.0000 C 0 0 4.0542 -0.8792 0.0000 C 0 0 4.0542 -0.0500 0.0000 C 0 0 3.3250 2.8333 0.0000 C 0 0 2.6250 -3.3500 0.0000 C 0 0 2.6250 -0.8792 0.0000 C 0 0 3.3417 -4.5875 0.0000 O 0 0 2.6250 -0.0500 0.0000 C 0 0 4.7417 3.6708 0.0000 O 0 0 4.7625 1.1875 0.0000 C 0 0 3.3167 3.6583 0.0000 C 0 0 5.4667 2.4333 0.0000 C 0 0 5.4750 1.6000 0.0000 C 0 0 1.9125 -2.1125 0.0000 C 0 0 4.7667 0.3708 0.0000 C 0 0 4.0292 4.0667 0.0000 C 0 0 2.6042 4.0542 0.0000 C 0 0 2.5917 4.8792 0.0000 C 0 0 4.0292 4.8917 0.0000 C 0 0 3.3042 5.3042 0.0000 C 0 0 2 3 1 0 3 6 2 0 4 1 2 0 5 1 1 0 6 9 1 0 7 4 1 0 8 5 1 0 9 18 1 0 10 2 2 0 11 4 1 0 12 7 2 0 13 12 1 0 14 2 1 0 15 8 1 0 16 7 1 0 17 8 2 0 18 16 2 0 19 10 1 0 20 3 1 0 21 14 1 0 22 23 1 0 23 20 1 0 24 11 1 0 25 13 1 0 26 21 2 0 27 21 1 0 28 27 2 0 29 26 1 0 30 28 1 0 15 11 1 0 9 13 2 0 22 10 1 0 30 29 2 0 M END > CHEMBL131939 > 1 $$$$ CHEMBL128391 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 4.0625 -5.0042 0.0000 N 0 0 4.0500 -0.0625 0.0000 C 0 0 4.0542 -0.8792 0.0000 C 0 0 3.3417 -4.6000 0.0000 C 0 0 4.0625 -5.8292 0.0000 N 0 0 3.3417 -1.2917 0.0000 N 0 0 3.3417 -3.7750 0.0000 C 0 0 3.3417 -6.2500 0.0000 C 0 0 3.3417 -2.1167 0.0000 C 0 0 4.7542 0.3583 0.0000 C 0 0 2.6292 -5.0042 0.0000 C 0 0 4.0625 -2.5292 0.0000 C 0 0 4.0625 -3.3625 0.0000 C 0 0 3.3292 0.3458 0.0000 C 0 0 2.6292 -5.8292 0.0000 C 0 0 2.6292 -3.3625 0.0000 C 0 0 3.3500 -7.0750 0.0000 O 0 0 2.6292 -2.5375 0.0000 C 0 0 4.7542 1.1833 0.0000 O 0 0 4.7750 -2.1167 0.0000 F 0 0 4.7667 -1.2917 0.0000 C 0 0 3.3250 1.1708 0.0000 C 0 0 5.4792 -0.0542 0.0000 C 0 0 5.4792 -0.8792 0.0000 C 0 0 1.9167 -4.5917 0.0000 C 0 0 4.0417 1.5875 0.0000 C 0 0 2.6125 1.5750 0.0000 C 0 0 2.6042 2.3958 0.0000 C 0 0 4.0375 2.4125 0.0000 C 0 0 3.3167 2.8208 0.0000 C 0 0 2 3 1 0 3 6 2 0 4 1 2 0 5 1 1 0 6 9 1 0 7 4 1 0 8 5 1 0 9 18 1 0 10 2 2 0 11 4 1 0 12 13 1 0 13 7 2 0 14 2 1 0 15 8 1 0 16 7 1 0 17 8 2 0 18 16 2 0 19 10 1 0 20 12 1 0 21 3 1 0 22 14 1 0 23 24 1 0 24 21 1 0 25 11 1 0 26 22 2 0 27 22 1 0 28 27 2 0 29 26 1 0 30 28 1 0 15 11 1 0 9 12 2 0 23 10 1 0 30 29 2 0 M END > CHEMBL128391 > 1 $$$$ CHEMBL129600 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 4.8125 -3.5917 0.0000 C 0 0 4.1500 -4.0792 0.0000 C 0 0 5.4792 -4.0792 0.0000 N 0 0 5.5167 0.9458 0.0000 C 0 0 3.3500 3.8083 0.0000 N 0 3 4.8125 -2.7667 0.0000 C 0 0 5.2292 -4.8625 0.0000 N 0 0 4.4042 -4.8625 0.0000 C 0 0 5.5250 0.1208 0.0000 C 0 0 5.5292 -2.3542 0.0000 C 0 0 4.8042 -0.2917 0.0000 N 0 0 4.0667 3.4000 0.0000 C 0 0 6.2250 1.3583 0.0000 C 0 0 5.5292 -1.5292 0.0000 C 0 0 4.1000 -2.3542 0.0000 C 0 0 4.8000 1.3500 0.0000 C 0 0 3.3417 4.6292 0.0000 O 0 5 4.8125 -1.1167 0.0000 C 0 0 2.6417 3.3958 0.0000 O 0 0 4.0792 2.5833 0.0000 C 0 0 3.9167 -5.5292 0.0000 O 0 0 4.7917 2.1750 0.0000 C 0 0 6.2167 2.1833 0.0000 O 0 0 6.2417 -2.7667 0.0000 F 0 0 4.1000 -1.5292 0.0000 C 0 0 3.4292 -4.4875 0.0000 C 0 0 3.7292 -3.3625 0.0000 C 0 0 6.2375 -0.2917 0.0000 C 0 0 4.7792 3.8333 0.0000 C 0 0 6.9417 0.9500 0.0000 C 0 0 6.9500 0.1208 0.0000 C 0 0 5.5042 3.4208 0.0000 C 0 0 5.5042 2.5958 0.0000 C 0 0 2 1 1 0 3 1 2 0 4 9 2 0 5 12 1 0 6 1 1 0 7 3 1 0 8 2 1 0 9 11 1 0 10 6 2 0 11 18 1 0 12 20 2 0 13 4 1 0 14 10 1 0 15 6 1 0 16 4 1 0 17 5 1 0 18 25 1 0 19 5 2 0 20 22 1 0 21 8 2 0 22 16 1 0 23 13 2 0 24 10 1 0 25 15 2 0 26 2 1 0 27 2 1 0 28 9 1 0 29 32 2 0 30 31 1 0 31 28 1 0 32 33 1 0 33 22 2 0 7 8 1 0 18 14 2 0 30 13 1 0 29 12 1 0 M CHG 2 5 1 17 -1 M END > CHEMBL129600 > 1 $$$$ CHEMBL339210 SciTegic12291823182D 34 38 0 0 1 0 999 V2000 5.9500 -0.3417 0.0000 C 0 0 5.9625 -5.2875 0.0000 N 0 0 5.9542 -1.1625 0.0000 C 0 0 5.2417 -4.8792 0.0000 C 0 0 5.2292 0.0708 0.0000 C 0 0 5.9625 -6.1042 0.0000 N 0 0 5.2250 0.8958 0.0000 C 0 0 5.2417 -6.5250 0.0000 C 0 0 3.7500 0.9833 0.0000 C 0 0 5.2417 -1.5750 0.0000 N 0 0 6.6542 0.0750 0.0000 C 0 0 4.5125 1.2958 0.0000 C 0 0 4.5292 -5.2875 0.0000 C 0 0 1 0 0 0 2.4167 0.8708 0.0000 S 0 0 5.2417 -4.0542 0.0000 C 0 0 4.5292 -6.1125 0.0000 C 0 0 3.0417 1.4083 0.0000 C 0 0 3.5542 0.1833 0.0000 C 0 0 2.7375 0.1125 0.0000 C 0 0 5.2500 -7.3500 0.0000 O 0 0 6.6542 0.9000 0.0000 O 0 0 5.2417 -2.4000 0.0000 C 0 0 5.9625 -3.6417 0.0000 C 0 0 4.5292 -3.6417 0.0000 C 0 0 6.6667 -1.5750 0.0000 C 0 0 4.5292 -2.8125 0.0000 C 0 0 5.9625 -2.8125 0.0000 C 0 0 7.3792 -0.3292 0.0000 C 0 0 5.9417 1.3083 0.0000 C 0 0 7.3792 -1.1625 0.0000 C 0 0 3.8167 -4.8750 0.0000 C 0 0 4.5042 2.1208 0.0000 C 0 0 5.9375 2.1333 0.0000 C 0 0 5.2167 2.5458 0.0000 C 0 0 2 4 2 0 3 1 2 0 4 15 1 0 5 1 1 0 6 2 1 0 7 5 1 0 8 16 1 0 9 12 1 0 10 3 1 0 11 1 1 0 12 7 1 0 13 4 1 0 14 17 1 0 15 23 2 0 16 13 1 0 17 9 2 0 18 9 1 0 19 18 2 0 20 8 2 0 21 11 2 0 22 10 1 0 23 27 1 0 24 26 2 0 25 3 1 0 26 22 1 0 27 22 2 0 28 11 1 0 29 7 2 0 30 28 1 0 13 31 1 1 32 12 2 0 33 29 1 0 34 33 2 0 30 25 1 0 34 32 1 0 15 24 1 0 19 14 1 0 6 8 1 0 M END > CHEMBL339210 > 1 $$$$ CHEMBL129255 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 5.3750 -4.9167 0.0000 N 0 0 5.3625 0.0333 0.0000 C 0 0 5.3667 -0.7917 0.0000 C 0 0 4.6542 -4.5042 0.0000 C 0 0 5.3750 -5.7375 0.0000 N 0 0 4.6542 -6.1542 0.0000 C 0 0 4.6542 -1.2042 0.0000 N 0 0 6.0667 0.4458 0.0000 C 0 0 3.9417 -4.9167 0.0000 C 0 0 4.6417 0.4375 0.0000 C 0 0 4.6542 -3.6792 0.0000 C 0 0 3.9417 -5.7417 0.0000 C 0 0 4.6625 -6.9792 0.0000 O 0 0 6.0667 1.2708 0.0000 O 0 0 4.6542 -2.0292 0.0000 C 0 0 3.9417 -3.2667 0.0000 C 0 0 5.3750 -3.2667 0.0000 C 0 0 4.6375 1.2625 0.0000 C 0 0 4.6292 2.9125 0.0000 C 0 0 6.0792 -1.2042 0.0000 C 0 0 5.3750 -2.4417 0.0000 C 0 0 3.9417 -2.4417 0.0000 C 0 0 5.3542 1.6833 0.0000 C 0 0 3.9250 1.6708 0.0000 C 0 0 5.3500 2.5083 0.0000 C 0 0 3.9167 2.4875 0.0000 C 0 0 4.6250 3.7333 0.0000 O 0 0 6.7917 0.0375 0.0000 C 0 0 6.7917 -0.7917 0.0000 C 0 0 3.2292 -4.5042 0.0000 C 0 0 3.9042 4.1375 0.0000 C 0 0 2 3 2 0 3 7 1 0 4 1 2 0 5 1 1 0 6 5 1 0 7 15 1 0 8 2 1 0 9 4 1 0 10 2 1 0 11 4 1 0 12 6 1 0 13 6 2 0 14 8 2 0 15 21 2 0 16 11 1 0 17 11 2 0 18 10 1 0 19 26 1 0 20 3 1 0 21 17 1 0 22 16 2 0 23 18 2 0 24 18 1 0 25 23 1 0 26 24 2 0 27 19 1 0 28 29 1 0 29 20 1 0 30 9 1 0 31 27 1 0 12 9 1 0 15 22 1 0 28 8 1 0 19 25 2 0 M END > CHEMBL129255 > 1 $$$$ CHEMBL128619 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 5.6667 -2.8542 0.0000 C 0 0 7.0042 -2.8542 0.0000 N 0 0 7.0375 2.1708 0.0000 C 0 0 6.3292 -2.3667 0.0000 C 0 0 6.7500 -3.6375 0.0000 N 0 0 5.9250 -3.6375 0.0000 C 0 0 7.0417 1.3458 0.0000 C 0 0 6.3292 0.9333 0.0000 N 0 0 7.7417 2.5833 0.0000 C 0 0 6.3292 -1.5417 0.0000 C 0 0 6.3167 2.5833 0.0000 C 0 0 5.4375 -4.3042 0.0000 O 0 0 7.7417 3.4083 0.0000 O 0 0 6.3292 0.1083 0.0000 C 0 0 7.0500 -1.1292 0.0000 C 0 0 5.6167 -1.1292 0.0000 C 0 0 4.9542 -3.2625 0.0000 C 0 0 5.2542 -2.1375 0.0000 C 0 0 6.3125 3.4000 0.0000 C 0 0 7.7542 0.9333 0.0000 C 0 0 7.0500 -0.3042 0.0000 C 0 0 5.6167 -0.3042 0.0000 C 0 0 8.4667 2.1750 0.0000 C 0 0 8.4667 1.3458 0.0000 C 0 0 7.0292 3.8208 0.0000 C 0 0 5.6000 3.8083 0.0000 C 0 0 5.5917 4.6250 0.0000 C 0 0 7.0250 4.6417 0.0000 C 0 0 6.3042 5.0417 0.0000 C 0 0 2 4 2 0 3 7 2 0 4 1 1 0 5 6 1 0 6 1 1 0 7 8 1 0 8 14 1 0 9 3 1 0 10 4 1 0 11 3 1 0 12 6 2 0 13 9 2 0 14 22 1 0 15 10 2 0 16 10 1 0 17 1 1 0 18 1 1 0 19 11 1 0 20 7 1 0 21 15 1 0 22 16 2 0 23 24 1 0 24 20 1 0 25 19 2 0 26 19 1 0 27 26 2 0 28 25 1 0 29 27 1 0 2 5 1 0 14 21 2 0 9 23 1 0 29 28 2 0 M END > CHEMBL128619 > 1 $$$$ CHEMBL338381 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 5.3167 0.0750 0.0000 C 0 0 5.3292 -4.8667 0.0000 N 0 0 5.3250 -0.7417 0.0000 C 0 0 3.1750 1.2958 0.0000 C 0 0 4.6125 -4.4625 0.0000 C 0 0 4.6000 0.4833 0.0000 C 0 0 5.3292 -5.6917 0.0000 N 0 0 4.5917 1.3083 0.0000 C 0 0 3.8792 1.7125 0.0000 C 0 0 4.6125 -6.1125 0.0000 C 0 0 4.6042 -1.1542 0.0000 N 0 0 6.0250 0.4958 0.0000 C 0 0 3.9000 -4.8667 0.0000 C 0 0 4.6125 -3.6375 0.0000 C 0 0 3.9000 -5.6917 0.0000 C 0 0 4.6167 -6.9375 0.0000 O 0 0 6.0167 1.3208 0.0000 O 0 0 2.5250 0.9125 0.0000 F 0 0 3.5917 0.5875 0.0000 F 0 0 2.7000 1.9750 0.0000 F 0 0 4.6125 -1.9792 0.0000 C 0 0 3.9000 -3.2250 0.0000 C 0 0 5.3292 -3.2250 0.0000 C 0 0 6.0375 -1.1542 0.0000 C 0 0 5.3292 -2.3917 0.0000 C 0 0 3.9000 -2.4000 0.0000 C 0 0 6.7417 0.0833 0.0000 C 0 0 5.3042 1.7333 0.0000 C 0 0 6.7500 -0.7417 0.0000 C 0 0 3.1875 -4.4542 0.0000 C 0 0 3.8667 2.5333 0.0000 C 0 0 5.3042 2.5458 0.0000 C 0 0 4.5792 2.9583 0.0000 C 0 0 2 5 2 0 3 1 2 0 4 9 1 0 5 14 1 0 6 1 1 0 7 2 1 0 8 6 1 0 9 8 1 0 10 15 1 0 11 3 1 0 12 1 1 0 13 5 1 0 14 22 1 0 15 13 1 0 16 10 2 0 17 12 2 0 18 4 1 0 19 4 1 0 20 4 1 0 21 11 1 0 22 26 2 0 23 25 1 0 24 3 1 0 25 21 2 0 26 21 1 0 27 12 1 0 28 8 2 0 29 27 1 0 30 13 1 0 31 9 2 0 32 28 1 0 33 32 2 0 29 24 1 0 33 31 1 0 23 14 2 0 10 7 1 0 M END > CHEMBL338381 > 1 $$$$ CHEMBL184279 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -0.0083 -0.3875 0.0000 C 0 0 0.0042 -1.2250 0.0000 C 0 0 0.7042 0.0333 0.0000 C 0 0 1.4417 -1.2125 0.0000 C 0 0 1.4292 -0.3792 0.0000 N 0 0 0.7167 -1.6375 0.0000 N 0 0 -1.4458 2.9125 0.0000 N 0 0 -0.7208 -1.6375 0.0000 C 0 0 -0.7208 0.0208 0.0000 C 0 0 -1.4458 2.0833 0.0000 C 0 0 2.1542 -1.6250 0.0000 O 0 0 -1.4333 -1.2167 0.0000 C 0 0 -1.4333 -0.4000 0.0000 C 0 0 -0.7208 -2.4542 0.0000 Cl 0 0 1.4167 0.4458 0.0000 C 0 0 -0.0083 0.4375 0.0000 C 0 0 -0.7208 0.8500 0.0000 O 0 0 -1.4333 1.2583 0.0000 C 0 0 -0.0083 1.2625 0.0000 C 0 0 1.4167 1.2625 0.0000 C 0 0 0.7042 1.6833 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 10 3 0 8 2 2 0 9 1 2 0 10 18 1 0 11 4 2 0 12 13 2 0 13 9 1 0 14 8 1 0 15 3 1 0 16 3 1 0 17 9 1 0 18 17 1 0 19 16 1 0 20 15 1 0 21 19 1 0 6 4 1 0 8 12 1 0 20 21 1 0 M END > CHEMBL184279 > 0 $$$$ CHEMBL183965 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 0.0292 -0.3750 0.0000 C 0 0 0.0375 -1.2042 0.0000 C 0 0 0.7417 0.0500 0.0000 C 0 0 1.4750 -1.2000 0.0000 C 0 0 1.4667 -0.3542 0.0000 N 0 0 0.7542 -1.6125 0.0000 N 0 0 -0.6833 -1.6125 0.0000 C 0 0 -0.6833 0.0458 0.0000 C 0 0 2.1917 -1.6125 0.0000 O 0 0 -1.3958 -1.2000 0.0000 C 0 0 -1.3958 -0.3750 0.0000 C 0 0 -0.6833 -2.4375 0.0000 Cl 0 0 1.4542 0.4625 0.0000 C 0 0 0.0292 0.4500 0.0000 C 0 0 -0.6875 0.8625 0.0000 O 0 0 -2.1208 2.5208 0.0000 O 0 0 -1.4083 2.1000 0.0000 C 0 0 -1.4000 1.2833 0.0000 C 0 0 0.0292 1.2833 0.0000 C 0 0 1.4542 1.2875 0.0000 C 0 0 0.7417 1.7000 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 4 2 0 10 11 2 0 11 8 1 0 12 7 1 0 13 3 1 0 14 3 1 0 15 8 1 0 16 17 1 0 17 18 1 0 18 15 1 0 19 14 1 0 20 13 1 0 21 19 1 0 6 4 1 0 7 10 1 0 20 21 1 0 M END > CHEMBL183965 > 0 $$$$ CHEMBL359890 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 0.1917 -1.5042 0.0000 C 0 0 0.1917 -2.3375 0.0000 C 0 0 0.9042 -1.0875 0.0000 C 0 0 1.6292 -2.3375 0.0000 C 0 0 1.6292 -1.5000 0.0000 N 0 0 0.9042 -2.7500 0.0000 N 0 0 -0.8458 2.2333 0.0000 C 0 0 -0.5833 1.4500 0.0000 O 0 0 -0.3708 2.9000 0.0000 C 0 0 -1.6833 2.2208 0.0000 C 0 0 -1.2458 0.9625 0.0000 C 0 0 -0.5333 -1.1000 0.0000 C 0 0 -0.5333 -2.7500 0.0000 C 0 0 -1.9208 1.4500 0.0000 C 0 0 2.3417 -2.7417 0.0000 O 0 0 -0.5333 -0.2667 0.0000 O 0 0 0.4542 2.8208 0.0000 O 0 0 -1.2458 -1.5042 0.0000 C 0 0 -1.2458 -2.3375 0.0000 C 0 0 -1.2458 0.1375 0.0000 C 0 0 -0.5333 -3.5792 0.0000 Cl 0 0 -0.7083 3.6500 0.0000 O 0 0 1.6167 -0.6792 0.0000 C 0 0 0.1792 -0.6792 0.0000 C 0 0 -0.2333 4.3167 0.0000 C 0 0 1.6167 0.1500 0.0000 C 0 0 0.1792 0.1458 0.0000 C 0 0 0.5917 4.2292 0.0000 C 0 0 0.8917 0.5625 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 8 1 0 8 11 1 0 9 7 1 0 10 14 1 0 11 20 1 0 12 1 2 0 13 2 2 0 14 11 2 0 15 4 2 0 16 12 1 0 17 9 2 0 18 12 1 0 19 18 2 0 20 16 1 0 21 13 1 0 22 9 1 0 23 3 1 0 24 3 1 0 25 22 1 0 26 23 1 0 27 24 1 0 28 25 1 0 29 27 1 0 6 4 1 0 13 19 1 0 26 29 1 0 7 10 2 0 M END > CHEMBL359890 > 0 $$$$ CHEMBL183280 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 0.0625 -0.4792 0.0000 C 0 0 0.0625 -1.3167 0.0000 C 0 0 0.7792 -0.0625 0.0000 C 0 0 1.5000 -1.3125 0.0000 C 0 0 1.5000 -0.4792 0.0000 N 0 0 0.7792 -1.7292 0.0000 N 0 0 -0.6500 -0.0750 0.0000 C 0 0 -0.6500 -1.7292 0.0000 C 0 0 -1.3708 1.9833 0.0000 C 0 0 2.2167 -1.7167 0.0000 O 0 0 -0.6625 0.7500 0.0000 O 0 0 -2.0875 2.4000 0.0000 O 0 0 -1.3625 -0.4792 0.0000 C 0 0 -1.3625 -1.3167 0.0000 C 0 0 -1.3708 1.1625 0.0000 C 0 0 -0.6500 -2.5542 0.0000 Cl 0 0 1.4917 0.3458 0.0000 C 0 0 0.0542 0.3458 0.0000 C 0 0 -0.6625 2.4000 0.0000 O 0 0 1.4917 1.1708 0.0000 C 0 0 0.0542 1.1625 0.0000 C 0 0 0.7750 1.5833 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 1 2 0 8 2 2 0 9 15 1 0 10 4 2 0 11 7 1 0 12 9 2 0 13 7 1 0 14 13 2 0 15 11 1 0 16 8 1 0 17 3 1 0 18 3 1 0 19 9 1 0 20 17 1 0 21 18 1 0 22 21 1 0 6 4 1 0 8 14 1 0 20 22 1 0 M END > CHEMBL183280 > 0 $$$$ CHEMBL184861 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 0.1667 -0.7667 0.0000 C 0 0 0.1792 -1.6000 0.0000 C 0 0 0.8792 -0.3375 0.0000 C 0 0 1.6167 -1.5917 0.0000 C 0 0 -0.8083 2.9708 0.0000 N 0 0 1.6042 -0.7542 0.0000 N 0 0 0.9000 -2.0000 0.0000 N 0 0 -0.5833 2.1708 0.0000 N 0 0 -1.6333 3.0000 0.0000 N 0 0 -1.2625 1.7083 0.0000 C 0 0 -1.9208 2.2125 0.0000 N 0 0 -0.5458 -0.3542 0.0000 C 0 0 -0.5458 -2.0000 0.0000 C 0 0 2.3375 -2.0000 0.0000 O 0 0 -0.5458 0.4708 0.0000 O 0 0 -1.2958 0.8833 0.0000 C 0 0 -1.2583 -0.7667 0.0000 C 0 0 -1.2583 -1.5917 0.0000 C 0 0 -0.5458 -2.8292 0.0000 Cl 0 0 1.6000 0.0708 0.0000 C 0 0 0.1667 0.0625 0.0000 C 0 0 0.1667 0.8833 0.0000 C 0 0 1.6000 0.9000 0.0000 C 0 0 0.8792 1.3083 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 6 1 0 5 8 2 0 6 3 1 0 7 2 1 0 8 10 1 0 9 11 1 0 10 16 1 0 11 10 2 0 12 1 1 0 13 2 1 0 14 4 2 0 15 12 1 0 16 15 1 0 17 12 2 0 18 17 1 0 19 13 1 0 20 3 1 0 21 3 1 0 22 21 1 0 23 20 1 0 24 22 1 0 7 4 1 0 13 18 2 0 23 24 1 0 9 5 1 0 M END > CHEMBL184861 > 0 $$$$ CHEMBL182536 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 0.2750 -0.9042 0.0000 C 0 0 -1.8625 2.0500 0.0000 N 0 0 0.2792 -1.7375 0.0000 C 0 0 0.9792 -0.4875 0.0000 C 0 0 1.7167 -1.7375 0.0000 C 0 0 1.7125 -0.9000 0.0000 N 0 0 0.9917 -2.1500 0.0000 N 0 0 -1.1875 1.5625 0.0000 C 0 0 -1.6000 2.8375 0.0000 C 0 0 -0.5208 2.0500 0.0000 N 0 0 -0.7708 2.8375 0.0000 O 0 0 -0.4458 -0.5000 0.0000 C 0 0 -0.4458 -2.1500 0.0000 C 0 0 2.4292 -2.1417 0.0000 O 0 0 -0.4458 0.3333 0.0000 O 0 0 -1.1875 0.7375 0.0000 C 0 0 -1.1625 -0.9042 0.0000 C 0 0 -1.1625 -1.7375 0.0000 C 0 0 -2.0833 3.5000 0.0000 O 0 0 -0.4458 -2.9792 0.0000 Cl 0 0 0.2625 -0.0792 0.0000 C 0 0 1.7000 -0.0792 0.0000 C 0 0 1.7000 0.7500 0.0000 C 0 0 0.2625 0.7458 0.0000 C 0 0 0.9792 1.1625 0.0000 C 0 0 2 8 1 0 3 1 1 0 4 1 1 0 5 6 1 0 6 4 1 0 7 3 1 0 8 16 1 0 9 2 2 0 10 8 2 0 11 10 1 0 12 1 2 0 13 3 2 0 14 5 2 0 15 12 1 0 16 15 1 0 17 12 1 0 18 17 2 0 19 9 1 0 20 13 1 0 21 4 1 0 22 4 1 0 23 22 1 0 24 21 1 0 25 23 1 0 7 5 1 0 13 18 1 0 24 25 1 0 11 9 1 0 M END > CHEMBL182536 > 0 $$$$ CHEMBL365447 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 0.2125 -1.1917 0.0000 C 0 0 0.2167 -2.0167 0.0000 C 0 0 0.9250 -0.7667 0.0000 C 0 0 1.6542 -2.0167 0.0000 C 0 0 1.6500 -1.1792 0.0000 N 0 0 0.9292 -2.4292 0.0000 N 0 0 -0.8458 2.5458 0.0000 C 0 0 -0.5875 1.7708 0.0000 O 0 0 -0.3625 3.2208 0.0000 C 0 0 -1.6833 2.5458 0.0000 C 0 0 -1.2500 1.2833 0.0000 C 0 0 -0.5083 -0.7792 0.0000 C 0 0 -0.5083 -2.4292 0.0000 C 0 0 -1.9208 1.7708 0.0000 C 0 0 2.3667 -2.4292 0.0000 O 0 0 -0.5083 0.0458 0.0000 O 0 0 0.4542 3.1333 0.0000 O 0 0 -1.2208 -1.1917 0.0000 C 0 0 -1.2208 -2.0167 0.0000 C 0 0 -1.2500 0.4583 0.0000 C 0 0 -0.7000 3.9708 0.0000 O 0 0 -0.5083 -3.2542 0.0000 Cl 0 0 0.2042 -0.3667 0.0000 C 0 0 1.6375 -0.3542 0.0000 C 0 0 1.6375 0.4708 0.0000 C 0 0 0.2042 0.4583 0.0000 C 0 0 0.9167 0.8833 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 8 1 0 8 11 1 0 9 7 1 0 10 14 1 0 11 20 1 0 12 1 2 0 13 2 2 0 14 11 2 0 15 4 2 0 16 12 1 0 17 9 2 0 18 12 1 0 19 18 2 0 20 16 1 0 21 9 1 0 22 13 1 0 23 3 1 0 24 3 1 0 25 24 1 0 26 23 1 0 27 25 1 0 6 4 1 0 13 19 1 0 26 27 1 0 7 10 2 0 M END > CHEMBL365447 > 0 $$$$ CHEMBL360627 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 0.3792 -0.9375 0.0000 C 0 0 0.3792 -1.7667 0.0000 C 0 0 1.0917 -0.5167 0.0000 C 0 0 -1.8000 2.7708 0.0000 S 0 0 1.8167 -1.7625 0.0000 C 0 0 1.8167 -0.9292 0.0000 N 0 0 1.1000 -2.1792 0.0000 N 0 0 -0.3458 -2.1792 0.0000 C 0 0 -0.3458 -0.5250 0.0000 C 0 0 -0.9833 2.7708 0.0000 O 0 0 -2.6250 2.7708 0.0000 O 0 0 2.5375 -2.1792 0.0000 O 0 0 -1.8000 3.5958 0.0000 O 0 0 -1.0500 -1.7667 0.0000 C 0 0 -1.0500 -0.9375 0.0000 C 0 0 -1.8000 1.9458 0.0000 C 0 0 -0.3458 -3.0042 0.0000 Cl 0 0 1.8042 -0.1042 0.0000 C 0 0 0.3750 -0.1125 0.0000 C 0 0 -0.3458 0.3000 0.0000 O 0 0 -1.0833 1.5333 0.0000 C 0 0 -1.0833 0.7083 0.0000 C 0 0 1.8042 0.7208 0.0000 C 0 0 0.3750 0.7125 0.0000 C 0 0 1.0792 1.1333 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 16 1 0 5 6 1 0 6 3 1 0 7 2 1 0 8 2 2 0 9 1 2 0 10 4 2 0 11 4 2 0 12 5 2 0 13 4 1 0 14 15 2 0 15 9 1 0 16 21 1 0 17 8 1 0 18 3 1 0 19 3 1 0 20 9 1 0 21 22 1 0 22 20 1 0 23 18 1 0 24 19 1 0 25 24 1 0 7 5 1 0 8 14 1 0 23 25 1 0 M END > CHEMBL360627 > 0 $$$$ CHEMBL185523 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 0.6167 -0.9500 0.0000 C 0 0 0.6167 -1.7792 0.0000 C 0 0 1.3250 -0.5292 0.0000 C 0 0 2.0542 -1.7792 0.0000 C 0 0 2.0542 -0.9417 0.0000 N 0 0 1.3292 -2.1917 0.0000 N 0 0 -0.1083 -2.1917 0.0000 C 0 0 -0.1083 -0.5375 0.0000 C 0 0 -1.5708 1.9333 0.0000 N 0 0 2.7667 -2.1875 0.0000 O 0 0 -0.8208 -1.7792 0.0000 C 0 0 -0.8208 -0.9500 0.0000 C 0 0 -2.9958 2.7708 0.0000 O 0 0 -0.1083 -3.0167 0.0000 Cl 0 0 2.0375 -0.1167 0.0000 C 0 0 0.6042 -0.1250 0.0000 C 0 0 -0.1083 0.2875 0.0000 O 0 0 -0.8458 1.5208 0.0000 C 0 0 -0.8458 0.6958 0.0000 C 0 0 -2.2833 1.5208 0.0000 C 0 0 -1.5625 2.7708 0.0000 C 0 0 -2.9958 1.9458 0.0000 C 0 0 -2.2750 3.1750 0.0000 C 0 0 2.0375 0.7083 0.0000 C 0 0 0.6042 0.7000 0.0000 C 0 0 1.3167 1.1208 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 18 1 0 10 4 2 0 11 12 2 0 12 8 1 0 13 23 1 0 14 7 1 0 15 3 1 0 16 3 1 0 17 8 1 0 18 19 1 0 19 17 1 0 20 9 1 0 21 9 1 0 22 20 1 0 23 21 1 0 24 15 1 0 25 16 1 0 26 25 1 0 6 4 1 0 7 11 1 0 24 26 1 0 22 13 1 0 M END > CHEMBL185523 > 0 $$$$ CHEMBL185275 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 0.0375 -0.3667 0.0000 C 0 0 0.0417 -1.2000 0.0000 C 0 0 0.7500 0.0500 0.0000 C 0 0 1.4792 -1.2000 0.0000 C 0 0 1.4792 -0.3625 0.0000 N 0 0 0.7542 -1.6125 0.0000 N 0 0 -0.6833 -1.6125 0.0000 C 0 0 -0.6833 0.0458 0.0000 C 0 0 2.1917 -1.6042 0.0000 O 0 0 -1.3958 -1.2000 0.0000 C 0 0 -1.3958 -0.3667 0.0000 C 0 0 -0.6833 -2.4375 0.0000 Cl 0 0 1.4625 0.4625 0.0000 C 0 0 0.0292 0.4583 0.0000 C 0 0 -0.6833 0.8708 0.0000 O 0 0 -2.1458 2.5208 0.0000 N 0 0 -1.4208 2.1000 0.0000 C 0 0 -1.4208 1.2750 0.0000 C 0 0 0.0292 1.2833 0.0000 C 0 0 1.4625 1.2875 0.0000 C 0 0 0.7417 1.7000 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 4 2 0 10 11 2 0 11 8 1 0 12 7 1 0 13 3 1 0 14 3 1 0 15 8 1 0 16 17 1 0 17 18 1 0 18 15 1 0 19 14 1 0 20 13 1 0 21 19 1 0 6 4 1 0 7 10 1 0 20 21 1 0 M END > CHEMBL185275 > 0 $$$$ CHEMBL184979 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 0.1375 -0.5167 0.0000 C 0 0 0.1375 -1.3542 0.0000 C 0 0 0.8500 -0.0917 0.0000 C 0 0 1.5792 -1.3500 0.0000 C 0 0 1.5750 -0.5167 0.0000 N 0 0 0.8542 -1.7625 0.0000 N 0 0 -0.5833 -1.7625 0.0000 C 0 0 -0.5833 -0.1125 0.0000 C 0 0 2.2917 -1.7542 0.0000 O 0 0 -1.3000 -1.3542 0.0000 C 0 0 -1.3000 -0.5167 0.0000 C 0 0 -0.5833 -2.5917 0.0000 Cl 0 0 1.5542 0.3083 0.0000 C 0 0 0.1292 0.3000 0.0000 C 0 0 -2.0458 2.3625 0.0000 N 0 0 -0.5833 0.7208 0.0000 O 0 0 -1.3250 1.9458 0.0000 C 0 0 -2.0458 3.1875 0.0000 C 0 0 -1.3250 1.1208 0.0000 C 0 0 1.5542 1.1375 0.0000 C 0 0 0.1292 1.1250 0.0000 C 0 0 0.8375 1.5458 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 4 2 0 10 11 2 0 11 8 1 0 12 7 1 0 13 3 1 0 14 3 1 0 15 17 1 0 16 8 1 0 17 19 1 0 18 15 1 0 19 16 1 0 20 13 1 0 21 14 1 0 22 21 1 0 6 4 1 0 7 10 1 0 20 22 1 0 M END > CHEMBL184979 > 0 $$$$ CHEMBL184903 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 0.2542 -0.6042 0.0000 C 0 0 0.2542 -1.4375 0.0000 C 0 0 0.9667 -0.1875 0.0000 C 0 0 1.7000 -1.4292 0.0000 C 0 0 1.6917 -0.6000 0.0000 N 0 0 0.9750 -1.8500 0.0000 N 0 0 -0.4625 -1.8500 0.0000 C 0 0 -0.4625 -0.1917 0.0000 C 0 0 2.4042 -1.8417 0.0000 O 0 0 -1.1833 -1.4375 0.0000 C 0 0 -1.1833 -0.6042 0.0000 C 0 0 -0.4625 -2.6750 0.0000 Cl 0 0 -1.9250 2.2750 0.0000 N 0 0 1.6792 0.2250 0.0000 C 0 0 0.2417 0.2208 0.0000 C 0 0 -0.4625 0.6333 0.0000 O 0 0 -1.2083 1.0375 0.0000 C 0 0 -1.2083 1.8625 0.0000 C 0 0 -1.9208 3.1083 0.0000 C 0 0 -2.6458 1.8708 0.0000 C 0 0 1.6792 1.0500 0.0000 C 0 0 0.2417 1.0458 0.0000 C 0 0 0.9542 1.4625 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 4 2 0 10 11 2 0 11 8 1 0 12 7 1 0 13 18 1 0 14 3 1 0 15 3 1 0 16 8 1 0 17 16 1 0 18 17 1 0 19 13 1 0 20 13 1 0 21 14 1 0 22 15 1 0 23 22 1 0 6 4 1 0 7 10 1 0 21 23 1 0 M END > CHEMBL184903 > 0 $$$$ CHEMBL185108 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.3042 -0.8250 0.0000 C 0 0 0.3042 -1.6542 0.0000 C 0 0 1.0167 -0.4042 0.0000 C 0 0 1.7417 -1.6500 0.0000 C 0 0 1.7417 -0.8167 0.0000 N 0 0 1.0167 -2.0667 0.0000 N 0 0 -0.4208 -2.0667 0.0000 C 0 0 -0.4208 -0.4125 0.0000 C 0 0 2.4542 -2.0542 0.0000 O 0 0 -1.1250 -1.6542 0.0000 C 0 0 -1.1250 -0.8250 0.0000 C 0 0 -0.4208 -2.8917 0.0000 Cl 0 0 -1.8708 2.8958 0.0000 N 0 0 1.7292 0.0083 0.0000 C 0 0 0.3000 0.0000 0.0000 C 0 0 -0.4208 0.4125 0.0000 O 0 0 -1.1583 1.6458 0.0000 C 0 0 -1.8833 2.0625 0.0000 C 0 0 -1.1583 0.8208 0.0000 C 0 0 -1.1583 3.3083 0.0000 C 0 0 -2.5958 3.3083 0.0000 C 0 0 0.3000 0.8250 0.0000 C 0 0 1.7292 0.8333 0.0000 C 0 0 1.0042 1.2458 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 4 2 0 10 11 2 0 11 8 1 0 12 7 1 0 13 18 1 0 14 3 1 0 15 3 1 0 16 8 1 0 17 19 1 0 18 17 1 0 19 16 1 0 20 13 1 0 21 13 1 0 22 15 1 0 23 14 1 0 24 22 1 0 6 4 1 0 7 10 1 0 23 24 1 0 M END > CHEMBL185108 > 0 $$$$ CHEMBL184701 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.3667 -0.8542 0.0000 C 0 0 0.3667 -1.6917 0.0000 C 0 0 1.0792 -0.4375 0.0000 C 0 0 1.8042 -1.6792 0.0000 C 0 0 1.8042 -0.8500 0.0000 N 0 0 1.0792 -2.1000 0.0000 N 0 0 -0.3583 -2.1000 0.0000 C 0 0 -0.3583 -0.4417 0.0000 C 0 0 2.5167 -2.0917 0.0000 O 0 0 -1.0708 -1.6875 0.0000 C 0 0 -1.0708 -0.8625 0.0000 C 0 0 -0.3583 -2.9250 0.0000 Cl 0 0 1.7917 -0.0250 0.0000 C 0 0 0.3542 -0.0292 0.0000 C 0 0 -0.3583 0.3833 0.0000 O 0 0 -2.5333 4.0792 0.0000 N 0 0 -1.8208 2.0250 0.0000 O 0 0 -2.5333 3.2708 0.0000 C 0 0 -1.0958 0.7875 0.0000 C 0 0 -1.8208 2.8500 0.0000 C 0 0 -1.0958 1.6125 0.0000 C 0 0 1.7917 0.8000 0.0000 C 0 0 0.3542 0.7958 0.0000 C 0 0 1.0667 1.2125 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 4 2 0 10 11 2 0 11 8 1 0 12 7 1 0 13 3 1 0 14 3 1 0 15 8 1 0 16 18 1 0 17 21 1 0 18 20 1 0 19 15 1 0 20 17 1 0 21 19 1 0 22 13 1 0 23 14 1 0 24 23 1 0 6 4 1 0 7 10 1 0 22 24 1 0 M END > CHEMBL184701 > 0 $$$$ CHEMBL364200 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.2167 -0.7667 0.0000 C 0 0 0.2167 -1.6042 0.0000 C 0 0 0.9375 -0.3500 0.0000 C 0 0 1.6542 -1.5917 0.0000 C 0 0 1.6542 -0.7625 0.0000 N 0 0 0.9417 -2.0125 0.0000 N 0 0 -0.4958 -0.3542 0.0000 C 0 0 -0.4958 -2.0125 0.0000 C 0 0 2.3792 -2.0042 0.0000 O 0 0 -0.5000 0.4708 0.0000 O 0 0 -1.2208 -0.7792 0.0000 C 0 0 -1.2208 -1.6000 0.0000 C 0 0 -1.2458 0.8750 0.0000 C 0 0 -0.4958 -2.8375 0.0000 Cl 0 0 -1.2583 1.7000 0.0000 C 0 0 0.2167 0.0583 0.0000 C 0 0 1.6417 0.0625 0.0000 C 0 0 -1.9958 2.9208 0.0000 N 0 0 -0.5583 2.1208 0.0000 O 0 0 -1.9833 2.1000 0.0000 C 0 0 -1.2958 3.3583 0.0000 C 0 0 1.6417 0.8875 0.0000 C 0 0 0.2167 0.8833 0.0000 C 0 0 0.9292 1.3000 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 1 2 0 8 2 2 0 9 4 2 0 10 7 1 0 11 7 1 0 12 11 2 0 13 10 1 0 14 8 1 0 15 13 1 0 16 3 1 0 17 3 1 0 18 20 1 0 19 15 1 0 20 15 1 0 21 18 1 0 22 17 1 0 23 16 1 0 24 22 1 0 6 4 1 0 8 12 1 0 23 24 1 0 M END > CHEMBL364200 > 0 $$$$ CHEMBL184013 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 0.3292 -0.9000 0.0000 C 0 0 0.3292 -1.7375 0.0000 C 0 0 1.0417 -0.4792 0.0000 C 0 0 1.7667 -1.7250 0.0000 C 0 0 1.7667 -0.8917 0.0000 N 0 0 1.0542 -2.1417 0.0000 N 0 0 -0.3833 -0.4875 0.0000 C 0 0 -0.3833 -2.1417 0.0000 C 0 0 2.4875 -2.1375 0.0000 O 0 0 -0.3958 0.3375 0.0000 O 0 0 -1.1083 -0.9042 0.0000 C 0 0 -1.1083 -1.7292 0.0000 C 0 0 -1.1458 1.5708 0.0000 C 0 0 -1.8833 2.7958 0.0000 N 0 0 -1.8708 1.9708 0.0000 C 0 0 -1.1333 0.7458 0.0000 C 0 0 -0.3833 -2.9667 0.0000 Cl 0 0 0.3250 -0.0750 0.0000 C 0 0 1.7542 -0.0667 0.0000 C 0 0 -0.4458 1.9958 0.0000 O 0 0 -2.6125 3.1875 0.0000 C 0 0 -1.1833 3.2208 0.0000 C 0 0 0.3250 0.7500 0.0000 C 0 0 1.7542 0.7583 0.0000 C 0 0 1.0375 1.1708 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 1 2 0 8 2 2 0 9 4 2 0 10 7 1 0 11 7 1 0 12 11 2 0 13 16 1 0 14 15 1 0 15 13 1 0 16 10 1 0 17 8 1 0 18 3 1 0 19 3 1 0 20 13 1 0 21 14 1 0 22 14 1 0 23 18 1 0 24 19 1 0 25 24 1 0 6 4 1 0 8 12 1 0 23 25 1 0 M END > CHEMBL184013 > 0 $$$$ CHEMBL363658 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 0.5042 -0.9625 0.0000 C 0 0 0.5042 -1.8000 0.0000 C 0 0 1.2167 -0.5417 0.0000 C 0 0 1.9417 -1.7875 0.0000 C 0 0 1.9417 -0.9542 0.0000 N 0 0 1.2167 -2.2042 0.0000 N 0 0 -0.2208 -2.2042 0.0000 C 0 0 -0.2208 -0.5500 0.0000 C 0 0 2.6542 -2.2000 0.0000 O 0 0 -2.4458 3.1250 0.0000 C 0 0 -2.4583 3.9583 0.0000 O 0 0 -0.9333 -1.7917 0.0000 C 0 0 -0.9333 -0.9667 0.0000 C 0 0 -0.2208 -3.0292 0.0000 Cl 0 0 1.9292 -0.1292 0.0000 C 0 0 0.5000 -0.1375 0.0000 C 0 0 -3.1458 2.7083 0.0000 O 0 0 -1.6958 1.9083 0.0000 N 0 0 -0.2208 0.2750 0.0000 O 0 0 -1.7208 2.7333 0.0000 C 0 0 -0.9833 1.5083 0.0000 C 0 0 -0.9708 0.6833 0.0000 C 0 0 0.5000 0.6875 0.0000 C 0 0 1.9292 0.6958 0.0000 C 0 0 1.2042 1.1083 0.0000 C 0 0 2 1 1 0 3 1 1 0 4 5 1 0 5 3 1 0 6 2 1 0 7 2 2 0 8 1 2 0 9 4 2 0 10 20 1 0 11 10 2 0 12 13 2 0 13 8 1 0 14 7 1 0 15 3 1 0 16 3 1 0 17 10 1 0 18 21 1 0 19 8 1 0 20 18 1 0 21 22 1 0 22 19 1 0 23 16 1 0 24 15 1 0 25 23 1 0 6 4 1 0 7 12 1 0 24 25 1 0 M END > CHEMBL363658 > 0 $$$$ CHEMBL361512 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 0.5750 0.9250 0.0000 C 0 0 0.0250 0.3125 0.0000 S 0 0 -0.6500 1.4708 0.0000 N 0 0 -0.7333 0.6500 0.0000 C 0 0 0.1625 1.6500 0.0000 N 0 0 1.3917 0.8458 0.0000 N 0 0 -1.4375 0.2333 0.0000 C 0 0 1.7375 0.0958 0.0000 C 0 0 -2.1583 0.6458 0.0000 C 0 0 -1.4375 -0.6000 0.0000 C 0 0 -2.8708 -0.6000 0.0000 C 0 0 2.4125 -1.4125 0.0000 C 0 0 0.4917 2.4000 0.0000 C 0 0 -2.1583 -1.0125 0.0000 C 0 0 -2.8708 0.2333 0.0000 C 0 0 -3.5875 -1.0125 0.0000 Cl 0 0 2.5500 0.0125 0.0000 C 0 0 1.2500 -0.5750 0.0000 C 0 0 2.8917 -0.7375 0.0000 C 0 0 1.5875 -1.3167 0.0000 C 0 0 2.7500 -2.1542 0.0000 O 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 4 1 0 8 6 1 0 9 7 2 0 10 7 1 0 11 14 1 0 12 20 2 0 13 5 1 0 14 10 2 0 15 9 1 0 16 11 1 0 17 8 1 0 18 8 2 0 19 17 2 0 20 18 1 0 21 12 1 0 4 3 2 0 19 12 1 0 15 11 2 0 M END > CHEMBL361512 > 0 $$$$ CHEMBL183156 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 0.3167 1.1458 0.0000 C 0 0 -0.2333 0.5375 0.0000 S 0 0 -0.9083 1.6875 0.0000 N 0 0 -0.9833 0.8708 0.0000 C 0 0 -0.0958 1.8708 0.0000 N 0 0 1.1417 1.0625 0.0000 N 0 0 2.4917 -1.9375 0.0000 C 0 0 -1.6958 0.4500 0.0000 C 0 0 2.1542 -1.1917 0.0000 C 0 0 2.0167 -2.6125 0.0000 O 0 0 1.4792 0.3125 0.0000 C 0 0 -2.4083 0.8625 0.0000 C 0 0 -1.6958 -0.3792 0.0000 C 0 0 1.3292 -1.1000 0.0000 C 0 0 2.6417 -0.5167 0.0000 C 0 0 3.3167 -2.0167 0.0000 O 0 0 -3.1208 -0.3792 0.0000 C 0 0 0.2417 2.6208 0.0000 C 0 0 2.2917 0.2375 0.0000 C 0 0 0.9917 -0.3542 0.0000 C 0 0 -2.4083 -0.7917 0.0000 C 0 0 -3.1208 0.4500 0.0000 C 0 0 -3.8458 -0.7917 0.0000 Cl 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 9 1 0 8 4 1 0 9 14 2 0 10 7 2 0 11 6 1 0 12 8 2 0 13 8 1 0 14 20 1 0 15 19 2 0 16 7 1 0 17 21 1 0 18 5 1 0 19 11 1 0 20 11 2 0 21 13 2 0 22 12 1 0 23 17 1 0 4 3 2 0 15 9 1 0 22 17 2 0 M END > CHEMBL183156 > 0 $$$$ CHEMBL362719 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 0.5750 0.9250 0.0000 C 0 0 0.0250 0.3125 0.0000 S 0 0 -0.6500 1.4708 0.0000 N 0 0 -0.7333 0.6500 0.0000 C 0 0 0.1625 1.6500 0.0000 N 0 0 1.3917 0.8458 0.0000 N 0 0 -1.4375 0.2333 0.0000 C 0 0 1.7375 0.0958 0.0000 C 0 0 -2.1583 0.6458 0.0000 C 0 0 -1.4375 -0.6000 0.0000 C 0 0 -2.8708 -0.6000 0.0000 C 0 0 2.4125 -1.4125 0.0000 C 0 0 0.4917 2.4000 0.0000 C 0 0 -2.1583 -1.0125 0.0000 C 0 0 -2.8708 0.2333 0.0000 C 0 0 -3.5875 -1.0125 0.0000 Cl 0 0 2.7500 -2.1542 0.0000 F 0 0 2.5500 0.0125 0.0000 C 0 0 1.2500 -0.5750 0.0000 C 0 0 2.8917 -0.7375 0.0000 C 0 0 1.5875 -1.3167 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 4 1 0 8 6 1 0 9 7 2 0 10 7 1 0 11 14 1 0 12 21 2 0 13 5 1 0 14 10 2 0 15 9 1 0 16 11 1 0 17 12 1 0 18 8 1 0 19 8 2 0 20 18 2 0 21 19 1 0 4 3 2 0 20 12 1 0 15 11 2 0 M END > CHEMBL362719 > 0 $$$$ CHEMBL184837 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.5500 0.8875 0.0000 C 0 0 0.0000 0.2750 0.0000 S 0 0 -0.6708 1.4250 0.0000 N 0 0 -0.7583 0.6125 0.0000 C 0 0 1.3667 0.8000 0.0000 N 0 0 0.1375 1.6000 0.0000 N 0 0 1.7125 0.0500 0.0000 C 0 0 1.2250 -0.6125 0.0000 C 0 0 0.4042 -0.5292 0.0000 C 0 0 -1.4625 0.1875 0.0000 C 0 0 2.5292 -0.0250 0.0000 C 0 0 -0.3125 -0.1167 0.0000 O 0 0 -2.1833 0.6000 0.0000 C 0 0 -1.4625 -0.6375 0.0000 C 0 0 0.1542 -1.3125 0.0000 O 0 0 1.5625 -1.3625 0.0000 C 0 0 -2.8958 -0.6375 0.0000 C 0 0 0.4667 2.3583 0.0000 C 0 0 -2.8958 0.1875 0.0000 C 0 0 -2.1833 -1.0500 0.0000 C 0 0 -3.6083 -1.0500 0.0000 Cl 0 0 3.0125 0.6458 0.0000 O 0 0 2.3792 -1.4500 0.0000 C 0 0 2.8667 -0.7750 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 2 1 0 5 1 2 0 6 1 1 0 7 5 1 0 8 7 2 0 9 8 1 0 10 4 1 0 11 7 1 0 12 9 2 0 13 10 2 0 14 10 1 0 15 9 1 0 16 8 1 0 17 20 1 0 18 6 1 0 19 13 1 0 20 14 2 0 21 17 1 0 22 11 1 0 23 24 1 0 24 11 2 0 4 3 2 0 16 23 2 0 19 17 2 0 M END > CHEMBL184837 > 0 $$$$ CHEMBL363673 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.5500 0.8875 0.0000 C 0 0 0.0000 0.2750 0.0000 S 0 0 -0.6708 1.4250 0.0000 N 0 0 -0.7583 0.6125 0.0000 C 0 0 1.3667 0.8000 0.0000 N 0 0 0.1375 1.6000 0.0000 N 0 0 1.7125 0.0500 0.0000 C 0 0 1.2250 -0.6125 0.0000 C 0 0 0.4042 -0.5292 0.0000 C 0 0 -1.4625 0.1875 0.0000 C 0 0 2.5292 -0.0250 0.0000 C 0 0 -0.3125 -0.1167 0.0000 O 0 0 -2.1833 0.6000 0.0000 C 0 0 -1.4625 -0.6375 0.0000 C 0 0 0.1542 -1.3125 0.0000 O 0 0 1.5625 -1.3625 0.0000 C 0 0 -2.8958 -0.6375 0.0000 C 0 0 0.4667 2.3583 0.0000 C 0 0 -2.8958 0.1875 0.0000 C 0 0 -2.1833 -1.0500 0.0000 C 0 0 -3.6083 -1.0500 0.0000 Cl 0 0 2.3792 -1.4500 0.0000 C 0 0 2.8667 -0.7750 0.0000 C 0 0 3.0042 0.6458 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 2 1 0 5 1 2 0 6 1 1 0 7 5 1 0 8 7 2 0 9 8 1 0 10 4 1 0 11 7 1 0 12 9 2 0 13 10 2 0 14 10 1 0 15 9 1 0 16 8 1 0 17 20 1 0 18 6 1 0 19 13 1 0 20 14 2 0 21 17 1 0 22 23 1 0 23 11 2 0 24 11 1 0 4 3 2 0 16 22 2 0 19 17 2 0 M END > CHEMBL363673 > 0 $$$$ CHEMBL182227 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.0667 0.9208 0.0000 C 0 0 -0.4833 0.3000 0.0000 S 0 0 -1.1583 1.4583 0.0000 N 0 0 -1.2458 0.6458 0.0000 C 0 0 -0.3458 1.6333 0.0000 N 0 0 0.8792 0.8333 0.0000 N 0 0 2.3792 -0.7417 0.0000 C 0 0 2.0417 0.0000 0.0000 C 0 0 1.2292 0.0833 0.0000 C 0 0 3.2042 -0.8292 0.0000 C 0 0 -1.9458 0.2208 0.0000 C 0 0 3.5417 -1.5792 0.0000 O 0 0 -1.9458 -0.6042 0.0000 C 0 0 -2.6708 0.6333 0.0000 C 0 0 2.5167 0.6708 0.0000 O 0 0 3.6792 -0.1542 0.0000 O 0 0 1.9042 -1.4167 0.0000 C 0 0 -3.3833 -0.6042 0.0000 C 0 0 -0.0208 2.3833 0.0000 C 0 0 -3.3833 0.2208 0.0000 C 0 0 -2.6708 -1.0167 0.0000 C 0 0 -4.0958 -1.0167 0.0000 Cl 0 0 0.7375 -0.5792 0.0000 C 0 0 1.0792 -1.3292 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 8 2 0 8 9 1 0 9 6 1 0 10 7 1 0 11 4 1 0 12 10 2 0 13 11 1 0 14 11 2 0 15 8 1 0 16 10 1 0 17 24 2 0 18 20 2 0 19 5 1 0 20 14 1 0 21 13 2 0 22 18 1 0 23 9 2 0 24 23 1 0 4 3 2 0 7 17 1 0 21 18 1 0 M END > CHEMBL182227 > 1 $$$$ CHEMBL182574 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.0792 1.0333 0.0000 C 0 0 -0.4708 0.4208 0.0000 S 0 0 -1.1458 1.5708 0.0000 N 0 0 -1.2333 0.7625 0.0000 C 0 0 -0.3375 1.7458 0.0000 N 0 0 2.3917 -0.6292 0.0000 C 0 0 0.8917 0.9458 0.0000 N 0 0 3.2167 -0.7125 0.0000 C 0 0 -1.9375 0.3333 0.0000 C 0 0 1.9167 -1.3042 0.0000 C 0 0 2.0542 0.1208 0.0000 C 0 0 1.2375 0.1958 0.0000 C 0 0 3.5542 -1.4542 0.0000 O 0 0 1.0917 -1.2167 0.0000 C 0 0 -1.9375 -0.4917 0.0000 C 0 0 -2.6583 0.7458 0.0000 C 0 0 3.6917 -0.0292 0.0000 O 0 0 0.7542 -0.4667 0.0000 C 0 0 -3.3708 -0.4917 0.0000 C 0 0 2.2542 -2.0542 0.0000 F 0 0 -0.0083 2.5000 0.0000 C 0 0 -3.3708 0.3333 0.0000 C 0 0 -2.6583 -0.9042 0.0000 C 0 0 -4.0833 -0.9042 0.0000 Cl 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 11 2 0 7 1 2 0 8 6 1 0 9 4 1 0 10 14 2 0 11 12 1 0 12 7 1 0 13 8 2 0 14 18 1 0 15 9 1 0 16 9 2 0 17 8 1 0 18 12 2 0 19 22 2 0 20 10 1 0 21 5 1 0 22 16 1 0 23 15 2 0 24 19 1 0 4 3 2 0 6 10 1 0 23 19 1 0 M END > CHEMBL182574 > 0 $$$$ CHEMBL184017 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.0792 1.0333 0.0000 C 0 0 -0.4708 0.4208 0.0000 S 0 0 -1.1458 1.5708 0.0000 N 0 0 -1.2333 0.7625 0.0000 C 0 0 -0.3375 1.7458 0.0000 N 0 0 2.3917 -0.6292 0.0000 C 0 0 0.8917 0.9458 0.0000 N 0 0 3.2167 -0.7125 0.0000 C 0 0 -1.9375 0.3333 0.0000 C 0 0 1.9167 -1.3042 0.0000 C 0 0 2.0542 0.1208 0.0000 C 0 0 1.2375 0.1958 0.0000 C 0 0 3.5542 -1.4542 0.0000 O 0 0 1.0917 -1.2167 0.0000 C 0 0 -1.9375 -0.4917 0.0000 C 0 0 -2.6583 0.7458 0.0000 C 0 0 3.6917 -0.0292 0.0000 O 0 0 0.7542 -0.4667 0.0000 C 0 0 -3.3708 -0.4917 0.0000 C 0 0 -0.0083 2.5000 0.0000 C 0 0 -2.6583 -0.9042 0.0000 C 0 0 -3.3708 0.3333 0.0000 C 0 0 2.2542 -2.0542 0.0000 O 0 0 -4.0833 -0.9042 0.0000 Cl 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 11 2 0 7 1 2 0 8 6 1 0 9 4 1 0 10 14 2 0 11 12 1 0 12 7 1 0 13 8 2 0 14 18 1 0 15 9 1 0 16 9 2 0 17 8 1 0 18 12 2 0 19 22 2 0 20 5 1 0 21 15 2 0 22 16 1 0 23 10 1 0 24 19 1 0 4 3 2 0 6 10 1 0 21 19 1 0 M END > CHEMBL184017 > 1 $$$$ CHEMBL185531 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 0.5542 0.7958 0.0000 C 0 0 0.0125 0.1833 0.0000 S 0 0 -0.6625 1.3333 0.0000 N 0 0 -0.7458 0.5083 0.0000 C 0 0 0.1500 1.5083 0.0000 N 0 0 1.3792 0.7083 0.0000 N 0 0 1.7250 -0.0417 0.0000 C 0 0 -1.4500 0.0958 0.0000 C 0 0 2.5375 -0.1167 0.0000 C 0 0 -2.1708 0.5083 0.0000 C 0 0 -1.4500 -0.7292 0.0000 C 0 0 -2.8833 -0.7292 0.0000 C 0 0 0.4792 2.2708 0.0000 C 0 0 -2.8833 0.0958 0.0000 C 0 0 -2.1708 -1.1417 0.0000 C 0 0 -3.6000 -1.1417 0.0000 Cl 0 0 3.0250 0.5458 0.0000 O 0 0 1.2375 -0.7042 0.0000 C 0 0 2.8792 -0.8667 0.0000 C 0 0 1.5750 -1.4542 0.0000 C 0 0 2.4000 -1.5417 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 6 1 0 8 4 1 0 9 7 1 0 10 8 2 0 11 8 1 0 12 15 1 0 13 5 1 0 14 10 1 0 15 11 2 0 16 12 1 0 17 9 1 0 18 7 2 0 19 9 2 0 20 18 1 0 21 20 2 0 4 3 2 0 19 21 1 0 14 12 2 0 M END > CHEMBL185531 > 0 $$$$ CHEMBL185532 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 0.5292 0.8625 0.0000 C 0 0 -0.0208 0.2583 0.0000 S 0 0 -0.6958 1.4000 0.0000 N 0 0 -0.7750 0.5833 0.0000 C 0 0 0.1167 1.5833 0.0000 N 0 0 1.3500 0.7833 0.0000 N 0 0 -1.4833 0.1625 0.0000 C 0 0 1.6917 0.0250 0.0000 C 0 0 2.5042 -0.0417 0.0000 C 0 0 -2.2000 0.5833 0.0000 C 0 0 -1.4833 -0.6542 0.0000 C 0 0 2.8500 -0.8000 0.0000 C 0 0 -2.9125 -0.6542 0.0000 C 0 0 0.4500 2.3333 0.0000 C 0 0 -2.2000 -1.0750 0.0000 C 0 0 -2.9125 0.1625 0.0000 C 0 0 -3.6333 -1.0750 0.0000 Cl 0 0 3.6667 -0.8792 0.0000 O 0 0 1.5417 -1.3792 0.0000 C 0 0 1.2042 -0.6375 0.0000 C 0 0 2.3667 -1.4750 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 4 1 0 8 6 1 0 9 8 1 0 10 7 2 0 11 7 1 0 12 9 2 0 13 15 1 0 14 5 1 0 15 11 2 0 16 10 1 0 17 13 1 0 18 12 1 0 19 20 1 0 20 8 2 0 21 19 2 0 4 3 2 0 12 21 1 0 16 13 2 0 M END > CHEMBL185532 > 1 $$$$ CHEMBL185604 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 0.1750 0.9458 0.0000 C 0 0 -0.3750 0.3333 0.0000 S 0 0 -1.0500 1.4833 0.0000 N 0 0 -1.1333 0.6625 0.0000 C 0 0 -0.2375 1.6583 0.0000 N 0 0 0.9917 0.8583 0.0000 N 0 0 3.3125 -0.8000 0.0000 C 0 0 -1.8458 0.2458 0.0000 C 0 0 2.4917 -0.7167 0.0000 C 0 0 1.3375 0.1083 0.0000 C 0 0 2.1500 0.0333 0.0000 C 0 0 3.6500 -1.5500 0.0000 O 0 0 -2.5583 0.6583 0.0000 C 0 0 -1.8458 -0.5792 0.0000 C 0 0 3.7917 -0.1292 0.0000 O 0 0 -3.2708 -0.5792 0.0000 C 0 0 0.0917 2.4125 0.0000 C 0 0 -2.5583 -0.9917 0.0000 C 0 0 -3.2708 0.2458 0.0000 C 0 0 -3.9875 -0.9917 0.0000 Cl 0 0 2.0042 -1.3917 0.0000 C 0 0 1.1875 -1.3042 0.0000 C 0 0 0.8500 -0.5542 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 9 1 0 8 4 1 0 9 11 2 0 10 6 1 0 11 10 1 0 12 7 2 0 13 8 2 0 14 8 1 0 15 7 1 0 16 18 1 0 17 5 1 0 18 14 2 0 19 13 1 0 20 16 1 0 21 22 2 0 22 23 1 0 23 10 2 0 4 3 2 0 9 21 1 0 19 16 2 0 M END > CHEMBL185604 > 1 $$$$ CHEMBL263311 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 -0.3875 1.0208 0.0000 C 0 0 -0.9375 0.4083 0.0000 S 0 0 3.2917 -0.1042 0.0000 N 0 0 -1.6125 1.5625 0.0000 N 0 0 -1.6958 0.7458 0.0000 C 0 0 -0.8000 1.7458 0.0000 N 0 0 2.7500 -0.7167 0.0000 C 0 0 3.1625 -1.4292 0.0000 N 0 0 4.0500 -0.4292 0.0000 C 0 0 0.4292 0.9333 0.0000 N 0 0 3.9750 -1.2542 0.0000 O 0 0 1.9292 -0.6417 0.0000 C 0 0 -2.4000 0.3208 0.0000 C 0 0 0.7750 0.1833 0.0000 C 0 0 1.5875 0.1083 0.0000 C 0 0 -3.1208 0.7458 0.0000 C 0 0 -2.4000 -0.5042 0.0000 C 0 0 4.7625 -0.0167 0.0000 O 0 0 -3.8333 -0.5042 0.0000 C 0 0 -0.4708 2.4875 0.0000 C 0 0 -3.1208 -0.9167 0.0000 C 0 0 -3.8333 0.3208 0.0000 C 0 0 -4.5500 -0.9167 0.0000 Cl 0 0 1.4500 -1.3167 0.0000 C 0 0 0.6250 -1.2292 0.0000 C 0 0 0.2875 -0.4792 0.0000 C 0 0 2 1 1 0 3 7 1 0 4 6 1 0 5 2 1 0 6 1 1 0 7 12 1 0 8 7 2 0 9 3 2 0 10 1 2 0 11 8 1 0 12 15 2 0 13 5 1 0 14 10 1 0 15 14 1 0 16 13 2 0 17 13 1 0 18 9 1 0 19 21 1 0 20 6 1 0 21 17 2 0 22 16 1 0 23 19 1 0 24 25 2 0 25 26 1 0 26 14 2 0 5 4 2 0 12 24 1 0 22 19 2 0 9 11 1 0 M END > CHEMBL263311 > 1 $$$$ CHEMBL185203 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -0.1958 1.0333 0.0000 C 0 0 -0.7458 0.4208 0.0000 S 0 0 -1.4208 1.5750 0.0000 N 0 0 -1.5000 0.7583 0.0000 C 0 0 -0.6083 1.7583 0.0000 N 0 0 4.2542 -0.5375 0.0000 N 0 0 2.9375 -0.7542 0.0000 C 0 0 4.1292 -1.3542 0.0000 N 0 0 3.5167 -0.1667 0.0000 N 0 0 0.6250 0.9500 0.0000 N 0 0 3.3167 -1.4875 0.0000 N 0 0 2.1250 -0.6292 0.0000 C 0 0 -2.2083 0.3375 0.0000 C 0 0 0.9667 0.2000 0.0000 C 0 0 1.7792 0.1208 0.0000 C 0 0 -2.9250 0.7500 0.0000 C 0 0 -2.2083 -0.4917 0.0000 C 0 0 -3.6375 -0.4917 0.0000 C 0 0 -0.2750 2.5083 0.0000 C 0 0 -3.6375 0.3375 0.0000 C 0 0 -2.9250 -0.9042 0.0000 C 0 0 -4.3583 -0.9042 0.0000 Cl 0 0 1.6417 -1.3042 0.0000 C 0 0 0.8167 -1.2167 0.0000 C 0 0 0.4792 -0.4667 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 9 2 0 7 12 1 0 8 11 1 0 9 7 1 0 10 1 2 0 11 7 2 0 12 15 2 0 13 4 1 0 14 10 1 0 15 14 1 0 16 13 2 0 17 13 1 0 18 21 1 0 19 5 1 0 20 16 1 0 21 17 2 0 22 18 1 0 23 24 2 0 24 25 1 0 25 14 2 0 4 3 2 0 12 23 1 0 20 18 2 0 8 6 1 0 M END > CHEMBL185203 > 1 $$$$ CHEMBL360874 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 0.0167 1.1083 0.0000 C 0 0 -0.5333 0.4958 0.0000 S 0 0 -1.2000 1.6500 0.0000 N 0 0 -1.2833 0.8333 0.0000 C 0 0 -0.3958 1.8333 0.0000 N 0 0 0.8417 1.0250 0.0000 N 0 0 -1.9958 0.4125 0.0000 C 0 0 3.4542 -1.4417 0.0000 C 0 0 1.1792 0.2750 0.0000 C 0 0 4.2667 -1.5667 0.0000 O 0 0 2.3417 -0.5542 0.0000 C 0 0 -1.9958 -0.4167 0.0000 C 0 0 -2.7083 0.8250 0.0000 C 0 0 3.1542 -0.6792 0.0000 C 0 0 2.0000 0.1958 0.0000 C 0 0 -3.4208 -0.4167 0.0000 C 0 0 -0.0583 2.5833 0.0000 C 0 0 2.9292 -2.0917 0.0000 O 0 0 -3.4208 0.4125 0.0000 C 0 0 -2.7083 -0.8292 0.0000 C 0 0 -4.1458 -0.8292 0.0000 Cl 0 0 1.0292 -1.1417 0.0000 C 0 0 0.7000 -0.3917 0.0000 C 0 0 1.8542 -1.2292 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 4 1 0 8 14 1 0 9 6 1 0 10 8 2 0 11 15 2 0 12 7 1 0 13 7 2 0 14 11 1 0 15 9 1 0 16 19 2 0 17 5 1 0 18 8 1 0 19 13 1 0 20 12 2 0 21 16 1 0 22 23 1 0 23 9 2 0 24 22 2 0 4 3 2 0 11 24 1 0 20 16 1 0 M END > CHEMBL360874 > 1 $$$$ CHEMBL363709 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 0.3250 0.9083 0.0000 C 0 0 -0.2250 0.2958 0.0000 S 0 0 -0.9000 1.4458 0.0000 N 0 0 -0.9833 0.6333 0.0000 C 0 0 -0.0875 1.6333 0.0000 N 0 0 1.1417 0.8208 0.0000 N 0 0 4.2875 -0.9167 0.0000 N 0 0 -1.6875 0.2083 0.0000 C 0 0 3.4625 -0.8375 0.0000 C 0 0 1.4875 0.0750 0.0000 C 0 0 -2.4083 0.6208 0.0000 C 0 0 -1.6875 -0.6167 0.0000 C 0 0 2.6417 -0.7542 0.0000 C 0 0 2.3000 -0.0042 0.0000 C 0 0 -3.1208 -0.6167 0.0000 C 0 0 0.2417 2.3833 0.0000 C 0 0 -3.1208 0.2083 0.0000 C 0 0 -2.4083 -1.0292 0.0000 C 0 0 -3.8375 -1.0292 0.0000 Cl 0 0 1.3375 -1.3417 0.0000 C 0 0 1.0000 -0.5917 0.0000 C 0 0 2.1625 -1.4292 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 9 3 0 8 4 1 0 9 13 1 0 10 6 1 0 11 8 2 0 12 8 1 0 13 14 2 0 14 10 1 0 15 18 1 0 16 5 1 0 17 11 1 0 18 12 2 0 19 15 1 0 20 21 1 0 21 10 2 0 22 20 2 0 4 3 2 0 13 22 1 0 17 15 2 0 M END > CHEMBL363709 > 0 $$$$ CHEMBL184960 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 0.1750 0.9458 0.0000 C 0 0 -0.3750 0.3333 0.0000 S 0 0 -1.0500 1.4833 0.0000 N 0 0 -1.1333 0.6708 0.0000 C 0 0 -0.2375 1.6708 0.0000 N 0 0 0.9917 0.8583 0.0000 N 0 0 3.3125 -0.7917 0.0000 C 0 0 -1.8458 0.2458 0.0000 C 0 0 2.4917 -0.7167 0.0000 C 0 0 1.3375 0.1083 0.0000 C 0 0 2.1500 0.0333 0.0000 C 0 0 3.7917 -0.1292 0.0000 O 0 0 -1.8458 -0.5792 0.0000 C 0 0 -2.5583 0.6583 0.0000 C 0 0 3.6500 -1.5417 0.0000 N 0 0 -3.2708 -0.5792 0.0000 C 0 0 0.0917 2.4208 0.0000 C 0 0 -3.2708 0.2458 0.0000 C 0 0 -2.5583 -0.9917 0.0000 C 0 0 -3.9875 -0.9917 0.0000 Cl 0 0 2.0042 -1.3917 0.0000 C 0 0 1.1875 -1.3042 0.0000 C 0 0 0.8500 -0.5542 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 9 1 0 8 4 1 0 9 11 2 0 10 6 1 0 11 10 1 0 12 7 2 0 13 8 1 0 14 8 2 0 15 7 1 0 16 18 2 0 17 5 1 0 18 14 1 0 19 13 2 0 20 16 1 0 21 22 2 0 22 23 1 0 23 10 2 0 4 3 2 0 9 21 1 0 19 16 1 0 M END > CHEMBL184960 > 1 $$$$ CHEMBL365206 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 0.5292 0.8625 0.0000 C 0 0 -0.0208 0.2500 0.0000 S 0 0 -0.6958 1.4083 0.0000 N 0 0 -0.7750 0.5875 0.0000 C 0 0 0.1167 1.5875 0.0000 N 0 0 1.3500 0.7833 0.0000 N 0 0 -1.4833 0.1708 0.0000 C 0 0 1.6917 0.0333 0.0000 C 0 0 2.5042 -0.0500 0.0000 C 0 0 -2.2000 0.5833 0.0000 C 0 0 -1.4833 -0.6625 0.0000 C 0 0 2.8500 -0.8000 0.0000 C 0 0 -2.9125 -0.6625 0.0000 C 0 0 0.4500 2.3375 0.0000 C 0 0 -2.2000 -1.0750 0.0000 C 0 0 -2.9125 0.1708 0.0000 C 0 0 3.6667 -0.8750 0.0000 F 0 0 -3.6333 -1.0750 0.0000 Cl 0 0 1.5417 -1.3875 0.0000 C 0 0 1.2042 -0.6375 0.0000 C 0 0 2.3667 -1.4750 0.0000 C 0 0 2 1 1 0 3 5 1 0 4 2 1 0 5 1 1 0 6 1 2 0 7 4 1 0 8 6 1 0 9 8 1 0 10 7 2 0 11 7 1 0 12 9 2 0 13 15 1 0 14 5 1 0 15 11 2 0 16 10 1 0 17 12 1 0 18 13 1 0 19 20 1 0 20 8 2 0 21 19 2 0 4 3 2 0 12 21 1 0 16 13 2 0 M END > CHEMBL365206 > 0 $$$$ CHEMBL182703 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 0.5167 -0.1917 0.0000 C 0 0 0.5167 -1.0167 0.0000 C 0 0 1.9542 -1.0167 0.0000 C 0 0 1.2375 0.2208 0.0000 C 0 0 1.2375 -1.4292 0.0000 N 0 0 1.9542 -0.1917 0.0000 N 0 0 -0.1875 0.2208 0.0000 C 0 0 -0.1875 -1.4292 0.0000 C 0 0 -0.9000 -0.1917 0.0000 C 0 0 -0.9000 -1.0167 0.0000 C 0 0 2.6667 -1.4292 0.0000 O 0 0 -1.6208 0.2208 0.0000 C 0 0 -0.1875 -2.2542 0.0000 Cl 0 0 0.5292 0.6333 0.0000 C 0 0 1.9500 0.6333 0.0000 C 0 0 -1.6125 1.0458 0.0000 C 0 0 -2.3250 -0.1917 0.0000 C 0 0 1.9500 1.4583 0.0000 C 0 0 0.5292 1.4583 0.0000 C 0 0 -2.3333 1.4583 0.0000 C 0 0 -3.0458 0.2083 0.0000 C 0 0 1.2375 1.8708 0.0000 C 0 0 -3.0458 1.0458 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 9 2 0 11 3 2 0 12 9 1 0 13 8 1 0 14 4 1 0 15 4 1 0 16 12 2 0 17 12 1 0 18 15 1 0 19 14 1 0 20 16 1 0 21 17 2 0 22 18 1 0 23 21 1 0 5 3 1 0 8 10 1 0 19 22 1 0 20 23 2 0 M END > CHEMBL182703 > 0 $$$$ CHEMBL361469 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 0.5167 -0.1917 0.0000 C 0 0 0.5167 -1.0167 0.0000 C 0 0 1.9542 -1.0167 0.0000 C 0 0 1.2375 0.2208 0.0000 C 0 0 1.2375 -1.4292 0.0000 N 0 0 1.9542 -0.1917 0.0000 N 0 0 -0.1875 0.2208 0.0000 C 0 0 -0.1875 -1.4292 0.0000 C 0 0 -0.9000 -0.1917 0.0000 C 0 0 -0.9000 -1.0167 0.0000 C 0 0 -1.6208 0.2208 0.0000 C 0 0 2.6667 -1.4292 0.0000 O 0 0 -2.3250 -0.1917 0.0000 N 0 0 -0.1875 -2.2542 0.0000 Cl 0 0 0.5292 0.6333 0.0000 C 0 0 1.9500 0.6333 0.0000 C 0 0 -3.0458 0.2083 0.0000 C 0 0 -1.6125 1.0458 0.0000 C 0 0 1.9500 1.4583 0.0000 C 0 0 0.5292 1.4583 0.0000 C 0 0 -3.0458 1.0458 0.0000 C 0 0 -2.3333 1.4583 0.0000 C 0 0 1.2375 1.8708 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 9 2 0 11 9 1 0 12 3 2 0 13 11 1 0 14 8 1 0 15 4 1 0 16 4 1 0 17 13 2 0 18 11 2 0 19 16 1 0 20 15 1 0 21 22 2 0 22 18 1 0 23 19 1 0 5 3 1 0 8 10 1 0 20 23 1 0 17 21 1 0 M END > CHEMBL361469 > 0 $$$$ CHEMBL184945 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 0.5167 -0.1917 0.0000 C 0 0 0.5167 -1.0167 0.0000 C 0 0 1.9542 -1.0167 0.0000 C 0 0 1.2375 0.2208 0.0000 C 0 0 1.2375 -1.4292 0.0000 N 0 0 1.9542 -0.1917 0.0000 N 0 0 -0.1875 0.2208 0.0000 C 0 0 -0.1875 -1.4292 0.0000 C 0 0 -0.9000 -0.1917 0.0000 C 0 0 -0.9000 -1.0167 0.0000 C 0 0 2.6667 -1.4292 0.0000 O 0 0 -1.6208 0.2208 0.0000 C 0 0 -3.0458 0.2083 0.0000 N 0 0 -0.1875 -2.2542 0.0000 Cl 0 0 0.5292 0.6333 0.0000 C 0 0 1.9500 0.6333 0.0000 C 0 0 -2.3250 -0.1917 0.0000 C 0 0 -3.0458 1.0458 0.0000 C 0 0 -1.6125 1.0458 0.0000 C 0 0 0.5292 1.4583 0.0000 C 0 0 1.9500 1.4583 0.0000 C 0 0 -2.3333 1.4583 0.0000 C 0 0 1.2375 1.8708 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 9 2 0 11 3 2 0 12 9 1 0 13 17 2 0 14 8 1 0 15 4 1 0 16 4 1 0 17 12 1 0 18 22 2 0 19 12 2 0 20 15 1 0 21 16 1 0 22 19 1 0 23 21 1 0 5 3 1 0 8 10 1 0 20 23 1 0 13 18 1 0 M END > CHEMBL184945 > 0 $$$$ CHEMBL185208 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 0.5167 -0.1917 0.0000 C 0 0 0.5167 -1.0167 0.0000 C 0 0 1.9542 -1.0167 0.0000 C 0 0 1.2375 0.2208 0.0000 C 0 0 1.2375 -1.4292 0.0000 N 0 0 1.9542 -0.1917 0.0000 N 0 0 -0.1875 0.2208 0.0000 C 0 0 -0.1875 -1.4292 0.0000 C 0 0 -0.9000 -0.1917 0.0000 C 0 0 -0.9000 -1.0167 0.0000 C 0 0 2.6667 -1.4292 0.0000 O 0 0 -3.0458 1.0458 0.0000 N 0 0 -1.6208 0.2208 0.0000 C 0 0 -0.1875 -2.2542 0.0000 Cl 0 0 0.5292 0.6333 0.0000 C 0 0 1.9500 0.6333 0.0000 C 0 0 -3.0458 0.2083 0.0000 C 0 0 -2.3333 1.4583 0.0000 C 0 0 -2.3250 -0.1917 0.0000 C 0 0 -1.6125 1.0458 0.0000 C 0 0 1.9500 1.4583 0.0000 C 0 0 0.5292 1.4583 0.0000 C 0 0 1.2375 1.8708 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 9 2 0 11 3 2 0 12 18 2 0 13 9 1 0 14 8 1 0 15 4 1 0 16 4 1 0 17 19 2 0 18 20 1 0 19 13 1 0 20 13 2 0 21 16 1 0 22 15 1 0 23 21 1 0 5 3 1 0 8 10 1 0 22 23 1 0 17 12 1 0 M END > CHEMBL185208 > 0 $$$$ CHEMBL185304 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 0.9792 -0.3750 0.0000 C 0 0 0.9792 -1.2042 0.0000 C 0 0 2.4167 -1.2042 0.0000 C 0 0 1.7000 0.0375 0.0000 C 0 0 1.7000 -1.6167 0.0000 N 0 0 2.4167 -0.3792 0.0000 N 0 0 0.2750 0.0333 0.0000 C 0 0 0.2750 -1.6167 0.0000 C 0 0 -0.4458 -0.3792 0.0000 C 0 0 -3.3000 1.2708 0.0000 C 0 0 -0.4458 -1.2042 0.0000 C 0 0 -1.1583 0.0333 0.0000 C 0 0 -2.5833 0.8583 0.0000 C 0 0 3.1292 -1.6167 0.0000 O 0 0 -3.3000 2.0958 0.0000 O 0 0 -1.8708 1.2708 0.0000 C 0 0 -1.8625 -0.3792 0.0000 C 0 0 -1.1583 0.8583 0.0000 C 0 0 -2.5833 0.0250 0.0000 C 0 0 0.2750 -2.4417 0.0000 Cl 0 0 -4.0208 0.8583 0.0000 O 0 0 0.9917 0.4458 0.0000 C 0 0 2.4042 0.4458 0.0000 C 0 0 2.4042 1.2708 0.0000 C 0 0 0.9917 1.2708 0.0000 C 0 0 1.7000 1.6833 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 13 1 0 11 9 2 0 12 9 1 0 13 16 2 0 14 3 2 0 15 10 2 0 16 18 1 0 17 12 1 0 18 12 2 0 19 17 2 0 20 8 1 0 21 10 1 0 22 4 1 0 23 4 1 0 24 23 1 0 25 22 1 0 26 24 1 0 5 3 1 0 8 11 1 0 25 26 1 0 19 13 1 0 M END > CHEMBL185304 > 0 $$$$ CHEMBL427505 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 0.9792 -0.1500 0.0000 C 0 0 0.9792 -0.9792 0.0000 C 0 0 2.4167 -0.9792 0.0000 C 0 0 1.7000 0.2625 0.0000 C 0 0 1.7000 -1.3917 0.0000 N 0 0 2.4167 -0.1542 0.0000 N 0 0 0.2667 0.2583 0.0000 C 0 0 -0.4458 -0.1542 0.0000 C 0 0 0.2667 -1.3917 0.0000 C 0 0 -3.2958 -0.1542 0.0000 C 0 0 -0.4458 -0.9792 0.0000 C 0 0 -1.1583 0.2583 0.0000 C 0 0 -2.5833 0.2500 0.0000 C 0 0 -1.8625 -0.1542 0.0000 C 0 0 3.1292 -1.3917 0.0000 O 0 0 -4.0208 0.2458 0.0000 O 0 0 0.2667 -2.2167 0.0000 Cl 0 0 -3.2958 -0.9875 0.0000 O 0 0 0.9917 0.6708 0.0000 C 0 0 2.4042 0.6708 0.0000 C 0 0 -2.5833 1.0833 0.0000 C 0 0 -1.1583 1.0833 0.0000 C 0 0 -1.8708 1.4958 0.0000 C 0 0 2.4042 1.4958 0.0000 C 0 0 0.9917 1.4958 0.0000 C 0 0 1.7000 1.9083 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 7 1 0 9 2 2 0 10 13 1 0 11 8 2 0 12 8 1 0 13 14 2 0 14 12 1 0 15 3 2 0 16 10 2 0 17 9 1 0 18 10 1 0 19 4 1 0 20 4 1 0 21 23 2 0 22 12 2 0 23 22 1 0 24 20 1 0 25 19 1 0 26 24 1 0 5 3 1 0 9 11 1 0 25 26 1 0 13 21 1 0 M END > CHEMBL427505 > 0 $$$$ CHEMBL185588 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 1.5042 0.3208 0.0000 C 0 0 1.5042 -0.5125 0.0000 C 0 0 -1.3458 -0.5167 0.0000 C 0 0 2.9417 -0.5167 0.0000 C 0 0 2.2292 0.7375 0.0000 C 0 0 2.2167 -0.9167 0.0000 N 0 0 2.9417 0.3125 0.0000 N 0 0 0.0792 0.3125 0.0000 C 0 0 -1.3458 0.3083 0.0000 C 0 0 -2.0583 -0.9292 0.0000 N 0 0 0.7917 0.7250 0.0000 C 0 0 -0.6333 0.7208 0.0000 C 0 0 0.7917 -0.9292 0.0000 C 0 0 0.0792 -0.5167 0.0000 C 0 0 -3.4833 -1.7542 0.0000 N 0 0 -0.6208 -0.9167 0.0000 O 0 0 3.6542 -0.9292 0.0000 O 0 0 -2.0458 -1.7542 0.0000 C 0 0 -2.7708 -0.5167 0.0000 C 0 0 -2.7583 -2.1625 0.0000 C 0 0 -3.4833 -0.9292 0.0000 C 0 0 0.7917 -1.7542 0.0000 Cl 0 0 1.5167 1.1375 0.0000 C 0 0 2.9417 1.1375 0.0000 C 0 0 -2.0583 0.7208 0.0000 C 0 0 -0.6333 1.5458 0.0000 C 0 0 -4.1958 -2.1625 0.0000 C 0 0 2.9417 1.9625 0.0000 C 0 0 1.5167 1.9625 0.0000 C 0 0 -2.0583 1.5458 0.0000 C 0 0 -1.3458 1.9625 0.0000 C 0 0 2.2292 2.3708 0.0000 C 0 0 2 1 1 0 3 9 1 0 4 7 1 0 5 1 1 0 6 2 1 0 7 5 1 0 8 11 1 0 9 12 1 0 10 3 1 0 11 1 2 0 12 8 1 0 13 2 2 0 14 8 2 0 15 21 1 0 16 3 2 0 17 4 2 0 18 10 1 0 19 10 1 0 20 18 1 0 21 19 1 0 22 13 1 0 23 5 1 0 24 5 1 0 25 9 2 0 26 12 2 0 27 15 1 0 28 24 1 0 29 23 1 0 30 31 2 0 31 26 1 0 32 28 1 0 6 4 1 0 13 14 1 0 29 32 1 0 25 30 1 0 20 15 1 0 M END > CHEMBL185588 > 0 $$$$ CHEMBL185296 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 0.9792 -0.3750 0.0000 C 0 0 0.9792 -1.2000 0.0000 C 0 0 2.4167 -1.2042 0.0000 C 0 0 1.7000 0.0458 0.0000 C 0 0 1.7000 -1.6042 0.0000 N 0 0 2.4167 -0.3750 0.0000 N 0 0 0.2750 0.0458 0.0000 C 0 0 0.2750 -1.6167 0.0000 C 0 0 -0.4458 -0.3750 0.0000 C 0 0 -3.3000 1.2708 0.0000 C 0 0 -0.4458 -1.2042 0.0000 C 0 0 -1.1625 0.0333 0.0000 C 0 0 -2.5833 0.8583 0.0000 C 0 0 3.1250 -1.6167 0.0000 O 0 0 -3.3000 2.0958 0.0000 O 0 0 -1.8750 1.2708 0.0000 C 0 0 -1.8625 -0.3792 0.0000 C 0 0 -1.1583 0.8583 0.0000 C 0 0 -2.5833 0.0250 0.0000 C 0 0 -4.0083 0.8583 0.0000 N 0 0 0.2750 -2.4417 0.0000 Cl 0 0 0.9917 0.4458 0.0000 C 0 0 2.4167 0.4458 0.0000 C 0 0 2.4167 1.2708 0.0000 C 0 0 0.9917 1.2708 0.0000 C 0 0 1.7000 1.6833 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 13 1 0 11 9 2 0 12 9 1 0 13 16 2 0 14 3 2 0 15 10 2 0 16 18 1 0 17 12 1 0 18 12 2 0 19 17 2 0 20 10 1 0 21 8 1 0 22 4 1 0 23 4 1 0 24 23 1 0 25 22 1 0 26 24 1 0 5 3 1 0 8 11 1 0 25 26 1 0 19 13 1 0 M END > CHEMBL185296 > 1 $$$$ CHEMBL366149 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 1.7167 -0.2167 0.0000 C 0 0 1.7167 -1.0417 0.0000 C 0 0 3.1542 -1.0500 0.0000 C 0 0 2.4375 0.1958 0.0000 C 0 0 2.4375 -1.4542 0.0000 N 0 0 3.1542 -0.2167 0.0000 N 0 0 1.0125 0.1958 0.0000 C 0 0 1.0125 -1.4625 0.0000 C 0 0 0.3000 -0.2167 0.0000 C 0 0 -2.5625 1.4208 0.0000 C 0 0 0.3000 -1.0500 0.0000 C 0 0 -0.4208 0.1875 0.0000 C 0 0 -1.8458 1.0125 0.0000 C 0 0 3.8667 -1.4625 0.0000 O 0 0 -2.5625 2.2500 0.0000 O 0 0 -1.1333 1.4208 0.0000 C 0 0 -1.1250 -0.2167 0.0000 C 0 0 -0.4125 1.0125 0.0000 C 0 0 -1.8458 0.1833 0.0000 C 0 0 -3.2708 1.0125 0.0000 N 0 0 1.0125 -2.2875 0.0000 Cl 0 0 -3.9833 -1.0500 0.0000 N 0 0 1.7292 0.6000 0.0000 C 0 0 3.1542 0.6000 0.0000 C 0 0 -3.2708 0.1875 0.0000 C 0 0 -3.9833 -0.2167 0.0000 C 0 0 -4.7083 -1.4667 0.0000 C 0 0 -3.2708 -1.4625 0.0000 C 0 0 3.1542 1.4208 0.0000 C 0 0 1.7292 1.4208 0.0000 C 0 0 2.4375 1.8375 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 13 1 0 11 9 2 0 12 9 1 0 13 16 2 0 14 3 2 0 15 10 2 0 16 18 1 0 17 12 1 0 18 12 2 0 19 17 2 0 20 10 1 0 21 8 1 0 22 26 1 0 23 4 1 0 24 4 1 0 25 20 1 0 26 25 1 0 27 22 1 0 28 22 1 0 29 24 1 0 30 23 1 0 31 29 1 0 5 3 1 0 8 11 1 0 30 31 1 0 19 13 1 0 M END > CHEMBL366149 > 0 $$$$ CHEMBL363084 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 1.3000 0.2375 0.0000 C 0 0 1.3000 -0.6000 0.0000 C 0 0 2.7375 -0.6000 0.0000 C 0 0 2.0167 0.6500 0.0000 C 0 0 2.0042 -1.0042 0.0000 N 0 0 2.7375 0.2333 0.0000 N 0 0 0.5875 0.6458 0.0000 C 0 0 -0.1250 0.2333 0.0000 C 0 0 0.5875 -1.0125 0.0000 C 0 0 -2.9750 0.2250 0.0000 C 0 0 -0.1250 -0.6000 0.0000 C 0 0 -0.8458 0.6375 0.0000 C 0 0 -2.2625 0.6375 0.0000 C 0 0 -1.5500 0.2250 0.0000 C 0 0 3.4500 -1.0125 0.0000 O 0 0 -3.6958 0.6250 0.0000 O 0 0 -2.9625 -0.6000 0.0000 N 0 0 0.5875 -1.8375 0.0000 Cl 0 0 -1.5125 -2.2292 0.0000 N 0 0 1.3125 1.0500 0.0000 C 0 0 2.7292 1.0500 0.0000 C 0 0 -2.2458 -1.0000 0.0000 C 0 0 -0.8458 1.4625 0.0000 C 0 0 -2.2625 1.4625 0.0000 C 0 0 -1.5500 1.8750 0.0000 C 0 0 -2.2333 -1.8250 0.0000 C 0 0 -1.5000 -3.0542 0.0000 C 0 0 -0.8083 -1.8125 0.0000 C 0 0 1.3125 1.8750 0.0000 C 0 0 2.7292 1.8750 0.0000 C 0 0 2.0167 2.2875 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 7 1 0 9 2 2 0 10 13 1 0 11 8 2 0 12 8 1 0 13 14 2 0 14 12 1 0 15 3 2 0 16 10 2 0 17 10 1 0 18 9 1 0 19 26 1 0 20 4 1 0 21 4 1 0 22 17 1 0 23 12 2 0 24 25 2 0 25 23 1 0 26 22 1 0 27 19 1 0 28 19 1 0 29 20 1 0 30 21 1 0 31 30 1 0 5 3 1 0 9 11 1 0 29 31 1 0 13 24 1 0 M END > CHEMBL363084 > 0 $$$$ CHEMBL427513 SciTegic12291823182D 32 35 0 0 0 0 999 V2000 1.9292 -0.1542 0.0000 C 0 0 1.9292 -0.9875 0.0000 C 0 0 3.3667 -0.9917 0.0000 C 0 0 2.6542 0.2583 0.0000 C 0 0 2.6417 -1.4000 0.0000 N 0 0 3.3667 -0.1542 0.0000 N 0 0 1.2167 0.2500 0.0000 C 0 0 1.2167 -1.4042 0.0000 C 0 0 0.5042 -0.1542 0.0000 C 0 0 -2.3583 1.4833 0.0000 C 0 0 0.5042 -0.9917 0.0000 C 0 0 -0.2000 0.2458 0.0000 C 0 0 -1.6333 1.0708 0.0000 C 0 0 4.0792 -1.4042 0.0000 O 0 0 -2.3583 2.3083 0.0000 O 0 0 -0.9208 1.4833 0.0000 C 0 0 -0.9208 -0.1667 0.0000 C 0 0 -0.2000 1.0708 0.0000 C 0 0 -1.6333 0.2458 0.0000 C 0 0 -3.0583 1.0708 0.0000 N 0 0 1.2167 -2.2292 0.0000 Cl 0 0 -4.4833 -1.4042 0.0000 N 0 0 1.9417 0.6583 0.0000 C 0 0 3.3667 0.6583 0.0000 C 0 0 -3.7708 -0.1667 0.0000 C 0 0 -3.0583 0.2458 0.0000 C 0 0 -3.7708 -0.9917 0.0000 C 0 0 -4.4833 -2.2292 0.0000 C 0 0 -5.2083 -0.9917 0.0000 C 0 0 1.9417 1.4833 0.0000 C 0 0 3.3667 1.4833 0.0000 C 0 0 2.6542 1.8958 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 2 2 0 9 7 1 0 10 13 1 0 11 9 2 0 12 9 1 0 13 16 2 0 14 3 2 0 15 10 2 0 16 18 1 0 17 12 1 0 18 12 2 0 19 17 2 0 20 10 1 0 21 8 1 0 22 27 1 0 23 4 1 0 24 4 1 0 25 26 1 0 26 20 1 0 27 25 1 0 28 22 1 0 29 22 1 0 30 23 1 0 31 24 1 0 32 31 1 0 5 3 1 0 8 11 1 0 30 32 1 0 19 13 1 0 M END > CHEMBL427513 > 0 $$$$ CHEMBL182617 SciTegic12291823182D 32 35 0 0 0 0 999 V2000 1.3792 0.3958 0.0000 C 0 0 1.3792 -0.4292 0.0000 C 0 0 2.8125 -0.4292 0.0000 C 0 0 2.1000 0.8083 0.0000 C 0 0 2.1000 -0.8417 0.0000 N 0 0 2.8125 0.3958 0.0000 N 0 0 0.6625 0.8083 0.0000 C 0 0 -0.0500 0.3958 0.0000 C 0 0 0.6625 -0.8417 0.0000 C 0 0 -2.9000 0.3833 0.0000 C 0 0 -0.0500 -0.4292 0.0000 C 0 0 -0.7625 0.8083 0.0000 C 0 0 -2.1875 0.8000 0.0000 C 0 0 -1.4750 0.3958 0.0000 C 0 0 3.5250 -0.8542 0.0000 O 0 0 -3.6125 0.8000 0.0000 O 0 0 -2.9000 -0.4417 0.0000 N 0 0 0.6667 -1.6667 0.0000 Cl 0 0 -1.4875 -2.9167 0.0000 N 0 0 1.3875 1.2208 0.0000 C 0 0 2.8125 1.2208 0.0000 C 0 0 -2.1958 -1.6792 0.0000 C 0 0 -0.7625 1.6333 0.0000 C 0 0 -2.1875 1.6333 0.0000 C 0 0 -1.4750 2.0458 0.0000 C 0 0 -2.1875 -0.8542 0.0000 C 0 0 -1.4833 -2.0917 0.0000 C 0 0 -0.7750 -3.3375 0.0000 C 0 0 -2.2000 -3.3292 0.0000 C 0 0 2.8125 2.0458 0.0000 C 0 0 1.3875 2.0458 0.0000 C 0 0 2.1000 2.4583 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 1 2 0 8 7 1 0 9 2 2 0 10 13 1 0 11 8 2 0 12 8 1 0 13 14 2 0 14 12 1 0 15 3 2 0 16 10 2 0 17 10 1 0 18 9 1 0 19 27 1 0 20 4 1 0 21 4 1 0 22 26 1 0 23 12 2 0 24 25 2 0 25 23 1 0 26 17 1 0 27 22 1 0 28 19 1 0 29 19 1 0 30 21 1 0 31 20 1 0 32 30 1 0 5 3 1 0 9 11 1 0 31 32 1 0 13 24 1 0 M END > CHEMBL182617 > 0 $$$$ CHEMBL183465 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 1.6125 -0.9917 0.0000 C 0 0 1.6125 -1.8292 0.0000 C 0 0 3.0375 -1.8292 0.0000 C 0 0 2.3167 -0.5792 0.0000 C 0 0 2.3167 -2.2375 0.0000 N 0 0 3.0375 -0.9917 0.0000 N 0 0 -2.6708 0.6458 0.0000 C 0 0 -2.6833 1.4708 0.0000 N 0 0 0.8917 -0.5917 0.0000 C 0 0 0.9000 -2.2375 0.0000 C 0 0 0.1792 -1.0000 0.0000 C 0 0 0.1792 -1.8292 0.0000 C 0 0 -2.7083 3.1208 0.0000 N 0 0 -1.9708 0.2375 0.0000 C 0 0 -0.5333 -0.5917 0.0000 C 0 0 3.7542 -2.2417 0.0000 O 0 0 -3.3833 0.2208 0.0000 O 0 0 -3.4083 1.8708 0.0000 C 0 0 -1.9833 1.8958 0.0000 C 0 0 -1.9708 -0.5917 0.0000 C 0 0 -1.2458 0.6458 0.0000 C 0 0 -1.2458 -1.0000 0.0000 C 0 0 -0.5333 0.2375 0.0000 C 0 0 -3.4208 2.7083 0.0000 C 0 0 -1.9875 2.7083 0.0000 C 0 0 0.9000 -3.0625 0.0000 Cl 0 0 1.6167 -0.1792 0.0000 C 0 0 3.0375 -0.1792 0.0000 C 0 0 -2.7208 3.9458 0.0000 C 0 0 3.0375 0.6458 0.0000 C 0 0 1.6167 0.6458 0.0000 C 0 0 2.3167 1.0625 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 14 1 0 8 7 1 0 9 1 2 0 10 2 2 0 11 9 1 0 12 11 2 0 13 25 1 0 14 21 2 0 15 11 1 0 16 3 2 0 17 7 2 0 18 8 1 0 19 8 1 0 20 22 2 0 21 23 1 0 22 15 1 0 23 15 2 0 24 18 1 0 25 19 1 0 26 10 1 0 27 4 1 0 28 4 1 0 29 13 1 0 30 28 1 0 31 27 1 0 32 30 1 0 5 3 1 0 10 12 1 0 31 32 1 0 20 14 1 0 24 13 1 0 M END > CHEMBL183465 > 0 $$$$ CHEMBL185370 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 1.9292 -0.3250 0.0000 C 0 0 1.9292 -1.1500 0.0000 C 0 0 3.3625 -1.1500 0.0000 C 0 0 2.6417 0.0958 0.0000 C 0 0 2.6417 -1.5542 0.0000 N 0 0 3.3625 -0.3250 0.0000 N 0 0 -2.3458 -0.3375 0.0000 C 0 0 -3.0583 0.0958 0.0000 N 0 0 1.2167 0.0875 0.0000 C 0 0 0.5042 -0.3250 0.0000 C 0 0 1.2167 -1.5542 0.0000 C 0 0 -1.6333 0.0833 0.0000 C 0 0 0.5042 -1.1500 0.0000 C 0 0 -0.2083 0.0875 0.0000 C 0 0 -0.9208 -0.3250 0.0000 C 0 0 -4.4708 0.9500 0.0000 N 0 0 4.0792 -1.5667 0.0000 O 0 0 -2.3708 -1.1542 0.0000 O 0 0 -3.7750 -0.3125 0.0000 C 0 0 -3.0375 0.9125 0.0000 C 0 0 -4.4833 0.1250 0.0000 C 0 0 -3.7375 1.3458 0.0000 C 0 0 1.2167 -2.3875 0.0000 Cl 0 0 1.9375 0.5000 0.0000 C 0 0 3.3625 0.5000 0.0000 C 0 0 -1.6375 0.9125 0.0000 C 0 0 -5.1708 1.3750 0.0000 C 0 0 -0.2083 0.9125 0.0000 C 0 0 -0.9208 1.3250 0.0000 C 0 0 1.9375 1.3250 0.0000 C 0 0 3.3625 1.3250 0.0000 C 0 0 2.6417 1.7458 0.0000 C 0 0 2 1 1 0 3 6 1 0 4 1 1 0 5 2 1 0 6 4 1 0 7 12 1 0 8 7 1 0 9 1 2 0 10 9 1 0 11 2 2 0 12 15 2 0 13 10 2 0 14 10 1 0 15 14 1 0 16 22 1 0 17 3 2 0 18 7 2 0 19 8 1 0 20 8 1 0 21 19 1 0 22 20 1 0 23 11 1 0 24 4 1 0 25 4 1 0 26 29 2 0 27 16 1 0 28 14 2 0 29 28 1 0 30 24 1 0 31 25 1 0 32 31 1 0 5 3 1 0 11 13 1 0 30 32 1 0 12 26 1 0 21 16 1 0 M END > CHEMBL185370 > 0 $$$$ CHEMBL98350 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 5.0972 0.0717 0.0000 O 0 0 5.0972 2.5467 0.0000 O 0 0 2.2393 -0.7533 0.0000 O 0 0 3.6682 0.0717 0.0000 N 0 0 5.8116 0.4842 0.0000 C 0 0 5.8116 1.3092 0.0000 C 0 0 6.5261 0.0717 0.0000 C 0 0 4.3827 0.4842 0.0000 C 0 0 5.0972 1.7217 0.0000 C 0 0 4.3827 1.3092 0.0000 C 0 0 6.5261 -0.7533 0.0000 C 0 0 6.5261 1.7217 0.0000 C 0 0 7.2406 0.4842 0.0000 C 0 0 7.2406 1.3092 0.0000 C 0 0 2.9538 0.4842 0.0000 C 0 0 3.6682 -0.7533 0.0000 C 0 0 7.2406 -1.1658 0.0000 C 0 0 5.8116 -1.1658 0.0000 C 0 0 2.2393 0.0717 0.0000 C 0 0 2.9538 -1.1658 0.0000 C 0 0 7.2406 -1.9908 0.0000 C 0 0 5.8116 -1.9908 0.0000 C 0 0 6.5261 -2.4033 0.0000 C 0 0 1 5 1 0 1 8 1 0 2 9 2 0 3 19 1 0 3 20 1 0 4 8 1 0 4 15 1 0 4 16 1 0 5 6 1 0 5 7 2 0 6 9 1 0 6 12 2 0 7 11 1 0 7 13 1 0 8 10 2 0 9 10 1 0 11 17 2 0 11 18 1 0 12 14 1 0 13 14 2 0 15 19 1 0 16 20 1 0 17 21 1 0 18 22 2 0 21 23 2 0 22 23 1 0 M END > CHEMBL98350 > 0 $$$$ CHEMBL203921 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 10.0345 -17.3037 0.0000 C 0 0 10.0333 -18.1303 0.0000 C 0 0 10.7475 -18.5427 0.0000 C 0 0 10.7457 -16.8913 0.0000 C 0 0 11.4603 -17.3001 0.0000 C 0 0 11.4638 -18.1323 0.0000 C 0 0 12.1822 -18.5432 0.0000 O 0 0 12.9019 -18.1264 0.0000 C 0 0 12.8985 -17.2942 0.0000 C 0 0 12.1754 -16.8787 0.0000 C 0 0 12.1709 -16.0545 0.0000 O 0 0 13.6167 -18.5366 0.0000 N 0 0 13.6158 -19.3655 0.0000 C 0 0 14.3266 -19.7756 0.0000 C 0 0 15.0417 -19.3651 0.0000 O 0 0 15.0414 -18.5399 0.0000 C 0 0 14.3261 -18.1253 0.0000 C 0 0 9.3192 -18.5418 0.0000 O 0 0 8.6058 -18.1291 0.0000 C 0 0 8.6110 -17.3051 0.0000 C 0 0 7.8984 -16.8925 0.0000 C 0 0 7.1834 -17.3041 0.0000 C 0 0 7.1853 -18.1325 0.0000 C 0 0 7.8985 -18.5414 0.0000 C 0 0 8 12 1 0 12 13 1 0 2 3 1 0 3 6 2 0 1 2 2 0 5 4 2 0 4 1 1 0 12 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 5 10 1 0 2 18 1 0 6 7 1 0 18 19 1 0 7 8 1 0 19 20 2 0 8 9 2 0 20 21 1 0 9 10 1 0 21 22 2 0 5 6 1 0 22 23 1 0 10 11 2 0 23 24 2 0 24 19 1 0 M END > CHEMBL203921 > 0 $$$$ CHEMBL95923 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 0.6417 -0.1042 0.0000 C 0 0 0.6417 0.7208 0.0000 C 0 0 -0.0750 -0.5167 0.0000 O 0 0 -0.7875 -0.1042 0.0000 C 0 0 -0.0750 1.1333 0.0000 C 0 0 -0.7875 0.7208 0.0000 C 0 0 1.3542 -0.5167 0.0000 N 0 0 -2.9375 -0.5250 0.0000 C 0 0 -3.6583 -0.9417 0.0000 C 0 0 -1.5000 1.1333 0.0000 C 0 0 -1.5000 -0.5167 0.0000 C 0 0 -0.0750 1.9583 0.0000 O 0 0 -2.2208 -0.1042 0.0000 C 0 0 2.7875 -1.3417 0.0000 O 0 0 -4.3833 -1.3667 0.0000 C 0 0 -2.2208 0.7208 0.0000 C 0 0 2.0667 -0.1042 0.0000 C 0 0 1.3542 -1.3417 0.0000 C 0 0 2.0667 -1.7542 0.0000 C 0 0 2.7875 -0.5167 0.0000 C 0 0 -5.0958 -0.9542 0.0000 C 0 0 -4.3750 -2.1917 0.0000 C 0 0 -5.0958 -2.6042 0.0000 C 0 0 -5.8083 -1.3667 0.0000 C 0 0 -5.8083 -2.1917 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 1 0 8 13 1 0 9 8 3 0 10 6 2 0 11 4 2 0 12 5 2 0 13 11 1 0 14 19 1 0 15 9 1 0 16 13 2 0 17 7 1 0 18 7 1 0 19 18 1 0 20 17 1 0 21 15 2 0 22 15 1 0 23 22 2 0 24 21 1 0 25 23 1 0 20 14 1 0 5 6 1 0 16 10 1 0 24 25 2 0 M END > CHEMBL95923 > 0 $$$$ CHEMBL95309 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 0.6417 -0.1042 0.0000 C 0 0 0.6417 0.7208 0.0000 C 0 0 -0.0750 -0.5167 0.0000 O 0 0 -0.7875 -0.1042 0.0000 C 0 0 -0.0750 1.1333 0.0000 C 0 0 -0.7875 0.7208 0.0000 C 0 0 1.3542 -0.5167 0.0000 N 0 0 -1.5000 -0.5167 0.0000 C 0 0 -2.2208 -0.1042 0.0000 C 0 0 -1.5000 1.1333 0.0000 C 0 0 -0.0750 1.9583 0.0000 O 0 0 -2.2208 0.7208 0.0000 C 0 0 -2.9375 -0.5167 0.0000 C 0 0 2.7875 -1.3417 0.0000 O 0 0 1.3542 -1.3417 0.0000 C 0 0 2.0667 -0.1042 0.0000 C 0 0 2.7875 -0.5167 0.0000 C 0 0 2.0667 -1.7542 0.0000 C 0 0 -3.6583 -0.1042 0.0000 C 0 0 -2.9333 -1.3500 0.0000 C 0 0 -3.6458 -1.7667 0.0000 C 0 0 -4.3750 -0.5167 0.0000 C 0 0 -4.3750 -1.3542 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 1 0 8 4 2 0 9 8 1 0 10 6 2 0 11 5 2 0 12 9 2 0 13 9 1 0 14 17 1 0 15 7 1 0 16 7 1 0 17 16 1 0 18 15 1 0 19 13 2 0 20 13 1 0 21 20 2 0 22 19 1 0 23 21 1 0 18 14 1 0 5 6 1 0 12 10 1 0 22 23 2 0 M END > CHEMBL95309 > 0 $$$$ CHEMBL96045 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 6.8042 -3.1792 0.0000 C 0 0 6.8042 -2.3542 0.0000 C 0 0 6.0875 -3.5917 0.0000 O 0 0 5.3750 -3.1792 0.0000 C 0 0 6.0875 -1.9417 0.0000 C 0 0 5.3750 -2.3542 0.0000 C 0 0 7.5167 -3.5917 0.0000 N 0 0 4.6625 -3.5917 0.0000 C 0 0 4.6625 -1.9417 0.0000 C 0 0 6.0875 -1.1167 0.0000 O 0 0 1.8000 -6.0667 0.0000 N 0 0 3.9417 -3.1792 0.0000 C 0 0 8.9500 -4.4250 0.0000 O 0 0 2.5042 -4.8375 0.0000 C 0 0 3.2250 -3.6000 0.0000 O 0 0 3.9417 -2.3542 0.0000 C 0 0 3.2250 -4.4250 0.0000 C 0 0 8.2292 -3.1792 0.0000 C 0 0 7.5167 -4.4250 0.0000 C 0 0 2.5042 -5.6542 0.0000 C 0 0 1.0792 -5.6542 0.0000 C 0 0 8.2292 -4.8375 0.0000 C 0 0 8.9500 -3.5917 0.0000 C 0 0 1.7917 -4.4167 0.0000 C 0 0 1.0792 -4.8292 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 1 0 8 4 2 0 9 6 2 0 10 5 2 0 11 20 2 0 12 8 1 0 13 22 1 0 14 17 1 0 15 12 1 0 16 12 2 0 17 15 1 0 18 7 1 0 19 7 1 0 20 14 1 0 21 25 2 0 22 19 1 0 23 18 1 0 24 14 2 0 25 24 1 0 23 13 1 0 5 6 1 0 9 16 1 0 11 21 1 0 M END > CHEMBL96045 > 0 $$$$ CHEMBL95298 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 6.8042 -3.1792 0.0000 C 0 0 6.8042 -2.3542 0.0000 C 0 0 6.0875 -3.5917 0.0000 O 0 0 5.3750 -3.1792 0.0000 C 0 0 6.0875 -1.9417 0.0000 C 0 0 5.3750 -2.3542 0.0000 C 0 0 7.5167 -3.5917 0.0000 N 0 0 4.6625 -3.5917 0.0000 C 0 0 4.6625 -1.9417 0.0000 C 0 0 6.0875 -1.1167 0.0000 O 0 0 3.9417 -3.1792 0.0000 C 0 0 8.9500 -4.4250 0.0000 O 0 0 3.2250 -3.6000 0.0000 O 0 0 3.9417 -2.3542 0.0000 C 0 0 3.2250 -4.4292 0.0000 C 0 0 7.5167 -4.4250 0.0000 C 0 0 8.2292 -3.1792 0.0000 C 0 0 2.5042 -4.8417 0.0000 C 0 0 8.2292 -4.8375 0.0000 C 0 0 8.9500 -3.5917 0.0000 C 0 0 1.7917 -4.4250 0.0000 C 0 0 2.5042 -5.6625 0.0000 C 0 0 1.8000 -6.0750 0.0000 C 0 0 1.0792 -4.8375 0.0000 C 0 0 1.0792 -5.6625 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 1 0 8 4 2 0 9 6 2 0 10 5 2 0 11 8 1 0 12 20 1 0 13 11 1 0 14 11 2 0 15 13 1 0 16 7 1 0 17 7 1 0 18 15 1 0 19 16 1 0 20 17 1 0 21 18 2 0 22 18 1 0 23 22 2 0 24 21 1 0 25 23 1 0 19 12 1 0 5 6 1 0 9 14 1 0 24 25 2 0 M END > CHEMBL95298 > 0 $$$$ CHEMBL203942 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -1.5839 -5.0970 0.0000 C 0 0 -1.5850 -5.9238 0.0000 C 0 0 -0.8706 -6.3365 0.0000 C 0 0 -0.8724 -4.6844 0.0000 C 0 0 -0.1574 -5.0933 0.0000 C 0 0 -0.1540 -5.9259 0.0000 C 0 0 0.5648 -6.3370 0.0000 O 0 0 1.2847 -5.9200 0.0000 C 0 0 1.2812 -5.0874 0.0000 C 0 0 0.5579 -4.6718 0.0000 C 0 0 0.5534 -3.8473 0.0000 O 0 0 1.9999 -6.3304 0.0000 N 0 0 1.9990 -7.1596 0.0000 C 0 0 2.7101 -7.5699 0.0000 C 0 0 3.4254 -7.1591 0.0000 O 0 0 3.4252 -6.3337 0.0000 C 0 0 2.7095 -5.9188 0.0000 C 0 0 -0.8721 -7.1610 0.0000 C 0 0 -2.2993 -6.3356 0.0000 O 0 0 -3.0131 -5.9227 0.0000 C 0 0 -3.0078 -5.0983 0.0000 C 0 0 -3.7207 -4.6855 0.0000 C 0 0 -4.4361 -5.0973 0.0000 C 0 0 -4.4341 -5.9261 0.0000 C 0 0 -3.7206 -6.3352 0.0000 C 0 0 8 12 1 0 12 13 1 0 2 3 1 0 3 6 2 0 1 2 2 0 5 4 2 0 4 1 1 0 12 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 5 10 1 0 3 18 1 0 6 7 1 0 2 19 1 0 7 8 1 0 19 20 1 0 8 9 2 0 20 21 2 0 9 10 1 0 21 22 1 0 5 6 1 0 22 23 2 0 10 11 2 0 23 24 1 0 24 25 2 0 25 20 1 0 M END > CHEMBL203942 > 0 $$$$ CHEMBL95242 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 2.2875 -0.5042 0.0000 C 0 0 0.8542 -0.5042 0.0000 C 0 0 1.5667 -0.9167 0.0000 O 0 0 2.2875 0.3208 0.0000 C 0 0 0.8542 0.3208 0.0000 C 0 0 1.5667 0.7333 0.0000 C 0 0 -1.2958 -0.9250 0.0000 C 0 0 3.0000 -0.9167 0.0000 N 0 0 0.1417 -0.9167 0.0000 C 0 0 -2.0125 -1.3417 0.0000 C 0 0 -0.5708 -0.5042 0.0000 C 0 0 0.1417 0.7333 0.0000 C 0 0 1.5667 1.5583 0.0000 O 0 0 -0.5708 0.3208 0.0000 C 0 0 4.4292 -1.7417 0.0000 O 0 0 -2.7333 -1.7667 0.0000 C 0 0 3.0000 -1.7417 0.0000 C 0 0 3.7167 -0.5042 0.0000 C 0 0 0.1417 -1.7417 0.0000 C 0 0 3.7125 -2.1542 0.0000 C 0 0 4.4292 -0.9167 0.0000 C 0 0 -3.4458 -1.3542 0.0000 C 0 0 -2.7333 -2.5917 0.0000 C 0 0 -3.4458 -3.0042 0.0000 C 0 0 -4.1625 -1.7667 0.0000 C 0 0 -4.1583 -2.5917 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 11 1 0 8 1 1 0 9 2 2 0 10 7 3 0 11 9 1 0 12 5 2 0 13 6 2 0 14 12 1 0 15 21 1 0 16 10 1 0 17 8 1 0 18 8 1 0 19 9 1 0 20 17 1 0 21 18 1 0 22 16 2 0 23 16 1 0 24 23 2 0 25 22 1 0 26 24 1 0 20 15 1 0 5 2 1 0 14 11 2 0 25 26 2 0 M END > CHEMBL95242 > 0 $$$$ CHEMBL95782 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 3.0042 -0.0917 0.0000 C 0 0 1.5750 -0.0917 0.0000 C 0 0 2.2875 -0.5125 0.0000 O 0 0 3.0042 0.7250 0.0000 C 0 0 1.5750 0.7250 0.0000 C 0 0 2.2875 1.1375 0.0000 C 0 0 0.8625 -0.5125 0.0000 C 0 0 3.7167 -0.5125 0.0000 N 0 0 0.1417 -0.0917 0.0000 C 0 0 0.8625 1.1375 0.0000 C 0 0 0.1417 0.7250 0.0000 C 0 0 2.2875 1.9625 0.0000 O 0 0 -0.5708 -0.5125 0.0000 C 0 0 5.1500 -1.3417 0.0000 O 0 0 0.8667 -1.3375 0.0000 C 0 0 3.7167 -1.3417 0.0000 C 0 0 4.4292 -0.0917 0.0000 C 0 0 5.1500 -0.5125 0.0000 C 0 0 4.4292 -1.7542 0.0000 C 0 0 -1.2833 -0.0917 0.0000 C 0 0 -0.5625 -1.3292 0.0000 C 0 0 -1.2750 -1.7500 0.0000 C 0 0 -1.9958 -0.5125 0.0000 C 0 0 -1.9958 -1.3375 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 2 2 0 8 1 1 0 9 7 1 0 10 5 2 0 11 10 1 0 12 6 2 0 13 9 1 0 14 18 1 0 15 7 1 0 16 8 1 0 17 8 1 0 18 17 1 0 19 16 1 0 20 13 2 0 21 13 1 0 22 21 2 0 23 20 1 0 24 22 1 0 19 14 1 0 5 2 1 0 11 9 2 0 23 24 2 0 M END > CHEMBL95782 > 0 $$$$ CHEMBL60481 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 1.9500 -0.1667 0.0000 C 0 0 0.9042 -0.1667 0.0000 C 0 0 1.4292 -0.4667 0.0000 O 0 0 1.9417 0.4375 0.0000 C 0 0 0.9042 0.4333 0.0000 C 0 0 1.4250 0.7333 0.0000 C 0 0 0.3875 -0.4750 0.0000 C 0 0 2.4667 -0.4667 0.0000 N 0 0 0.3875 0.7333 0.0000 C 0 0 -0.1333 -0.1750 0.0000 C 0 0 1.4167 1.3333 0.0000 O 0 0 -0.6500 -0.4750 0.0000 O 0 0 -0.1333 0.4250 0.0000 C 0 0 -2.2083 -1.3667 0.0000 N 0 0 3.5042 -1.0667 0.0000 O 0 0 -1.6875 -0.4750 0.0000 C 0 0 -1.1708 -0.1750 0.0000 C 0 0 0.3917 -1.0750 0.0000 C 0 0 2.9875 -0.1667 0.0000 C 0 0 2.4667 -1.0667 0.0000 C 0 0 -1.6875 -1.0667 0.0000 C 0 0 -2.7250 -1.0667 0.0000 C 0 0 2.9875 -1.3667 0.0000 C 0 0 3.5042 -0.4667 0.0000 C 0 0 -2.2083 -0.1667 0.0000 C 0 0 -2.7333 -0.4667 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 2 2 0 8 1 1 0 9 5 2 0 10 7 1 0 11 6 2 0 12 10 1 0 13 9 1 0 14 21 2 0 15 23 1 0 16 17 1 0 17 12 1 0 18 7 1 0 19 8 1 0 20 8 1 0 21 16 1 0 22 26 2 0 23 20 1 0 24 19 1 0 25 16 2 0 26 25 1 0 24 15 1 0 5 2 1 0 13 10 2 0 14 22 1 0 M END > CHEMBL60481 > 0 $$$$ CHEMBL418968 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 0.7542 -0.0042 0.0000 C 0 0 0.7542 0.8208 0.0000 C 0 0 0.0417 -0.4167 0.0000 O 0 0 -0.6708 -0.0042 0.0000 C 0 0 0.0417 1.2333 0.0000 C 0 0 -0.6708 0.8208 0.0000 C 0 0 1.4667 -0.4167 0.0000 N 0 0 -1.3833 -0.4167 0.0000 C 0 0 0.0417 2.0583 0.0000 O 0 0 2.9042 -1.2500 0.0000 O 0 0 -1.3833 -1.2417 0.0000 C 0 0 -1.3833 1.2333 0.0000 C 0 0 -2.0958 -1.6542 0.0000 C 0 0 1.4667 -1.2500 0.0000 C 0 0 2.1875 -0.0125 0.0000 C 0 0 -2.0958 -2.4792 0.0000 C 0 0 -2.1000 0.8125 0.0000 C 0 0 -2.1000 -0.0042 0.0000 C 0 0 2.1792 -1.6625 0.0000 C 0 0 2.9042 -0.4167 0.0000 C 0 0 -2.8125 -2.8917 0.0000 C 0 0 -1.3833 -2.8917 0.0000 C 0 0 -1.3833 -3.7125 0.0000 C 0 0 -2.8125 -3.7167 0.0000 C 0 0 -2.1000 -4.1292 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 1 0 8 4 2 0 9 5 2 0 10 20 1 0 11 8 1 0 12 6 2 0 13 11 1 0 14 7 1 0 15 7 1 0 16 13 1 0 17 18 2 0 18 8 1 0 19 14 1 0 20 15 1 0 21 16 2 0 22 16 1 0 23 22 2 0 24 21 1 0 25 23 1 0 19 10 1 0 5 6 1 0 17 12 1 0 24 25 2 0 M END > CHEMBL418968 > 0 $$$$ CHEMBL97546 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 0.7542 -0.0042 0.0000 C 0 0 0.7542 0.8208 0.0000 C 0 0 0.0417 -0.4167 0.0000 O 0 0 -0.6708 -0.0042 0.0000 C 0 0 0.0417 1.2333 0.0000 C 0 0 -0.6708 0.8208 0.0000 C 0 0 -1.3833 -1.2417 0.0000 C 0 0 1.4667 -0.4167 0.0000 N 0 0 -1.3833 -2.0667 0.0000 C 0 0 -1.3833 -0.4167 0.0000 C 0 0 0.0417 2.0583 0.0000 O 0 0 2.9042 -1.2500 0.0000 O 0 0 -1.3833 -2.8917 0.0000 C 0 0 -1.3833 1.2333 0.0000 C 0 0 2.1875 -0.0125 0.0000 C 0 0 1.4667 -1.2500 0.0000 C 0 0 -2.1000 0.8125 0.0000 C 0 0 -2.1000 -0.0042 0.0000 C 0 0 2.1792 -1.6625 0.0000 C 0 0 2.9042 -0.4167 0.0000 C 0 0 -2.1000 -3.3042 0.0000 C 0 0 -0.6708 -3.3042 0.0000 C 0 0 -0.6708 -4.1292 0.0000 C 0 0 -2.1000 -4.1292 0.0000 C 0 0 -1.3833 -4.5500 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 10 1 0 8 1 1 0 9 7 3 0 10 4 2 0 11 5 2 0 12 19 1 0 13 9 1 0 14 6 2 0 15 8 1 0 16 8 1 0 17 18 2 0 18 10 1 0 19 16 1 0 20 15 1 0 21 13 2 0 22 13 1 0 23 22 2 0 24 21 1 0 25 23 1 0 20 12 1 0 5 6 1 0 17 14 1 0 24 25 2 0 M END > CHEMBL97546 > 0 $$$$ CHEMBL430660 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 0.7542 -0.0042 0.0000 C 0 0 0.7542 0.8208 0.0000 C 0 0 0.0417 -0.4167 0.0000 O 0 0 -0.6708 -0.0042 0.0000 C 0 0 0.0417 1.2333 0.0000 C 0 0 -0.6708 0.8208 0.0000 C 0 0 1.4667 -0.4167 0.0000 N 0 0 -1.3833 -0.4167 0.0000 C 0 0 0.0417 2.0583 0.0000 O 0 0 -1.3750 -1.2417 0.0000 O 0 0 2.9042 -1.2500 0.0000 O 0 0 -0.6583 -1.6500 0.0000 C 0 0 -1.3833 1.2333 0.0000 C 0 0 1.4667 -1.2500 0.0000 C 0 0 2.1875 -0.0125 0.0000 C 0 0 -0.6583 -2.4750 0.0000 C 0 0 -2.1000 0.8125 0.0000 C 0 0 -2.1000 -0.0042 0.0000 C 0 0 2.1792 -1.6625 0.0000 C 0 0 2.9042 -0.4167 0.0000 C 0 0 -1.3625 -2.8917 0.0000 C 0 0 0.0667 -2.8792 0.0000 C 0 0 0.0750 -3.7000 0.0000 C 0 0 -1.3583 -3.7167 0.0000 C 0 0 -0.6375 -4.1250 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 1 0 8 4 2 0 9 5 2 0 10 8 1 0 11 20 1 0 12 10 1 0 13 6 2 0 14 7 1 0 15 7 1 0 16 12 1 0 17 18 2 0 18 8 1 0 19 14 1 0 20 15 1 0 21 16 2 0 22 16 1 0 23 22 2 0 24 21 1 0 25 23 1 0 19 11 1 0 5 6 1 0 17 13 1 0 24 25 2 0 M END > CHEMBL430660 > 0 $$$$ CHEMBL98829 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 0.7542 -0.0042 0.0000 C 0 0 -0.6708 -0.0042 0.0000 C 0 0 0.0417 -0.4167 0.0000 O 0 0 0.7542 0.8208 0.0000 C 0 0 -0.6708 0.8208 0.0000 C 0 0 0.0417 1.2333 0.0000 C 0 0 -1.3833 -0.4167 0.0000 C 0 0 1.4667 -0.4167 0.0000 N 0 0 -1.3833 1.2333 0.0000 C 0 0 -1.3833 -1.2500 0.0000 C 0 0 -2.1000 -0.0042 0.0000 C 0 0 0.0417 2.0583 0.0000 O 0 0 -2.1000 0.8125 0.0000 C 0 0 2.9042 -1.2500 0.0000 O 0 0 -2.0958 -1.6625 0.0000 C 0 0 -0.6708 -1.6625 0.0000 C 0 0 -1.3833 -2.9042 0.0000 C 0 0 -0.6708 -2.4917 0.0000 C 0 0 -2.0958 -2.4917 0.0000 C 0 0 -1.3875 -3.7292 0.0000 Cl 0 0 2.1875 -0.0125 0.0000 C 0 0 1.4667 -1.2500 0.0000 C 0 0 -2.8125 1.2333 0.0000 O 0 0 2.9042 -0.4167 0.0000 C 0 0 2.1792 -1.6625 0.0000 C 0 0 -2.8125 2.0583 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 2 2 0 8 1 1 0 9 5 2 0 10 7 1 0 11 7 1 0 12 6 2 0 13 9 1 0 14 25 1 0 15 10 2 0 16 10 1 0 17 18 1 0 18 16 2 0 19 15 1 0 20 17 1 0 21 8 1 0 22 8 1 0 23 13 1 0 24 21 1 0 25 22 1 0 26 23 1 0 24 14 1 0 5 2 1 0 13 11 2 0 19 17 2 0 M END > CHEMBL98829 > 0 $$$$ CHEMBL59941 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 1.9500 -0.1667 0.0000 C 0 0 0.9042 -0.1667 0.0000 C 0 0 1.4292 -0.4667 0.0000 O 0 0 1.9417 0.4375 0.0000 C 0 0 0.9042 0.4333 0.0000 C 0 0 1.4250 0.7333 0.0000 C 0 0 0.3875 -0.4750 0.0000 C 0 0 2.4667 -0.4667 0.0000 N 0 0 0.3875 0.7333 0.0000 C 0 0 -1.6958 -1.0667 0.0000 N 0 0 -1.7000 -2.2542 0.0000 N 0 0 -0.1333 -0.1750 0.0000 C 0 0 1.4167 1.3333 0.0000 O 0 0 -0.1333 0.4250 0.0000 C 0 0 3.5042 -1.0667 0.0000 O 0 0 -2.2125 -1.9542 0.0000 C 0 0 -1.1833 -1.9625 0.0000 C 0 0 -2.2083 -1.3625 0.0000 C 0 0 -1.1833 -1.3667 0.0000 C 0 0 -0.6500 -0.4750 0.0000 O 0 0 0.3917 -1.0750 0.0000 C 0 0 2.4667 -1.0667 0.0000 C 0 0 2.9875 -0.1667 0.0000 C 0 0 -1.6875 -0.4750 0.0000 C 0 0 -1.1708 -0.1750 0.0000 C 0 0 -1.7083 -2.8542 0.0000 C 0 0 2.9875 -1.3667 0.0000 C 0 0 3.5042 -0.4667 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 2 2 0 8 1 1 0 9 5 2 0 10 24 1 0 11 17 1 0 12 7 1 0 13 6 2 0 14 9 1 0 15 28 1 0 16 18 1 0 17 19 1 0 18 10 1 0 19 10 1 0 20 12 1 0 21 7 1 0 22 8 1 0 23 8 1 0 24 25 1 0 25 20 1 0 26 11 1 0 27 22 1 0 28 23 1 0 27 15 1 0 5 2 1 0 14 12 2 0 16 11 1 0 M END > CHEMBL59941 > 0 $$$$ CHEMBL64162 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 1.9500 -0.1667 0.0000 C 0 0 0.9042 -0.1667 0.0000 C 0 0 1.4292 -0.4667 0.0000 O 0 0 1.9417 0.4375 0.0000 C 0 0 0.9042 0.4333 0.0000 C 0 0 1.4250 0.7333 0.0000 C 0 0 0.3875 -0.4750 0.0000 C 0 0 2.4667 -0.4667 0.0000 N 0 0 0.3875 0.7333 0.0000 C 0 0 -0.1333 -0.1750 0.0000 C 0 0 1.4167 1.3333 0.0000 O 0 0 -0.6500 -0.4750 0.0000 O 0 0 -0.1333 0.4250 0.0000 C 0 0 3.5042 -1.0667 0.0000 O 0 0 -1.1708 -0.1750 0.0000 C 0 0 0.3917 -1.0750 0.0000 C 0 0 2.4667 -1.0667 0.0000 C 0 0 2.9875 -0.1667 0.0000 C 0 0 -1.6875 -0.4750 0.0000 C 0 0 3.5042 -0.4667 0.0000 C 0 0 2.9875 -1.3667 0.0000 C 0 0 -1.6875 -1.0667 0.0000 C 0 0 -2.2083 -0.1667 0.0000 C 0 0 -2.7333 -0.4667 0.0000 C 0 0 -2.2083 -1.3667 0.0000 C 0 0 -2.7333 -1.0667 0.0000 C 0 0 2 3 1 0 3 1 1 0 4 1 2 0 5 6 1 0 6 4 1 0 7 2 2 0 8 1 1 0 9 5 2 0 10 7 1 0 11 6 2 0 12 10 1 0 13 9 1 0 14 20 1 0 15 12 1 0 16 7 1 0 17 8 1 0 18 8 1 0 19 15 1 0 20 18 1 0 21 17 1 0 22 19 1 0 23 19 2 0 24 23 1 0 25 22 2 0 26 24 2 0 21 14 1 0 5 2 1 0 13 10 2 0 25 26 1 0 M END > CHEMBL64162 > 0 $$$$ CHEMBL321994 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 0.7542 -0.0042 0.0000 C 0 0 0.7542 0.8208 0.0000 C 0 0 0.0417 -0.4167 0.0000 O 0 0 -0.6708 -0.0042 0.0000 C 0 0 0.0417 1.2333 0.0000 C 0 0 -0.6708 0.8208 0.0000 C 0 0 1.4667 -0.4167 0.0000 N 0 0 -1.3833 -0.4167 0.0000 C 0 0 0.0417 2.0583 0.0000 O 0 0 -1.3750 -1.2417 0.0000 O 0 0 0.0750 -3.7000 0.0000 N 0 0 2.9042 -1.2500 0.0000 O 0 0 -0.6583 -2.4750 0.0000 C 0 0 -0.6583 -1.6500 0.0000 C 0 0 -1.3833 1.2333 0.0000 C 0 0 1.4667 -1.2500 0.0000 C 0 0 2.1875 -0.0125 0.0000 C 0 0 0.0667 -2.8792 0.0000 C 0 0 -2.1000 0.8125 0.0000 C 0 0 -2.1000 -0.0042 0.0000 C 0 0 -0.6375 -4.1250 0.0000 C 0 0 2.9042 -0.4167 0.0000 C 0 0 2.1792 -1.6625 0.0000 C 0 0 -1.3625 -2.8917 0.0000 C 0 0 -1.3583 -3.7167 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 3 1 0 5 2 1 0 6 4 1 0 7 1 1 0 8 4 2 0 9 5 2 0 10 8 1 0 11 18 2 0 12 22 1 0 13 14 1 0 14 10 1 0 15 6 2 0 16 7 1 0 17 7 1 0 18 13 1 0 19 20 2 0 20 8 1 0 21 25 2 0 22 17 1 0 23 16 1 0 24 13 2 0 25 24 1 0 23 12 1 0 5 6 1 0 19 15 1 0 11 21 1 0 M END > CHEMBL321994 > 0 $$$$ CHEMBL428445 SciTegic12291823182D 30 33 0 0 1 0 999 V2000 -1.9639 1.7500 0.0000 C 0 0 -1.9651 0.9227 0.0000 C 0 0 -1.2503 0.5098 0.0000 C 0 0 -1.2521 2.1628 0.0000 C 0 0 -0.5367 1.7537 0.0000 C 0 0 -0.5379 0.9206 0.0000 C 0 0 0.1790 0.5053 0.0000 C 0 0 0.9017 0.9185 0.0000 N 0 0 0.9029 1.7516 0.0000 C 0 0 0.1814 2.1715 0.0000 N 0 0 0.1767 -0.3197 0.0000 N 0 0 -0.4914 -0.8006 0.0000 C 0 0 -0.2386 -1.5859 0.0000 C 0 0 1 0 0 0 0.5864 -1.5882 0.0000 C 0 0 0.8434 -0.8043 0.0000 C 0 0 -0.7253 -2.2516 0.0000 O 0 0 -2.6785 2.1624 0.0000 O 0 0 -2.6787 2.9874 0.0000 C 0 0 -2.6799 0.5107 0.0000 O 0 0 -3.3940 0.9238 0.0000 C 0 0 -1.5502 -2.2440 0.0000 C 0 0 -1.9536 -1.5242 0.0000 C 0 0 -2.7778 -1.5163 0.0000 C 0 0 -3.1977 -2.2274 0.0000 C 0 0 -2.7874 -2.9481 0.0000 C 0 0 -1.9645 -2.9525 0.0000 C 0 0 -1.5560 -3.6692 0.0000 C 0 0 -1.1500 -4.3792 0.0000 F 0 0 -2.2724 -4.0782 0.0000 F 0 0 -0.8360 -3.2664 0.0000 F 0 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 2 3 1 0 26 27 1 0 3 6 2 0 27 28 1 0 1 2 2 0 27 29 1 0 12 13 1 0 27 30 1 0 M END > CHEMBL428445 > 1 $$$$ CHEMBL409484 SciTegic12291823182D 28 31 0 0 1 0 999 V2000 -3.0556 -7.3041 0.0000 C 0 0 -3.0568 -8.1315 0.0000 C 0 0 -2.3419 -8.5444 0.0000 C 0 0 -2.3437 -6.8914 0.0000 C 0 0 -1.6284 -7.3005 0.0000 C 0 0 -1.6296 -8.1336 0.0000 C 0 0 -0.9127 -8.5488 0.0000 C 0 0 -0.1900 -8.1356 0.0000 N 0 0 -0.1888 -7.3026 0.0000 C 0 0 -0.9103 -6.8827 0.0000 N 0 0 -0.9150 -9.3738 0.0000 N 0 0 -1.5830 -9.8547 0.0000 C 0 0 -1.3303 -10.6401 0.0000 C 0 0 1 0 0 0 -0.5052 -10.6424 0.0000 C 0 0 -0.2482 -9.8585 0.0000 C 0 0 -1.8169 -11.3058 0.0000 O 0 0 -3.7702 -6.8918 0.0000 O 0 0 -3.7704 -6.0668 0.0000 C 0 0 -3.7716 -8.5434 0.0000 O 0 0 -4.4857 -8.1304 0.0000 C 0 0 -2.6419 -11.2982 0.0000 C 0 0 -3.0453 -10.5784 0.0000 C 0 0 -3.8695 -10.5704 0.0000 C 0 0 -4.2894 -11.2816 0.0000 C 0 0 -3.8791 -12.0023 0.0000 C 0 0 -3.0562 -12.0067 0.0000 C 0 0 -2.6476 -12.7234 0.0000 C 0 0 -2.2417 -13.4333 0.0000 N 0 0 1 2 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 2 3 1 0 26 27 1 0 3 6 2 0 27 28 3 0 M END > CHEMBL409484 > 1 $$$$ CHEMBL408978 SciTegic12291823182D 27 30 0 0 1 0 999 V2000 -1.2955 -11.0677 0.0000 C 0 0 -1.7098 -10.3535 0.0000 C 0 0 -2.5346 -10.3577 0.0000 C 0 0 -1.6997 -11.7827 0.0000 C 0 0 -2.5231 -11.7905 0.0000 C 0 0 -2.9414 -11.0748 0.0000 C 0 0 -0.4699 -11.0630 0.0000 O 0 0 -1.7039 -7.0656 0.0000 C 0 0 -1.7073 -7.8906 0.0000 C 0 0 -0.9912 -8.3052 0.0000 C 0 0 -0.9909 -6.6537 0.0000 C 0 0 -0.2780 -7.0627 0.0000 C 0 0 -0.2814 -7.8963 0.0000 C 0 0 0.4379 -8.3104 0.0000 C 0 0 1.1633 -7.8979 0.0000 N 0 0 1.1624 -7.0643 0.0000 C 0 0 0.4404 -6.6432 0.0000 N 0 0 0.4329 -9.1360 0.0000 N 0 0 -0.2349 -9.6179 0.0000 C 0 0 0.0002 -10.3906 0.0000 C 0 0 1 0 0 0 0.8433 -10.4096 0.0000 C 0 0 1.1010 -9.6260 0.0000 C 0 0 -2.4197 -6.6518 0.0000 O 0 0 -2.4185 -5.8262 0.0000 C 0 0 -2.4248 -8.3054 0.0000 O 0 0 -3.1357 -7.8904 0.0000 C 0 0 -1.2804 -12.4939 0.0000 Cl 0 0 2 3 1 0 5 6 1 0 3 6 2 0 1 7 1 0 1 2 2 0 5 4 2 0 4 1 1 0 8 9 2 0 9 10 1 0 10 13 2 0 12 11 2 0 11 8 1 0 12 13 1 0 12 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 14 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 18 1 0 20 7 1 1 8 23 1 0 23 24 1 0 9 25 1 0 25 26 1 0 4 27 1 0 M END > CHEMBL408978 > 1 $$$$ CHEMBL2096844 SciTegic12291823182D 28 31 0 0 1 0 999 V2000 10.2188 1.2208 0.0000 C 0 0 10.2176 0.3935 0.0000 C 0 0 10.9324 -0.0194 0.0000 C 0 0 10.9306 1.6335 0.0000 C 0 0 11.6459 1.2244 0.0000 C 0 0 11.6447 0.3914 0.0000 C 0 0 12.3615 -0.0238 0.0000 C 0 0 13.0842 0.3894 0.0000 N 0 0 13.0854 1.2223 0.0000 C 0 0 12.3639 1.6422 0.0000 N 0 0 12.3592 -0.8487 0.0000 N 0 0 11.6913 -1.3296 0.0000 C 0 0 11.9440 -2.1150 0.0000 C 0 0 2 0 0 0 12.7690 -2.1173 0.0000 C 0 0 13.0260 -1.3334 0.0000 C 0 0 11.4574 -2.7806 0.0000 O 0 0 9.5042 1.6331 0.0000 O 0 0 9.5040 2.4580 0.0000 C 0 0 9.5028 -0.0184 0.0000 O 0 0 8.7887 0.3946 0.0000 C 0 0 10.6324 -2.7730 0.0000 C 0 0 10.2291 -2.0533 0.0000 C 0 0 9.4049 -2.0453 0.0000 C 0 0 8.9850 -2.7564 0.0000 C 0 0 9.3953 -3.4771 0.0000 C 0 0 10.2182 -3.4815 0.0000 C 0 0 10.6267 -4.1981 0.0000 O 0 0 10.2104 -4.9103 0.0000 C 0 0 1 2 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 6 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 2 3 1 0 26 27 1 0 3 6 2 0 27 28 1 0 M END > CHEMBL2096844 > 1 $$$$ CHEMBL427777 SciTegic12291823182D 28 31 0 0 1 0 999 V2000 10.2188 1.2208 0.0000 C 0 0 10.2176 0.3935 0.0000 C 0 0 10.9324 -0.0194 0.0000 C 0 0 10.9306 1.6335 0.0000 C 0 0 11.6459 1.2244 0.0000 C 0 0 11.6447 0.3914 0.0000 C 0 0 12.3615 -0.0238 0.0000 C 0 0 13.0842 0.3894 0.0000 N 0 0 13.0854 1.2223 0.0000 C 0 0 12.3639 1.6422 0.0000 N 0 0 12.3592 -0.8487 0.0000 N 0 0 11.6913 -1.3296 0.0000 C 0 0 11.9440 -2.1150 0.0000 C 0 0 1 0 0 0 12.7690 -2.1173 0.0000 C 0 0 13.0260 -1.3334 0.0000 C 0 0 11.4574 -2.7806 0.0000 O 0 0 9.5042 1.6331 0.0000 O 0 0 9.5040 2.4580 0.0000 C 0 0 9.5028 -0.0184 0.0000 O 0 0 8.7887 0.3946 0.0000 C 0 0 10.6324 -2.7730 0.0000 C 0 0 10.2291 -2.0533 0.0000 C 0 0 9.4049 -2.0453 0.0000 C 0 0 8.9850 -2.7564 0.0000 C 0 0 9.3953 -3.4771 0.0000 C 0 0 10.2182 -3.4815 0.0000 C 0 0 10.6267 -4.1981 0.0000 O 0 0 10.2104 -4.9103 0.0000 C 0 0 1 2 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 2 3 1 0 26 27 1 0 3 6 2 0 27 28 1 0 M END > CHEMBL427777 > 1 $$$$ CHEMBL262088 SciTegic12291823182D 27 30 0 0 1 0 999 V2000 3.8444 1.4709 0.0000 C 0 0 3.8432 0.6435 0.0000 C 0 0 4.5581 0.2306 0.0000 C 0 0 4.5563 1.8836 0.0000 C 0 0 5.2716 1.4745 0.0000 C 0 0 5.2704 0.6414 0.0000 C 0 0 5.9873 0.2262 0.0000 C 0 0 6.7100 0.6394 0.0000 N 0 0 6.7112 1.4724 0.0000 C 0 0 5.9897 1.8923 0.0000 N 0 0 5.9850 -0.5988 0.0000 N 0 0 5.3170 -1.0797 0.0000 C 0 0 5.5697 -1.8651 0.0000 C 0 0 1 0 0 0 6.3948 -1.8674 0.0000 C 0 0 6.6518 -1.0835 0.0000 C 0 0 5.0831 -2.5308 0.0000 O 0 0 3.1298 1.8832 0.0000 O 0 0 3.1296 2.7082 0.0000 C 0 0 3.1284 0.2316 0.0000 O 0 0 2.4143 0.6446 0.0000 C 0 0 4.2581 -2.5232 0.0000 C 0 0 3.8547 -1.8034 0.0000 C 0 0 3.0305 -1.7954 0.0000 C 0 0 2.6106 -2.5066 0.0000 C 0 0 3.0209 -3.2273 0.0000 C 0 0 3.8438 -3.2317 0.0000 C 0 0 4.2524 -3.9484 0.0000 C 0 0 3 6 2 0 1 2 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 2 3 1 0 26 27 1 0 M END > CHEMBL262088 > 1 $$$$ CHEMBL441704 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 -1.6569 -15.1998 0.0000 N 0 0 -1.6580 -14.3771 0.0000 C 0 0 -0.9419 -13.9638 0.0000 N 0 0 -0.9447 -13.1336 0.0000 C 0 0 -1.6598 -12.7247 0.0000 N 0 0 -2.3726 -13.9643 0.0000 C 0 0 -2.3703 -13.1349 0.0000 C 0 0 -3.0864 -12.7200 0.0000 C 0 0 -3.8052 -13.1333 0.0000 C 0 0 -3.8035 -13.9659 0.0000 C 0 0 -3.0869 -14.3772 0.0000 C 0 0 -4.5218 -12.7176 0.0000 O 0 0 -5.2360 -13.1300 0.0000 C 0 0 -4.5151 -14.3818 0.0000 O 0 0 -5.2315 -13.9731 0.0000 C 0 0 -2.3234 -15.6808 0.0000 C 0 0 -2.0681 -16.4630 0.0000 C 0 0 1 0 0 0 -1.2453 -16.4619 0.0000 C 0 0 -0.9922 -15.6791 0.0000 C 0 0 -2.5043 -17.1628 0.0000 O 0 0 -3.3285 -17.1350 0.0000 C 0 0 -3.7126 -16.4054 0.0000 C 0 0 -4.5360 -16.3773 0.0000 C 0 0 -4.9730 -17.0778 0.0000 C 0 0 -4.5807 -17.8081 0.0000 C 0 0 -3.7584 -17.8326 0.0000 C 0 0 -5.8013 -17.0537 0.0000 C 0 0 -6.6256 -17.0270 0.0000 N 0 0 10 14 1 0 3 4 1 0 14 15 1 0 2 1 1 0 1 16 1 0 7 8 2 0 8 9 1 0 4 5 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 1 1 0 9 10 2 0 17 20 1 1 5 7 1 0 20 21 1 0 10 11 1 0 21 22 2 0 11 6 2 0 22 23 1 0 2 3 2 0 23 24 2 0 6 2 1 0 24 25 1 0 12 13 1 0 25 26 2 0 26 21 1 0 9 12 1 0 6 7 1 0 27 28 3 0 24 27 1 0 M END > CHEMBL441704 > 1 $$$$ CHEMBL409862 SciTegic12291823182D 30 33 0 0 1 0 999 V2000 7.8027 1.5709 0.0000 C 0 0 7.8016 0.7435 0.0000 C 0 0 8.5164 0.3306 0.0000 C 0 0 8.5146 1.9836 0.0000 C 0 0 9.2300 1.5745 0.0000 C 0 0 9.2288 0.7414 0.0000 C 0 0 9.9457 0.3262 0.0000 C 0 0 10.6683 0.7394 0.0000 N 0 0 10.6695 1.5724 0.0000 C 0 0 9.9481 1.9923 0.0000 N 0 0 9.9433 -0.4988 0.0000 N 0 0 9.2753 -0.9797 0.0000 C 0 0 9.5280 -1.7651 0.0000 C 0 0 1 0 0 0 10.3531 -1.7674 0.0000 C 0 0 10.6101 -0.9835 0.0000 C 0 0 9.0414 -2.4308 0.0000 O 0 0 7.0882 1.9832 0.0000 O 0 0 7.0880 2.8082 0.0000 C 0 0 7.0868 0.3316 0.0000 O 0 0 6.3726 0.7446 0.0000 C 0 0 8.2164 -2.4232 0.0000 C 0 0 7.8130 -1.7034 0.0000 C 0 0 6.9888 -1.6954 0.0000 C 0 0 6.5689 -2.4066 0.0000 C 0 0 6.9793 -3.1273 0.0000 C 0 0 7.8021 -3.1317 0.0000 C 0 0 6.5627 -3.8394 0.0000 O 0 0 5.7377 -3.8347 0.0000 C 0 0 5.7440 -2.4001 0.0000 O 0 0 5.3371 -1.6824 0.0000 C 0 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 2 3 1 0 25 27 1 0 3 6 2 0 27 28 1 0 1 2 2 0 24 29 1 0 12 13 1 0 29 30 1 0 M END > CHEMBL409862 > 1 $$$$ CHEMBL408977 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 3.3378 -0.7851 0.0000 C 0 0 3.8228 -1.4525 0.0000 C 0 0 3.4872 -2.2062 0.0000 C 0 0 2.5174 -0.8713 0.0000 N 0 0 4.6432 -1.3663 0.0000 C 0 0 3.6734 -0.0314 0.0000 N 0 0 5.1282 -2.0337 0.0000 C 0 0 3.9721 -2.8737 0.0000 C 0 0 4.7926 -2.7874 0.0000 C 0 0 1.9653 -0.2582 0.0000 C 0 0 4.9788 -0.6126 0.0000 N 0 0 -1.6462 -0.5938 0.0000 C 0 0 4.4939 0.0548 0.0000 C 0 0 -0.9318 -0.1813 0.0000 C 0 0 -1.6462 -1.4188 0.0000 C 0 0 -0.2173 -0.5938 0.0000 C 0 0 1.2116 -0.5938 0.0000 C 0 0 2 0 0 0 0.4972 -0.1813 0.0000 O 0 0 2.1049 -1.5858 0.0000 C 0 0 -0.9318 -1.8313 0.0000 C 0 0 -0.2173 -1.4188 0.0000 C 0 0 1.2979 -1.4143 0.0000 C 0 0 3.6366 -3.6273 0.0000 O 0 0 5.2775 -3.4549 0.0000 O 0 0 -2.4309 -0.3389 0.0000 C 0 0 -2.9158 -1.0063 0.0000 C 0 0 -2.4309 -1.6737 0.0000 C 0 0 4.1215 -4.2948 0.0000 C 0 0 6.0980 -3.3686 0.0000 C 0 0 2 1 1 0 3 2 2 0 4 1 1 0 5 2 1 0 6 1 2 0 7 5 2 0 8 3 1 0 9 7 1 0 10 4 1 0 11 5 1 0 12 14 1 0 13 6 1 0 14 16 2 0 15 20 1 0 16 18 1 0 17 10 1 0 17 18 1 1 19 4 1 0 20 21 2 0 21 16 1 0 22 19 1 0 23 8 1 0 24 9 1 0 25 12 1 0 26 25 1 0 27 15 1 0 28 23 1 0 29 24 1 0 11 13 2 0 22 17 1 0 8 9 2 0 12 15 2 0 27 26 1 0 M END > CHEMBL408977 > 1 $$$$ CHEMBL219451 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 -2.1880 0.9650 0.0000 N 0 0 -2.8639 0.4876 0.0000 C 0 0 -2.6179 -0.2996 0.0000 C 0 0 1 0 0 0 -1.7931 -0.3088 0.0000 C 0 0 -1.5296 0.4727 0.0000 C 0 0 -3.1107 -0.9566 0.0000 O 0 0 -3.9353 -0.9409 0.0000 C 0 0 -4.3350 -0.2187 0.0000 C 0 0 -5.1588 -0.2026 0.0000 C 0 0 -5.5856 -0.9094 0.0000 C 0 0 -5.1825 -1.6339 0.0000 C 0 0 -4.3600 -1.6464 0.0000 C 0 0 -2.2002 1.7886 0.0000 C 0 0 -1.4899 2.2119 0.0000 N 0 0 -1.5046 3.0421 0.0000 C 0 0 -2.2255 3.4408 0.0000 N 0 0 -2.9206 2.1911 0.0000 C 0 0 -2.9301 3.0206 0.0000 C 0 0 -3.6520 3.4253 0.0000 C 0 0 -4.3649 3.0018 0.0000 C 0 0 -4.3514 2.1692 0.0000 C 0 0 -3.6290 1.7683 0.0000 C 0 0 -5.0872 3.4074 0.0000 O 0 0 -5.7955 2.9848 0.0000 C 0 0 -5.0570 1.7434 0.0000 O 0 0 -5.7791 2.1418 0.0000 C 0 0 -5.6034 -2.3446 0.0000 O 0 0 -5.2022 -3.0652 0.0000 C 0 0 -4.3776 -3.0780 0.0000 C 0 0 13 14 2 0 6 7 1 0 14 15 1 0 2 3 1 0 15 16 2 0 16 18 1 0 7 8 2 0 3 4 1 0 17 18 1 0 8 9 1 0 18 19 2 0 4 5 1 0 19 20 1 0 9 10 2 0 20 21 2 0 5 1 1 0 21 22 1 0 22 17 2 0 13 1 1 0 10 11 1 0 23 24 1 0 20 23 1 0 11 12 2 0 21 25 1 0 12 7 1 0 25 26 1 0 3 6 1 1 17 13 1 0 27 28 1 0 11 27 1 0 1 2 1 0 28 29 1 0 M END > CHEMBL219451 > 1 $$$$ CHEMBL218855 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 13.3050 -23.8049 0.0000 N 0 0 13.3039 -22.9819 0.0000 C 0 0 14.0203 -22.5685 0.0000 N 0 0 14.0175 -21.7380 0.0000 C 0 0 13.3021 -21.3289 0.0000 N 0 0 12.5891 -22.5690 0.0000 C 0 0 12.5914 -21.7393 0.0000 C 0 0 11.8751 -21.3242 0.0000 C 0 0 11.1560 -21.7377 0.0000 C 0 0 11.1577 -22.5706 0.0000 C 0 0 11.8746 -22.9820 0.0000 C 0 0 10.4392 -21.3218 0.0000 O 0 0 9.7248 -21.7344 0.0000 C 0 0 10.4459 -22.9866 0.0000 O 0 0 9.7293 -22.5778 0.0000 C 0 0 12.6383 -24.2860 0.0000 C 0 0 12.8937 -25.0685 0.0000 C 0 0 1 0 0 0 13.7168 -25.0674 0.0000 C 0 0 13.9700 -24.2843 0.0000 C 0 0 12.4574 -25.7685 0.0000 O 0 0 11.6329 -25.7407 0.0000 C 0 0 11.2487 -25.0109 0.0000 C 0 0 10.4250 -24.9828 0.0000 C 0 0 9.9878 -25.6835 0.0000 C 0 0 10.3803 -26.4140 0.0000 C 0 0 11.2028 -26.4385 0.0000 C 0 0 9.9496 -27.1138 0.0000 C 0 0 9.1239 -27.0875 0.0000 C 0 0 8.6901 -27.7883 0.0000 C 0 0 9.0809 -28.5159 0.0000 C 0 0 9.9099 -28.5383 0.0000 C 0 0 10.3399 -27.8367 0.0000 C 0 0 1 16 1 0 7 8 2 0 8 9 1 0 4 5 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 1 1 0 9 10 2 0 17 20 1 1 5 7 1 0 20 21 1 0 10 11 1 0 21 22 2 0 11 6 2 0 22 23 1 0 2 3 2 0 23 24 2 0 6 2 1 0 24 25 1 0 12 13 1 0 25 26 2 0 26 21 1 0 9 12 1 0 6 7 1 0 27 28 2 0 10 14 1 0 28 29 1 0 3 4 1 0 29 30 2 0 14 15 1 0 30 31 1 0 2 1 1 0 31 32 2 0 32 27 1 0 25 27 1 0 M END > CHEMBL218855 > 1 $$$$ CHEMBL219123 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 6.4883 -23.6091 0.0000 N 0 0 6.4872 -22.7860 0.0000 C 0 0 7.2037 -22.3727 0.0000 N 0 0 7.2008 -21.5422 0.0000 C 0 0 6.4854 -21.1330 0.0000 N 0 0 5.7724 -22.3732 0.0000 C 0 0 5.7747 -21.5434 0.0000 C 0 0 5.0584 -21.1284 0.0000 C 0 0 4.3394 -21.5419 0.0000 C 0 0 4.3411 -22.3748 0.0000 C 0 0 5.0579 -22.7861 0.0000 C 0 0 3.6226 -21.1260 0.0000 O 0 0 2.9082 -21.5386 0.0000 C 0 0 3.6292 -22.7907 0.0000 O 0 0 2.9126 -22.3820 0.0000 C 0 0 5.8216 -24.0902 0.0000 C 0 0 6.0770 -24.8726 0.0000 C 0 0 1 0 0 0 6.9001 -24.8716 0.0000 C 0 0 7.1533 -24.0884 0.0000 C 0 0 5.6408 -25.5727 0.0000 O 0 0 4.8162 -25.5448 0.0000 C 0 0 4.4320 -24.8151 0.0000 C 0 0 3.6083 -24.7870 0.0000 C 0 0 3.1711 -25.4876 0.0000 C 0 0 3.5636 -26.2181 0.0000 C 0 0 4.3861 -26.2427 0.0000 C 0 0 3.2205 -24.0588 0.0000 C 0 0 3.6572 -23.3589 0.0000 C 0 0 2.3960 -24.0306 0.0000 C 0 0 3 4 1 0 14 15 1 0 2 1 1 0 1 16 1 0 7 8 2 0 8 9 1 0 4 5 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 1 1 0 9 10 2 0 17 20 1 1 5 7 1 0 20 21 1 0 10 11 1 0 21 22 2 0 11 6 2 0 22 23 1 0 2 3 2 0 23 24 2 0 6 2 1 0 24 25 1 0 12 13 1 0 25 26 2 0 26 21 1 0 9 12 1 0 23 27 1 0 6 7 1 0 27 28 1 0 10 14 1 0 27 29 1 0 M END > CHEMBL219123 > 1 $$$$ CHEMBL375200 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 -0.3159 -23.6091 0.0000 N 0 0 -0.3169 -22.7860 0.0000 C 0 0 0.3995 -22.3727 0.0000 N 0 0 0.3966 -21.5422 0.0000 C 0 0 -0.3187 -21.1330 0.0000 N 0 0 -1.0318 -22.3732 0.0000 C 0 0 -1.0294 -21.5434 0.0000 C 0 0 -1.7457 -21.1284 0.0000 C 0 0 -2.4648 -21.5419 0.0000 C 0 0 -2.4631 -22.3748 0.0000 C 0 0 -1.7462 -22.7861 0.0000 C 0 0 -3.1816 -21.1260 0.0000 O 0 0 -3.8960 -21.5386 0.0000 C 0 0 -3.1749 -22.7907 0.0000 O 0 0 -3.8915 -22.3820 0.0000 C 0 0 -0.9825 -24.0902 0.0000 C 0 0 -0.7272 -24.8726 0.0000 C 0 0 1 0 0 0 0.0960 -24.8716 0.0000 C 0 0 0.3491 -24.0884 0.0000 C 0 0 -1.1634 -25.5727 0.0000 O 0 0 -1.9879 -25.5448 0.0000 C 0 0 -2.3721 -24.8151 0.0000 C 0 0 -3.1959 -24.7870 0.0000 C 0 0 -3.6331 -25.4876 0.0000 C 0 0 -3.2406 -26.2181 0.0000 C 0 0 -2.4181 -26.2427 0.0000 C 0 0 -4.4573 -25.4656 0.0000 O 0 0 -4.8927 -26.1664 0.0000 C 0 0 -5.7173 -26.1396 0.0000 C 0 0 3 4 1 0 14 15 1 0 2 1 1 0 1 16 1 0 7 8 2 0 8 9 1 0 4 5 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 1 1 0 9 10 2 0 17 20 1 1 5 7 1 0 20 21 1 0 10 11 1 0 21 22 2 0 11 6 2 0 22 23 1 0 2 3 2 0 23 24 2 0 6 2 1 0 24 25 1 0 12 13 1 0 25 26 2 0 26 21 1 0 9 12 1 0 6 7 1 0 27 28 1 0 24 27 1 0 10 14 1 0 28 29 1 0 M END > CHEMBL375200 > 1 $$$$ CHEMBL387167 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 12.7383 -15.1466 0.0000 N 0 0 12.7372 -14.3235 0.0000 C 0 0 13.4537 -13.9102 0.0000 N 0 0 13.4508 -13.0797 0.0000 C 0 0 12.7354 -12.6705 0.0000 N 0 0 12.0224 -13.9107 0.0000 C 0 0 12.0247 -13.0809 0.0000 C 0 0 11.3084 -12.6659 0.0000 C 0 0 10.5894 -13.0794 0.0000 C 0 0 10.5911 -13.9123 0.0000 C 0 0 11.3079 -14.3236 0.0000 C 0 0 9.8726 -12.6635 0.0000 O 0 0 9.1582 -13.0761 0.0000 C 0 0 9.8792 -14.3282 0.0000 O 0 0 9.1626 -13.9195 0.0000 C 0 0 12.0716 -15.6277 0.0000 C 0 0 12.3270 -16.4101 0.0000 C 0 0 1 0 0 0 13.1501 -16.4091 0.0000 C 0 0 13.4033 -15.6259 0.0000 C 0 0 11.8908 -17.1102 0.0000 O 0 0 11.0662 -17.0823 0.0000 C 0 0 10.6820 -16.3526 0.0000 C 0 0 9.8583 -16.3245 0.0000 C 0 0 9.4211 -17.0251 0.0000 C 0 0 9.8136 -17.7556 0.0000 C 0 0 10.6361 -17.7802 0.0000 C 0 0 8.5958 -17.0208 0.0000 C 0 0 7.7708 -17.0167 0.0000 C 0 0 8.6001 -16.1958 0.0000 C 0 0 8.5914 -17.8458 0.0000 C 0 0 14 15 1 0 2 1 1 0 1 16 1 0 7 8 2 0 8 9 1 0 4 5 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 1 1 0 9 10 2 0 17 20 1 1 5 7 1 0 20 21 1 0 10 11 1 0 21 22 2 0 11 6 2 0 22 23 1 0 2 3 2 0 23 24 2 0 6 2 1 0 24 25 1 0 12 13 1 0 25 26 2 0 26 21 1 0 9 12 1 0 24 27 1 0 6 7 1 0 27 28 1 0 10 14 1 0 27 29 1 0 3 4 1 0 27 30 1 0 M END > CHEMBL387167 > 1 $$$$ CHEMBL387166 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 5.8675 -15.1133 0.0000 N 0 0 5.8664 -14.2902 0.0000 C 0 0 6.5828 -13.8769 0.0000 N 0 0 6.5800 -13.0463 0.0000 C 0 0 5.8646 -12.6372 0.0000 N 0 0 5.1516 -13.8773 0.0000 C 0 0 5.1539 -13.0476 0.0000 C 0 0 4.4376 -12.6325 0.0000 C 0 0 3.7185 -13.0461 0.0000 C 0 0 3.7202 -13.8790 0.0000 C 0 0 4.4371 -14.2903 0.0000 C 0 0 3.0017 -12.6302 0.0000 O 0 0 2.2873 -13.0428 0.0000 C 0 0 3.0084 -14.2949 0.0000 O 0 0 2.2918 -13.8861 0.0000 C 0 0 5.2008 -15.5944 0.0000 C 0 0 5.4562 -16.3768 0.0000 C 0 0 1 0 0 0 6.2793 -16.3757 0.0000 C 0 0 6.5325 -15.5926 0.0000 C 0 0 5.0199 -17.0768 0.0000 O 0 0 4.1954 -17.0490 0.0000 C 0 0 3.8112 -16.3193 0.0000 C 0 0 2.9875 -16.2911 0.0000 C 0 0 2.5503 -16.9918 0.0000 C 0 0 2.9428 -17.7223 0.0000 C 0 0 3.7653 -17.7469 0.0000 C 0 0 1.7285 -16.9659 0.0000 O 0 0 1.2931 -17.6666 0.0000 C 0 0 0.8750 -18.3750 0.0000 F 0 0 0.5874 -17.2392 0.0000 F 0 0 1.9974 -18.0962 0.0000 F 0 0 2 1 1 0 1 16 1 0 7 8 2 0 8 9 1 0 4 5 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 1 1 0 9 10 2 0 17 20 1 1 5 7 1 0 20 21 1 0 10 11 1 0 21 22 2 0 11 6 2 0 22 23 1 0 2 3 2 0 23 24 2 0 6 2 1 0 24 25 1 0 12 13 1 0 25 26 2 0 26 21 1 0 9 12 1 0 6 7 1 0 27 28 1 0 24 27 1 0 10 14 1 0 28 29 1 0 3 4 1 0 28 30 1 0 14 15 1 0 28 31 1 0 M END > CHEMBL387166 > 1 $$$$ CHEMBL220185 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 6.7345 -4.9381 0.0000 C 0 0 7.1566 -5.6476 0.0000 N 0 0 7.9854 -5.6337 0.0000 C 0 0 8.3842 -4.9144 0.0000 N 0 0 7.1371 -4.2193 0.0000 C 0 0 7.9651 -4.2105 0.0000 C 0 0 8.3699 -3.4901 0.0000 C 0 0 7.9476 -2.7781 0.0000 C 0 0 7.1163 -2.7909 0.0000 C 0 0 6.7154 -3.5118 0.0000 C 0 0 5.9112 -4.9490 0.0000 N 0 0 8.3531 -2.0572 0.0000 O 0 0 7.9317 -1.3497 0.0000 C 0 0 6.6917 -2.0861 0.0000 O 0 0 5.4625 -4.2602 0.0000 C 0 0 4.6677 -4.4754 0.0000 C 0 0 1 0 0 0 4.6267 -5.2978 0.0000 C 0 0 5.3961 -5.5909 0.0000 C 0 0 4.0262 -3.9619 0.0000 O 0 0 3.2970 -4.3445 0.0000 C 0 0 2.5386 -5.5502 0.0000 C 0 0 3.2645 -5.1659 0.0000 N 0 0 2.6007 -3.9084 0.0000 C 0 0 1.8407 -5.1157 0.0000 C 0 0 1.8673 -4.2863 0.0000 C 0 0 1.1634 -3.8505 0.0000 C 0 0 0.4326 -4.2429 0.0000 C 0 0 0.4099 -5.0756 0.0000 C 0 0 1.1145 -5.5076 0.0000 C 0 0 5.8685 -2.1013 0.0000 C 0 0 11 15 1 0 6 7 2 0 7 8 1 0 3 4 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 11 1 0 8 9 2 0 16 19 1 1 4 6 1 0 19 20 1 0 20 23 2 0 9 10 1 0 24 21 1 0 10 5 2 0 21 22 2 0 22 20 1 0 1 2 2 0 25 23 1 0 1 11 1 0 5 1 1 0 24 25 1 0 5 6 1 0 25 26 2 0 12 13 1 0 26 27 1 0 8 12 1 0 27 28 2 0 2 3 1 0 28 29 1 0 29 24 2 0 9 14 1 0 14 30 1 0 M END > CHEMBL220185 > 1 $$$$ CHEMBL409613 SciTegic12291823182D 30 34 0 0 1 0 999 V2000 -1.6321 -2.4643 0.0000 C 0 0 -2.0461 -1.7507 0.0000 C 0 0 -2.8704 -1.7549 0.0000 C 0 0 -2.0361 -3.1790 0.0000 C 0 0 -2.8589 -3.1867 0.0000 C 0 0 -3.2769 -2.4714 0.0000 C 0 0 -4.1034 -2.4768 0.0000 C 0 0 -4.5129 -3.1966 0.0000 C 0 0 -4.0899 -3.9126 0.0000 C 0 0 -3.2648 -3.9037 0.0000 N 0 0 -0.8071 -2.4597 0.0000 O 0 0 -2.0403 1.5350 0.0000 C 0 0 -2.0436 0.7106 0.0000 C 0 0 -1.3280 0.2962 0.0000 C 0 0 -1.3277 1.9466 0.0000 C 0 0 -0.6153 1.5379 0.0000 C 0 0 -0.6187 0.7048 0.0000 C 0 0 0.1001 0.2910 0.0000 C 0 0 0.8250 0.7032 0.0000 N 0 0 0.8241 1.5363 0.0000 C 0 0 0.1026 1.9571 0.0000 N 0 0 0.0951 -0.5340 0.0000 N 0 0 -0.5722 -1.0156 0.0000 C 0 0 -0.3373 -1.7878 0.0000 C 0 0 1 0 0 0 0.5052 -1.8068 0.0000 C 0 0 0.7628 -1.0237 0.0000 C 0 0 -2.7556 1.9485 0.0000 O 0 0 -2.7544 2.7735 0.0000 C 0 0 -2.7607 0.2961 0.0000 O 0 0 -3.4711 0.7107 0.0000 C 0 0 5 4 2 0 8 9 1 0 4 1 1 0 9 10 2 0 10 5 1 0 1 11 1 0 2 3 1 0 5 6 1 0 3 6 2 0 6 7 1 0 1 2 2 0 7 8 2 0 12 13 2 0 13 14 1 0 14 17 2 0 16 15 2 0 15 12 1 0 16 17 1 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 18 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 22 1 0 24 11 1 1 12 27 1 0 27 28 1 0 13 29 1 0 29 30 1 0 M END > CHEMBL409613 > 1 $$$$ CHEMBL409651 SciTegic12291823182D 31 35 0 0 1 0 999 V2000 14.9012 -20.2415 0.0000 O 0 0 13.6672 -16.2447 0.0000 C 0 0 13.6639 -17.0697 0.0000 C 0 0 14.3799 -17.4842 0.0000 C 0 0 14.3802 -15.8329 0.0000 C 0 0 15.0930 -16.2418 0.0000 C 0 0 15.0896 -17.0754 0.0000 C 0 0 15.8088 -17.4894 0.0000 C 0 0 16.5341 -17.0770 0.0000 N 0 0 16.5332 -16.2434 0.0000 C 0 0 15.8113 -15.8224 0.0000 N 0 0 15.8038 -18.3149 0.0000 N 0 0 15.1361 -18.7967 0.0000 C 0 0 15.3711 -19.5693 0.0000 C 0 0 1 0 0 0 16.2141 -19.5884 0.0000 C 0 0 16.4718 -18.8048 0.0000 C 0 0 12.9515 -15.8310 0.0000 O 0 0 12.9527 -15.0055 0.0000 C 0 0 12.9464 -17.4844 0.0000 O 0 0 12.2356 -17.0695 0.0000 C 0 0 14.0757 -20.2489 0.0000 C 0 0 13.6590 -19.5360 0.0000 C 0 0 12.8343 -19.5430 0.0000 C 0 0 13.6740 -20.9650 0.0000 C 0 0 12.8508 -20.9756 0.0000 C 0 0 12.4305 -20.2634 0.0000 C 0 0 11.6056 -20.2722 0.0000 N 0 0 11.1999 -20.9925 0.0000 C 0 0 11.6252 -21.7054 0.0000 C 0 0 12.4487 -21.6930 0.0000 C 0 0 10.3744 -21.0028 0.0000 C 0 0 10 11 2 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 12 1 0 14 1 1 1 2 17 1 0 17 18 1 0 3 19 1 0 19 20 1 0 1 21 1 0 2 3 2 0 21 22 2 0 3 4 1 0 22 23 1 0 23 26 2 0 4 7 2 0 25 24 2 0 24 21 1 0 6 5 2 0 5 2 1 0 25 26 1 0 6 7 1 0 26 27 1 0 6 11 1 0 27 28 2 0 7 8 1 0 28 29 1 0 8 9 2 0 29 30 2 0 30 25 1 0 9 10 1 0 28 31 1 0 M END > CHEMBL409651 > 1 $$$$ CHEMBL263641 SciTegic12291823182D 30 34 0 0 1 0 999 V2000 14.8200 -20.1372 0.0000 C 0 0 14.4407 -19.4118 0.0000 C 0 0 13.6053 -19.3829 0.0000 C 0 0 14.3938 -20.8407 0.0000 C 0 0 13.5711 -20.8194 0.0000 C 0 0 13.1772 -20.0920 0.0000 C 0 0 12.3506 -20.0706 0.0000 N 0 0 11.9193 -20.7739 0.0000 C 0 0 12.3205 -21.5033 0.0000 C 0 0 13.1421 -21.5202 0.0000 C 0 0 15.6603 -20.1691 0.0000 O 0 0 14.5609 -16.1486 0.0000 C 0 0 14.5315 -16.9698 0.0000 C 0 0 15.2339 -17.4053 0.0000 C 0 0 15.2825 -15.7545 0.0000 C 0 0 15.9836 -16.1837 0.0000 C 0 0 15.9571 -17.0205 0.0000 C 0 0 16.6644 -17.4553 0.0000 C 0 0 17.3988 -17.0616 0.0000 N 0 0 17.4257 -16.2296 0.0000 C 0 0 16.7120 -15.7875 0.0000 N 0 0 16.6356 -18.2797 0.0000 N 0 0 15.9553 -18.7377 0.0000 C 0 0 16.1524 -19.5081 0.0000 C 0 0 1 0 0 0 17.0086 -19.5631 0.0000 C 0 0 17.2886 -18.7845 0.0000 C 0 0 13.8555 -15.7118 0.0000 O 0 0 13.8819 -14.8897 0.0000 C 0 0 13.8054 -17.3648 0.0000 O 0 0 13.1049 -16.9299 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 12 13 2 0 13 14 1 0 14 17 2 0 16 15 2 0 15 12 1 0 16 17 1 0 16 21 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 18 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 22 1 0 24 11 1 1 12 27 1 0 27 28 1 0 13 29 1 0 29 30 1 0 1 11 1 0 M END > CHEMBL263641 > 1 $$$$ CHEMBL218955 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 6.7355 -4.9388 0.0000 C 0 0 7.1576 -5.6484 0.0000 N 0 0 7.9865 -5.6344 0.0000 C 0 0 8.3854 -4.9150 0.0000 N 0 0 7.1380 -4.2199 0.0000 C 0 0 7.9662 -4.2111 0.0000 C 0 0 8.3710 -3.4906 0.0000 C 0 0 7.9487 -2.7785 0.0000 C 0 0 7.1173 -2.7913 0.0000 C 0 0 6.7163 -3.5123 0.0000 C 0 0 5.9120 -4.9497 0.0000 N 0 0 8.3542 -2.0575 0.0000 O 0 0 7.9328 -1.3499 0.0000 C 0 0 5.4633 -4.2608 0.0000 C 0 0 4.6684 -4.4760 0.0000 C 0 0 1 0 0 0 4.6274 -5.2986 0.0000 C 0 0 5.3969 -5.5916 0.0000 C 0 0 4.0267 -3.9625 0.0000 O 0 0 3.2975 -4.3451 0.0000 C 0 0 2.5389 -5.5510 0.0000 C 0 0 3.2649 -5.1666 0.0000 C 0 0 2.6010 -3.9090 0.0000 C 0 0 1.8410 -5.1164 0.0000 C 0 0 1.8675 -4.2869 0.0000 C 0 0 1.1636 -3.8511 0.0000 C 0 0 0.4326 -4.2435 0.0000 C 0 0 0.4100 -5.0763 0.0000 C 0 0 1.1147 -5.5084 0.0000 C 0 0 -0.2656 -3.8115 0.0000 O 0 0 -0.9904 -4.2024 0.0000 C 0 0 6.6926 -2.0863 0.0000 O 0 0 5.8678 -2.1017 0.0000 C 0 0 11 14 1 0 7 8 1 0 3 4 2 0 8 9 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 11 1 0 4 6 1 0 15 18 1 1 9 10 1 0 18 19 1 0 19 22 2 0 10 5 2 0 23 20 1 0 1 2 2 0 20 21 2 0 21 19 1 0 1 11 1 0 24 22 1 0 5 1 1 0 5 6 1 0 23 24 1 0 12 13 1 0 24 25 2 0 8 12 1 0 25 26 1 0 2 3 1 0 26 27 2 0 9 31 1 0 27 28 1 0 28 23 2 0 6 7 2 0 29 30 1 0 26 29 1 0 31 32 1 0 M END > CHEMBL218955 > 1 $$$$ CHEMBL261711 SciTegic12291823182D 32 36 0 0 1 0 999 V2000 7.0877 -20.1723 0.0000 O 0 0 5.8538 -16.1761 0.0000 C 0 0 5.8506 -17.0009 0.0000 C 0 0 6.5665 -17.4154 0.0000 C 0 0 6.5668 -15.7643 0.0000 C 0 0 7.2794 -16.1732 0.0000 C 0 0 7.2761 -17.0066 0.0000 C 0 0 7.9951 -17.4206 0.0000 C 0 0 8.7203 -17.0082 0.0000 N 0 0 8.7195 -16.1748 0.0000 C 0 0 7.9976 -15.7537 0.0000 N 0 0 7.9901 -18.2460 0.0000 N 0 0 7.3226 -18.7277 0.0000 C 0 0 7.5575 -19.5003 0.0000 C 0 0 1 0 0 0 8.4005 -19.5193 0.0000 C 0 0 8.6581 -18.7359 0.0000 C 0 0 5.1383 -15.7623 0.0000 O 0 0 5.1395 -14.9370 0.0000 C 0 0 5.1332 -17.4155 0.0000 O 0 0 4.4224 -17.0007 0.0000 C 0 0 6.2624 -20.1797 0.0000 C 0 0 5.8457 -19.4669 0.0000 C 0 0 5.0211 -19.4739 0.0000 C 0 0 5.8607 -20.8958 0.0000 C 0 0 5.0375 -20.9063 0.0000 C 0 0 4.6174 -20.1942 0.0000 C 0 0 3.7924 -20.2031 0.0000 C 0 0 3.3867 -20.9233 0.0000 C 0 0 3.8120 -21.6360 0.0000 C 0 0 4.6356 -21.6236 0.0000 C 0 0 2.5615 -20.9336 0.0000 O 0 0 2.1399 -20.2240 0.0000 C 0 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 12 1 0 14 1 1 1 2 17 1 0 17 18 1 0 3 19 1 0 19 20 1 0 1 21 1 0 2 3 2 0 21 22 2 0 3 4 1 0 22 23 1 0 23 26 2 0 4 7 2 0 25 24 2 0 24 21 1 0 6 5 2 0 5 2 1 0 25 26 1 0 6 7 1 0 26 27 1 0 6 11 1 0 27 28 2 0 7 8 1 0 28 29 1 0 8 9 2 0 29 30 2 0 30 25 1 0 9 10 1 0 28 31 1 0 10 11 2 0 31 32 1 0 M END > CHEMBL261711 > 1 $$$$ CHEMBL263642 SciTegic12291823182D 30 34 0 0 1 0 999 V2000 -1.6348 -15.6000 0.0000 C 0 0 -1.6359 -16.4273 0.0000 C 0 0 -0.9211 -16.8402 0.0000 C 0 0 -0.9229 -15.1872 0.0000 C 0 0 -0.2075 -15.5963 0.0000 C 0 0 -0.2087 -16.4294 0.0000 C 0 0 0.5082 -16.8447 0.0000 C 0 0 1.2308 -16.4315 0.0000 N 0 0 1.2320 -15.5984 0.0000 C 0 0 0.5106 -15.1785 0.0000 N 0 0 0.5058 -17.6697 0.0000 N 0 0 -0.1622 -18.1506 0.0000 C 0 0 0.0905 -18.9359 0.0000 C 0 0 1 0 0 0 0.9156 -18.9382 0.0000 C 0 0 1.1726 -18.1543 0.0000 C 0 0 -0.3959 -19.6012 0.0000 O 0 0 -2.3493 -15.1876 0.0000 O 0 0 -2.3495 -14.3626 0.0000 C 0 0 -2.3507 -16.8393 0.0000 O 0 0 -3.0649 -16.4262 0.0000 C 0 0 -1.2209 -19.5980 0.0000 C 0 0 -1.6282 -18.8798 0.0000 C 0 0 -2.4525 -18.8762 0.0000 C 0 0 -2.8686 -19.5896 0.0000 C 0 0 -1.6316 -20.3081 0.0000 C 0 0 -2.4527 -20.3056 0.0000 C 0 0 -2.8637 -21.0143 0.0000 C 0 0 -2.4547 -21.7261 0.0000 C 0 0 -1.6304 -21.7247 0.0000 C 0 0 -1.2231 -21.0153 0.0000 C 0 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 24 26 1 0 25 21 1 0 11 12 1 0 25 26 1 0 2 3 1 0 26 27 2 0 3 6 2 0 27 28 1 0 1 2 2 0 28 29 2 0 12 13 1 0 29 30 1 0 30 25 2 0 M END > CHEMBL263642 > 1 $$$$ CHEMBL410834 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -1.5476 -4.0084 0.0000 C 0 0 -1.7338 -1.8337 0.0000 C 0 0 -1.3983 -2.5873 0.0000 C 0 0 -3.0392 -2.4149 0.0000 C 0 0 -0.1219 1.3408 0.0000 C 0 0 -0.1690 -0.3816 0.0000 C 0 0 -1.5039 -0.3816 0.0000 C 0 0 -0.4239 -1.1662 0.0000 C 0 0 1.3070 2.1658 0.0000 C 0 0 1.0632 -2.8460 0.0000 C 0 0 0.5782 -3.5135 0.0000 O 0 0 -0.2422 -3.4272 0.0000 C 0 0 -0.7272 -4.0947 0.0000 C 0 0 -0.3916 -4.8484 0.0000 O 0 0 -0.8765 -5.5158 0.0000 C 0 0 -0.5778 -2.6736 0.0000 C 0 0 -1.8832 -3.2548 0.0000 C 0 0 -2.7037 -3.1685 0.0000 N 0 0 -2.5543 -1.7474 0.0000 N 0 0 -1.2489 -1.1662 0.0000 N 0 0 -0.8364 0.1033 0.0000 C 0 0 2 0 0 0 -0.8364 0.9283 0.0000 O 0 0 -0.1219 2.1658 0.0000 C 0 0 0.5925 2.5783 0.0000 C 0 0 2.0215 2.5783 0.0000 C 0 0 1.3070 1.3408 0.0000 C 0 0 0.5925 0.9283 0.0000 C 0 0 2.0215 0.9283 0.0000 C 0 0 2.7359 1.3408 0.0000 C 0 0 2.7359 2.1658 0.0000 C 0 0 13 1 1 0 1 17 2 0 3 2 1 0 2 20 1 0 2 19 2 0 16 3 2 0 17 3 1 0 4 18 2 0 4 19 1 0 5 27 2 0 5 23 1 0 5 22 1 0 21 6 1 0 6 8 1 0 7 21 1 0 7 20 1 0 8 20 1 0 9 25 2 0 26 9 1 0 24 9 1 0 10 11 1 0 12 11 1 0 13 12 2 0 12 16 1 0 13 14 1 0 15 14 1 0 17 18 1 0 21 22 1 6 23 24 2 0 25 30 1 0 26 28 2 0 27 26 1 0 29 28 1 0 30 29 2 0 M END > CHEMBL410834 > 1 $$$$ CHEMBL259295 SciTegic12291823182D 26 29 0 0 1 0 999 V2000 7.4527 -6.3250 0.0000 C 0 0 7.4516 -7.1523 0.0000 C 0 0 8.1664 -7.5652 0.0000 C 0 0 8.1646 -5.9122 0.0000 C 0 0 8.8800 -6.3213 0.0000 C 0 0 8.8788 -7.1544 0.0000 C 0 0 9.5957 -7.5697 0.0000 C 0 0 10.3183 -7.1565 0.0000 N 0 0 10.3195 -6.3234 0.0000 C 0 0 9.5981 -5.9035 0.0000 N 0 0 9.5933 -8.3947 0.0000 N 0 0 8.9253 -8.8756 0.0000 C 0 0 9.1780 -9.6609 0.0000 C 0 0 1 0 0 0 10.0031 -9.6632 0.0000 C 0 0 10.2601 -8.8793 0.0000 C 0 0 8.6914 -10.3266 0.0000 O 0 0 6.7382 -5.9126 0.0000 O 0 0 6.7380 -5.0876 0.0000 C 0 0 6.7368 -7.5643 0.0000 O 0 0 6.0226 -7.1512 0.0000 C 0 0 7.8664 -10.3190 0.0000 C 0 0 7.4630 -9.5992 0.0000 C 0 0 6.6388 -9.5913 0.0000 C 0 0 6.2189 -10.3024 0.0000 N 0 0 6.6293 -11.0231 0.0000 C 0 0 7.4521 -11.0275 0.0000 C 0 0 2 3 1 0 3 6 2 0 1 2 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 M END > CHEMBL259295 > 1 $$$$ CHEMBL374993 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 7.1224 -4.9056 0.0000 C 0 0 7.5581 -5.6041 0.0000 N 0 0 8.3872 -5.5675 0.0000 C 0 0 8.7683 -4.8510 0.0000 N 0 0 7.5099 -4.1783 0.0000 C 0 0 8.3322 -4.1498 0.0000 C 0 0 8.7180 -3.4205 0.0000 C 0 0 8.2858 -2.7243 0.0000 C 0 0 7.4496 -2.7624 0.0000 C 0 0 7.0711 -3.4768 0.0000 C 0 0 6.3093 -4.9339 0.0000 N 0 0 8.6775 -1.9915 0.0000 O 0 0 9.5042 -1.9623 0.0000 C 0 0 6.9997 -2.0783 0.0000 O 0 0 6.1867 -2.1227 0.0000 C 0 0 5.8695 -4.2336 0.0000 C 0 0 5.0805 -4.4331 0.0000 C 0 0 1 0 0 0 5.0168 -5.2419 0.0000 C 0 0 5.7829 -5.5547 0.0000 C 0 0 4.4396 -3.9046 0.0000 O 0 0 3.7054 -4.2804 0.0000 C 0 0 3.0155 -3.8284 0.0000 C 0 0 2.9266 -5.4808 0.0000 C 0 0 3.6653 -5.1078 0.0000 C 0 0 2.2368 -5.0284 0.0000 C 0 0 2.2736 -4.2027 0.0000 N 0 0 12 13 1 0 8 12 1 0 2 3 1 0 9 14 1 0 6 7 2 0 14 15 1 0 11 16 1 0 7 8 1 0 3 4 2 0 8 9 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 11 1 0 4 6 1 0 17 20 1 1 9 10 1 0 20 21 1 0 10 5 2 0 21 22 2 0 22 26 1 0 1 2 2 0 25 23 1 0 1 11 1 0 23 24 2 0 24 21 1 0 25 26 2 0 5 1 1 0 5 6 1 0 M END > CHEMBL374993 > 1 $$$$ CHEMBL260006 SciTegic12291823182D 26 29 0 0 1 0 999 V2000 -1.4070 -20.4554 0.0000 O 0 0 -2.6403 -16.4608 0.0000 C 0 0 -2.6436 -17.2853 0.0000 C 0 0 -1.9280 -17.6996 0.0000 C 0 0 -1.9277 -16.0492 0.0000 C 0 0 -1.2153 -16.4579 0.0000 C 0 0 -1.2187 -17.2910 0.0000 C 0 0 -0.4999 -17.7048 0.0000 C 0 0 0.2250 -17.2926 0.0000 N 0 0 0.2241 -16.4595 0.0000 C 0 0 -0.4974 -16.0387 0.0000 N 0 0 -0.5049 -18.5298 0.0000 N 0 0 -1.1722 -19.0114 0.0000 C 0 0 -0.9373 -19.7836 0.0000 C 0 0 1 0 0 0 -0.0948 -19.8026 0.0000 C 0 0 0.1628 -19.0195 0.0000 C 0 0 -3.3556 -16.0473 0.0000 O 0 0 -3.3544 -15.2223 0.0000 C 0 0 -3.3607 -17.6998 0.0000 O 0 0 -4.0711 -17.2851 0.0000 C 0 0 -2.2320 -20.4628 0.0000 C 0 0 -2.6485 -19.7503 0.0000 C 0 0 -3.4727 -19.7573 0.0000 C 0 0 -3.8796 -20.4760 0.0000 C 0 0 -3.4563 -21.1891 0.0000 C 0 0 -2.6335 -21.1785 0.0000 N 0 0 6 7 1 0 6 11 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 12 1 0 14 1 1 1 2 17 1 0 17 18 1 0 3 19 1 0 19 20 1 0 1 21 1 0 2 3 2 0 21 22 2 0 3 4 1 0 22 23 1 0 4 7 2 0 23 24 2 0 6 5 2 0 24 25 1 0 5 2 1 0 25 26 2 0 26 21 1 0 M END > CHEMBL260006 > 1 $$$$ CHEMBL385754 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 4.1918 -3.0204 0.0000 C 0 0 4.8869 -2.6018 0.0000 N 0 0 4.8752 -1.7670 0.0000 C 0 0 4.1565 -1.3714 0.0000 N 0 0 3.4647 -2.6232 0.0000 C 0 0 3.4485 -1.7994 0.0000 C 0 0 2.7246 -1.4034 0.0000 C 0 0 2.0309 -1.8216 0.0000 C 0 0 2.0410 -2.6550 0.0000 C 0 0 2.7617 -3.0524 0.0000 C 0 0 1.3217 -1.4123 0.0000 O 0 0 1.3334 -3.0893 0.0000 O 0 0 4.2092 -3.8452 0.0000 N 0 0 3.5552 -4.3465 0.0000 C 0 0 3.8266 -5.1256 0.0000 C 0 0 1 0 0 0 4.6515 -5.1083 0.0000 C 0 0 4.8897 -4.3184 0.0000 C 0 0 3.3958 -5.8291 0.0000 O 0 0 2.5710 -5.8077 0.0000 C 0 0 2.1798 -5.0811 0.0000 N 0 0 1.3559 -5.0594 0.0000 C 0 0 0.9242 -5.7635 0.0000 C 0 0 1.3224 -6.4909 0.0000 C 0 0 2.1451 -6.5090 0.0000 N 0 0 0.6081 -2.6962 0.0000 C 0 0 0.6073 -1.8250 0.0000 C 0 0 0.0994 -5.7432 0.0000 Cl 0 0 1 13 1 0 13 14 1 0 2 3 1 0 6 7 2 0 7 8 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 13 1 0 3 4 2 0 15 18 1 1 8 9 2 0 18 19 1 0 4 6 1 0 19 20 2 0 9 10 1 0 20 21 1 0 10 5 2 0 21 22 2 0 1 2 2 0 22 23 1 0 8 11 1 0 23 24 2 0 24 19 1 0 5 1 1 0 12 25 1 0 9 12 1 0 11 26 1 0 5 6 1 0 22 27 1 0 M END > CHEMBL385754 > 1 $$$$ CHEMBL19224 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 1.0417 -0.0667 0.0000 C 0 0 0.1375 0.0833 0.0000 C 0 0 1.3500 -0.9292 0.0000 C 0 0 1.6375 0.6125 0.0000 C 0 0 2.2500 -1.1000 0.0000 C 0 0 2.8417 -0.4042 0.0000 C 0 0 2.5375 0.4458 0.0000 C 0 0 -0.1458 0.9458 0.0000 N 0 0 -2.8333 -0.9542 0.0000 C 0 0 -0.4458 -0.5917 0.0000 C 0 0 -3.1458 -0.0917 0.0000 C 0 0 -1.9375 -1.1167 0.0000 C 0 0 -1.3375 -0.4292 0.0000 C 0 0 -2.5458 0.5875 0.0000 C 0 0 -1.6458 0.4208 0.0000 C 0 0 0.4375 1.6458 0.0000 C 0 0 2.5542 -1.9625 0.0000 O 0 0 3.7375 -0.5750 0.0000 O 0 0 -3.4375 -1.6500 0.0000 O 0 0 -4.0375 0.0625 0.0000 O 0 0 1.3292 1.4750 0.0000 C 0 0 1.9542 -2.6542 0.0000 C 0 0 -3.1250 -2.5125 0.0000 C 0 0 4.3417 0.1083 0.0000 C 0 0 -4.3458 0.9250 0.0000 C 0 0 2 1 2 0 3 1 1 0 4 1 1 0 5 3 2 0 6 7 2 0 7 4 1 0 8 2 1 0 9 12 2 0 10 2 1 0 11 14 2 0 12 13 1 0 13 10 1 0 14 15 1 0 15 13 2 0 16 21 1 0 17 5 1 0 18 6 1 0 19 9 1 0 20 11 1 0 21 4 2 0 22 17 1 0 23 19 1 0 24 18 1 0 25 20 1 0 8 16 2 0 5 6 1 0 9 11 1 0 M END > CHEMBL19224 > 1 $$$$ CHEMBL219445 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -2.9369 0.6110 0.0000 C 0 0 -0.9604 -0.3152 0.0000 C 0 0 -1.7809 -0.2289 0.0000 C 0 0 -0.8111 1.1060 0.0000 C 0 0 1.6973 -2.0608 0.0000 C 0 0 -0.4853 -2.3964 0.0000 C 0 0 0.1821 -1.2404 0.0000 C 0 0 -1.0374 -1.7833 0.0000 C 0 0 3.1262 -1.2358 0.0000 C 0 0 -3.2357 -2.2312 0.0000 C 0 0 -3.5712 -1.4776 0.0000 O 0 0 -3.0863 -0.8101 0.0000 C 0 0 -2.2658 -0.8964 0.0000 C 0 0 -0.4755 0.3523 0.0000 N 0 0 -1.6315 1.1922 0.0000 N 0 0 -2.1165 0.5248 0.0000 C 0 0 -3.4219 -0.0564 0.0000 C 0 0 -4.2423 0.0298 0.0000 O 0 0 -4.5779 0.7835 0.0000 C 0 0 -0.6249 -1.0688 0.0000 N 0 0 0.2683 -2.0608 0.0000 C 0 0 2 0 0 0 0.9828 -2.4733 0.0000 O 0 0 2.4118 -2.4733 0.0000 N 0 0 3.1262 -2.0608 0.0000 C 0 0 3.8407 -2.4733 0.0000 C 0 0 4.5552 -2.0608 0.0000 C 0 0 4.5552 -1.2358 0.0000 C 0 0 3.8407 -0.8233 0.0000 C 0 0 2.4118 -0.8233 0.0000 N 0 0 1.6973 -1.2358 0.0000 C 0 0 17 1 1 0 1 16 2 0 3 2 1 0 2 20 1 0 2 14 2 0 13 3 2 0 16 3 1 0 4 15 2 0 4 14 1 0 5 23 2 0 5 30 1 0 5 22 1 0 21 6 1 0 6 8 1 0 7 21 1 0 7 20 1 0 8 20 1 0 9 28 2 0 24 9 1 0 9 29 1 0 10 11 1 0 12 11 1 0 17 12 2 0 12 13 1 0 16 15 1 0 17 18 1 0 19 18 1 0 21 22 1 6 24 23 1 0 24 25 2 0 26 25 1 0 27 26 2 0 28 27 1 0 30 29 2 0 M END > CHEMBL219445 > 1 $$$$ CHEMBL63 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 13.7804 -22.9322 0.0000 C 0 0 11.6593 -25.7778 0.0000 N 0 0 11.1587 -25.1208 0.0000 C 0 0 13.0746 -24.1786 0.0000 C 0 0 13.0700 -23.3537 0.0000 C 0 0 12.4177 -24.6794 0.0000 C 0 0 13.7758 -22.1073 0.0000 O 0 0 11.6330 -24.4383 0.0000 C 0 0 14.4998 -23.3446 0.0000 C 0 0 12.4343 -25.4987 0.0000 C 0 0 10.3302 -25.1386 0.0000 O 0 0 13.7987 -24.5819 0.0000 C 0 0 14.5091 -24.1695 0.0000 C 0 0 14.4816 -21.6902 0.0000 C 0 0 15.2102 -22.9184 0.0000 O 0 0 15.9251 -23.3262 0.0000 C 0 0 14.4724 -20.8663 0.0000 C 0 0 15.2683 -21.9385 0.0000 C 0 0 15.7499 -21.2653 0.0000 C 0 0 15.2511 -20.6040 0.0000 C 0 0 2 10 1 0 3 8 1 0 4 5 1 0 5 1 2 0 6 4 1 0 7 1 1 0 8 6 1 0 9 1 1 0 10 6 1 0 11 3 2 0 12 13 1 0 13 9 2 0 14 7 1 0 15 9 1 0 16 15 1 0 17 14 1 0 18 14 1 0 19 18 1 0 20 17 1 0 4 12 2 0 20 19 1 0 2 3 1 0 M END > CHEMBL63 > 0 $$$$ CHEMBL251785 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 -2.9013 -0.2496 0.0000 N 0 0 -5.5917 0.1542 0.0000 C 0 0 -5.5917 -0.6708 0.0000 C 0 0 -4.8796 -1.0792 0.0000 S 0 0 -4.8796 0.5708 0.0000 N 0 0 -4.1676 0.1542 0.0000 N 0 0 -4.1631 -0.6673 0.0000 C 0 0 -3.3805 -0.9169 0.0000 N 0 0 -3.3878 0.4122 0.0000 C 0 0 -3.1386 1.1961 0.0000 C 0 0 -2.3312 1.3710 0.0000 C 0 0 -2.0804 2.1562 0.0000 C 0 0 -2.6361 2.7672 0.0000 C 0 0 -3.4457 2.5877 0.0000 C 0 0 -3.6927 1.8028 0.0000 C 0 0 -6.3117 0.5624 0.0000 C 0 0 -6.3107 1.3886 0.0000 C 0 0 -7.0208 1.7989 0.0000 C 0 0 -7.7399 1.3842 0.0000 C 0 0 -7.7367 0.5550 0.0000 C 0 0 -7.0188 0.1484 0.0000 C 0 0 -7.0272 2.6239 0.0000 O 0 0 -8.4570 1.7937 0.0000 O 0 0 -6.3156 3.0381 0.0000 C 0 0 -9.1693 1.3782 0.0000 C 0 0 -1.7764 0.7604 0.0000 O 0 0 -0.9702 0.9355 0.0000 C 0 0 2 3 1 0 13 14 1 0 2 5 2 0 14 15 2 0 15 10 1 0 9 10 1 0 3 4 1 0 7 8 2 0 16 17 2 0 8 1 1 0 17 18 1 0 1 9 2 0 18 19 2 0 9 6 1 0 19 20 1 0 4 7 1 0 20 21 2 0 21 16 1 0 2 16 1 0 6 5 1 0 18 22 1 0 10 11 2 0 19 23 1 0 6 7 1 0 22 24 1 0 11 12 1 0 23 25 1 0 11 26 1 0 12 13 2 0 26 27 1 0 M END > CHEMBL251785 > 0 $$$$ CHEMBL255130 SciTegic12291823182D 18 19 0 0 0 0 999 V2000 -3.5123 -26.3582 0.0000 C 0 0 -2.0814 -27.1853 0.0000 C 0 0 -2.0845 -26.3542 0.0000 C 0 0 -2.8026 -25.9454 0.0000 C 0 0 -1.3721 -25.9382 0.0000 C 0 0 -0.6556 -26.3471 0.0000 C 0 0 -0.5677 -27.1630 0.0000 S 0 0 0.2401 -27.3305 0.0000 C 0 0 0.6491 -26.6139 0.0000 N 0 0 0.0939 -26.0037 0.0000 C 0 0 0.5794 -28.0825 0.0000 S 0 0 0.2590 -25.1955 0.0000 O 0 0 -2.8007 -27.5987 0.0000 C 0 0 -3.5150 -27.1826 0.0000 C 0 0 -2.8031 -28.4237 0.0000 O 0 0 -3.5187 -28.8341 0.0000 C 0 0 -4.2310 -27.5925 0.0000 O 0 0 -4.9439 -27.1775 0.0000 C 0 0 4 1 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 M END > CHEMBL255130 > 0 $$$$ CHEMBL404723 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 13.9409 -25.7675 0.0000 C 0 0 13.9396 -26.5950 0.0000 C 0 0 14.6526 -27.0079 0.0000 C 0 0 15.3719 -26.5945 0.0000 C 0 0 15.3687 -25.7634 0.0000 C 0 0 14.6507 -25.3546 0.0000 C 0 0 16.0812 -25.3474 0.0000 C 0 0 16.7977 -25.7563 0.0000 C 0 0 16.8855 -26.5722 0.0000 S 0 0 17.6934 -26.7397 0.0000 C 0 0 18.1023 -26.0231 0.0000 N 0 0 17.5473 -25.4129 0.0000 C 0 0 18.0327 -27.4917 0.0000 S 0 0 17.7124 -24.6047 0.0000 O 0 0 14.6512 -27.8329 0.0000 O 0 0 13.9361 -28.2442 0.0000 C 0 0 13.2246 -27.0065 0.0000 O 0 0 12.5107 -26.5930 0.0000 C 0 0 13.1848 -27.9103 0.0000 C 0 0 12.6317 -28.5224 0.0000 C 0 0 13.0431 -29.2376 0.0000 C 0 0 13.8503 -29.0673 0.0000 C 0 0 12.5119 -25.7680 0.0000 C 0 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 16 19 1 0 4 5 1 0 2 3 1 0 5 6 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 16 1 0 9 10 1 0 18 23 1 0 M END > CHEMBL404723 > 0 $$$$ CHEMBL255820 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 13.8767 -19.8503 0.0000 C 0 0 13.8755 -20.6779 0.0000 C 0 0 14.5884 -21.0908 0.0000 C 0 0 15.3078 -20.6774 0.0000 C 0 0 15.3046 -19.8464 0.0000 C 0 0 14.5864 -19.4375 0.0000 C 0 0 16.0170 -19.4302 0.0000 C 0 0 16.7335 -19.8392 0.0000 C 0 0 16.8214 -20.6551 0.0000 S 0 0 17.6292 -20.8226 0.0000 C 0 0 18.0382 -20.1061 0.0000 N 0 0 17.4830 -19.4958 0.0000 C 0 0 17.9684 -21.5746 0.0000 S 0 0 17.6481 -18.6875 0.0000 O 0 0 14.5870 -21.9158 0.0000 O 0 0 13.8718 -22.3272 0.0000 C 0 0 13.1604 -21.0893 0.0000 O 0 0 12.4465 -20.6759 0.0000 C 0 0 12.3612 -19.8581 0.0000 C 0 0 11.5545 -19.6854 0.0000 C 0 0 11.1410 -20.3993 0.0000 C 0 0 11.6922 -21.0131 0.0000 C 0 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 18 19 1 0 4 5 1 0 2 3 1 0 5 6 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 18 1 0 M END > CHEMBL255820 > 0 $$$$ CHEMBL270634 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 3.9236 -18.2375 0.0000 C 0 0 3.9224 -19.0648 0.0000 C 0 0 4.6372 -19.4777 0.0000 C 0 0 5.3537 -19.0644 0.0000 C 0 0 5.3508 -18.2338 0.0000 C 0 0 4.6354 -17.8247 0.0000 C 0 0 3.2076 -19.4768 0.0000 O 0 0 2.4935 -19.0637 0.0000 C 0 0 4.6370 -20.3027 0.0000 O 0 0 3.9225 -20.7150 0.0000 C 0 0 3.1694 -20.3826 0.0000 C 0 0 2.6172 -20.9955 0.0000 C 0 0 3.0296 -21.7102 0.0000 C 0 0 3.8365 -21.5387 0.0000 C 0 0 6.0637 -17.8186 0.0000 C 0 0 6.7797 -18.2284 0.0000 C 0 0 6.8728 -19.0475 0.0000 S 0 0 7.6804 -19.2160 0.0000 C 0 0 8.0902 -18.4999 0.0000 N 0 0 7.5358 -17.8890 0.0000 C 0 0 8.0188 -19.9684 0.0000 S 0 0 7.7045 -17.0815 0.0000 O 0 0 2 3 1 0 5 6 2 0 6 1 1 0 1 2 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 10 1 0 2 7 1 0 5 15 1 0 3 4 2 0 15 16 2 0 16 17 1 0 7 8 1 0 3 9 1 0 4 5 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 16 1 0 9 10 1 0 18 21 2 0 10 11 1 0 20 22 2 0 M END > CHEMBL270634 > 0 $$$$ CHEMBL270637 SciTegic12291823182D 20 21 0 0 0 0 999 V2000 13.6338 -13.3695 0.0000 C 0 0 13.6325 -14.1971 0.0000 C 0 0 14.3455 -14.6101 0.0000 C 0 0 15.0648 -14.1966 0.0000 C 0 0 15.0617 -13.3655 0.0000 C 0 0 14.3435 -12.9568 0.0000 C 0 0 15.7741 -12.9495 0.0000 C 0 0 16.4906 -13.3585 0.0000 C 0 0 16.5785 -14.1743 0.0000 S 0 0 17.3864 -14.3418 0.0000 C 0 0 17.7953 -13.6252 0.0000 N 0 0 17.2402 -13.0150 0.0000 C 0 0 17.7256 -15.0939 0.0000 S 0 0 17.4053 -12.2067 0.0000 O 0 0 14.3441 -15.4351 0.0000 O 0 0 13.6290 -15.8464 0.0000 C 0 0 12.9175 -14.6086 0.0000 O 0 0 12.2036 -14.1950 0.0000 C 0 0 13.6277 -16.6714 0.0000 C 0 0 11.4886 -14.6066 0.0000 C 0 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 16 19 1 0 4 5 1 0 18 20 1 0 M END > CHEMBL270637 > 0 $$$$ CHEMBL270636 SciTegic12291823182D 19 20 0 0 0 0 999 V2000 5.2232 -13.7448 0.0000 C 0 0 5.2219 -14.5724 0.0000 C 0 0 5.9349 -14.9852 0.0000 C 0 0 6.6542 -14.5718 0.0000 C 0 0 6.6510 -13.7408 0.0000 C 0 0 5.9329 -13.3320 0.0000 C 0 0 7.3634 -13.3247 0.0000 C 0 0 8.0799 -13.7337 0.0000 C 0 0 8.1677 -14.5495 0.0000 S 0 0 8.9755 -14.7170 0.0000 C 0 0 9.3845 -14.0005 0.0000 N 0 0 8.8294 -13.3903 0.0000 C 0 0 9.3148 -15.4690 0.0000 S 0 0 8.9945 -12.5820 0.0000 O 0 0 5.9335 -15.8102 0.0000 O 0 0 5.2184 -16.2216 0.0000 C 0 0 4.5069 -14.9838 0.0000 O 0 0 3.7931 -14.5703 0.0000 C 0 0 5.2170 -17.0465 0.0000 C 0 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 16 19 1 0 M END > CHEMBL270636 > 0 $$$$ CHEMBL270635 SciTegic12291823182D 19 20 0 0 0 0 999 V2000 -3.3289 -14.1984 0.0000 C 0 0 -3.3302 -15.0260 0.0000 C 0 0 -2.6172 -15.4388 0.0000 C 0 0 -1.8980 -15.0255 0.0000 C 0 0 -1.9011 -14.1944 0.0000 C 0 0 -2.6192 -13.7856 0.0000 C 0 0 -1.1887 -13.7783 0.0000 C 0 0 -0.4722 -14.1873 0.0000 C 0 0 -0.3844 -15.0031 0.0000 S 0 0 0.4234 -15.1706 0.0000 C 0 0 0.8323 -14.4541 0.0000 N 0 0 0.2773 -13.8439 0.0000 C 0 0 0.7627 -15.9226 0.0000 S 0 0 0.4424 -13.0357 0.0000 O 0 0 -2.6186 -16.2638 0.0000 O 0 0 -3.3337 -16.6752 0.0000 C 0 0 -4.0452 -15.4374 0.0000 O 0 0 -4.7590 -15.0239 0.0000 C 0 0 -5.4741 -15.4354 0.0000 C 0 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 18 19 1 0 M END > CHEMBL270635 > 1 $$$$ CHEMBL305763 SciTegic12291823182D 14 15 0 0 0 0 999 V2000 -0.8606 0.4593 0.0000 C 0 0 -0.6056 -0.3253 0.0000 S 0 0 0.2194 -0.3253 0.0000 C 0 0 0.4743 0.4593 0.0000 N 0 0 -0.1931 0.9442 0.0000 C 0 0 -1.6452 0.7142 0.0000 C 0 0 -2.2583 0.1622 0.0000 C 0 0 -0.1931 1.7692 0.0000 O 0 0 0.7043 -0.9928 0.0000 S 0 0 -2.0868 -0.6448 0.0000 C 0 0 -2.6999 -1.1968 0.0000 C 0 0 -3.4845 -0.9419 0.0000 C 0 0 -3.6560 -0.1349 0.0000 C 0 0 -3.0429 0.4171 0.0000 C 0 0 6 7 1 0 2 3 1 0 5 8 2 0 3 4 1 0 3 9 2 0 4 5 1 0 7 10 2 0 5 1 1 0 10 11 1 0 1 2 1 0 11 12 2 0 1 6 2 0 12 13 1 0 13 14 2 0 14 7 1 0 M END > CHEMBL305763 > 0 $$$$ CHEMBL256184 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 3.3214 -21.4228 0.0000 C 0 0 4.7524 -22.2499 0.0000 C 0 0 4.7493 -21.4187 0.0000 C 0 0 4.0311 -21.0100 0.0000 C 0 0 5.4617 -21.0027 0.0000 C 0 0 6.1782 -21.4117 0.0000 C 0 0 6.2661 -22.2276 0.0000 S 0 0 7.0740 -22.3951 0.0000 C 0 0 7.4830 -21.6784 0.0000 N 0 0 6.9278 -21.0683 0.0000 C 0 0 7.4132 -23.1471 0.0000 O 0 0 7.0929 -20.2600 0.0000 O 0 0 4.0331 -22.6633 0.0000 C 0 0 3.3187 -22.2472 0.0000 C 0 0 4.0307 -23.4883 0.0000 O 0 0 3.3150 -23.8987 0.0000 C 0 0 2.6027 -22.6571 0.0000 O 0 0 1.8898 -22.2421 0.0000 C 0 0 2.5590 -23.5605 0.0000 C 0 0 2.0051 -24.1720 0.0000 C 0 0 2.4155 -24.8876 0.0000 C 0 0 3.2229 -24.7183 0.0000 C 0 0 8.3030 -21.5881 0.0000 C 0 0 8.7912 -22.2531 0.0000 C 0 0 8.4565 -23.0076 0.0000 C 0 0 8.9441 -23.6722 0.0000 C 0 0 9.7651 -23.5822 0.0000 C 0 0 10.0961 -22.8219 0.0000 C 0 0 9.6065 -22.1605 0.0000 C 0 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 16 19 1 0 4 1 1 0 7 8 1 0 8 9 1 0 9 10 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 16 1 0 10 6 1 0 9 23 1 0 13 2 2 0 23 24 1 0 8 11 2 0 24 25 2 0 3 5 1 0 25 26 1 0 10 12 2 0 26 27 2 0 13 14 1 0 27 28 1 0 1 14 2 0 28 29 2 0 29 24 1 0 M END > CHEMBL256184 > 0 $$$$ CHEMBL255423 SciTegic12291823182D 22 23 0 0 0 0 999 V2000 12.6713 -4.0379 0.0000 C 0 0 14.1023 -4.8649 0.0000 C 0 0 14.0992 -4.0339 0.0000 C 0 0 13.3810 -3.6250 0.0000 C 0 0 14.8115 -3.6178 0.0000 C 0 0 15.5281 -4.0268 0.0000 C 0 0 15.6160 -4.8426 0.0000 S 0 0 16.4238 -5.0101 0.0000 C 0 0 16.8328 -4.2936 0.0000 N 0 0 16.2776 -3.6833 0.0000 C 0 0 16.7630 -5.7621 0.0000 S 0 0 16.4427 -2.8751 0.0000 O 0 0 13.3830 -5.2783 0.0000 C 0 0 12.6686 -4.8623 0.0000 C 0 0 13.3806 -6.1033 0.0000 O 0 0 12.6649 -6.5137 0.0000 C 0 0 11.9527 -5.2723 0.0000 O 0 0 11.2398 -4.8572 0.0000 C 0 0 17.6528 -4.2032 0.0000 C 0 0 18.1410 -4.8682 0.0000 C 0 0 17.8121 -5.6237 0.0000 O 0 0 18.9639 -4.7780 0.0000 O 0 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 4 1 1 0 9 19 1 0 7 8 1 0 19 20 1 0 8 9 1 0 9 10 1 0 20 21 1 0 20 22 2 0 M END > CHEMBL255423 > 0 $$$$ CHEMBL269795 SciTegic12291823182D 21 22 0 0 0 0 999 V2000 3.7154 -4.9087 0.0000 C 0 0 5.1465 -5.7358 0.0000 C 0 0 5.1433 -4.9046 0.0000 C 0 0 4.4251 -4.4959 0.0000 C 0 0 5.8558 -4.4886 0.0000 C 0 0 6.5722 -4.8976 0.0000 C 0 0 6.6601 -5.7135 0.0000 S 0 0 7.4679 -5.8810 0.0000 C 0 0 7.8769 -5.1643 0.0000 N 0 0 7.3218 -4.5542 0.0000 C 0 0 7.8072 -6.6329 0.0000 S 0 0 7.4869 -3.7459 0.0000 O 0 0 4.4271 -6.1492 0.0000 C 0 0 3.7128 -5.7330 0.0000 C 0 0 4.4247 -6.9742 0.0000 O 0 0 3.7091 -7.3846 0.0000 C 0 0 2.9969 -6.1430 0.0000 O 0 0 2.2839 -5.7280 0.0000 C 0 0 8.6970 -5.0740 0.0000 C 0 0 9.0287 -4.3187 0.0000 C 0 0 9.8488 -4.2284 0.0000 C 0 0 9 10 1 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 4 1 1 0 9 19 1 0 7 8 1 0 19 20 1 0 8 9 1 0 20 21 2 0 M END > CHEMBL269795 > 0 $$$$ CHEMBL407291 SciTegic12291823182D 20 21 0 0 0 0 999 V2000 -4.2776 -4.5236 0.0000 C 0 0 -2.8467 -5.3507 0.0000 C 0 0 -2.8499 -4.5195 0.0000 C 0 0 -3.5679 -4.1108 0.0000 C 0 0 -2.1374 -4.1035 0.0000 C 0 0 -1.4209 -4.5125 0.0000 C 0 0 -1.3332 -5.3283 0.0000 S 0 0 -0.5253 -5.4959 0.0000 C 0 0 -0.1164 -4.7792 0.0000 N 0 0 -0.6714 -4.1691 0.0000 C 0 0 -0.1860 -6.2478 0.0000 S 0 0 -0.5063 -3.3608 0.0000 O 0 0 -3.5660 -5.7640 0.0000 C 0 0 -4.2804 -5.3479 0.0000 C 0 0 -3.5684 -6.5890 0.0000 O 0 0 -4.2840 -6.9994 0.0000 C 0 0 -4.9962 -5.7579 0.0000 O 0 0 -5.7092 -5.3428 0.0000 C 0 0 0.7036 -4.6889 0.0000 C 0 0 1.1919 -5.3538 0.0000 C 0 0 8 9 1 0 9 10 1 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 4 1 1 0 9 19 1 0 7 8 1 0 19 20 1 0 M END > CHEMBL407291 > 0 $$$$ CHEMBL402962 SciTegic12291823182D 19 20 0 0 0 0 999 V2000 11.5066 2.4520 0.0000 C 0 0 12.9375 1.6249 0.0000 C 0 0 12.9344 2.4560 0.0000 C 0 0 12.2163 2.8648 0.0000 C 0 0 13.6468 2.8721 0.0000 C 0 0 14.3633 2.4631 0.0000 C 0 0 14.4511 1.6473 0.0000 S 0 0 15.2589 1.4798 0.0000 C 0 0 15.6678 2.1963 0.0000 N 0 0 15.1128 2.8065 0.0000 C 0 0 15.5982 0.7278 0.0000 S 0 0 15.2779 3.6147 0.0000 O 0 0 12.2183 1.2116 0.0000 C 0 0 11.5039 1.6276 0.0000 C 0 0 12.2159 0.3866 0.0000 O 0 0 11.5002 -0.0238 0.0000 C 0 0 10.7880 1.2176 0.0000 O 0 0 10.0750 1.6326 0.0000 C 0 0 16.4878 2.2867 0.0000 C 0 0 7 8 1 0 8 9 1 0 9 10 1 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 4 1 1 0 9 19 1 0 M END > CHEMBL402962 > 0 $$$$ CHEMBL223330 SciTegic12291823182D 17 19 0 0 0 0 999 V2000 -0.4435 -2.2087 0.0000 C 0 0 0.2720 -1.7959 0.0000 C 0 0 0.2684 -0.9650 0.0000 C 0 0 -0.4454 -0.5577 0.0000 C 0 0 0.9820 -0.5530 0.0000 C 0 0 0.9820 0.2725 0.0000 C 0 0 1.6478 0.7557 0.0000 C 0 0 0.5691 1.5394 0.0000 C 0 0 0.3146 0.7557 0.0000 S 0 0 2.4314 0.5006 0.0000 O 0 0 0.0848 2.2061 0.0000 S 0 0 -1.1575 -1.7964 0.0000 C 0 0 -1.1609 -0.9684 0.0000 C 0 0 -1.9493 -0.7158 0.0000 O 0 0 -2.4333 -1.3875 0.0000 C 0 0 -1.9438 -2.0553 0.0000 O 0 0 1.3941 1.5408 0.0000 N 0 0 12 1 1 0 1 2 2 0 2 3 1 0 3 4 2 0 4 13 1 0 3 5 1 0 5 6 2 0 6 7 1 0 8 9 1 0 9 6 1 0 7 10 2 0 8 11 2 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 12 1 0 7 17 1 0 8 17 1 0 M END > CHEMBL223330 > 0 $$$$ CHEMBL402998 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 5.5078 -25.1910 0.0000 C 0 0 5.5065 -26.0185 0.0000 C 0 0 6.2195 -26.4315 0.0000 C 0 0 6.9389 -26.0181 0.0000 C 0 0 6.9358 -25.1869 0.0000 C 0 0 6.2176 -24.7781 0.0000 C 0 0 7.6482 -24.7709 0.0000 C 0 0 8.3647 -25.1799 0.0000 C 0 0 8.4526 -25.9958 0.0000 S 0 0 9.2605 -26.1633 0.0000 C 0 0 9.6695 -25.4466 0.0000 N 0 0 9.1143 -24.8364 0.0000 C 0 0 9.5997 -26.9153 0.0000 S 0 0 9.2794 -24.0281 0.0000 O 0 0 6.2181 -27.2565 0.0000 O 0 0 5.5030 -27.6678 0.0000 C 0 0 4.7915 -26.4301 0.0000 O 0 0 4.0775 -26.0166 0.0000 C 0 0 5.5016 -28.4929 0.0000 C 0 0 4.7849 -28.9004 0.0000 C 0 0 4.7832 -29.7247 0.0000 C 0 0 5.4976 -30.1392 0.0000 C 0 0 6.2151 -29.7235 0.0000 C 0 0 6.2133 -28.9006 0.0000 C 0 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 16 19 1 0 4 5 1 0 19 20 2 0 2 3 1 0 20 21 1 0 5 6 2 0 21 22 2 0 9 10 1 0 22 23 1 0 10 11 1 0 23 24 2 0 24 19 1 0 M END > CHEMBL402998 > 0 $$$$ CHEMBL403171 SciTegic12291823182D 20 21 0 0 0 0 999 V2000 -3.4253 -19.5111 0.0000 C 0 0 -3.4266 -20.3387 0.0000 C 0 0 -2.7136 -20.7516 0.0000 C 0 0 -1.9943 -20.3382 0.0000 C 0 0 -1.9975 -19.5071 0.0000 C 0 0 -2.7156 -19.0983 0.0000 C 0 0 -1.2850 -19.0911 0.0000 C 0 0 -0.5685 -19.5000 0.0000 C 0 0 -0.4807 -20.3159 0.0000 S 0 0 0.3271 -20.4834 0.0000 C 0 0 0.7361 -19.7668 0.0000 N 0 0 0.1811 -19.1566 0.0000 C 0 0 0.6665 -21.2354 0.0000 S 0 0 0.3462 -18.3483 0.0000 O 0 0 -2.7150 -21.5766 0.0000 O 0 0 -3.4301 -21.9879 0.0000 C 0 0 -4.1416 -20.7502 0.0000 O 0 0 -4.8555 -20.3367 0.0000 C 0 0 -3.4315 -22.8129 0.0000 C 0 0 -4.1466 -23.2243 0.0000 C 0 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 16 19 1 0 4 5 1 0 19 20 2 0 M END > CHEMBL403171 > 0 $$$$ CHEMBL256425 SciTegic12291823182D 20 21 0 0 0 0 999 V2000 7.4890 0.8163 0.0000 S 0 0 8.2950 0.9856 0.0000 C 0 0 8.7075 0.2723 0.0000 N 0 0 8.1544 -0.3446 0.0000 C 0 0 7.4041 -0.0072 0.0000 C 0 0 8.3268 -1.1469 0.0000 O 0 0 6.6883 -0.4197 0.0000 C 0 0 5.9724 -0.0072 0.0000 C 0 0 5.2565 -0.4197 0.0000 C 0 0 4.5448 -0.0072 0.0000 C 0 0 4.5448 0.8178 0.0000 C 0 0 5.2565 1.2303 0.0000 C 0 0 5.9724 0.8178 0.0000 C 0 0 5.2565 2.0553 0.0000 O 0 0 4.5448 2.4678 0.0000 C 0 0 3.8290 1.2303 0.0000 O 0 0 3.1131 0.8178 0.0000 C 0 0 3.8290 -0.4197 0.0000 O 0 0 3.1131 -0.0072 0.0000 C 0 0 8.6326 1.7395 0.0000 S 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 1 5 1 0 4 6 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 14 15 1 0 12 14 1 0 16 17 1 0 11 16 1 0 18 19 1 0 10 18 1 0 5 7 2 0 2 20 2 0 M END > CHEMBL256425 > 0 $$$$ CHEMBL255821 SciTegic12291823182D 18 19 0 0 0 0 999 V2000 4.4808 -8.8821 0.0000 C 0 0 4.4794 -9.7096 0.0000 C 0 0 5.1924 -10.1225 0.0000 C 0 0 5.9117 -9.7092 0.0000 C 0 0 5.9085 -8.8780 0.0000 C 0 0 5.1904 -8.4693 0.0000 C 0 0 6.6209 -8.4620 0.0000 C 0 0 7.3374 -8.8710 0.0000 C 0 0 7.4252 -9.6868 0.0000 S 0 0 8.2330 -9.8543 0.0000 C 0 0 8.6420 -9.1377 0.0000 N 0 0 8.0869 -8.5276 0.0000 C 0 0 8.5724 -10.6063 0.0000 S 0 0 8.2520 -7.7193 0.0000 O 0 0 5.1910 -10.9475 0.0000 O 0 0 4.4759 -11.3587 0.0000 C 0 0 6.6265 -10.1210 0.0000 O 0 0 6.6272 -10.9459 0.0000 C 0 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 4 17 1 0 8 9 1 0 17 18 1 0 M END > CHEMBL255821 > 0 $$$$ CHEMBL255822 SciTegic12291823182D 17 18 0 0 0 0 999 V2000 2.9344 -2.6219 0.0000 C 0 0 2.9331 -3.4495 0.0000 C 0 0 3.6461 -3.8623 0.0000 C 0 0 4.3653 -3.4490 0.0000 C 0 0 4.3623 -2.6179 0.0000 C 0 0 3.6441 -2.2091 0.0000 C 0 0 5.0746 -2.2018 0.0000 C 0 0 5.7911 -2.6108 0.0000 C 0 0 5.8790 -3.4266 0.0000 S 0 0 6.6868 -3.5941 0.0000 C 0 0 7.0958 -2.8776 0.0000 N 0 0 6.5406 -2.2674 0.0000 C 0 0 7.0261 -4.3461 0.0000 S 0 0 6.7057 -1.4591 0.0000 O 0 0 3.6446 -4.6873 0.0000 O 0 0 2.2181 -3.8609 0.0000 O 0 0 2.9293 -5.0985 0.0000 C 0 0 8 9 1 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 2 16 1 0 7 8 2 0 15 17 1 0 M END > CHEMBL255822 > 0 $$$$ CHEMBL1162970 SciTegic12291823182D 17 18 0 0 0 0 999 V2000 -2.3061 1.7477 0.0000 C 0 0 -1.5917 2.1602 0.0000 C 0 0 -0.8772 1.7477 0.0000 C 0 0 -0.8772 0.9227 0.0000 C 0 0 -1.5917 0.5102 0.0000 C 0 0 -2.3061 0.9227 0.0000 C 0 0 -3.0206 0.5102 0.0000 C 0 0 -3.0206 -0.3148 0.0000 C 0 0 -2.3532 -0.7997 0.0000 S 0 0 -2.6081 -1.5843 0.0000 C 0 0 -3.4331 -1.5843 0.0000 N 0 0 -3.6880 -0.7997 0.0000 C 0 0 -4.4727 -0.5448 0.0000 O 0 0 -2.1232 -2.2518 0.0000 S 0 0 -0.1627 0.5102 0.0000 O 0 0 -0.1627 2.1602 0.0000 O 0 0 -0.1627 2.9852 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 12 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 10 14 2 0 4 15 1 0 3 16 1 0 16 17 1 0 M END > CHEMBL1162970 > 0 $$$$ CHEMBL255556 SciTegic12291823182D 16 17 0 0 0 0 999 V2000 11.4361 1.8709 0.0000 C 0 0 11.4349 1.0435 0.0000 C 0 0 12.1497 0.6306 0.0000 C 0 0 12.8662 1.0440 0.0000 C 0 0 12.8633 1.8745 0.0000 C 0 0 12.1479 2.2836 0.0000 C 0 0 13.5762 2.2897 0.0000 C 0 0 14.2922 1.8799 0.0000 C 0 0 14.3807 1.0603 0.0000 S 0 0 15.1883 0.8918 0.0000 C 0 0 15.5982 1.6079 0.0000 N 0 0 15.0437 2.2188 0.0000 C 0 0 15.5267 0.1394 0.0000 S 0 0 15.2117 3.0265 0.0000 O 0 0 10.7201 0.6316 0.0000 O 0 0 10.7215 2.2832 0.0000 O 0 0 7 8 2 0 8 9 1 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 2 15 1 0 3 4 2 0 1 16 1 0 M END > CHEMBL255556 > 0 $$$$ CHEMBL224521 SciTegic12291823182D 16 17 0 0 0 0 999 V2000 7.3709 0.3924 0.0000 C 0 0 7.6258 -0.3922 0.0000 S 0 0 8.4508 -0.3922 0.0000 C 0 0 8.7058 0.3924 0.0000 N 0 0 8.0383 0.8774 0.0000 C 0 0 6.5863 0.6474 0.0000 C 0 0 5.9732 0.0953 0.0000 C 0 0 8.0383 1.7024 0.0000 O 0 0 8.9357 -1.0596 0.0000 S 0 0 6.1447 -0.7116 0.0000 C 0 0 5.5316 -1.2637 0.0000 C 0 0 4.7470 -1.0087 0.0000 C 0 0 4.5755 -0.2017 0.0000 C 0 0 5.1885 0.3503 0.0000 C 0 0 4.1339 -1.5607 0.0000 O 0 0 4.3054 -2.3677 0.0000 C 0 0 5 8 2 0 3 4 1 0 3 9 2 0 4 5 1 0 7 10 2 0 5 1 1 0 10 11 1 0 1 2 1 0 11 12 2 0 1 6 2 0 12 13 1 0 13 14 2 0 14 7 1 0 6 7 1 0 12 15 1 0 2 3 1 0 15 16 1 0 M END > CHEMBL224521 > 0 $$$$ CHEMBL402427 SciTegic12291823182D 16 17 0 0 0 0 999 V2000 5.8785 -4.6701 0.0000 C 0 0 5.8772 -5.4977 0.0000 C 0 0 6.5902 -5.9105 0.0000 C 0 0 7.3095 -5.4972 0.0000 C 0 0 7.3064 -4.6662 0.0000 C 0 0 6.5882 -4.2573 0.0000 C 0 0 8.0187 -4.2501 0.0000 C 0 0 8.7352 -4.6590 0.0000 C 0 0 8.8235 -5.4794 0.0000 S 0 0 9.6313 -5.6469 0.0000 C 0 0 10.0403 -4.9304 0.0000 N 0 0 9.4851 -4.3203 0.0000 C 0 0 9.6524 -3.5123 0.0000 O 0 0 9.9707 -6.3989 0.0000 S 0 0 5.1638 -4.2582 0.0000 O 0 0 5.1630 -3.4333 0.0000 C 0 0 7 8 2 0 8 9 1 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 12 13 2 0 1 2 2 0 10 14 2 0 5 7 1 0 1 15 1 0 3 4 2 0 15 16 1 0 M END > CHEMBL402427 > 0 $$$$ CHEMBL255131 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 4.8935 -26.5379 0.0000 C 0 0 6.3245 -27.3650 0.0000 C 0 0 6.3214 -26.5338 0.0000 C 0 0 5.6033 -26.1250 0.0000 C 0 0 7.0338 -26.1178 0.0000 C 0 0 7.7504 -26.5268 0.0000 C 0 0 7.8382 -27.3426 0.0000 C 0 0 8.6460 -27.5102 0.0000 C 0 0 9.0550 -26.7935 0.0000 N 0 0 8.4999 -26.1833 0.0000 C 0 0 8.6650 -25.3751 0.0000 O 0 0 5.6052 -27.7784 0.0000 C 0 0 4.8908 -27.3622 0.0000 C 0 0 5.6028 -28.6034 0.0000 O 0 0 4.8871 -29.0138 0.0000 C 0 0 4.1749 -27.7722 0.0000 O 0 0 3.4619 -27.3572 0.0000 C 0 0 4.1310 -28.6755 0.0000 C 0 0 3.5773 -29.2870 0.0000 C 0 0 3.9877 -30.0027 0.0000 C 0 0 4.7951 -29.8334 0.0000 C 0 0 9 10 1 0 10 6 1 0 12 2 2 0 10 11 2 0 12 13 1 0 3 5 1 0 1 13 2 0 5 6 2 0 12 14 1 0 6 7 1 0 14 15 1 0 2 3 1 0 13 16 1 0 16 17 1 0 15 18 1 0 3 4 2 0 4 1 1 0 7 8 1 0 8 9 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 15 1 0 M END > CHEMBL255131 > 0 $$$$ CHEMBL270597 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 11.7236 -18.1125 0.0000 C 0 0 11.7224 -18.9398 0.0000 C 0 0 12.4372 -19.3527 0.0000 C 0 0 13.1537 -18.9394 0.0000 C 0 0 13.1508 -18.1088 0.0000 C 0 0 12.4354 -17.6997 0.0000 C 0 0 11.0076 -19.3518 0.0000 O 0 0 10.2935 -18.9387 0.0000 C 0 0 12.4370 -20.1777 0.0000 O 0 0 11.7225 -20.5900 0.0000 C 0 0 10.9694 -20.2576 0.0000 C 0 0 10.4172 -20.8705 0.0000 C 0 0 10.8296 -21.5852 0.0000 C 0 0 11.6365 -21.4137 0.0000 C 0 0 13.8637 -17.6936 0.0000 C 0 0 14.5797 -18.1034 0.0000 C 0 0 14.6728 -18.9225 0.0000 S 0 0 15.4804 -19.0910 0.0000 C 0 0 15.8902 -18.3749 0.0000 N 0 0 15.3358 -17.7640 0.0000 C 0 0 15.8188 -19.8434 0.0000 N 0 0 15.5045 -16.9565 0.0000 O 0 0 2 3 1 0 5 6 2 0 6 1 1 0 1 2 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 10 1 0 2 7 1 0 5 15 1 0 3 4 2 0 15 16 2 0 16 17 1 0 7 8 1 0 3 9 1 0 4 5 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 16 1 0 9 10 1 0 18 21 2 0 10 11 1 0 20 22 2 0 M END > CHEMBL270597 > 0 $$$$ CHEMBL404692 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 -4.2501 -20.9542 0.0000 C 0 0 -2.8192 -21.7812 0.0000 C 0 0 -2.8224 -20.9501 0.0000 C 0 0 -3.5404 -20.5414 0.0000 C 0 0 -2.1099 -20.5341 0.0000 C 0 0 -1.3934 -20.9431 0.0000 C 0 0 -1.3056 -21.7589 0.0000 S 0 0 -0.4978 -21.9264 0.0000 C 0 0 -0.0889 -21.2098 0.0000 N 0 0 -0.6439 -20.5997 0.0000 C 0 0 -0.1585 -22.6784 0.0000 O 0 0 -0.4788 -19.7914 0.0000 O 0 0 -3.5384 -22.1946 0.0000 C 0 0 -4.2529 -21.7785 0.0000 C 0 0 -3.5409 -23.0196 0.0000 O 0 0 -4.2565 -23.4300 0.0000 C 0 0 -4.9687 -22.1884 0.0000 O 0 0 -5.6817 -21.7734 0.0000 C 0 0 -5.0126 -23.0917 0.0000 C 0 0 -5.5664 -23.7032 0.0000 C 0 0 -5.1559 -24.4188 0.0000 C 0 0 -4.3486 -24.2495 0.0000 C 0 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 16 19 1 0 4 1 1 0 7 8 1 0 8 9 1 0 9 10 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 16 1 0 M END > CHEMBL404692 > 0 $$$$ CHEMBL255421 SciTegic12291823182D 18 19 0 0 0 0 999 V2000 17.1802 -26.0224 0.0000 C 0 0 17.1790 -26.8496 0.0000 C 0 0 17.8938 -27.2625 0.0000 C 0 0 18.6102 -26.8492 0.0000 C 0 0 18.6073 -26.0187 0.0000 C 0 0 17.8920 -25.6097 0.0000 C 0 0 19.3202 -25.6036 0.0000 C 0 0 20.0356 -26.0134 0.0000 C 0 0 20.0276 -26.8376 0.0000 S 0 0 20.8084 -27.1038 0.0000 C 0 0 21.3029 -26.4434 0.0000 N 0 0 20.8275 -25.7692 0.0000 C 0 0 21.0520 -27.8919 0.0000 O 0 0 21.0939 -24.9885 0.0000 O 0 0 16.4657 -25.6101 0.0000 O 0 0 16.4655 -24.7851 0.0000 C 0 0 16.4643 -27.2616 0.0000 O 0 0 15.7502 -26.8485 0.0000 C 0 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 1 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 M END > CHEMBL255421 > 0 $$$$ CHEMBL403367 SciTegic12291823182D 19 20 0 0 0 0 999 V2000 3.7475 -16.6280 0.0000 C 0 0 5.1785 -17.4551 0.0000 C 0 0 5.1754 -16.6240 0.0000 C 0 0 4.4572 -16.2153 0.0000 C 0 0 5.8878 -16.2080 0.0000 C 0 0 6.6043 -16.6170 0.0000 C 0 0 6.6922 -17.4327 0.0000 S 0 0 7.5000 -17.6003 0.0000 C 0 0 7.9090 -16.8837 0.0000 N 0 0 7.3538 -16.2735 0.0000 C 0 0 7.8392 -18.3523 0.0000 S 0 0 7.5189 -15.4652 0.0000 O 0 0 4.4592 -17.8686 0.0000 C 0 0 3.7449 -17.4524 0.0000 C 0 0 4.4568 -18.6935 0.0000 O 0 0 3.7412 -19.1039 0.0000 C 0 0 3.0289 -17.8624 0.0000 O 0 0 8.7290 -16.7934 0.0000 C 0 0 9.2172 -17.4584 0.0000 C 0 0 7 8 1 0 8 9 1 0 9 10 1 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 9 18 1 0 4 1 1 0 18 19 1 0 M END > CHEMBL403367 > 0 $$$$ CHEMBL255611 SciTegic12291823182D 19 20 0 0 0 0 999 V2000 -4.5939 -16.7606 0.0000 C 0 0 -3.1629 -17.5876 0.0000 C 0 0 -3.1661 -16.7565 0.0000 C 0 0 -3.8842 -16.3478 0.0000 C 0 0 -2.4537 -16.3405 0.0000 C 0 0 -1.7372 -16.7495 0.0000 C 0 0 -1.6494 -17.5653 0.0000 S 0 0 -0.8416 -17.7328 0.0000 C 0 0 -0.4326 -17.0162 0.0000 N 0 0 -0.9877 -16.4061 0.0000 C 0 0 -0.5022 -18.4848 0.0000 S 0 0 -0.8225 -15.5978 0.0000 O 0 0 -3.8822 -18.0010 0.0000 C 0 0 -4.5966 -17.5849 0.0000 C 0 0 -3.8846 -18.8260 0.0000 O 0 0 -5.3125 -17.9948 0.0000 O 0 0 -6.0255 -17.5798 0.0000 C 0 0 0.3874 -16.9259 0.0000 C 0 0 0.8757 -17.5908 0.0000 C 0 0 7 8 1 0 8 9 1 0 9 10 1 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 14 16 1 0 16 17 1 0 3 4 2 0 9 18 1 0 4 1 1 0 18 19 1 0 M END > CHEMBL255611 > 0 $$$$ CHEMBL255610 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 12.3916 -10.0099 0.0000 C 0 0 13.8227 -10.8370 0.0000 C 0 0 13.8195 -10.0058 0.0000 C 0 0 13.1013 -9.5971 0.0000 C 0 0 14.5320 -9.5898 0.0000 C 0 0 15.2484 -9.9988 0.0000 C 0 0 15.3363 -10.8147 0.0000 S 0 0 16.1441 -10.9822 0.0000 C 0 0 16.5531 -10.2655 0.0000 N 0 0 15.9979 -9.6554 0.0000 C 0 0 16.4833 -11.7341 0.0000 S 0 0 16.1630 -8.8471 0.0000 O 0 0 13.1033 -11.2504 0.0000 C 0 0 12.3890 -10.8342 0.0000 C 0 0 13.1009 -12.0754 0.0000 O 0 0 12.3852 -12.4858 0.0000 C 0 0 11.6731 -11.2442 0.0000 O 0 0 10.9601 -10.8292 0.0000 C 0 0 17.3731 -10.1752 0.0000 C 0 0 17.8614 -10.8402 0.0000 C 0 0 17.5324 -11.5958 0.0000 O 0 0 18.6842 -10.7501 0.0000 O 0 0 11.6334 -12.1494 0.0000 C 0 0 11.0795 -12.7609 0.0000 C 0 0 11.4901 -13.4765 0.0000 C 0 0 12.2974 -13.3072 0.0000 C 0 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 4 1 1 0 9 19 1 0 7 8 1 0 19 20 1 0 8 9 1 0 9 10 1 0 20 21 1 0 20 22 2 0 16 23 1 0 10 6 1 0 13 2 2 0 8 11 2 0 3 5 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 16 1 0 M END > CHEMBL255610 > 0 $$$$ CHEMBL429680 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 3.4313 -9.7393 0.0000 C 0 0 4.8622 -10.5664 0.0000 C 0 0 4.8592 -9.7354 0.0000 C 0 0 4.1410 -9.3266 0.0000 C 0 0 5.5715 -9.3194 0.0000 C 0 0 6.2880 -9.7283 0.0000 C 0 0 6.3759 -10.5441 0.0000 S 0 0 7.1838 -10.7116 0.0000 C 0 0 7.5927 -9.9951 0.0000 N 0 0 7.0376 -9.3848 0.0000 C 0 0 7.5230 -11.4637 0.0000 S 0 0 7.2027 -8.5766 0.0000 O 0 0 4.1430 -10.9799 0.0000 C 0 0 3.4286 -10.5638 0.0000 C 0 0 4.1405 -11.8049 0.0000 O 0 0 3.4249 -12.2153 0.0000 C 0 0 2.7127 -10.9737 0.0000 O 0 0 1.9998 -10.5587 0.0000 C 0 0 8.4128 -9.9048 0.0000 C 0 0 8.7445 -9.1494 0.0000 C 0 0 9.5644 -9.0590 0.0000 C 0 0 2.6731 -11.8788 0.0000 C 0 0 2.1192 -12.4903 0.0000 C 0 0 2.5296 -13.2060 0.0000 C 0 0 3.3370 -13.0368 0.0000 C 0 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 4 1 1 0 9 19 1 0 7 8 1 0 19 20 1 0 8 9 1 0 20 21 2 0 16 22 1 0 9 10 1 0 10 6 1 0 13 2 2 0 8 11 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 16 1 0 M END > CHEMBL429680 > 0 $$$$ CHEMBL257521 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 -4.2410 -8.9738 0.0000 C 0 0 -2.8101 -9.8009 0.0000 C 0 0 -2.8132 -8.9699 0.0000 C 0 0 -3.5313 -8.5610 0.0000 C 0 0 -2.1008 -8.5538 0.0000 C 0 0 -1.3843 -8.9627 0.0000 C 0 0 -1.2964 -9.7786 0.0000 S 0 0 -0.4886 -9.9461 0.0000 C 0 0 -0.0796 -9.2296 0.0000 N 0 0 -0.6348 -8.6193 0.0000 C 0 0 -0.1494 -10.6980 0.0000 S 0 0 -0.4697 -7.8111 0.0000 O 0 0 -3.5293 -10.2143 0.0000 C 0 0 -4.2437 -9.7983 0.0000 C 0 0 -3.5318 -11.0392 0.0000 O 0 0 -4.2474 -11.4496 0.0000 C 0 0 -4.9596 -10.2082 0.0000 O 0 0 -5.6725 -9.7932 0.0000 C 0 0 0.7404 -9.1392 0.0000 C 0 0 -5.0034 -11.1114 0.0000 C 0 0 -5.5572 -11.7229 0.0000 C 0 0 -5.1468 -12.4386 0.0000 C 0 0 -4.3395 -12.2692 0.0000 C 0 0 13 2 2 0 8 11 2 0 3 5 1 0 10 12 2 0 13 14 1 0 1 14 2 0 5 6 2 0 6 7 1 0 13 15 1 0 2 3 1 0 15 16 1 0 14 17 1 0 3 4 2 0 17 18 1 0 4 1 1 0 9 19 1 0 16 20 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 6 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 16 1 0 M END > CHEMBL257521 > 0 $$$$ CHEMBL402997 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 -2.9439 -25.6607 0.0000 C 0 0 -2.9452 -26.4883 0.0000 C 0 0 -2.2322 -26.9012 0.0000 C 0 0 -1.5130 -26.4878 0.0000 C 0 0 -1.5162 -25.6567 0.0000 C 0 0 -2.2342 -25.2480 0.0000 C 0 0 -0.8037 -25.2407 0.0000 C 0 0 -0.0872 -25.6497 0.0000 C 0 0 0.0005 -26.4654 0.0000 S 0 0 0.8083 -26.6329 0.0000 C 0 0 1.2173 -25.9164 0.0000 N 0 0 0.6623 -25.3062 0.0000 C 0 0 1.1477 -27.3850 0.0000 S 0 0 0.8274 -24.4980 0.0000 O 0 0 -2.2337 -27.7262 0.0000 O 0 0 -2.9487 -28.1374 0.0000 C 0 0 -3.6602 -26.8998 0.0000 O 0 0 -4.3740 -26.4862 0.0000 C 0 0 -3.6617 -27.7241 0.0000 C 0 0 -4.3747 -28.1318 0.0000 C 0 0 -4.3803 -28.9571 0.0000 C 0 0 -3.6668 -29.3730 0.0000 C 0 0 -2.9475 -28.9635 0.0000 C 0 0 10 11 1 0 11 12 1 0 12 8 1 0 6 1 1 0 10 13 2 0 1 2 2 0 12 14 2 0 5 7 1 0 3 15 1 0 3 4 2 0 15 16 1 0 7 8 2 0 2 17 1 0 8 9 1 0 17 18 1 0 16 19 1 0 4 5 1 0 2 3 1 0 5 6 2 0 9 10 1 0 16 23 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 M END > CHEMBL402997 > 0 $$$$ CHEMBL429686 SciTegic12291823182D 29 32 0 0 1 0 999 V2000 6.7888 -11.4846 0.0000 O 0 0 5.5555 -7.4900 0.0000 C 0 0 5.5522 -8.3144 0.0000 C 0 0 6.2679 -8.7288 0.0000 C 0 0 6.2681 -7.0784 0.0000 C 0 0 6.9805 -7.4871 0.0000 C 0 0 6.9772 -8.3202 0.0000 C 0 0 7.6959 -8.7340 0.0000 C 0 0 8.4208 -8.3218 0.0000 N 0 0 8.4200 -7.4887 0.0000 C 0 0 7.6984 -7.0679 0.0000 N 0 0 7.6909 -9.5590 0.0000 N 0 0 7.0237 -10.0406 0.0000 C 0 0 7.2585 -10.8128 0.0000 C 0 0 1 0 0 0 8.1011 -10.8318 0.0000 C 0 0 8.3586 -10.0487 0.0000 C 0 0 4.8402 -7.0765 0.0000 O 0 0 4.8414 -6.2515 0.0000 C 0 0 4.8351 -8.7289 0.0000 O 0 0 4.1247 -8.3143 0.0000 C 0 0 5.9639 -11.4919 0.0000 C 0 0 5.5474 -10.7795 0.0000 C 0 0 4.7232 -10.7865 0.0000 C 0 0 4.3162 -11.5051 0.0000 C 0 0 4.7396 -12.2182 0.0000 C 0 0 5.5624 -12.2077 0.0000 C 0 0 5.9838 -12.9169 0.0000 C 0 0 5.5804 -13.6365 0.0000 C 0 0 6.8088 -12.9065 0.0000 C 0 0 8 9 2 0 9 10 1 0 10 11 2 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 12 1 0 14 1 1 1 2 17 1 0 17 18 1 0 3 19 1 0 19 20 1 0 1 21 1 0 2 3 2 0 21 22 2 0 3 4 1 0 22 23 1 0 4 7 2 0 23 24 2 0 6 5 2 0 24 25 1 0 5 2 1 0 25 26 2 0 26 21 1 0 6 7 1 0 26 27 1 0 6 11 1 0 27 28 1 0 7 8 1 0 27 29 1 0 M END > CHEMBL429686 > 1 $$$$ CHEMBL430071 SciTegic12291823182D 31 34 0 0 1 0 999 V2000 11.4069 -6.7708 0.0000 C 0 0 11.4057 -7.5982 0.0000 C 0 0 12.1206 -8.0110 0.0000 C 0 0 12.1188 -6.3580 0.0000 C 0 0 12.8341 -6.7672 0.0000 C 0 0 12.8329 -7.6002 0.0000 C 0 0 13.5498 -8.0155 0.0000 C 0 0 14.2725 -7.6023 0.0000 N 0 0 14.2737 -6.7692 0.0000 C 0 0 13.5522 -6.3494 0.0000 N 0 0 13.5475 -8.8405 0.0000 N 0 0 12.8795 -9.3214 0.0000 C 0 0 13.1322 -10.1067 0.0000 C 0 0 1 0 0 0 13.9573 -10.1091 0.0000 C 0 0 14.2143 -9.3251 0.0000 C 0 0 12.6456 -10.7724 0.0000 O 0 0 10.6923 -6.3585 0.0000 O 0 0 10.6921 -5.5335 0.0000 C 0 0 10.6909 -8.0101 0.0000 O 0 0 9.9768 -7.5970 0.0000 C 0 0 11.8206 -10.7648 0.0000 C 0 0 11.4172 -10.0450 0.0000 C 0 0 10.5930 -10.0371 0.0000 C 0 0 10.1731 -10.7483 0.0000 C 0 0 10.5834 -11.4689 0.0000 C 0 0 11.4063 -11.4733 0.0000 C 0 0 11.8149 -12.1900 0.0000 O 0 0 11.3985 -12.9022 0.0000 C 0 0 10.9792 -13.6125 0.0000 F 0 0 12.1098 -13.3201 0.0000 F 0 0 10.6871 -12.4845 0.0000 F 0 0 14 15 1 0 15 11 1 0 5 4 2 0 13 16 1 1 4 1 1 0 1 17 1 0 5 10 1 0 17 18 1 0 6 7 1 0 2 19 1 0 7 8 2 0 19 20 1 0 8 9 1 0 16 21 1 0 9 10 2 0 21 22 2 0 5 6 1 0 22 23 1 0 7 11 1 0 23 24 2 0 11 12 1 0 24 25 1 0 25 26 2 0 26 21 1 0 2 3 1 0 26 27 1 0 3 6 2 0 27 28 1 0 1 2 2 0 28 29 1 0 12 13 1 0 28 30 1 0 13 14 1 0 28 31 1 0 M END > CHEMBL430071 > 1 $$$$ CHEMBL503420 SciTegic12291823182D 13 14 0 0 0 0 999 V2000 -5.5799 0.8179 0.0000 C 0 0 -5.5812 -0.0071 0.0000 C 0 0 -4.8705 -0.4187 0.0000 C 0 0 -4.8725 1.2293 0.0000 C 0 0 -4.1567 0.8218 0.0000 C 0 0 -4.1530 -0.0091 0.0000 C 0 0 -3.4354 -0.4192 0.0000 C 0 0 -2.7170 -0.0027 0.0000 N 0 0 -2.7207 0.8282 0.0000 S 0 0 -3.4429 1.2428 0.0000 N 0 0 -3.4329 -1.2416 0.0000 O 0 0 -2.7275 1.6538 0.0000 O 0 0 -1.9326 0.6214 0.0000 O 0 0 3 6 2 0 1 2 2 0 5 4 2 0 4 1 1 0 5 10 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 1 0 9 12 2 0 2 3 1 0 9 13 2 0 M END > CHEMBL503420 > 0 $$$$ CHEMBL495522 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 1.4727 -0.1374 0.0000 C 0 0 1.4715 -0.9640 0.0000 C 0 0 2.1836 -1.3765 0.0000 C 0 0 2.1817 0.2750 0.0000 C 0 0 2.8991 -0.1333 0.0000 C 0 0 2.9028 -0.9661 0.0000 C 0 0 3.6218 -1.3770 0.0000 C 0 0 4.3418 -0.9597 0.0000 N 0 0 4.3382 -0.1269 0.0000 S 0 0 3.6145 0.2886 0.0000 N 0 0 3.6243 -2.2011 0.0000 O 0 0 4.3313 0.7005 0.0000 O 0 0 5.1280 -0.3343 0.0000 O 0 0 3.6096 1.1127 0.0000 C 0 0 4.3209 1.5289 0.0000 C 0 0 5.0369 1.1192 0.0000 C 0 0 5.7478 1.5347 0.0000 C 0 0 5.7434 2.3597 0.0000 C 0 0 5.0222 2.7673 0.0000 C 0 0 4.3143 2.3496 0.0000 C 0 0 6.4637 1.1264 0.0000 F 0 0 3.5970 2.7553 0.0000 F 0 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 9 13 2 0 3 6 2 0 10 14 1 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 4 1 1 0 16 17 1 0 5 10 1 0 17 18 2 0 6 7 1 0 18 19 1 0 7 8 1 0 19 20 2 0 20 15 1 0 8 9 1 0 17 21 1 0 9 10 1 0 20 22 1 0 M END > CHEMBL495522 > 0 $$$$ CHEMBL495523 SciTegic12291823182D 12 13 0 0 0 0 999 V2000 12.2340 -0.4121 0.0000 C 0 0 12.9481 0.0017 0.0000 N 0 0 12.9443 0.8278 0.0000 S 0 0 12.2267 1.2398 0.0000 N 0 0 12.2365 -1.2295 0.0000 O 0 0 12.9376 1.6484 0.0000 O 0 0 13.7277 0.6221 0.0000 O 0 0 11.5208 -0.0046 0.0000 C 0 0 11.5212 0.8205 0.0000 C 0 0 10.7367 1.0758 0.0000 C 0 0 10.2514 0.4086 0.0000 C 0 0 10.7361 -0.2591 0.0000 S 0 0 9 4 1 0 3 6 2 0 8 1 1 0 3 7 2 0 8 9 2 0 1 2 2 0 2 3 1 0 3 4 1 0 1 5 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 1 0 M END > CHEMBL495523 > 0 $$$$ CHEMBL497138 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 -3.3698 -8.5866 0.0000 C 0 0 -2.6488 -8.1688 0.0000 N 0 0 -2.6525 -7.3348 0.0000 S 0 0 -3.3772 -6.9187 0.0000 N 0 0 -3.3673 -9.4119 0.0000 O 0 0 -2.6594 -6.5062 0.0000 O 0 0 -1.8616 -7.5424 0.0000 O 0 0 -4.0899 -8.1752 0.0000 C 0 0 -4.0895 -7.3422 0.0000 C 0 0 -4.8815 -7.0843 0.0000 C 0 0 -5.3715 -7.7580 0.0000 C 0 0 -4.8822 -8.4321 0.0000 S 0 0 -3.3827 -6.0933 0.0000 C 0 0 -2.7581 -5.5539 0.0000 C 0 0 -1.5124 -4.4776 0.0000 C 0 0 -2.2968 -4.2075 0.0000 C 0 0 -2.9177 -4.7481 0.0000 C 0 0 -1.3565 -5.2869 0.0000 C 0 0 -1.9818 -5.8246 0.0000 C 0 0 -1.8283 -6.6329 0.0000 C 0 0 -1.0500 -6.9047 0.0000 C 0 0 -0.4249 -6.3621 0.0000 C 0 0 -0.5816 -5.5558 0.0000 C 0 0 10 11 2 0 11 12 1 0 12 8 1 0 9 4 1 0 4 13 1 0 3 6 2 0 13 14 1 0 14 19 2 0 8 1 1 0 18 15 2 0 3 7 2 0 15 16 1 0 8 9 2 0 16 17 2 0 17 14 1 0 1 2 1 0 2 3 1 0 18 19 1 0 3 4 1 0 19 20 1 0 20 21 2 0 1 5 2 0 21 22 1 0 9 10 1 0 22 23 2 0 23 18 1 0 M END > CHEMBL497138 > 0 $$$$ CHEMBL350772 SciTegic12291823182D 16 18 0 0 0 0 999 V2000 5.6609 -8.2620 0.0000 C 0 0 6.3776 -7.8466 0.0000 N 0 0 6.3739 -7.0176 0.0000 S 0 0 5.6536 -6.6040 0.0000 N 0 0 5.6634 -9.0823 0.0000 O 0 0 6.3671 -6.1939 0.0000 O 0 0 7.1601 -7.2240 0.0000 O 0 0 4.9451 -7.8530 0.0000 C 0 0 4.9455 -7.0249 0.0000 C 0 0 4.1575 -8.1084 0.0000 S 0 0 3.6711 -7.4383 0.0000 C 0 0 4.1600 -6.7727 0.0000 C 0 0 3.8279 -6.0186 0.0000 C 0 0 3.0072 -5.9288 0.0000 C 0 0 2.5196 -6.5993 0.0000 C 0 0 2.8543 -7.3508 0.0000 C 0 0 8 9 2 0 1 2 2 0 2 3 1 0 3 4 1 0 9 12 1 0 11 10 1 0 10 8 1 0 1 5 1 0 11 12 2 0 9 4 1 0 12 13 1 0 3 6 2 0 13 14 2 0 8 1 1 0 14 15 1 0 3 7 2 0 15 16 2 0 16 11 1 0 M END > CHEMBL350772 > 0 $$$$ CHEMBL497139 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 13.3392 -8.7729 0.0000 C 0 0 14.0571 -8.3567 0.0000 N 0 0 14.0534 -7.5265 0.0000 S 0 0 13.3319 -7.1122 0.0000 N 0 0 13.3418 -9.5946 0.0000 O 0 0 14.0466 -6.7015 0.0000 O 0 0 14.8409 -7.7331 0.0000 O 0 0 12.6223 -8.3631 0.0000 C 0 0 12.6227 -7.5337 0.0000 C 0 0 11.8334 -8.6190 0.0000 S 0 0 11.3462 -7.9479 0.0000 C 0 0 11.8360 -7.2812 0.0000 C 0 0 11.5033 -6.5259 0.0000 C 0 0 10.6813 -6.4359 0.0000 C 0 0 10.1929 -7.1075 0.0000 C 0 0 10.5281 -7.8602 0.0000 C 0 0 13.3257 -6.2905 0.0000 C 0 0 14.0341 -5.8743 0.0000 C 0 0 14.7449 -6.2820 0.0000 C 0 0 15.4530 -5.8664 0.0000 C 0 0 15.4472 -5.0438 0.0000 C 0 0 14.7275 -4.6386 0.0000 C 0 0 14.0224 -5.0566 0.0000 C 0 0 13.3055 -4.6549 0.0000 F 0 0 16.1674 -6.2722 0.0000 F 0 0 11 12 2 0 9 4 1 0 12 13 1 0 3 6 2 0 13 14 2 0 8 1 1 0 14 15 1 0 3 7 2 0 15 16 2 0 16 11 1 0 8 9 2 0 4 17 1 0 1 2 1 0 17 18 1 0 2 3 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 12 1 0 20 21 2 0 11 10 1 0 21 22 1 0 10 8 1 0 22 23 2 0 23 18 1 0 23 24 1 0 1 5 2 0 20 25 1 0 M END > CHEMBL497139 > 0 $$$$ CHEMBL523419 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -2.4511 -16.6378 0.0000 C 0 0 -1.7333 -16.2218 0.0000 N 0 0 -1.7370 -15.3914 0.0000 S 0 0 -2.4585 -14.9772 0.0000 N 0 0 -2.4486 -17.4594 0.0000 O 0 0 -1.7438 -14.5665 0.0000 O 0 0 -0.9495 -15.5982 0.0000 O 0 0 -3.1681 -16.2281 0.0000 C 0 0 -3.1676 -15.3988 0.0000 C 0 0 -3.9569 -16.4840 0.0000 S 0 0 -4.4441 -15.8128 0.0000 C 0 0 -3.9544 -15.1463 0.0000 C 0 0 -4.2870 -14.3909 0.0000 C 0 0 -5.1090 -14.3010 0.0000 C 0 0 -5.5974 -14.9725 0.0000 C 0 0 -5.2621 -15.7252 0.0000 C 0 0 -2.4647 -14.1556 0.0000 C 0 0 -1.7563 -13.7393 0.0000 C 0 0 -1.0455 -14.1471 0.0000 C 0 0 -0.3374 -13.7315 0.0000 C 0 0 -0.3432 -12.9090 0.0000 C 0 0 -1.0629 -12.5037 0.0000 C 0 0 -1.7680 -12.9216 0.0000 C 0 0 -1.0721 -11.6822 0.0000 Cl 0 0 0.3646 -12.4918 0.0000 Cl 0 0 11 12 2 0 9 4 1 0 12 13 1 0 3 6 2 0 13 14 2 0 8 1 1 0 14 15 1 0 3 7 2 0 15 16 2 0 16 11 1 0 8 9 2 0 4 17 1 0 1 2 1 0 17 18 1 0 2 3 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 12 1 0 20 21 2 0 11 10 1 0 21 22 1 0 10 8 1 0 22 23 2 0 23 18 1 0 22 24 1 0 1 5 2 0 21 25 1 0 M END > CHEMBL523419 > 0 $$$$ CHEMBL421646 SciTegic12291823182D 12 13 0 0 0 0 999 V2000 4.1034 -13.8569 0.0000 C 0 0 4.1021 -14.6833 0.0000 C 0 0 4.8140 -15.0956 0.0000 C 0 0 4.8120 -13.4448 0.0000 C 0 0 5.5290 -13.8530 0.0000 C 0 0 5.5281 -14.6808 0.0000 C 0 0 6.2406 -15.0931 0.0000 C 0 0 6.9586 -14.6823 0.0000 N 0 0 6.9594 -13.8545 0.0000 C 0 0 6.2423 -13.4376 0.0000 N 0 0 6.2386 -15.9168 0.0000 O 0 0 7.6737 -13.4441 0.0000 O 0 0 2 3 1 0 3 6 2 0 1 2 2 0 5 4 2 0 4 1 1 0 5 10 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 M END > CHEMBL421646 > 0 $$$$ CHEMBL497568 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 10.9181 -13.5294 0.0000 C 0 0 10.9168 -14.3561 0.0000 C 0 0 11.6291 -14.7686 0.0000 C 0 0 11.6271 -13.1170 0.0000 C 0 0 12.3444 -13.5253 0.0000 C 0 0 12.3435 -14.3535 0.0000 C 0 0 13.0564 -14.7660 0.0000 C 0 0 13.7747 -14.3551 0.0000 N 0 0 13.7755 -13.5269 0.0000 C 0 0 13.0581 -13.1098 0.0000 N 0 0 13.0544 -15.5902 0.0000 O 0 0 14.4901 -13.1163 0.0000 O 0 0 14.4849 -14.7658 0.0000 C 0 0 14.4816 -15.5910 0.0000 C 0 0 15.1935 -16.0049 0.0000 C 0 0 15.9091 -15.5944 0.0000 C 0 0 15.9086 -14.7660 0.0000 C 0 0 15.1961 -14.3561 0.0000 C 0 0 16.6224 -16.0073 0.0000 O 0 0 16.6215 -16.8314 0.0000 C 0 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 3 6 2 0 13 14 2 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 4 1 1 0 16 17 1 0 5 10 1 0 17 18 2 0 18 13 1 0 8 13 1 0 6 7 1 0 16 19 1 0 7 8 1 0 19 20 1 0 M END > CHEMBL497568 > 0 $$$$ CHEMBL451589 SciTegic12291823182D 18 20 0 0 0 0 999 V2000 -5.2622 -21.8622 0.0000 C 0 0 -5.2635 -22.6890 0.0000 C 0 0 -4.5513 -23.1013 0.0000 C 0 0 -4.5532 -21.4498 0.0000 C 0 0 -3.8359 -21.8582 0.0000 C 0 0 -3.8368 -22.6863 0.0000 C 0 0 -3.1240 -23.0989 0.0000 C 0 0 -2.4057 -22.6879 0.0000 N 0 0 -2.4048 -21.8598 0.0000 C 0 0 -3.1222 -21.4425 0.0000 N 0 0 -3.1260 -23.9231 0.0000 O 0 0 -1.6902 -21.4491 0.0000 S 0 0 -1.6954 -23.0987 0.0000 C 0 0 -1.6987 -23.9239 0.0000 C 0 0 -0.9869 -24.3376 0.0000 C 0 0 -0.2712 -23.9272 0.0000 C 0 0 -0.2717 -23.0989 0.0000 C 0 0 -0.9842 -22.6888 0.0000 C 0 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 3 6 2 0 13 14 2 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 4 1 1 0 16 17 1 0 5 10 1 0 17 18 2 0 18 13 1 0 8 13 1 0 M END > CHEMBL451589 > 0 $$$$ CHEMBL524987 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 2.6676 -21.6608 0.0000 C 0 0 2.6664 -22.4874 0.0000 C 0 0 3.3786 -22.8999 0.0000 C 0 0 3.3766 -21.2484 0.0000 C 0 0 4.0940 -21.6567 0.0000 C 0 0 4.0932 -22.4849 0.0000 C 0 0 4.8060 -22.8974 0.0000 C 0 0 5.5242 -22.4864 0.0000 N 0 0 5.5252 -21.6582 0.0000 C 0 0 4.8077 -21.2411 0.0000 N 0 0 4.8040 -23.7215 0.0000 O 0 0 6.2397 -21.2477 0.0000 S 0 0 6.2346 -22.8972 0.0000 C 0 0 6.2312 -23.7224 0.0000 C 0 0 6.9431 -24.1362 0.0000 C 0 0 7.6588 -23.7258 0.0000 C 0 0 7.6581 -22.8974 0.0000 C 0 0 6.9457 -22.4874 0.0000 C 0 0 8.3720 -24.1386 0.0000 O 0 0 8.3711 -24.9628 0.0000 C 0 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 3 6 2 0 13 14 2 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 4 1 1 0 16 17 1 0 5 10 1 0 17 18 2 0 18 13 1 0 8 13 1 0 6 7 1 0 16 19 1 0 7 8 1 0 19 20 1 0 M END > CHEMBL524987 > 0 $$$$ CHEMBL497771 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 11.5003 -21.4881 0.0000 C 0 0 11.4991 -22.3150 0.0000 C 0 0 12.2113 -22.7275 0.0000 C 0 0 12.2093 -21.0758 0.0000 C 0 0 12.9268 -21.4842 0.0000 C 0 0 12.9259 -22.3124 0.0000 C 0 0 13.6388 -22.7250 0.0000 C 0 0 14.3570 -22.3140 0.0000 N 0 0 14.3580 -21.4857 0.0000 C 0 0 13.6405 -21.0686 0.0000 N 0 0 13.6368 -23.5491 0.0000 O 0 0 15.0726 -21.0751 0.0000 S 0 0 15.0674 -22.7247 0.0000 C 0 0 15.0640 -23.5500 0.0000 C 0 0 15.7760 -23.9638 0.0000 C 0 0 16.4917 -23.5534 0.0000 C 0 0 16.4911 -22.7250 0.0000 C 0 0 15.7787 -22.3150 0.0000 C 0 0 14.3489 -23.9596 0.0000 F 0 0 15.7783 -21.4908 0.0000 F 0 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 3 6 2 0 13 14 2 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 4 1 1 0 16 17 1 0 5 10 1 0 17 18 2 0 18 13 1 0 8 13 1 0 6 7 1 0 14 19 1 0 7 8 1 0 18 20 1 0 M END > CHEMBL497771 > 0 $$$$ CHEMBL496734 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -5.8254 1.0027 0.0000 C 0 0 -5.8267 0.1760 0.0000 C 0 0 -5.1144 -0.2365 0.0000 C 0 0 -5.1164 1.4151 0.0000 C 0 0 -4.3991 1.0068 0.0000 C 0 0 -4.4000 0.1786 0.0000 C 0 0 -3.6871 -0.2339 0.0000 C 0 0 -2.9688 0.1770 0.0000 N 0 0 -2.9680 1.0052 0.0000 C 0 0 -3.6854 1.4223 0.0000 N 0 0 -3.6891 -1.0581 0.0000 O 0 0 -2.2534 1.4157 0.0000 S 0 0 -2.2585 -0.2337 0.0000 C 0 0 -2.2618 -1.0589 0.0000 C 0 0 -1.5500 -1.4728 0.0000 C 0 0 -0.8343 -1.0624 0.0000 C 0 0 -0.8349 -0.2339 0.0000 C 0 0 -1.5474 0.1760 0.0000 C 0 0 -1.5476 1.0002 0.0000 F 0 0 -0.1216 0.1789 0.0000 F 0 0 -0.1211 -1.4752 0.0000 F 0 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 3 6 2 0 13 14 2 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 4 1 1 0 16 17 1 0 5 10 1 0 17 18 2 0 18 13 1 0 8 13 1 0 6 7 1 0 18 19 1 0 7 8 1 0 17 20 1 0 8 9 1 0 16 21 1 0 M END > CHEMBL496734 > 0 $$$$ CHEMBL496735 SciTegic12291823182D 19 21 0 0 0 0 999 V2000 3.1713 0.8928 0.0000 C 0 0 3.1700 0.0661 0.0000 C 0 0 3.8823 -0.3464 0.0000 C 0 0 3.8803 1.3052 0.0000 C 0 0 4.5976 0.8969 0.0000 C 0 0 4.5968 0.0687 0.0000 C 0 0 5.3096 -0.3438 0.0000 C 0 0 6.0279 0.0671 0.0000 N 0 0 6.0288 0.8953 0.0000 C 0 0 5.3113 1.3124 0.0000 N 0 0 5.3076 -1.1680 0.0000 O 0 0 6.7433 1.3059 0.0000 S 0 0 6.7382 -0.3436 0.0000 C 0 0 6.7349 -1.1688 0.0000 C 0 0 7.4467 -1.5827 0.0000 C 0 0 8.1624 -1.1722 0.0000 C 0 0 8.1618 -0.3438 0.0000 C 0 0 7.4493 0.0661 0.0000 C 0 0 7.4491 0.8903 0.0000 Br 0 0 7 8 1 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 3 6 2 0 13 14 2 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 4 1 1 0 16 17 1 0 5 10 1 0 17 18 2 0 18 13 1 0 8 13 1 0 6 7 1 0 18 19 1 0 M END > CHEMBL496735 > 0 $$$$ CHEMBL447620 SciTegic12291823182D 19 21 0 0 0 0 999 V2000 11.4154 1.5859 0.0000 C 0 0 11.4142 0.7582 0.0000 C 0 0 12.1271 0.3454 0.0000 C 0 0 12.1252 1.9987 0.0000 C 0 0 12.8433 1.5898 0.0000 C 0 0 12.8425 0.7609 0.0000 C 0 0 13.5560 0.3478 0.0000 C 0 0 14.2750 0.7593 0.0000 N 0 0 14.2760 1.5883 0.0000 C 0 0 13.5578 2.0060 0.0000 N 0 0 13.5541 -0.4772 0.0000 O 0 0 14.9913 1.9994 0.0000 S 0 0 14.9884 0.3451 0.0000 C 0 0 14.9865 -0.4799 0.0000 C 0 0 14.2717 -0.8881 0.0000 C 0 0 14.2694 -1.7124 0.0000 C 0 0 14.9833 -2.1274 0.0000 C 0 0 15.7011 -1.7123 0.0000 C 0 0 15.7000 -0.8893 0.0000 C 0 0 7 8 1 0 8 9 1 0 9 10 1 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 8 13 1 0 3 6 2 0 13 14 1 0 1 2 2 0 14 15 2 0 5 4 2 0 15 16 1 0 4 1 1 0 16 17 2 0 5 10 1 0 17 18 1 0 6 7 1 0 18 19 2 0 19 14 1 0 M END > CHEMBL447620 > 0 $$$$ CHEMBL496267 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 -5.8213 -5.4295 0.0000 C 0 0 -5.8225 -6.2582 0.0000 C 0 0 -5.1086 -6.6717 0.0000 C 0 0 -5.1106 -5.0162 0.0000 C 0 0 -4.3914 -5.4255 0.0000 C 0 0 -4.3923 -6.2557 0.0000 C 0 0 -3.6777 -6.6692 0.0000 C 0 0 -2.9578 -6.2572 0.0000 N 0 0 -2.9568 -5.4270 0.0000 C 0 0 -3.6760 -5.0089 0.0000 N 0 0 -3.6797 -7.4953 0.0000 O 0 0 -2.2405 -5.0154 0.0000 S 0 0 -2.2433 -6.6720 0.0000 C 0 0 -0.8180 -7.4996 0.0000 C 0 0 -0.8186 -6.6692 0.0000 C 0 0 -1.5328 -6.2582 0.0000 C 0 0 -1.5354 -7.9109 0.0000 C 0 0 -2.2451 -7.4957 0.0000 C 0 0 -2.9576 -7.9026 0.0000 C 0 0 -2.9615 -8.7246 0.0000 C 0 0 -2.2471 -9.1380 0.0000 C 0 0 -1.5376 -8.7288 0.0000 C 0 0 5 6 1 0 7 11 2 0 9 12 2 0 2 3 1 0 8 13 1 0 13 18 2 0 3 6 2 0 17 14 2 0 1 2 2 0 14 15 1 0 5 4 2 0 15 16 2 0 16 13 1 0 4 1 1 0 5 10 1 0 17 18 1 0 6 7 1 0 18 19 1 0 7 8 1 0 19 20 2 0 8 9 1 0 20 21 1 0 9 10 1 0 21 22 2 0 22 17 1 0 M END > CHEMBL496267 > 0 $$$$ CHEMBL460734 SciTegic12291823182D 13 14 0 0 0 0 999 V2000 -2.2806 -10.7500 0.0000 C 0 0 -2.2818 -11.5773 0.0000 C 0 0 -1.5669 -11.9902 0.0000 C 0 0 -1.5687 -10.3372 0.0000 C 0 0 -0.8534 -10.7463 0.0000 C 0 0 -0.8545 -11.5748 0.0000 C 0 0 -0.1416 -11.9878 0.0000 C 0 0 0.5771 -11.5768 0.0000 N 0 0 0.5783 -10.7483 0.0000 C 0 0 -0.1392 -10.3308 0.0000 N 0 0 1.2904 -11.9913 0.0000 C 0 0 -0.1439 -12.8128 0.0000 O 0 0 1.2937 -10.3376 0.0000 S 0 0 3 6 2 0 1 2 2 0 5 4 2 0 4 1 1 0 5 10 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 5 6 1 0 8 11 1 0 7 12 2 0 2 3 1 0 9 13 2 0 M END > CHEMBL460734 > 0 $$$$ CHEMBL496323 SciTegic12291823182D 12 13 0 0 0 0 999 V2000 12.3092 -7.1512 0.0000 C 0 0 13.0256 -6.7414 0.0000 N 0 0 13.0265 -5.9154 0.0000 C 0 0 12.3110 -5.4994 0.0000 N 0 0 12.3073 -7.9732 0.0000 O 0 0 13.7392 -5.5060 0.0000 S 0 0 13.7364 -7.1541 0.0000 C 0 0 11.5983 -6.7398 0.0000 C 0 0 11.5988 -5.9148 0.0000 C 0 0 10.8142 -5.6595 0.0000 C 0 0 10.3289 -6.3268 0.0000 C 0 0 10.8135 -6.9943 0.0000 S 0 0 9 4 1 0 3 6 2 0 8 1 1 0 2 7 1 0 8 9 2 0 1 2 1 0 2 3 1 0 3 4 1 0 1 5 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 1 0 M END > CHEMBL496323 > 0 $$$$ CHEMBL496324 SciTegic12291823182D 17 19 0 0 0 0 999 V2000 -3.3616 -14.2379 0.0000 C 0 0 -2.6435 -13.8269 0.0000 N 0 0 -2.6426 -12.9989 0.0000 C 0 0 -3.3598 -12.5817 0.0000 N 0 0 -3.3637 -15.0620 0.0000 O 0 0 -1.9281 -12.5883 0.0000 S 0 0 -1.9309 -14.2407 0.0000 C 0 0 -4.0743 -13.8254 0.0000 C 0 0 -4.0740 -12.9983 0.0000 C 0 0 -4.8606 -12.7423 0.0000 C 0 0 -5.3471 -13.4113 0.0000 C 0 0 -4.8611 -14.0806 0.0000 S 0 0 -1.9366 -15.0628 0.0000 C 0 0 -1.2248 -15.4765 0.0000 C 0 0 -0.5091 -15.0661 0.0000 C 0 0 -0.5098 -14.2379 0.0000 C 0 0 -1.2222 -13.8279 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 1 5 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 1 0 9 4 1 0 7 13 2 0 3 6 2 0 13 14 1 0 8 1 1 0 14 15 2 0 2 7 1 0 15 16 1 0 8 9 2 0 16 17 2 0 17 7 1 0 M END > CHEMBL496324 > 0 $$$$ CHEMBL510478 SciTegic12291823182D 19 21 0 0 0 0 999 V2000 4.7922 -14.1709 0.0000 C 0 0 5.5104 -13.7598 0.0000 N 0 0 5.5114 -12.9317 0.0000 C 0 0 4.7940 -12.5145 0.0000 N 0 0 4.7903 -14.9950 0.0000 O 0 0 6.2260 -12.5211 0.0000 S 0 0 6.2231 -14.1736 0.0000 C 0 0 4.0794 -13.7583 0.0000 C 0 0 4.0798 -12.9311 0.0000 C 0 0 3.2932 -12.6751 0.0000 C 0 0 2.8065 -13.3441 0.0000 C 0 0 3.2925 -14.0135 0.0000 S 0 0 6.2174 -14.9959 0.0000 C 0 0 6.9294 -15.4096 0.0000 C 0 0 7.6450 -14.9992 0.0000 C 0 0 7.6444 -14.1709 0.0000 C 0 0 6.9320 -13.7608 0.0000 C 0 0 6.9298 -12.9367 0.0000 F 0 0 5.5018 -15.4045 0.0000 F 0 0 3 4 1 0 1 5 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 1 0 9 4 1 0 7 13 2 0 3 6 2 0 13 14 1 0 8 1 1 0 14 15 2 0 2 7 1 0 15 16 1 0 8 9 2 0 16 17 2 0 17 7 1 0 1 2 1 0 17 18 1 0 2 3 1 0 13 19 1 0 M END > CHEMBL510478 > 0 $$$$ CHEMBL495501 SciTegic12291823182D 21 24 0 0 0 0 999 V2000 14.2477 -14.4010 0.0000 C 0 0 14.9672 -13.9892 0.0000 N 0 0 14.9681 -13.1598 0.0000 C 0 0 14.2494 -12.7418 0.0000 N 0 0 14.2457 -15.2265 0.0000 O 0 0 15.6838 -12.7484 0.0000 S 0 0 15.6811 -14.4037 0.0000 C 0 0 13.5337 -13.9877 0.0000 C 0 0 13.5341 -13.1591 0.0000 C 0 0 12.7455 -14.2434 0.0000 S 0 0 15.6754 -15.2274 0.0000 C 0 0 16.3884 -15.6418 0.0000 C 0 0 17.1052 -15.2307 0.0000 C 0 0 17.1047 -14.4010 0.0000 C 0 0 16.3910 -13.9902 0.0000 C 0 0 12.2587 -13.5728 0.0000 C 0 0 12.7470 -12.9077 0.0000 C 0 0 12.4150 -12.1543 0.0000 C 0 0 11.5949 -12.0649 0.0000 C 0 0 11.1080 -12.7349 0.0000 C 0 0 11.4427 -13.4857 0.0000 C 0 0 16 10 1 0 10 8 1 0 7 11 2 0 1 5 2 0 11 12 1 0 9 4 1 0 12 13 2 0 3 6 2 0 13 14 1 0 8 1 1 0 14 15 2 0 15 7 1 0 2 7 1 0 8 9 2 0 16 17 2 0 1 2 1 0 17 18 1 0 2 3 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 17 1 0 20 21 2 0 21 16 1 0 M END > CHEMBL495501 > 0 $$$$ CHEMBL447653 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 -2.3083 -21.4828 0.0000 C 0 0 -1.5889 -21.0711 0.0000 N 0 0 -1.5880 -20.2415 0.0000 C 0 0 -2.3066 -19.8237 0.0000 N 0 0 -2.3104 -22.3083 0.0000 O 0 0 -0.8722 -19.8302 0.0000 S 0 0 -0.8750 -21.4856 0.0000 C 0 0 -3.0223 -21.0696 0.0000 C 0 0 -3.0220 -20.2409 0.0000 C 0 0 -3.8106 -21.3252 0.0000 S 0 0 -0.8807 -22.3092 0.0000 C 0 0 -0.1676 -22.7236 0.0000 C 0 0 0.5494 -22.3126 0.0000 C 0 0 0.5487 -21.4828 0.0000 C 0 0 -0.1650 -21.0721 0.0000 C 0 0 -4.2974 -20.6546 0.0000 C 0 0 -3.8090 -19.9895 0.0000 C 0 0 -4.1411 -19.2360 0.0000 C 0 0 -4.9613 -19.1466 0.0000 C 0 0 -5.4482 -19.8168 0.0000 C 0 0 -5.1135 -20.5674 0.0000 C 0 0 -0.1671 -20.2466 0.0000 F 0 0 -1.5977 -22.7185 0.0000 F 0 0 7 11 2 0 1 5 2 0 11 12 1 0 9 4 1 0 12 13 2 0 3 6 2 0 13 14 1 0 8 1 1 0 14 15 2 0 15 7 1 0 2 7 1 0 8 9 2 0 16 17 2 0 1 2 1 0 17 18 1 0 2 3 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 17 1 0 20 21 2 0 21 16 1 0 16 10 1 0 15 22 1 0 10 8 1 0 11 23 1 0 M END > CHEMBL447653 > 0 $$$$ CHEMBL447973 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 7.3083 -21.8241 0.0000 C 0 0 8.0276 -21.4124 0.0000 N 0 0 8.0285 -20.5829 0.0000 C 0 0 7.3100 -20.1651 0.0000 N 0 0 7.3062 -22.6495 0.0000 O 0 0 8.7442 -20.1716 0.0000 S 0 0 8.7415 -21.8268 0.0000 C 0 0 6.5943 -21.4109 0.0000 C 0 0 6.5947 -20.5823 0.0000 C 0 0 5.8062 -21.6664 0.0000 S 0 0 8.7357 -22.6504 0.0000 C 0 0 9.4487 -23.0647 0.0000 C 0 0 10.1656 -22.6538 0.0000 C 0 0 10.1650 -21.8241 0.0000 C 0 0 9.4513 -21.4134 0.0000 C 0 0 5.3194 -20.9960 0.0000 C 0 0 5.8078 -20.3309 0.0000 C 0 0 5.4757 -19.5775 0.0000 C 0 0 4.6557 -19.4882 0.0000 C 0 0 4.1688 -20.1582 0.0000 C 0 0 4.5035 -20.9088 0.0000 C 0 0 9.4492 -20.5880 0.0000 F 0 0 10.8793 -21.4106 0.0000 F 0 0 10.8800 -23.0673 0.0000 F 0 0 7 11 2 0 1 5 2 0 11 12 1 0 9 4 1 0 12 13 2 0 3 6 2 0 13 14 1 0 8 1 1 0 14 15 2 0 15 7 1 0 2 7 1 0 8 9 2 0 16 17 2 0 1 2 1 0 17 18 1 0 2 3 1 0 18 19 2 0 3 4 1 0 19 20 1 0 9 17 1 0 20 21 2 0 21 16 1 0 16 10 1 0 15 22 1 0 10 8 1 0 14 23 1 0 13 24 1 0 M END > CHEMBL447973 > 0 $$$$ CHEMBL466280 SciTegic12291823182D 34 37 0 0 0 0 999 V2000 17.7105 -17.1088 0.0000 N 0 0 16.9992 -17.5265 0.0000 C 0 0 17.7072 -16.2805 0.0000 C 0 0 2 0 0 0 16.9855 -15.8743 0.0000 C 0 0 16.9802 -15.0424 0.0000 C 0 0 17.6915 -14.6247 0.0000 C 0 0 18.4154 -15.0345 0.0000 C 0 0 18.4186 -15.8628 0.0000 C 0 0 1 0 0 0 19.1403 -16.2690 0.0000 C 0 0 19.8516 -15.8513 0.0000 C 0 0 19.8483 -15.0182 0.0000 N 0 0 20.5693 -16.2551 0.0000 N 0 0 20.5571 -14.6020 0.0000 C 0 0 21.2737 -15.0077 0.0000 C 0 0 21.2867 -15.8338 0.0000 C 0 0 22.0846 -16.0413 0.0000 C 0 0 22.5553 -15.4003 0.0000 N 0 0 22.0613 -14.7376 0.0000 N 0 0 22.3414 -16.8593 0.0000 C 0 0 21.7579 -17.4515 0.0000 C 0 0 23.1427 -17.0706 0.0000 C 0 0 20.5502 -13.7675 0.0000 O 0 0 16.2774 -17.1203 0.0000 N 0 0 17.0067 -18.3514 0.0000 N 0 0 16.2961 -18.7704 0.0000 C 0 0 15.5780 -18.3645 0.0000 C 0 0 15.5704 -17.5396 0.0000 C 0 0 14.8517 -17.1347 0.0000 C 0 0 14.1321 -16.7194 0.0000 F 0 0 14.4431 -17.8512 0.0000 F 0 0 15.2654 -16.4209 0.0000 F 0 0 14.8674 -18.7835 0.0000 C 0 0 14.1492 -18.3776 0.0000 O 0 0 14.8750 -19.6084 0.0000 O 0 0 11 10 1 0 10 12 2 0 12 15 1 0 14 13 1 0 13 11 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 1 0 16 19 1 0 19 20 1 0 19 21 1 0 13 22 2 0 2 23 2 0 2 24 1 0 1 2 1 0 24 25 2 0 3 4 1 0 25 26 1 0 4 5 1 0 26 27 2 0 23 27 1 0 5 6 1 0 27 28 1 0 6 7 1 0 28 29 1 0 7 8 1 0 28 30 1 0 8 3 1 0 28 31 1 0 3 1 1 6 26 32 1 0 8 9 1 1 32 33 2 0 9 10 1 0 32 34 1 0 M END > CHEMBL466280 > 1 $$$$ CHEMBL466068 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 -2.2522 -4.8698 0.0000 C 0 0 -2.9593 -5.2936 0.0000 C 0 0 -2.9441 -6.1177 0.0000 C 0 0 -2.2214 -6.5175 0.0000 C 0 0 -1.5126 -6.0871 0.0000 C 0 0 -1.5312 -5.2644 0.0000 C 0 0 -2.2684 -4.0450 0.0000 C 0 0 -1.5621 -3.6186 0.0000 C 0 0 -1.5639 -2.7875 0.0000 N 0 0 -0.8503 -4.0277 0.0000 N 0 0 -0.8521 -2.3747 0.0000 C 0 0 -0.1367 -2.7838 0.0000 C 0 0 -0.1364 -3.6149 0.0000 C 0 0 0.6540 -3.8715 0.0000 C 0 0 1.1424 -3.1990 0.0000 N 0 0 0.6536 -2.5268 0.0000 N 0 0 0.9092 -4.6560 0.0000 C 0 0 0.3573 -5.2693 0.0000 C 0 0 1.7162 -4.8273 0.0000 C 0 0 -0.8545 -1.5497 0.0000 O 0 0 -3.6808 -4.8936 0.0000 O 0 0 -4.3880 -5.3185 0.0000 C 0 0 -5.1095 -4.9185 0.0000 C 0 0 -5.1239 -4.0936 0.0000 N 0 0 -4.4184 -3.6681 0.0000 C 0 0 -4.4307 -2.8468 0.0000 C 0 0 -5.1505 -2.4429 0.0000 O 0 0 -5.8595 -2.8666 0.0000 C 0 0 -5.8488 -3.6942 0.0000 C 0 0 1 7 1 0 3 4 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 7 8 1 0 14 17 1 0 17 18 1 0 9 8 1 0 17 19 1 0 4 5 1 0 11 20 2 0 8 10 2 0 2 21 1 0 10 13 1 0 21 22 1 0 2 3 1 0 22 23 1 0 12 11 1 0 23 24 1 0 24 25 1 0 11 9 1 0 12 13 2 0 5 6 2 0 6 1 1 0 1 2 2 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > CHEMBL466068 > 1 $$$$ CHEMBL466481 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 6.3386 -17.3344 0.0000 N 0 0 5.6284 -17.7515 0.0000 C 0 0 6.3353 -16.5075 0.0000 C 0 0 2 0 0 0 5.6147 -16.1020 0.0000 C 0 0 5.6094 -15.2716 0.0000 C 0 0 6.3196 -14.8545 0.0000 C 0 0 7.0423 -15.2637 0.0000 C 0 0 7.0454 -16.0905 0.0000 C 0 0 1 0 0 0 7.7660 -16.4960 0.0000 C 0 0 8.4762 -16.0791 0.0000 C 0 0 8.4729 -15.2474 0.0000 N 0 0 9.1926 -16.4823 0.0000 N 0 0 9.1805 -14.8318 0.0000 C 0 0 9.8959 -15.2369 0.0000 C 0 0 9.9089 -16.0616 0.0000 C 0 0 10.7055 -16.2686 0.0000 C 0 0 11.1754 -15.6288 0.0000 N 0 0 10.6823 -14.9672 0.0000 N 0 0 10.9619 -17.0853 0.0000 C 0 0 10.3793 -17.6767 0.0000 C 0 0 11.7618 -17.2964 0.0000 C 0 0 9.1736 -13.9987 0.0000 O 0 0 4.9078 -17.3459 0.0000 N 0 0 5.6359 -18.5751 0.0000 N 0 0 4.9265 -18.9933 0.0000 C 0 0 4.2095 -18.5881 0.0000 C 0 0 4.2020 -17.7646 0.0000 C 0 0 5 6 1 0 6 7 1 0 7 8 1 0 8 3 1 0 3 1 1 6 8 9 1 1 9 10 1 0 11 10 1 0 10 12 2 0 12 15 1 0 14 13 1 0 13 11 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 1 0 16 19 1 0 19 20 1 0 19 21 1 0 13 22 2 0 2 23 2 0 2 24 1 0 1 2 1 0 24 25 2 0 3 4 1 0 25 26 1 0 4 5 1 0 26 27 2 0 23 27 1 0 M END > CHEMBL466481 > 1 $$$$ CHEMBL252387 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 16.5862 -6.0413 0.0000 N 0 0 13.8958 -5.6375 0.0000 C 0 0 13.8958 -6.4625 0.0000 C 0 0 14.6079 -6.8708 0.0000 S 0 0 14.6079 -5.2208 0.0000 N 0 0 15.3199 -5.6375 0.0000 N 0 0 15.3244 -6.4589 0.0000 C 0 0 16.1070 -6.7085 0.0000 N 0 0 16.0997 -5.3794 0.0000 C 0 0 16.3489 -4.5955 0.0000 C 0 0 17.1563 -4.4207 0.0000 C 0 0 17.4071 -3.6355 0.0000 C 0 0 16.8514 -3.0245 0.0000 C 0 0 16.0418 -3.2039 0.0000 C 0 0 15.7948 -3.9889 0.0000 C 0 0 13.1826 -5.2292 0.0000 C 0 0 13.1815 -4.4031 0.0000 C 0 0 12.4667 -3.9928 0.0000 C 0 0 11.7524 -4.4074 0.0000 C 0 0 11.7575 -5.2367 0.0000 C 0 0 12.4729 -5.6433 0.0000 C 0 0 12.4647 -3.1678 0.0000 O 0 0 11.0362 -3.9980 0.0000 O 0 0 13.1781 -2.7535 0.0000 C 0 0 10.3235 -4.4135 0.0000 C 0 0 17.7111 -5.0313 0.0000 O 0 0 18.5173 -4.8561 0.0000 C 0 0 15.4842 -2.5959 0.0000 O 0 0 15.7321 -1.8090 0.0000 C 0 0 2 5 2 0 14 15 2 0 15 10 1 0 9 10 1 0 3 4 1 0 7 8 2 0 16 17 2 0 8 1 1 0 17 18 1 0 1 9 2 0 18 19 2 0 9 6 1 0 19 20 1 0 4 7 1 0 20 21 2 0 21 16 1 0 2 16 1 0 6 5 1 0 18 22 1 0 10 11 2 0 19 23 1 0 6 7 1 0 22 24 1 0 11 12 1 0 23 25 1 0 11 26 1 0 12 13 2 0 26 27 1 0 2 3 1 0 14 28 1 0 13 14 1 0 28 29 1 0 M END > CHEMBL252387 > 1 $$$$ CHEMBL549560 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 5.5098 -17.9143 0.0000 C 0 0 4.7953 -18.3268 0.0000 C 0 0 4.7953 -19.1518 0.0000 C 0 0 5.5098 -19.5643 0.0000 C 0 0 6.2243 -19.1518 0.0000 C 0 0 6.2243 -18.3268 0.0000 C 0 0 6.9388 -19.5643 0.0000 C 0 0 6.9388 -20.3893 0.0000 C 0 0 7.6532 -20.8018 0.0000 C 0 0 8.3677 -20.3893 0.0000 C 0 0 8.3677 -19.5643 0.0000 N 0 0 7.6533 -19.1518 0.0000 N 0 0 9.1523 -20.6443 0.0000 N 0 0 9.6372 -19.9768 0.0000 N 0 0 9.1524 -19.3094 0.0000 C 0 0 9.4074 -18.5248 0.0000 C 0 0 10.2144 -18.3534 0.0000 C 0 0 10.4694 -17.5688 0.0000 C 0 0 9.9174 -16.9556 0.0000 C 0 0 9.1104 -17.1271 0.0000 C 0 0 8.8554 -17.9117 0.0000 C 0 0 10.7664 -18.9665 0.0000 O 0 0 8.5584 -16.5139 0.0000 O 0 0 11.5734 -18.7950 0.0000 C 0 0 5.5098 -17.0893 0.0000 O 0 0 8.7719 -15.7170 0.0000 C 0 0 6.2243 -16.6768 0.0000 C 0 0 1 0 0 0 6.9780 -17.0123 0.0000 C 0 0 7.5300 -16.3993 0.0000 O 0 0 7.1175 -15.6848 0.0000 C 0 0 6.3105 -15.8563 0.0000 C 0 0 4.0809 -17.9143 0.0000 O 0 0 3.3664 -18.3268 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 7 12 2 0 8 9 2 0 9 10 1 0 11 12 1 0 10 13 2 0 11 10 1 0 11 15 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 21 2 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 17 22 1 0 20 23 1 0 22 24 1 0 1 25 1 0 23 26 1 0 27 25 1 6 27 28 1 0 27 31 1 0 28 29 1 0 29 30 1 0 30 31 1 0 2 32 1 0 32 33 1 0 M END > CHEMBL549560 > 0 $$$$ CHEMBL564209 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 8.4827 -14.3572 0.0000 C 0 0 8.4827 -15.1822 0.0000 C 0 0 9.1947 -15.5905 0.0000 S 0 0 9.1947 -13.9407 0.0000 N 0 0 9.9067 -14.3572 0.0000 N 0 0 9.9066 -15.1833 0.0000 C 0 0 10.6921 -15.4385 0.0000 N 0 0 11.1777 -14.7703 0.0000 N 0 0 10.6922 -14.1021 0.0000 C 0 0 7.7695 -13.9491 0.0000 C 0 0 7.7684 -13.1229 0.0000 C 0 0 7.0537 -12.7126 0.0000 C 0 0 6.3394 -13.1273 0.0000 C 0 0 6.3445 -13.9565 0.0000 C 0 0 7.0599 -14.3630 0.0000 C 0 0 11.0992 -13.3823 0.0000 C 0 0 11.9271 -13.3777 0.0000 C 0 0 12.3341 -12.6588 0.0000 C 0 0 11.9141 -11.9454 0.0000 C 0 0 11.0830 -11.9555 0.0000 C 0 0 10.6798 -12.6751 0.0000 C 0 0 12.3447 -14.0891 0.0000 O 0 0 10.6616 -11.2464 0.0000 O 0 0 11.0651 -10.5268 0.0000 C 0 0 13.1696 -14.0832 0.0000 C 0 0 7.0517 -11.8877 0.0000 O 0 0 5.6233 -12.7178 0.0000 O 0 0 5.6198 -11.8929 0.0000 C 0 0 7.7650 -11.4735 0.0000 C 0 0 1 0 0 0 8.5221 -11.8041 0.0000 C 0 0 9.0725 -11.1897 0.0000 O 0 0 8.6583 -10.4762 0.0000 C 0 0 7.8519 -10.6498 0.0000 C 0 0 3 6 1 0 9 16 1 0 6 7 2 0 16 17 2 0 7 8 1 0 17 18 1 0 8 9 2 0 18 19 2 0 9 5 1 0 19 20 1 0 5 4 1 0 20 21 2 0 21 16 1 0 5 6 1 0 17 22 1 0 10 11 2 0 20 23 1 0 23 24 1 0 11 12 1 0 22 25 1 0 1 2 1 0 12 26 1 0 12 13 2 0 13 27 1 0 1 4 2 0 27 28 1 0 13 14 1 0 29 26 1 6 29 30 1 0 2 3 1 0 14 15 2 0 15 10 1 0 1 10 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 29 1 0 M END > CHEMBL564209 > 0 $$$$ CHEMBL572557 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 2.5652 -0.4375 0.0000 C 0 0 2.5641 -1.2648 0.0000 C 0 0 3.2789 -1.6777 0.0000 C 0 0 3.9953 -1.2644 0.0000 C 0 0 3.9925 -0.4338 0.0000 C 0 0 3.2771 -0.0247 0.0000 C 0 0 4.7054 -0.0186 0.0000 C 0 0 5.4186 -0.4315 0.0000 N 0 0 6.1311 -0.0170 0.0000 C 0 0 6.1284 0.8089 0.0000 C 0 0 5.4074 1.2185 0.0000 C 0 0 4.6979 0.8017 0.0000 C 0 0 6.8408 1.2250 0.0000 C 0 0 7.5500 1.6393 0.0000 N 0 0 5.4013 2.0435 0.0000 C 0 0 6.1174 2.4591 0.0000 C 0 0 6.1117 3.2833 0.0000 C 0 0 5.3937 3.6836 0.0000 C 0 0 4.6799 3.2693 0.0000 C 0 0 4.6891 2.4465 0.0000 C 0 0 6.8469 -0.4271 0.0000 O 0 0 3.9788 2.0269 0.0000 O 0 0 1.8493 -1.6768 0.0000 Br 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 2 23 1 0 M END > CHEMBL572557 > 0 $$$$ CHEMBL572792 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 9.0902 -0.3250 0.0000 C 0 0 9.0891 -1.1523 0.0000 C 0 0 9.8039 -1.5652 0.0000 C 0 0 10.5203 -1.1519 0.0000 C 0 0 10.5175 -0.3213 0.0000 C 0 0 9.8021 0.0878 0.0000 C 0 0 11.2304 0.0939 0.0000 C 0 0 11.9436 -0.3190 0.0000 N 0 0 12.6561 0.0955 0.0000 C 0 0 12.6534 0.9214 0.0000 C 0 0 11.9324 1.3310 0.0000 C 0 0 11.2229 0.9142 0.0000 C 0 0 13.3658 1.3375 0.0000 C 0 0 14.0750 1.7518 0.0000 N 0 0 11.9263 2.1560 0.0000 C 0 0 12.6424 2.5716 0.0000 C 0 0 12.6367 3.3958 0.0000 C 0 0 11.9187 3.7961 0.0000 C 0 0 11.2049 3.3818 0.0000 C 0 0 11.2141 2.5590 0.0000 C 0 0 13.3719 -0.3146 0.0000 O 0 0 10.5038 2.1394 0.0000 Cl 0 0 8.3743 -1.5643 0.0000 Br 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 2 23 1 0 M END > CHEMBL572792 > 0 $$$$ CHEMBL583742 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 15.6736 -0.4500 0.0000 C 0 0 15.6724 -1.2773 0.0000 C 0 0 16.3872 -1.6902 0.0000 C 0 0 17.1037 -1.2769 0.0000 C 0 0 17.1008 -0.4463 0.0000 C 0 0 16.3854 -0.0372 0.0000 C 0 0 17.8137 -0.0311 0.0000 C 0 0 18.5270 -0.4440 0.0000 N 0 0 19.2394 -0.0295 0.0000 C 0 0 19.2367 0.7964 0.0000 C 0 0 18.5157 1.2060 0.0000 C 0 0 17.8062 0.7892 0.0000 C 0 0 19.9491 1.2125 0.0000 C 0 0 20.6584 1.6268 0.0000 N 0 0 18.5097 2.0310 0.0000 C 0 0 19.2257 2.4466 0.0000 C 0 0 19.2201 3.2708 0.0000 C 0 0 18.5020 3.6711 0.0000 C 0 0 17.7883 3.2568 0.0000 C 0 0 17.7974 2.4340 0.0000 C 0 0 19.9552 -0.4396 0.0000 O 0 0 14.9576 -1.6893 0.0000 Br 0 0 17.0710 3.6645 0.0000 Cl 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 2 22 1 0 10 11 2 0 19 23 1 0 M END > CHEMBL583742 > 0 $$$$ CHEMBL575871 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 -5.0848 -7.2291 0.0000 C 0 0 -5.0859 -8.0565 0.0000 C 0 0 -4.3711 -8.4694 0.0000 C 0 0 -3.6547 -8.0560 0.0000 C 0 0 -3.6575 -7.2255 0.0000 C 0 0 -4.3729 -6.8164 0.0000 C 0 0 -2.9446 -6.8103 0.0000 C 0 0 -2.2314 -7.2231 0.0000 N 0 0 -1.5189 -6.8086 0.0000 C 0 0 -1.5216 -5.9828 0.0000 C 0 0 -2.2426 -5.5731 0.0000 C 0 0 -2.9521 -5.9900 0.0000 C 0 0 -0.8092 -5.5666 0.0000 C 0 0 -0.1000 -5.1523 0.0000 N 0 0 -2.2487 -4.7482 0.0000 C 0 0 -1.5326 -4.3325 0.0000 C 0 0 -1.5383 -3.5083 0.0000 C 0 0 -2.2563 -3.1081 0.0000 C 0 0 -2.9701 -3.5224 0.0000 C 0 0 -2.9609 -4.3452 0.0000 C 0 0 -0.8031 -7.2188 0.0000 O 0 0 -3.6712 -4.7648 0.0000 O 0 0 -4.3898 -4.3594 0.0000 C 0 0 -0.8284 -3.0880 0.0000 O 0 0 -0.1094 -3.4926 0.0000 C 0 0 -5.8007 -8.4684 0.0000 Br 0 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 22 23 1 0 5 6 2 0 17 24 1 0 11 12 1 0 24 25 1 0 12 7 2 0 2 26 1 0 M END > CHEMBL575871 > 0 $$$$ CHEMBL574381 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 0.6736 -7.3250 0.0000 C 0 0 0.6724 -8.1523 0.0000 C 0 0 1.3872 -8.5652 0.0000 C 0 0 2.1037 -8.1519 0.0000 C 0 0 2.1008 -7.3213 0.0000 C 0 0 1.3854 -6.9122 0.0000 C 0 0 2.8137 -6.9061 0.0000 C 0 0 3.5270 -7.3190 0.0000 N 0 0 4.2394 -6.9045 0.0000 C 0 0 4.2367 -6.0786 0.0000 C 0 0 3.5157 -5.6690 0.0000 C 0 0 2.8062 -6.0858 0.0000 C 0 0 4.9491 -5.6625 0.0000 C 0 0 5.6584 -5.2482 0.0000 N 0 0 3.5097 -4.8440 0.0000 C 0 0 4.2257 -4.4284 0.0000 C 0 0 4.2201 -3.6042 0.0000 C 0 0 3.5020 -3.2039 0.0000 C 0 0 2.7883 -3.6182 0.0000 C 0 0 2.7974 -4.4410 0.0000 C 0 0 4.9552 -7.3146 0.0000 O 0 0 2.0871 -4.8606 0.0000 O 0 0 1.3686 -4.4552 0.0000 C 0 0 3.4949 -2.3790 0.0000 O 0 0 4.2057 -1.9603 0.0000 C 0 0 -0.0424 -8.5643 0.0000 Br 0 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 22 23 1 0 5 6 2 0 18 24 1 0 11 12 1 0 24 25 1 0 12 7 2 0 2 26 1 0 M END > CHEMBL574381 > 0 $$$$ CHEMBL573694 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 7.1819 -6.2625 0.0000 C 0 0 7.1807 -7.0898 0.0000 C 0 0 7.8956 -7.5027 0.0000 C 0 0 8.6120 -7.0894 0.0000 C 0 0 8.6091 -6.2588 0.0000 C 0 0 7.8938 -5.8497 0.0000 C 0 0 9.3221 -5.8436 0.0000 C 0 0 10.0353 -6.2565 0.0000 N 0 0 10.7477 -5.8420 0.0000 C 0 0 10.7451 -5.0161 0.0000 C 0 0 10.0240 -4.6065 0.0000 C 0 0 9.3146 -5.0233 0.0000 C 0 0 11.4574 -4.6000 0.0000 C 0 0 12.1667 -4.1857 0.0000 N 0 0 10.0180 -3.7815 0.0000 C 0 0 10.7341 -3.3659 0.0000 C 0 0 10.7284 -2.5417 0.0000 C 0 0 10.0104 -2.1414 0.0000 C 0 0 9.2966 -2.5557 0.0000 C 0 0 9.3058 -3.3785 0.0000 C 0 0 11.4636 -6.2521 0.0000 N 0 0 8.5954 -3.7981 0.0000 O 0 0 6.4659 -7.5018 0.0000 Br 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 2 23 1 0 M END > CHEMBL573694 > 0 $$$$ CHEMBL572554 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 14.8277 -5.9166 0.0000 C 0 0 14.8266 -6.7440 0.0000 C 0 0 15.5414 -7.1569 0.0000 C 0 0 16.2578 -6.7435 0.0000 C 0 0 16.2550 -5.9130 0.0000 C 0 0 15.5396 -5.5039 0.0000 C 0 0 16.9679 -5.4978 0.0000 C 0 0 17.6811 -5.9106 0.0000 N 0 0 18.3936 -5.4961 0.0000 C 0 0 18.3909 -4.6703 0.0000 C 0 0 17.6699 -4.2606 0.0000 C 0 0 16.9604 -4.6775 0.0000 C 0 0 19.1033 -4.2541 0.0000 C 0 0 19.8125 -3.8398 0.0000 N 0 0 17.6638 -3.4357 0.0000 C 0 0 18.3799 -3.0200 0.0000 C 0 0 18.3742 -2.1958 0.0000 C 0 0 17.6562 -1.7956 0.0000 C 0 0 16.9424 -2.2099 0.0000 C 0 0 16.9516 -3.0327 0.0000 C 0 0 19.1094 -5.9063 0.0000 N 0 0 16.2413 -3.4523 0.0000 Cl 0 0 14.1118 -7.1559 0.0000 Br 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 2 23 1 0 M END > CHEMBL572554 > 0 $$$$ CHEMBL583188 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 -5.7181 -14.5208 0.0000 C 0 0 -5.7193 -15.3482 0.0000 C 0 0 -5.0044 -15.7610 0.0000 C 0 0 -4.2880 -15.3477 0.0000 C 0 0 -4.2909 -14.5172 0.0000 C 0 0 -5.0062 -14.1080 0.0000 C 0 0 -3.5779 -14.1020 0.0000 C 0 0 -2.8647 -14.5148 0.0000 N 0 0 -2.1523 -14.1003 0.0000 C 0 0 -2.1549 -13.2744 0.0000 C 0 0 -2.8760 -12.8648 0.0000 C 0 0 -3.5854 -13.2817 0.0000 C 0 0 -1.4426 -12.8583 0.0000 C 0 0 -0.7333 -12.4440 0.0000 N 0 0 -2.8820 -12.0398 0.0000 C 0 0 -2.1659 -11.6242 0.0000 C 0 0 -2.1716 -10.8000 0.0000 C 0 0 -2.8896 -10.3998 0.0000 C 0 0 -3.6034 -10.8140 0.0000 C 0 0 -3.5942 -11.6369 0.0000 C 0 0 -1.4364 -14.5105 0.0000 N 0 0 -6.4409 -15.7601 0.0000 Br 0 0 -4.3206 -10.4064 0.0000 Cl 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 2 22 1 0 10 11 2 0 19 23 1 0 M END > CHEMBL583188 > 0 $$$$ CHEMBL575478 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 0.7611 -13.5291 0.0000 C 0 0 0.7599 -14.3565 0.0000 C 0 0 1.4747 -14.7694 0.0000 C 0 0 2.1912 -14.3560 0.0000 C 0 0 2.1883 -13.5255 0.0000 C 0 0 1.4729 -13.1164 0.0000 C 0 0 2.9012 -13.1103 0.0000 C 0 0 3.6145 -13.5231 0.0000 N 0 0 4.3269 -13.1086 0.0000 C 0 0 4.3242 -12.2828 0.0000 C 0 0 3.6032 -11.8731 0.0000 C 0 0 2.8937 -12.2900 0.0000 C 0 0 5.0366 -11.8666 0.0000 C 0 0 5.7459 -11.4523 0.0000 N 0 0 3.5972 -11.0482 0.0000 C 0 0 4.3132 -10.6325 0.0000 C 0 0 4.3076 -9.8083 0.0000 C 0 0 3.5895 -9.4081 0.0000 C 0 0 2.8758 -9.8224 0.0000 C 0 0 2.8849 -10.6452 0.0000 C 0 0 5.0427 -13.5188 0.0000 N 0 0 2.1746 -11.0648 0.0000 O 0 0 1.4561 -10.6594 0.0000 C 0 0 5.0175 -9.3880 0.0000 O 0 0 5.7364 -9.7926 0.0000 C 0 0 0.0451 -14.7684 0.0000 Br 0 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 22 23 1 0 5 6 2 0 17 24 1 0 11 12 1 0 24 25 1 0 2 26 1 0 M END > CHEMBL575478 > 0 $$$$ CHEMBL575477 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 6.8277 -13.6875 0.0000 C 0 0 6.8266 -14.5148 0.0000 C 0 0 7.5414 -14.9277 0.0000 C 0 0 8.2578 -14.5144 0.0000 C 0 0 8.2550 -13.6838 0.0000 C 0 0 7.5396 -13.2747 0.0000 C 0 0 8.9679 -13.2686 0.0000 C 0 0 9.6811 -13.6815 0.0000 N 0 0 10.3936 -13.2670 0.0000 C 0 0 10.3909 -12.4411 0.0000 C 0 0 9.6699 -12.0315 0.0000 C 0 0 8.9604 -12.4483 0.0000 C 0 0 11.1033 -12.0250 0.0000 C 0 0 11.8125 -11.6107 0.0000 N 0 0 9.6638 -11.2065 0.0000 C 0 0 10.3799 -10.7909 0.0000 C 0 0 10.3742 -9.9667 0.0000 C 0 0 9.6562 -9.5664 0.0000 C 0 0 8.9424 -9.9807 0.0000 C 0 0 8.9516 -10.8035 0.0000 C 0 0 11.1094 -13.6771 0.0000 N 0 0 8.2413 -11.2231 0.0000 O 0 0 7.5227 -10.8177 0.0000 C 0 0 9.6491 -8.7415 0.0000 O 0 0 10.3599 -8.3228 0.0000 C 0 0 6.1118 -14.9268 0.0000 Br 0 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 22 23 1 0 5 6 2 0 18 24 1 0 11 12 1 0 24 25 1 0 12 7 2 0 2 26 1 0 M END > CHEMBL575477 > 0 $$$$ CHEMBL575676 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 13.0402 -13.1500 0.0000 C 0 0 13.0391 -13.9773 0.0000 C 0 0 13.7539 -14.3902 0.0000 C 0 0 14.4703 -13.9769 0.0000 C 0 0 14.4675 -13.1463 0.0000 C 0 0 13.7521 -12.7372 0.0000 C 0 0 15.1804 -12.7311 0.0000 C 0 0 15.8936 -13.1440 0.0000 N 0 0 16.6061 -12.7295 0.0000 C 0 0 16.6034 -11.9036 0.0000 C 0 0 15.8824 -11.4940 0.0000 C 0 0 15.1729 -11.9108 0.0000 C 0 0 17.3158 -11.4875 0.0000 C 0 0 18.0250 -11.0732 0.0000 N 0 0 15.8763 -10.6690 0.0000 C 0 0 16.5924 -10.2534 0.0000 C 0 0 16.5867 -9.4292 0.0000 C 0 0 15.8687 -9.0289 0.0000 C 0 0 15.1549 -9.4432 0.0000 C 0 0 15.1641 -10.2660 0.0000 C 0 0 17.3219 -13.1396 0.0000 O 0 0 14.4538 -10.6856 0.0000 O 0 0 12.3257 -12.7376 0.0000 Br 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 1 23 1 0 M END > CHEMBL575676 > 0 $$$$ CHEMBL573464 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 19.1777 -11.3416 0.0000 C 0 0 19.1766 -12.1690 0.0000 C 0 0 19.8914 -12.5819 0.0000 C 0 0 20.6078 -12.1685 0.0000 C 0 0 20.6050 -11.3380 0.0000 C 0 0 19.8896 -10.9289 0.0000 C 0 0 21.3179 -10.9228 0.0000 C 0 0 22.0311 -11.3356 0.0000 N 0 0 22.7436 -10.9211 0.0000 C 0 0 22.7409 -10.0953 0.0000 C 0 0 22.0199 -9.6856 0.0000 C 0 0 21.3104 -10.1025 0.0000 C 0 0 23.4533 -9.6791 0.0000 C 0 0 24.1625 -9.2648 0.0000 N 0 0 22.0138 -8.8607 0.0000 C 0 0 22.7299 -8.4450 0.0000 C 0 0 22.7242 -7.6208 0.0000 C 0 0 22.0062 -7.2206 0.0000 C 0 0 21.2924 -7.6349 0.0000 C 0 0 21.3016 -8.4577 0.0000 C 0 0 19.8912 -13.4069 0.0000 Br 0 0 23.4594 -11.3313 0.0000 N 0 0 20.5913 -8.8773 0.0000 O 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 3 21 1 0 2 3 1 0 9 22 2 0 10 11 2 0 20 23 1 0 M END > CHEMBL573464 > 0 $$$$ CHEMBL583735 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 -5.2056 -20.0208 0.0000 C 0 0 -5.2068 -20.8482 0.0000 C 0 0 -4.4919 -21.2610 0.0000 C 0 0 -3.7755 -20.8477 0.0000 C 0 0 -3.7784 -20.0172 0.0000 C 0 0 -4.4937 -19.6080 0.0000 C 0 0 -3.0654 -19.6020 0.0000 C 0 0 -2.3522 -20.0148 0.0000 N 0 0 -1.6398 -19.6003 0.0000 C 0 0 -1.6424 -18.7744 0.0000 C 0 0 -2.3635 -18.3648 0.0000 C 0 0 -3.0729 -18.7817 0.0000 C 0 0 -0.9301 -18.3583 0.0000 C 0 0 -0.2208 -17.9440 0.0000 N 0 0 -2.3695 -17.5398 0.0000 C 0 0 -1.6534 -17.1242 0.0000 C 0 0 -1.6591 -16.3000 0.0000 C 0 0 -2.3771 -15.8998 0.0000 C 0 0 -3.0909 -16.3140 0.0000 C 0 0 -3.0817 -17.1369 0.0000 C 0 0 -0.9239 -20.0105 0.0000 O 0 0 -3.7921 -17.5565 0.0000 O 0 0 -4.4962 -18.7830 0.0000 Br 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 6 23 1 0 M END > CHEMBL583735 > 0 $$$$ CHEMBL575051 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 1.1652 -19.7791 0.0000 C 0 0 1.1641 -20.6065 0.0000 C 0 0 1.8789 -21.0194 0.0000 C 0 0 2.5953 -20.6060 0.0000 C 0 0 2.5925 -19.7755 0.0000 C 0 0 1.8771 -19.3664 0.0000 C 0 0 3.3054 -19.3603 0.0000 C 0 0 4.0186 -19.7731 0.0000 N 0 0 4.7311 -19.3586 0.0000 C 0 0 4.7284 -18.5328 0.0000 C 0 0 4.0074 -18.1231 0.0000 C 0 0 3.2979 -18.5400 0.0000 C 0 0 5.4408 -18.1166 0.0000 C 0 0 6.1500 -17.7023 0.0000 N 0 0 4.0013 -17.2982 0.0000 C 0 0 4.7174 -16.8825 0.0000 C 0 0 4.7117 -16.0583 0.0000 C 0 0 3.9937 -15.6581 0.0000 C 0 0 3.2799 -16.0724 0.0000 C 0 0 3.2891 -16.8952 0.0000 C 0 0 5.4469 -19.7688 0.0000 N 0 0 2.5788 -17.3148 0.0000 O 0 0 3.3105 -21.0174 0.0000 Br 0 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 10 13 1 0 1 2 2 0 13 14 3 0 5 7 1 0 11 15 1 0 3 4 2 0 15 16 2 0 7 8 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 19 20 2 0 20 15 1 0 9 10 1 0 9 21 2 0 2 3 1 0 20 22 1 0 10 11 2 0 4 23 1 0 M END > CHEMBL575051 > 0 $$$$ CHEMBL575462 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 8.7495 -18.8447 0.0000 C 0 0 8.3429 -18.1242 0.0000 C 0 0 7.5174 -18.1171 0.0000 C 0 0 7.0976 -18.8298 0.0000 C 0 0 7.5094 -19.5511 0.0000 C 0 0 8.3335 -19.5546 0.0000 C 0 0 9.5745 -18.8514 0.0000 C 0 0 9.9790 -19.5700 0.0000 N 0 0 10.8032 -19.5771 0.0000 C 0 0 11.2224 -18.8655 0.0000 C 0 0 10.8113 -18.1453 0.0000 C 0 0 9.9884 -18.1417 0.0000 C 0 0 11.2095 -20.2951 0.0000 O 0 0 12.0457 -18.8708 0.0000 C 0 0 12.8707 -18.8764 0.0000 N 0 0 11.2271 -17.4327 0.0000 C 0 0 12.0496 -17.4413 0.0000 C 0 0 12.4653 -16.7296 0.0000 C 0 0 12.0560 -16.0123 0.0000 C 0 0 11.2267 -16.0111 0.0000 C 0 0 10.8148 -16.7234 0.0000 C 0 0 13.2903 -16.7338 0.0000 Cl 0 0 10 11 2 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 9 13 2 0 1 2 2 0 1 7 1 0 14 15 3 0 10 14 1 0 3 4 2 0 11 16 1 0 7 8 1 0 16 17 2 0 17 18 1 0 8 9 1 0 18 19 2 0 4 5 1 0 19 20 1 0 9 10 1 0 20 21 2 0 21 16 1 0 2 3 1 0 18 22 1 0 M END > CHEMBL575462 > 0 $$$$ CHEMBL573247 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 13.4578 -24.0510 0.0000 C 0 0 13.0512 -23.3305 0.0000 C 0 0 12.2258 -23.3234 0.0000 C 0 0 11.8059 -24.0361 0.0000 C 0 0 12.2177 -24.7574 0.0000 C 0 0 13.0417 -24.7609 0.0000 C 0 0 14.2828 -24.0577 0.0000 C 0 0 14.6872 -24.7763 0.0000 N 0 0 15.5113 -24.7834 0.0000 C 0 0 15.9305 -24.0718 0.0000 C 0 0 15.5193 -23.3516 0.0000 C 0 0 14.6966 -23.3480 0.0000 C 0 0 15.9177 -25.5012 0.0000 O 0 0 16.7539 -24.0771 0.0000 C 0 0 17.5788 -24.0827 0.0000 N 0 0 15.9352 -22.6390 0.0000 C 0 0 16.7596 -22.6534 0.0000 C 0 0 17.0230 -21.8705 0.0000 S 0 0 16.3587 -21.3791 0.0000 C 0 0 15.6871 -21.8600 0.0000 C 0 0 14 15 3 0 10 14 1 0 3 4 2 0 11 16 1 0 7 8 1 0 8 9 1 0 4 5 1 0 9 10 1 0 2 3 1 0 10 11 2 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 17 18 1 0 9 13 2 0 1 2 2 0 1 7 1 0 16 17 2 0 18 19 1 0 19 20 2 0 20 16 1 0 M END > CHEMBL573247 > 0 $$$$ CHEMBL584207 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 -3.4963 -25.2822 0.0000 C 0 0 -3.9030 -24.5617 0.0000 C 0 0 -4.7284 -24.5546 0.0000 C 0 0 -5.1482 -25.2673 0.0000 C 0 0 -4.7365 -25.9886 0.0000 C 0 0 -3.9124 -25.9921 0.0000 C 0 0 -2.6713 -25.2889 0.0000 C 0 0 -2.2668 -26.0075 0.0000 N 0 0 -1.4426 -26.0146 0.0000 C 0 0 -1.0235 -25.3030 0.0000 C 0 0 -1.4346 -24.5828 0.0000 C 0 0 -2.2574 -24.5792 0.0000 C 0 0 -1.0363 -26.7326 0.0000 N 0 0 -0.2001 -25.3083 0.0000 C 0 0 0.6248 -25.3139 0.0000 N 0 0 -1.0188 -23.8702 0.0000 C 0 0 -0.1963 -23.8788 0.0000 C 0 0 0.2194 -23.1671 0.0000 C 0 0 -0.1898 -22.4498 0.0000 C 0 0 -1.0191 -22.4486 0.0000 C 0 0 -1.4311 -23.1609 0.0000 C 0 0 1.0444 -23.1713 0.0000 Cl 0 0 10 11 2 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 9 13 2 0 1 2 2 0 1 7 1 0 14 15 3 0 10 14 1 0 3 4 2 0 11 16 1 0 7 8 1 0 16 17 2 0 17 18 1 0 8 9 1 0 18 19 2 0 4 5 1 0 19 20 1 0 9 10 1 0 20 21 2 0 21 16 1 0 2 3 1 0 18 22 1 0 M END > CHEMBL584207 > 0 $$$$ CHEMBL571271 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 13.8674 -24.4354 0.0000 C 0 0 13.4608 -23.7149 0.0000 C 0 0 12.6354 -23.7078 0.0000 C 0 0 12.2156 -24.4205 0.0000 C 0 0 12.6273 -25.1418 0.0000 C 0 0 13.4514 -25.1453 0.0000 C 0 0 14.6924 -24.4421 0.0000 C 0 0 15.0968 -25.1607 0.0000 N 0 0 15.9210 -25.1678 0.0000 C 0 0 16.3401 -24.4561 0.0000 C 0 0 15.9290 -23.7360 0.0000 C 0 0 15.1062 -23.7325 0.0000 C 0 0 16.3273 -25.8857 0.0000 N 0 0 17.1635 -24.4615 0.0000 C 0 0 17.9883 -24.4671 0.0000 N 0 0 16.3447 -23.0239 0.0000 C 0 0 17.1724 -23.0420 0.0000 C 0 0 17.4410 -22.2611 0.0000 S 0 0 16.7803 -21.7652 0.0000 C 0 0 16.1055 -22.2415 0.0000 C 0 0 14 15 3 0 10 14 1 0 3 4 2 0 11 16 1 0 7 8 1 0 8 9 1 0 4 5 1 0 9 10 1 0 2 3 1 0 10 11 2 0 5 6 2 0 11 12 1 0 12 7 2 0 6 1 1 0 17 18 1 0 9 13 2 0 1 2 2 0 1 7 1 0 16 17 2 0 18 19 1 0 19 20 2 0 20 16 1 0 M END > CHEMBL571271 > 0 $$$$ CHEMBL583122 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -3.8535 -0.5798 0.0000 C 0 0 -3.1404 -0.1645 0.0000 C 0 0 -2.4272 -0.5773 0.0000 N 0 0 -1.7148 -0.1628 0.0000 C 0 0 -1.7174 0.6631 0.0000 C 0 0 -2.4385 1.0727 0.0000 C 0 0 -3.1479 0.6558 0.0000 C 0 0 -1.0051 1.0792 0.0000 C 0 0 -0.2958 1.4935 0.0000 N 0 0 -2.4445 1.8977 0.0000 C 0 0 -1.7284 2.3133 0.0000 C 0 0 -1.7341 3.1375 0.0000 C 0 0 -2.4521 3.5377 0.0000 C 0 0 -3.1659 3.1235 0.0000 C 0 0 -3.1567 2.3006 0.0000 C 0 0 -0.9989 -0.5730 0.0000 O 0 0 -3.8671 1.8810 0.0000 O 0 0 -4.5393 -0.1218 0.0000 C 0 0 -5.1904 -0.6299 0.0000 C 0 0 -4.9069 -1.4059 0.0000 S 0 0 -4.0816 -1.3747 0.0000 C 0 0 2 3 1 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 5 8 1 0 15 17 1 0 18 19 2 0 8 9 3 0 4 5 1 0 6 10 1 0 1 18 1 0 19 20 1 0 20 21 1 0 21 1 2 0 M END > CHEMBL583122 > 0 $$$$ CHEMBL570101 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 1.4424 -2.9840 0.0000 C 0 0 2.1554 -2.5686 0.0000 C 0 0 2.8686 -2.9815 0.0000 N 0 0 3.5811 -2.5670 0.0000 C 0 0 3.5784 -1.7411 0.0000 C 0 0 2.8574 -1.3315 0.0000 C 0 0 2.1479 -1.7483 0.0000 C 0 0 4.2908 -1.3250 0.0000 C 0 0 5.0000 -0.9107 0.0000 N 0 0 2.8513 -0.5065 0.0000 C 0 0 3.5674 -0.0909 0.0000 C 0 0 3.5617 0.7333 0.0000 C 0 0 2.8437 1.1336 0.0000 C 0 0 2.1299 0.7193 0.0000 C 0 0 2.1391 -0.1035 0.0000 C 0 0 4.2969 -2.9771 0.0000 O 0 0 0.7566 -2.5259 0.0000 C 0 0 0.1054 -3.0341 0.0000 C 0 0 0.3889 -3.8101 0.0000 S 0 0 1.2143 -3.7789 0.0000 C 0 0 2.8366 1.9585 0.0000 O 0 0 3.5474 2.3772 0.0000 C 0 0 3.5403 3.2022 0.0000 C 0 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 13 21 1 0 2 3 1 0 21 22 1 0 10 11 2 0 22 23 1 0 M END > CHEMBL570101 > 0 $$$$ CHEMBL576858 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 7.8465 -0.8548 0.0000 C 0 0 8.5596 -0.4395 0.0000 C 0 0 9.2728 -0.8523 0.0000 N 0 0 9.9852 -0.4378 0.0000 C 0 0 9.9826 0.3881 0.0000 C 0 0 9.2615 0.7977 0.0000 C 0 0 8.5521 0.3808 0.0000 C 0 0 10.6949 0.8042 0.0000 C 0 0 11.4042 1.2185 0.0000 N 0 0 9.2555 1.6227 0.0000 C 0 0 9.9716 2.0383 0.0000 C 0 0 9.9659 2.8625 0.0000 C 0 0 9.2479 3.2627 0.0000 C 0 0 8.5341 2.8485 0.0000 C 0 0 8.5433 2.0256 0.0000 C 0 0 10.7011 -0.8480 0.0000 O 0 0 7.1607 -0.3968 0.0000 C 0 0 6.5096 -0.9049 0.0000 C 0 0 6.7931 -1.6809 0.0000 S 0 0 7.6184 -1.6497 0.0000 C 0 0 7.8329 1.6060 0.0000 O 0 0 7.1144 2.0114 0.0000 C 0 0 7.1062 2.8364 0.0000 C 0 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 15 21 1 0 2 3 1 0 21 22 1 0 10 11 2 0 22 23 1 0 M END > CHEMBL576858 > 0 $$$$ CHEMBL571949 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 13.4299 -1.6048 0.0000 C 0 0 14.1429 -1.1895 0.0000 C 0 0 14.8561 -1.6023 0.0000 N 0 0 15.5686 -1.1878 0.0000 C 0 0 15.5659 -0.3619 0.0000 C 0 0 14.8449 0.0477 0.0000 C 0 0 14.1354 -0.3692 0.0000 C 0 0 16.2783 0.0542 0.0000 C 0 0 16.9875 0.4685 0.0000 N 0 0 14.8388 0.8727 0.0000 C 0 0 15.5549 1.2883 0.0000 C 0 0 15.5492 2.1125 0.0000 C 0 0 14.8312 2.5127 0.0000 C 0 0 14.1174 2.0985 0.0000 C 0 0 14.1266 1.2756 0.0000 C 0 0 16.2844 -1.5980 0.0000 O 0 0 12.7441 -1.1468 0.0000 C 0 0 12.0929 -1.6549 0.0000 C 0 0 12.3764 -2.4309 0.0000 S 0 0 13.2018 -2.3997 0.0000 C 0 0 14.8241 3.3377 0.0000 O 0 0 15.5349 3.7564 0.0000 C 0 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 13 21 1 0 2 3 1 0 21 22 1 0 M END > CHEMBL571949 > 0 $$$$ CHEMBL574183 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 19.8090 -1.0423 0.0000 C 0 0 20.5221 -0.6270 0.0000 C 0 0 21.2353 -1.0398 0.0000 N 0 0 21.9477 -0.6253 0.0000 C 0 0 21.9451 0.2006 0.0000 C 0 0 21.2240 0.6102 0.0000 C 0 0 20.5146 0.1933 0.0000 C 0 0 22.6574 0.6167 0.0000 C 0 0 23.3667 1.0310 0.0000 N 0 0 21.2180 1.4352 0.0000 C 0 0 21.9341 1.8508 0.0000 C 0 0 21.9284 2.6750 0.0000 C 0 0 21.2104 3.0752 0.0000 C 0 0 20.4966 2.6610 0.0000 C 0 0 20.5058 1.8381 0.0000 C 0 0 22.6636 -1.0355 0.0000 O 0 0 19.1232 -0.5843 0.0000 C 0 0 18.4721 -1.0924 0.0000 C 0 0 18.7556 -1.8684 0.0000 S 0 0 19.5809 -1.8372 0.0000 C 0 0 19.7954 1.4185 0.0000 O 0 0 19.0769 1.8239 0.0000 C 0 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 15 21 1 0 2 3 1 0 21 22 1 0 M END > CHEMBL574183 > 0 $$$$ CHEMBL572744 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -3.7076 -8.4131 0.0000 C 0 0 -2.9946 -7.9978 0.0000 C 0 0 -2.2814 -8.4106 0.0000 N 0 0 -1.5689 -7.9961 0.0000 C 0 0 -1.5716 -7.1703 0.0000 C 0 0 -2.2926 -6.7606 0.0000 C 0 0 -3.0021 -7.1775 0.0000 C 0 0 -0.8592 -6.7541 0.0000 C 0 0 -0.1500 -6.3398 0.0000 N 0 0 -2.2987 -5.9357 0.0000 C 0 0 -1.5826 -5.5200 0.0000 C 0 0 -1.5883 -4.6958 0.0000 C 0 0 -2.3063 -4.2956 0.0000 C 0 0 -3.0201 -4.7099 0.0000 C 0 0 -3.0109 -5.5327 0.0000 C 0 0 -0.8531 -8.4063 0.0000 O 0 0 -4.3934 -7.9551 0.0000 C 0 0 -5.0446 -8.4632 0.0000 C 0 0 -4.7611 -9.2392 0.0000 S 0 0 -3.9357 -9.2080 0.0000 C 0 0 -2.3134 -3.4706 0.0000 Cl 0 0 2 3 1 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 13 21 1 0 M END > CHEMBL572744 > 0 $$$$ CHEMBL585366 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -4.0493 -14.8090 0.0000 C 0 0 -3.3363 -14.3936 0.0000 C 0 0 -2.6230 -14.8065 0.0000 N 0 0 -1.9106 -14.3920 0.0000 C 0 0 -1.9133 -13.5661 0.0000 C 0 0 -2.6343 -13.1565 0.0000 C 0 0 -3.3438 -13.5733 0.0000 C 0 0 -1.2009 -13.1500 0.0000 C 0 0 -0.4916 -12.7357 0.0000 N 0 0 -2.6403 -12.3315 0.0000 C 0 0 -1.9243 -11.9159 0.0000 C 0 0 -1.9299 -11.0917 0.0000 C 0 0 -2.6480 -10.6914 0.0000 C 0 0 -3.3617 -11.1057 0.0000 C 0 0 -3.3526 -11.9285 0.0000 C 0 0 -1.1948 -14.8021 0.0000 N 0 0 -4.0629 -12.3481 0.0000 O 0 0 -4.7351 -14.3509 0.0000 C 0 0 -5.3863 -14.8591 0.0000 C 0 0 -5.1028 -15.6351 0.0000 S 0 0 -4.2774 -15.6039 0.0000 C 0 0 2 3 1 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 5 8 1 0 15 17 1 0 18 19 2 0 8 9 3 0 4 5 1 0 6 10 1 0 1 18 1 0 19 20 1 0 20 21 1 0 21 1 2 0 M END > CHEMBL585366 > 0 $$$$ CHEMBL572789 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 1.3424 -16.4923 0.0000 C 0 0 2.0554 -16.0770 0.0000 C 0 0 2.7686 -16.4898 0.0000 N 0 0 3.4811 -16.0753 0.0000 C 0 0 3.4784 -15.2494 0.0000 C 0 0 2.7574 -14.8398 0.0000 C 0 0 2.0479 -15.2567 0.0000 C 0 0 4.1908 -14.8333 0.0000 C 0 0 4.9000 -14.4190 0.0000 N 0 0 2.7513 -14.0148 0.0000 C 0 0 3.4674 -13.5992 0.0000 C 0 0 3.4617 -12.7750 0.0000 C 0 0 2.7437 -12.3748 0.0000 C 0 0 2.0299 -12.7890 0.0000 C 0 0 2.0391 -13.6119 0.0000 C 0 0 4.1969 -16.4855 0.0000 N 0 0 0.6566 -16.0343 0.0000 C 0 0 0.0054 -16.5424 0.0000 C 0 0 0.2889 -17.3184 0.0000 S 0 0 1.1143 -17.2872 0.0000 C 0 0 2.7366 -11.5498 0.0000 O 0 0 3.4474 -11.1311 0.0000 C 0 0 3.4403 -10.3061 0.0000 C 0 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 13 21 1 0 2 3 1 0 21 22 1 0 10 11 2 0 22 23 1 0 M END > CHEMBL572789 > 0 $$$$ CHEMBL572782 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 7.6512 -14.6767 0.0000 C 0 0 8.3643 -14.2613 0.0000 C 0 0 9.0777 -14.6742 0.0000 N 0 0 9.7901 -14.2596 0.0000 C 0 0 9.7874 -13.4338 0.0000 C 0 0 9.0664 -13.0240 0.0000 C 0 0 8.3568 -13.4410 0.0000 C 0 0 10.4999 -13.0175 0.0000 C 0 0 11.2092 -12.6032 0.0000 N 0 0 9.0604 -12.1991 0.0000 C 0 0 9.7764 -11.7833 0.0000 C 0 0 9.7708 -10.9591 0.0000 C 0 0 9.0527 -10.5589 0.0000 C 0 0 8.3389 -10.9732 0.0000 C 0 0 8.3480 -11.7960 0.0000 C 0 0 10.5060 -14.6699 0.0000 N 0 0 6.9654 -14.2186 0.0000 C 0 0 6.3142 -14.7268 0.0000 C 0 0 6.5977 -15.5028 0.0000 S 0 0 7.4231 -15.4716 0.0000 C 0 0 7.6376 -12.2157 0.0000 O 0 0 6.9191 -11.8102 0.0000 C 0 0 6.9109 -10.9853 0.0000 C 0 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 15 21 1 0 2 3 1 0 21 22 1 0 10 11 2 0 22 23 1 0 M END > CHEMBL572782 > 0 $$$$ CHEMBL583180 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 13.2340 -15.8340 0.0000 C 0 0 13.9471 -15.4186 0.0000 C 0 0 14.6603 -15.8315 0.0000 N 0 0 15.3727 -15.4170 0.0000 C 0 0 15.3701 -14.5911 0.0000 C 0 0 14.6490 -14.1815 0.0000 C 0 0 13.9396 -14.5983 0.0000 C 0 0 16.0824 -14.1750 0.0000 C 0 0 16.7917 -13.7607 0.0000 N 0 0 14.6430 -13.3565 0.0000 C 0 0 15.3591 -12.9409 0.0000 C 0 0 15.3534 -12.1167 0.0000 C 0 0 14.6354 -11.7164 0.0000 C 0 0 13.9216 -12.1307 0.0000 C 0 0 13.9308 -12.9535 0.0000 C 0 0 16.0886 -15.8271 0.0000 N 0 0 12.5482 -15.3759 0.0000 C 0 0 11.8971 -15.8841 0.0000 C 0 0 12.1806 -16.6601 0.0000 S 0 0 13.0059 -16.6289 0.0000 C 0 0 14.6282 -10.8915 0.0000 O 0 0 15.3391 -10.4728 0.0000 C 0 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 13 21 1 0 2 3 1 0 21 22 1 0 M END > CHEMBL583180 > 0 $$$$ CHEMBL575872 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 19.5465 -14.9923 0.0000 C 0 0 20.2596 -14.5770 0.0000 C 0 0 20.9728 -14.9898 0.0000 N 0 0 21.6852 -14.5753 0.0000 C 0 0 21.6826 -13.7494 0.0000 C 0 0 20.9615 -13.3398 0.0000 C 0 0 20.2521 -13.7567 0.0000 C 0 0 22.3949 -13.3333 0.0000 C 0 0 23.1042 -12.9190 0.0000 N 0 0 20.9555 -12.5148 0.0000 C 0 0 21.6716 -12.0992 0.0000 C 0 0 21.6659 -11.2750 0.0000 C 0 0 20.9479 -10.8748 0.0000 C 0 0 20.2341 -11.2890 0.0000 C 0 0 20.2433 -12.1119 0.0000 C 0 0 22.4011 -14.9855 0.0000 N 0 0 18.8607 -14.5343 0.0000 C 0 0 18.2096 -15.0424 0.0000 C 0 0 18.4931 -15.8184 0.0000 S 0 0 19.3184 -15.7872 0.0000 C 0 0 19.5329 -12.5315 0.0000 O 0 0 18.8144 -12.1261 0.0000 C 0 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 15 21 1 0 2 3 1 0 21 22 1 0 M END > CHEMBL575872 > 0 $$$$ CHEMBL573660 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -3.9035 -22.6423 0.0000 C 0 0 -3.1904 -22.2270 0.0000 C 0 0 -2.4772 -22.6398 0.0000 N 0 0 -1.7648 -22.2253 0.0000 C 0 0 -1.7674 -21.3994 0.0000 C 0 0 -2.4885 -20.9898 0.0000 C 0 0 -3.1979 -21.4067 0.0000 C 0 0 -1.0551 -20.9833 0.0000 C 0 0 -0.3458 -20.5690 0.0000 N 0 0 -2.4945 -20.1648 0.0000 C 0 0 -1.7784 -19.7492 0.0000 C 0 0 -1.7841 -18.9250 0.0000 C 0 0 -2.5021 -18.5248 0.0000 C 0 0 -3.2159 -18.9390 0.0000 C 0 0 -3.2067 -19.7619 0.0000 C 0 0 -1.0489 -22.6355 0.0000 N 0 0 -4.5893 -22.1843 0.0000 C 0 0 -5.2404 -22.6924 0.0000 C 0 0 -4.9569 -23.4684 0.0000 S 0 0 -4.1316 -23.4372 0.0000 C 0 0 -2.5093 -17.6998 0.0000 Cl 0 0 2 3 1 0 10 11 2 0 5 6 2 0 11 12 1 0 1 2 1 0 12 13 2 0 6 7 1 0 13 14 1 0 7 2 2 0 14 15 2 0 15 10 1 0 3 4 1 0 4 16 2 0 17 18 2 0 5 8 1 0 8 9 3 0 4 5 1 0 1 17 1 0 18 19 1 0 19 20 1 0 20 1 2 0 6 10 1 0 13 21 1 0 M END > CHEMBL573660 > 0 $$$$ CHEMBL583914 SciTegic12291823182D 32 37 0 0 0 0 999 V2000 18.2383 -21.7576 0.0000 N 0 0 18.2371 -22.5852 0.0000 C 0 0 18.9522 -22.9982 0.0000 N 0 0 18.9504 -21.3446 0.0000 C 0 0 19.6660 -21.7539 0.0000 C 0 0 19.6709 -22.5853 0.0000 C 0 0 20.4630 -22.8376 0.0000 N 0 0 20.9478 -22.1620 0.0000 N 0 0 20.4551 -21.4925 0.0000 C 0 0 18.9479 -20.5194 0.0000 O 0 0 17.5222 -22.9970 0.0000 C 0 0 1 0 0 0 16.7479 -22.7091 0.0000 C 0 0 1 0 0 0 16.2338 -23.3547 0.0000 C 0 0 16.6888 -24.0432 0.0000 N 0 0 17.4842 -23.8230 0.0000 C 0 0 16.3307 -21.9910 0.0000 C 0 0 16.2682 -24.7544 0.0000 C 0 0 20.8698 -23.5499 0.0000 C 0 0 20.5796 -24.3171 0.0000 C 0 0 21.2196 -24.8302 0.0000 C 0 0 21.9053 -24.3801 0.0000 C 0 0 21.6891 -23.5888 0.0000 C 0 0 16.6733 -25.4735 0.0000 C 0 0 16.2507 -26.1811 0.0000 C 0 0 16.6551 -26.8996 0.0000 C 0 0 17.4943 -25.4777 0.0000 C 0 0 17.9011 -26.1933 0.0000 C 0 0 17.4795 -26.9063 0.0000 C 0 0 17.8860 -27.6259 0.0000 N 0 0 18.7141 -27.6337 0.0000 C 0 0 19.1341 -26.9160 0.0000 C 0 0 18.7250 -26.1992 0.0000 N 0 0 15 11 1 0 5 4 1 0 12 16 1 1 6 7 1 0 14 17 1 0 7 8 1 0 7 18 1 0 18 19 1 0 8 9 2 0 9 5 1 0 4 1 1 0 4 10 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 18 1 0 5 6 2 0 17 23 1 0 11 2 1 6 23 24 2 0 11 12 1 0 24 25 1 0 25 28 2 0 27 26 2 0 26 23 1 0 2 3 2 0 3 6 1 0 27 28 1 0 1 2 1 0 28 29 1 0 12 13 1 0 29 30 2 0 13 14 1 0 30 31 1 0 14 15 1 0 31 32 2 0 32 27 1 0 M END > CHEMBL583914 > 1 $$$$ CHEMBL551052 SciTegic12291823182D 34 37 0 0 0 0 999 V2000 11.8079 -2.7384 0.0000 C 0 0 12.5201 -3.9721 0.0000 N 0 0 12.5201 -2.3215 0.0000 N 0 0 11.7995 -3.5594 0.0000 C 0 0 11.0941 -2.3242 0.0000 O 0 0 11.0835 -3.9697 0.0000 N 0 0 10.3702 -3.5547 0.0000 C 0 0 9.6541 -3.9649 0.0000 C 0 0 8.9408 -3.5500 0.0000 N 0 0 8.9414 -2.7226 0.0000 C 0 0 8.2322 -2.3076 0.0000 C 0 0 7.5160 -2.7145 0.0000 O 0 0 7.5124 -3.5406 0.0000 C 0 0 8.2228 -3.9600 0.0000 C 0 0 12.5201 -1.4963 0.0000 C 0 0 13.2349 -1.0836 0.0000 C 0 0 13.2349 -0.2584 0.0000 O 0 0 13.9495 0.1542 0.0000 C 0 0 13.9495 0.9795 0.0000 C 0 0 14.6642 1.3921 0.0000 C 0 0 13.2324 -2.7384 0.0000 C 0 0 13.2308 -3.5618 0.0000 C 0 0 13.9419 -3.9732 0.0000 C 0 0 14.6552 -3.5621 0.0000 N 0 0 14.6528 -2.7356 0.0000 C 0 0 13.9411 -2.3279 0.0000 C 0 0 15.3632 -2.3192 0.0000 C 0 0 16.0796 -2.7314 0.0000 C 0 0 16.7924 -2.3171 0.0000 C 0 0 16.7902 -1.4910 0.0000 C 0 0 16.0692 -1.0808 0.0000 N 0 0 15.3592 -1.4974 0.0000 C 0 0 17.5030 -1.0751 0.0000 O 0 0 18.2196 -1.4845 0.0000 C 0 0 15 16 1 0 21 3 1 0 16 17 1 0 7 8 1 0 17 18 1 0 1 4 1 0 18 19 1 0 8 9 1 0 19 20 1 0 9 10 1 0 2 4 2 0 21 22 2 0 22 23 1 0 1 5 2 0 23 24 2 0 1 3 1 0 24 25 1 0 4 6 1 0 25 26 2 0 26 21 1 0 9 14 1 0 10 11 1 0 27 28 2 0 11 12 1 0 28 29 1 0 12 13 1 0 29 30 2 0 13 14 1 0 30 31 1 0 2 22 1 0 31 32 2 0 32 27 1 0 25 27 1 0 3 15 1 0 30 33 1 0 6 7 1 0 33 34 1 0 M END > CHEMBL551052 > 1 $$$$ CHEMBL567470 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 10.5216 -4.4003 0.0000 C 0 0 11.2337 -5.6337 0.0000 N 0 0 11.2337 -3.9836 0.0000 N 0 0 10.5133 -5.2212 0.0000 C 0 0 9.8079 -3.9863 0.0000 O 0 0 9.7974 -5.6314 0.0000 N 0 0 9.0843 -5.2165 0.0000 C 0 0 2 0 0 0 11.2337 -3.1585 0.0000 C 0 0 11.9482 -2.7460 0.0000 C 0 0 11.9482 -1.9209 0.0000 O 0 0 12.6627 -1.5084 0.0000 C 0 0 12.6627 -0.6834 0.0000 C 0 0 13.3773 -0.2708 0.0000 C 0 0 11.9458 -4.4003 0.0000 C 0 0 11.9442 -5.2236 0.0000 C 0 0 12.6551 -5.6348 0.0000 C 0 0 13.3683 -5.2239 0.0000 N 0 0 13.3659 -4.3975 0.0000 C 0 0 12.6542 -3.9900 0.0000 C 0 0 14.0760 -3.9813 0.0000 C 0 0 14.7922 -4.3933 0.0000 C 0 0 15.5050 -3.9792 0.0000 C 0 0 15.5028 -3.1532 0.0000 C 0 0 14.7819 -2.7432 0.0000 N 0 0 14.0721 -3.1596 0.0000 C 0 0 16.2154 -2.7375 0.0000 O 0 0 16.9318 -3.1467 0.0000 C 0 0 9.0892 -4.3944 0.0000 C 0 0 8.3801 -3.9797 0.0000 C 0 0 7.6619 -4.3863 0.0000 C 0 0 2 0 0 0 7.6572 -5.2123 0.0000 C 0 0 8.3707 -5.6317 0.0000 C 0 0 6.9502 -3.9687 0.0000 O 0 0 14 3 1 0 16 17 2 0 3 8 1 0 17 18 1 0 1 4 1 0 18 19 2 0 19 14 1 0 8 9 1 0 2 4 2 0 20 21 2 0 9 10 1 0 21 22 1 0 22 23 2 0 10 11 1 0 23 24 1 0 1 5 2 0 24 25 2 0 25 20 1 0 18 20 1 0 11 12 1 0 23 26 1 0 1 3 1 0 26 27 1 0 7 28 1 0 12 13 1 0 4 6 1 0 2 15 1 0 14 15 2 0 7 6 1 1 7 32 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 15 16 1 0 30 33 1 6 M END > CHEMBL567470 > 1 $$$$ CHEMBL570855 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 -3.0542 0.6750 0.0000 C 0 0 -3.0542 -0.1500 0.0000 C 0 0 -2.3421 -0.5583 0.0000 C 0 0 -1.6301 -0.1500 0.0000 C 0 0 -1.6301 0.6750 0.0000 N 0 0 -2.3421 1.0917 0.0000 C 0 0 -2.3421 1.9167 0.0000 N 0 0 -0.9181 -0.5625 0.0000 C 0 0 -0.9206 -1.3886 0.0000 C 0 0 -0.2076 -1.8020 0.0000 C 0 0 0.5084 -1.3905 0.0000 C 0 0 0.5070 -0.5612 0.0000 C 0 0 -0.2066 -0.1515 0.0000 C 0 0 1.2229 -1.8031 0.0000 Br 0 0 -3.7680 -0.5635 0.0000 C 0 0 -4.4824 -0.1508 0.0000 C 0 0 -5.1958 -0.5637 0.0000 C 0 0 -5.1951 -1.3896 0.0000 C 0 0 -4.4750 -1.8009 0.0000 C 0 0 -3.7645 -1.3856 0.0000 C 0 0 -3.7717 1.0891 0.0000 C 0 0 -4.4874 1.4995 0.0000 N 0 0 -3.0481 -1.7947 0.0000 O 0 0 -3.0442 -2.6197 0.0000 C 0 0 5 6 1 0 12 13 2 0 13 8 1 0 4 8 1 0 11 14 1 0 6 7 2 0 2 15 1 0 1 2 2 0 15 16 2 0 1 6 1 0 16 17 1 0 8 9 2 0 17 18 2 0 2 3 1 0 18 19 1 0 9 10 1 0 19 20 2 0 20 15 1 0 3 4 2 0 10 11 2 0 21 22 3 0 1 21 1 0 4 5 1 0 20 23 1 0 11 12 1 0 23 24 1 0 M END > CHEMBL570855 > 0 $$$$ CHEMBL569786 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -2.6309 0.9214 0.0000 C 0 0 -2.6309 0.0959 0.0000 C 0 0 -1.9184 -0.3127 0.0000 C 0 0 -1.2059 0.0959 0.0000 C 0 0 -1.2059 0.9214 0.0000 N 0 0 -1.9184 1.3384 0.0000 C 0 0 -1.9184 2.1639 0.0000 N 0 0 -0.4935 -0.3168 0.0000 C 0 0 -0.4960 -1.1434 0.0000 C 0 0 0.2176 -1.5572 0.0000 C 0 0 0.2186 0.0944 0.0000 C 0 0 -3.3489 1.3359 0.0000 C 0 0 -4.0651 1.7466 0.0000 N 0 0 0.9326 -0.3156 0.0000 C 0 0 0.9373 -1.1452 0.0000 C 0 0 -3.3444 -0.3184 0.0000 C 0 0 1.6527 -1.5573 0.0000 Br 0 0 -4.0956 0.0120 0.0000 C 0 0 -4.6461 -0.6025 0.0000 C 0 0 -4.2318 -1.3159 0.0000 C 0 0 -3.4253 -1.1421 0.0000 S 0 0 3 4 2 0 14 11 2 0 11 8 1 0 4 8 1 0 4 5 1 0 5 6 1 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 2 16 1 0 1 6 1 0 15 17 1 0 16 18 2 0 8 9 2 0 2 3 1 0 9 10 1 0 10 15 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 16 1 0 M END > CHEMBL569786 > 0 $$$$ CHEMBL579275 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 12.6625 0.7750 0.0000 C 0 0 12.6625 -0.0500 0.0000 C 0 0 13.3745 -0.4583 0.0000 C 0 0 14.0865 -0.0500 0.0000 C 0 0 14.0865 0.7750 0.0000 N 0 0 13.3745 1.1917 0.0000 C 0 0 13.3745 2.0167 0.0000 N 0 0 14.7986 -0.4625 0.0000 C 0 0 14.7960 -1.2886 0.0000 C 0 0 15.5091 -1.7020 0.0000 C 0 0 16.2251 -1.2905 0.0000 C 0 0 16.2237 -0.4612 0.0000 C 0 0 15.5100 -0.0515 0.0000 C 0 0 16.9395 -1.7031 0.0000 Br 0 0 11.9449 1.1891 0.0000 C 0 0 11.2293 1.5995 0.0000 N 0 0 11.9529 -0.4616 0.0000 C 0 0 11.1987 -0.1272 0.0000 C 0 0 10.6476 -0.7411 0.0000 C 0 0 11.0611 -1.4550 0.0000 S 0 0 11.8678 -1.2822 0.0000 C 0 0 10 11 2 0 4 5 1 0 11 12 1 0 5 6 1 0 12 13 2 0 13 8 1 0 4 8 1 0 11 14 1 0 6 7 2 0 1 2 2 0 15 16 3 0 1 15 1 0 17 18 1 0 1 6 1 0 8 9 2 0 2 3 1 0 9 10 1 0 3 4 2 0 18 19 2 0 19 20 1 0 20 21 1 0 21 17 2 0 2 17 1 0 M END > CHEMBL579275 > 0 $$$$ CHEMBL571372 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 -3.1540 -6.2913 0.0000 C 0 0 -3.1540 -7.1185 0.0000 C 0 0 -2.4401 -7.5278 0.0000 C 0 0 -1.7263 -7.1185 0.0000 C 0 0 -1.7263 -6.2913 0.0000 N 0 0 -2.4401 -5.8735 0.0000 C 0 0 -2.4401 -5.0464 0.0000 N 0 0 -1.0124 -7.5320 0.0000 C 0 0 -1.0149 -8.3603 0.0000 C 0 0 -0.3001 -8.7748 0.0000 C 0 0 0.4179 -8.3622 0.0000 C 0 0 0.4164 -7.5307 0.0000 C 0 0 -0.2991 -7.1200 0.0000 C 0 0 1.1341 -8.7759 0.0000 Br 0 0 -3.8734 -5.8761 0.0000 C 0 0 -4.5910 -5.4647 0.0000 N 0 0 -3.8654 -7.5311 0.0000 C 0 0 -4.5760 -7.1212 0.0000 C 0 0 -5.2869 -7.5331 0.0000 C 0 0 -5.2857 -8.3565 0.0000 C 0 0 -4.5675 -8.7661 0.0000 C 0 0 -3.8595 -8.3518 0.0000 C 0 0 -4.5767 -6.2940 0.0000 O 0 0 -5.2934 -5.8810 0.0000 C 0 0 -6.0094 -6.2953 0.0000 C 0 0 12 13 2 0 13 8 1 0 4 8 1 0 11 14 1 0 6 7 2 0 1 2 2 0 15 16 3 0 1 15 1 0 1 6 1 0 2 17 1 0 8 9 2 0 17 18 2 0 2 3 1 0 18 19 1 0 9 10 1 0 19 20 2 0 3 4 2 0 20 21 1 0 10 11 2 0 21 22 2 0 22 17 1 0 4 5 1 0 18 23 1 0 11 12 1 0 23 24 1 0 5 6 1 0 24 25 1 0 M END > CHEMBL571372 > 0 $$$$ CHEMBL570145 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 7.1769 -5.9153 0.0000 C 0 0 7.1769 -6.7425 0.0000 C 0 0 7.8909 -7.1518 0.0000 C 0 0 8.6047 -6.7425 0.0000 C 0 0 8.6047 -5.9153 0.0000 N 0 0 7.8909 -5.4976 0.0000 C 0 0 7.8909 -4.6704 0.0000 N 0 0 9.3186 -7.1561 0.0000 C 0 0 9.3161 -7.9843 0.0000 C 0 0 10.0309 -8.3988 0.0000 C 0 0 10.7488 -7.9862 0.0000 C 0 0 10.7474 -7.1548 0.0000 C 0 0 10.0319 -6.7440 0.0000 C 0 0 11.4651 -8.3999 0.0000 Br 0 0 6.4575 -5.5002 0.0000 C 0 0 5.7400 -5.0887 0.0000 N 0 0 6.4655 -7.1552 0.0000 C 0 0 5.7550 -6.7452 0.0000 C 0 0 5.0440 -7.1572 0.0000 C 0 0 5.0453 -7.9805 0.0000 C 0 0 5.7633 -8.3902 0.0000 C 0 0 6.4714 -7.9758 0.0000 C 0 0 4.3303 -8.3965 0.0000 O 0 0 3.6126 -7.9853 0.0000 C 0 0 2.8976 -8.4013 0.0000 C 0 0 12 13 2 0 13 8 1 0 4 8 1 0 11 14 1 0 6 7 2 0 1 2 2 0 15 16 3 0 1 15 1 0 1 6 1 0 2 17 1 0 8 9 2 0 17 18 2 0 2 3 1 0 18 19 1 0 9 10 1 0 19 20 2 0 3 4 2 0 20 21 1 0 10 11 2 0 21 22 2 0 22 17 1 0 4 5 1 0 20 23 1 0 11 12 1 0 23 24 1 0 5 6 1 0 24 25 1 0 M END > CHEMBL570145 > 0 $$$$ CHEMBL570507 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 14.7492 -5.9147 0.0000 C 0 0 14.7492 -6.7418 0.0000 C 0 0 15.4630 -7.1511 0.0000 C 0 0 16.1767 -6.7418 0.0000 C 0 0 16.1767 -5.9147 0.0000 N 0 0 15.4630 -5.4970 0.0000 C 0 0 15.4630 -4.6699 0.0000 N 0 0 16.8906 -7.1553 0.0000 C 0 0 16.8880 -7.9835 0.0000 C 0 0 17.6029 -8.3979 0.0000 C 0 0 17.6038 -6.7433 0.0000 C 0 0 14.0298 -5.4996 0.0000 C 0 0 13.3124 -5.0882 0.0000 N 0 0 14.0378 -7.1544 0.0000 C 0 0 13.3274 -6.7445 0.0000 C 0 0 12.6165 -7.1564 0.0000 C 0 0 12.6177 -7.9797 0.0000 C 0 0 13.3358 -8.3893 0.0000 C 0 0 14.0437 -7.9749 0.0000 C 0 0 18.3193 -7.1540 0.0000 C 0 0 18.3240 -7.9852 0.0000 C 0 0 19.1160 -8.2376 0.0000 O 0 0 19.6008 -7.5623 0.0000 C 0 0 19.1082 -6.8927 0.0000 O 0 0 14.7627 -8.3838 0.0000 O 0 0 14.7681 -9.2108 0.0000 C 0 0 5 6 1 0 12 13 3 0 1 12 1 0 2 14 1 0 6 7 2 0 14 15 2 0 1 2 2 0 15 16 1 0 1 6 1 0 16 17 2 0 8 9 2 0 17 18 1 0 2 3 1 0 18 19 2 0 19 14 1 0 20 21 1 0 9 10 1 0 10 21 2 0 3 4 2 0 20 11 2 0 11 8 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 20 1 0 4 8 1 0 19 25 1 0 4 5 1 0 25 26 1 0 M END > CHEMBL570507 > 0 $$$$ CHEMBL577098 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 -3.0833 -12.4458 0.0000 C 0 0 -3.0833 -13.2708 0.0000 C 0 0 -2.3713 -13.6792 0.0000 C 0 0 -1.6593 -13.2708 0.0000 C 0 0 -1.6593 -12.4458 0.0000 N 0 0 -2.3713 -12.0292 0.0000 C 0 0 -2.3713 -11.2042 0.0000 N 0 0 -0.9473 -13.6833 0.0000 C 0 0 -0.9498 -14.5094 0.0000 C 0 0 -0.2368 -14.9229 0.0000 C 0 0 -0.2358 -13.2724 0.0000 C 0 0 -3.8009 -12.0317 0.0000 C 0 0 -4.5166 -11.6213 0.0000 N 0 0 0.4778 -13.6821 0.0000 C 0 0 0.4826 -14.5112 0.0000 C 0 0 1.2726 -14.7629 0.0000 O 0 0 1.7561 -14.0893 0.0000 C 0 0 1.2649 -13.4214 0.0000 O 0 0 -3.7990 -13.6848 0.0000 C 0 0 -4.5532 -13.3504 0.0000 C 0 0 -5.1043 -13.9643 0.0000 C 0 0 -4.6907 -14.6782 0.0000 C 0 0 -3.8841 -14.5054 0.0000 S 0 0 11 8 1 0 4 8 1 0 4 5 1 0 5 6 1 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 19 20 2 0 2 3 1 0 9 10 1 0 10 15 2 0 3 4 2 0 14 11 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 19 1 0 2 19 1 0 M END > CHEMBL577098 > 0 $$$$ CHEMBL570012 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 5.0917 -12.5083 0.0000 C 0 0 5.0917 -13.3333 0.0000 C 0 0 5.8037 -13.7417 0.0000 C 0 0 6.5157 -13.3333 0.0000 C 0 0 6.5157 -12.5083 0.0000 N 0 0 5.8037 -12.0917 0.0000 C 0 0 5.8037 -11.2667 0.0000 N 0 0 7.2277 -13.7458 0.0000 C 0 0 7.2252 -14.5719 0.0000 C 0 0 7.9382 -14.9854 0.0000 C 0 0 7.9392 -13.3349 0.0000 C 0 0 4.3741 -12.0942 0.0000 C 0 0 3.6584 -11.6838 0.0000 N 0 0 8.6528 -13.7446 0.0000 C 0 0 8.6576 -14.5737 0.0000 C 0 0 9.4476 -14.8254 0.0000 O 0 0 9.9311 -14.1518 0.0000 C 0 0 9.4399 -13.4839 0.0000 O 0 0 4.3760 -13.7473 0.0000 C 0 0 3.6218 -13.4129 0.0000 C 0 0 3.0707 -14.0268 0.0000 C 0 0 3.4843 -14.7407 0.0000 S 0 0 4.2909 -14.5679 0.0000 C 0 0 11 8 1 0 4 8 1 0 4 5 1 0 5 6 1 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 19 20 1 0 2 3 1 0 9 10 1 0 10 15 2 0 3 4 2 0 14 11 2 0 20 21 2 0 21 22 1 0 22 23 1 0 23 19 2 0 2 19 1 0 M END > CHEMBL570012 > 0 $$$$ CHEMBL570719 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 13.5833 -12.7083 0.0000 C 0 0 13.5833 -13.5333 0.0000 C 0 0 14.2954 -13.9417 0.0000 C 0 0 15.0074 -13.5333 0.0000 C 0 0 15.0074 -12.7083 0.0000 N 0 0 14.2954 -12.2917 0.0000 C 0 0 14.2954 -11.4667 0.0000 N 0 0 15.7194 -13.9458 0.0000 C 0 0 15.7169 -14.7719 0.0000 C 0 0 16.4299 -15.1854 0.0000 C 0 0 16.4309 -13.5349 0.0000 C 0 0 12.8658 -12.2942 0.0000 C 0 0 12.1501 -11.8838 0.0000 N 0 0 17.1445 -13.9446 0.0000 C 0 0 17.1492 -14.7737 0.0000 C 0 0 17.9392 -15.0254 0.0000 O 0 0 18.4228 -14.3518 0.0000 C 0 0 17.9316 -13.6839 0.0000 O 0 0 12.8704 -13.9474 0.0000 C 0 0 12.1551 -13.5342 0.0000 C 0 0 11.4417 -13.9470 0.0000 C 0 0 11.4424 -14.7729 0.0000 C 0 0 12.1625 -15.1842 0.0000 C 0 0 12.8730 -14.7690 0.0000 C 0 0 13.5892 -15.1785 0.0000 O 0 0 13.5926 -16.0035 0.0000 C 0 0 14.3088 -16.4130 0.0000 C 0 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 2 3 1 0 9 10 1 0 19 20 2 0 10 15 2 0 20 21 1 0 3 4 2 0 21 22 2 0 14 11 2 0 22 23 1 0 11 8 1 0 23 24 2 0 24 19 1 0 2 19 1 0 4 8 1 0 24 25 1 0 4 5 1 0 25 26 1 0 5 6 1 0 26 27 1 0 M END > CHEMBL570719 > 0 $$$$ CHEMBL578581 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 -1.2750 -18.8292 0.0000 C 0 0 -1.2750 -19.6542 0.0000 C 0 0 -0.5630 -20.0625 0.0000 C 0 0 0.1490 -19.6542 0.0000 C 0 0 0.1490 -18.8292 0.0000 N 0 0 -0.5630 -18.4125 0.0000 C 0 0 -0.5630 -17.5875 0.0000 N 0 0 0.8611 -20.0666 0.0000 C 0 0 0.8585 -20.8927 0.0000 C 0 0 1.5716 -21.3062 0.0000 C 0 0 1.5725 -19.6557 0.0000 C 0 0 -1.9926 -18.4150 0.0000 C 0 0 -2.7083 -18.0046 0.0000 N 0 0 2.2862 -20.0654 0.0000 C 0 0 2.2909 -20.8945 0.0000 C 0 0 3.0809 -21.1462 0.0000 O 0 0 3.5645 -20.4727 0.0000 C 0 0 3.0732 -19.8048 0.0000 O 0 0 -1.9879 -20.0682 0.0000 C 0 0 -2.7033 -19.6550 0.0000 C 0 0 -3.4167 -20.0678 0.0000 C 0 0 -3.4159 -20.8937 0.0000 C 0 0 -2.6958 -21.3050 0.0000 C 0 0 -1.9854 -20.8898 0.0000 C 0 0 -4.1292 -21.3082 0.0000 O 0 0 -4.8448 -20.8977 0.0000 C 0 0 -5.5502 -21.3122 0.0000 C 0 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 2 3 1 0 9 10 1 0 19 20 2 0 10 15 2 0 20 21 1 0 3 4 2 0 21 22 2 0 14 11 2 0 22 23 1 0 11 8 1 0 23 24 2 0 24 19 1 0 2 19 1 0 4 8 1 0 22 25 1 0 4 5 1 0 25 26 1 0 5 6 1 0 26 27 1 0 M END > CHEMBL578581 > 0 $$$$ CHEMBL567239 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 9.2417 -18.8917 0.0000 C 0 0 9.2417 -19.7167 0.0000 C 0 0 9.9537 -20.1250 0.0000 C 0 0 10.6657 -19.7167 0.0000 C 0 0 10.6657 -18.8917 0.0000 N 0 0 9.9537 -18.4750 0.0000 C 0 0 9.9537 -17.6500 0.0000 O 0 0 11.3777 -20.1291 0.0000 C 0 0 11.3752 -20.9552 0.0000 C 0 0 12.0882 -21.3687 0.0000 C 0 0 12.0892 -19.7182 0.0000 C 0 0 8.5241 -18.4775 0.0000 C 0 0 7.8084 -18.0671 0.0000 N 0 0 12.8028 -20.1279 0.0000 C 0 0 12.8076 -20.9570 0.0000 C 0 0 8.5288 -20.1307 0.0000 C 0 0 7.8134 -19.7175 0.0000 C 0 0 7.1000 -20.1303 0.0000 C 0 0 7.1008 -20.9562 0.0000 C 0 0 7.8209 -21.3675 0.0000 C 0 0 8.5313 -20.9523 0.0000 C 0 0 13.5224 -21.3688 0.0000 Br 0 0 9.2475 -21.3618 0.0000 O 0 0 9.2509 -22.1868 0.0000 C 0 0 4 8 1 0 4 5 1 0 5 6 1 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 16 17 2 0 8 9 2 0 17 18 1 0 2 3 1 0 18 19 2 0 9 10 1 0 19 20 1 0 10 15 2 0 20 21 2 0 21 16 1 0 2 16 1 0 3 4 2 0 15 22 1 0 14 11 2 0 21 23 1 0 11 8 1 0 23 24 1 0 M END > CHEMBL567239 > 0 $$$$ CHEMBL1163017 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -3.1948 4.1929 0.0000 C 0 0 -3.1948 3.3679 0.0000 C 0 0 -3.9093 2.9554 0.0000 C 0 0 -4.6238 3.3679 0.0000 C 0 0 -4.6238 4.1929 0.0000 C 0 0 -3.9093 4.6054 0.0000 N 0 0 -2.4804 4.6054 0.0000 O 0 0 -5.3383 4.6054 0.0000 C 0 0 -3.9093 2.1304 0.0000 C 0 0 -2.4804 2.9554 0.0000 C 0 0 -1.7659 2.5429 0.0000 N 0 0 -3.2419 1.6454 0.0000 C 0 0 -3.4968 0.8608 0.0000 C 0 0 -4.3218 0.8608 0.0000 C 0 0 -4.5768 1.6454 0.0000 S 0 0 -6.0527 5.8429 0.0000 C 0 0 -5.3383 5.4304 0.0000 C 0 0 -6.0527 4.1929 0.0000 C 0 0 -6.7672 4.6054 0.0000 C 0 0 -6.7672 5.4304 0.0000 C 0 0 -7.4817 5.8429 0.0000 Br 0 0 1 2 1 0 1 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 7 2 0 5 8 1 0 3 9 1 0 2 10 1 0 10 11 3 0 15 9 1 0 12 9 2 0 12 13 1 0 13 14 2 0 14 15 1 0 17 8 1 0 8 18 2 0 16 17 2 0 18 19 1 0 19 20 2 0 20 16 1 0 20 21 1 0 M END > CHEMBL1163017 > 0 $$$$ CHEMBL578190 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 5.4915 0.6713 0.0000 C 0 0 5.4915 -0.1543 0.0000 C 0 0 6.2041 -0.5629 0.0000 C 0 0 6.9166 -0.1543 0.0000 C 0 0 6.9166 0.6713 0.0000 N 0 0 6.2041 1.0883 0.0000 C 0 0 7.6292 -0.5670 0.0000 C 0 0 7.6266 -1.3937 0.0000 C 0 0 8.3402 -1.8075 0.0000 C 0 0 8.3411 -0.1558 0.0000 C 0 0 4.7734 1.0858 0.0000 C 0 0 4.0572 1.4965 0.0000 N 0 0 9.0554 -0.5658 0.0000 C 0 0 9.0601 -1.3955 0.0000 C 0 0 4.7781 -0.5686 0.0000 C 0 0 9.7755 -1.8076 0.0000 Br 0 0 4.0267 -0.2382 0.0000 C 0 0 3.4763 -0.8527 0.0000 C 0 0 3.8906 -1.5662 0.0000 S 0 0 4.6971 -1.3924 0.0000 C 0 0 6.2041 1.9133 0.0000 O 0 0 3 4 2 0 13 10 2 0 10 7 1 0 4 7 1 0 4 5 1 0 5 6 1 0 11 12 3 0 1 11 1 0 13 14 1 0 6 21 2 0 1 2 2 0 2 15 1 0 1 6 1 0 14 16 1 0 15 17 1 0 7 8 2 0 2 3 1 0 8 9 1 0 9 14 2 0 17 18 2 0 18 19 1 0 19 20 1 0 20 15 2 0 M END > CHEMBL578190 > 0 $$$$ CHEMBL579236 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 13.3640 1.0466 0.0000 C 0 0 13.3640 0.2210 0.0000 C 0 0 14.0766 -0.1876 0.0000 C 0 0 14.7891 0.2210 0.0000 C 0 0 14.7891 1.0466 0.0000 N 0 0 14.0766 1.4636 0.0000 C 0 0 15.5016 -0.1917 0.0000 C 0 0 15.4991 -1.0185 0.0000 C 0 0 16.2126 -1.4323 0.0000 C 0 0 16.2136 0.2195 0.0000 C 0 0 12.6459 1.4611 0.0000 C 0 0 11.9297 1.8718 0.0000 N 0 0 16.9278 -0.1905 0.0000 C 0 0 16.9326 -1.0203 0.0000 C 0 0 12.6506 -0.1933 0.0000 C 0 0 17.6479 -1.4324 0.0000 Br 0 0 11.9366 0.2192 0.0000 C 0 0 11.2237 -0.1944 0.0000 C 0 0 11.2253 -1.0204 0.0000 C 0 0 11.9459 -1.4309 0.0000 C 0 0 12.6558 -1.0148 0.0000 C 0 0 13.3735 -1.4230 0.0000 O 0 0 13.3788 -2.2487 0.0000 C 0 0 14.0964 -2.6569 0.0000 C 0 0 14.0766 2.2886 0.0000 O 0 0 4 5 1 0 5 6 1 0 11 12 3 0 1 11 1 0 13 14 1 0 6 25 2 0 1 2 2 0 2 15 1 0 1 6 1 0 14 16 1 0 7 8 2 0 15 17 2 0 2 3 1 0 17 18 1 0 8 9 1 0 18 19 2 0 9 14 2 0 19 20 1 0 3 4 2 0 20 21 2 0 21 15 1 0 13 10 2 0 21 22 1 0 10 7 1 0 22 23 1 0 4 7 1 0 23 24 1 0 M END > CHEMBL579236 > 0 $$$$ CHEMBL577291 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 -1.4386 -5.0162 0.0000 C 0 0 -1.4386 -5.8418 0.0000 C 0 0 -0.7260 -6.2504 0.0000 C 0 0 -0.0135 -5.8418 0.0000 C 0 0 -0.0135 -5.0162 0.0000 N 0 0 -0.7260 -4.5992 0.0000 C 0 0 0.6991 -6.2546 0.0000 C 0 0 0.6965 -7.0813 0.0000 C 0 0 1.4101 -7.4950 0.0000 C 0 0 1.4110 -5.8433 0.0000 C 0 0 -2.1567 -4.6018 0.0000 C 0 0 -2.8729 -4.1911 0.0000 N 0 0 2.1253 -6.2533 0.0000 C 0 0 2.1300 -7.0830 0.0000 C 0 0 -2.1520 -6.2561 0.0000 C 0 0 2.8454 -7.4951 0.0000 Br 0 0 -2.8660 -5.8436 0.0000 C 0 0 -3.5789 -6.2572 0.0000 C 0 0 -3.5772 -7.0831 0.0000 C 0 0 -2.8567 -7.4936 0.0000 C 0 0 -2.1467 -7.0776 0.0000 C 0 0 -4.2907 -7.4987 0.0000 O 0 0 -5.0073 -7.0887 0.0000 C 0 0 -5.7206 -7.5042 0.0000 C 0 0 -0.7260 -3.7742 0.0000 O 0 0 4 5 1 0 5 6 1 0 11 12 3 0 1 11 1 0 13 14 1 0 6 25 2 0 1 2 2 0 2 15 1 0 1 6 1 0 14 16 1 0 7 8 2 0 15 17 2 0 2 3 1 0 17 18 1 0 8 9 1 0 18 19 2 0 9 14 2 0 19 20 1 0 3 4 2 0 20 21 2 0 21 15 1 0 13 10 2 0 19 22 1 0 10 7 1 0 22 23 1 0 4 7 1 0 23 24 1 0 M END > CHEMBL577291 > 0 $$$$ CHEMBL585014 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 9.2318 -5.5166 0.0000 C 0 0 9.2318 -6.3422 0.0000 C 0 0 9.9443 -6.7508 0.0000 C 0 0 10.6569 -6.3422 0.0000 C 0 0 10.6569 -5.5166 0.0000 N 0 0 9.9443 -5.0996 0.0000 C 0 0 9.9443 -4.2739 0.0000 O 0 0 11.3695 -6.7550 0.0000 C 0 0 11.3669 -7.5817 0.0000 C 0 0 12.0805 -7.9954 0.0000 C 0 0 12.0814 -6.3437 0.0000 C 0 0 8.5137 -5.1022 0.0000 C 0 0 7.7974 -4.6915 0.0000 N 0 0 8.5184 -6.7565 0.0000 C 0 0 7.8044 -6.3440 0.0000 C 0 0 7.0914 -6.7576 0.0000 C 0 0 7.0931 -7.5835 0.0000 C 0 0 7.8137 -7.9940 0.0000 C 0 0 8.5237 -7.5780 0.0000 C 0 0 9.2413 -7.9862 0.0000 O 0 0 9.2466 -8.8118 0.0000 C 0 0 12.7987 -6.7506 0.0000 C 0 0 12.8003 -7.5834 0.0000 C 0 0 13.5929 -7.8394 0.0000 O 0 0 14.0813 -7.1646 0.0000 C 0 0 13.5904 -6.4918 0.0000 O 0 0 5 6 1 0 12 13 3 0 1 12 1 0 2 14 1 0 6 7 2 0 14 15 2 0 1 2 2 0 15 16 1 0 1 6 1 0 16 17 2 0 8 9 2 0 17 18 1 0 2 3 1 0 18 19 2 0 19 14 1 0 9 10 1 0 19 20 1 0 10 23 2 0 20 21 1 0 22 23 1 0 3 4 2 0 22 11 2 0 11 8 1 0 4 8 1 0 4 5 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 22 1 0 M END > CHEMBL585014 > 0 $$$$ CHEMBL565532 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 -3.3000 -11.5708 0.0000 C 0 0 -3.3000 -12.3958 0.0000 C 0 0 -2.5880 -12.8042 0.0000 C 0 0 -1.8760 -12.3958 0.0000 C 0 0 -1.8760 -11.5708 0.0000 N 0 0 -2.5880 -11.1542 0.0000 C 0 0 -2.5880 -10.3292 0.0000 O 0 0 -1.1639 -12.8083 0.0000 C 0 0 -1.1665 -13.6344 0.0000 C 0 0 -0.4534 -14.0479 0.0000 C 0 0 -0.4525 -12.3974 0.0000 C 0 0 -4.0176 -11.1567 0.0000 C 0 0 -4.7333 -10.7463 0.0000 N 0 0 0.2643 -12.8039 0.0000 C 0 0 0.2659 -13.6362 0.0000 C 0 0 1.0579 -13.8919 0.0000 O 0 0 1.5459 -13.2176 0.0000 C 0 0 1.0554 -12.5453 0.0000 O 0 0 -4.0157 -12.8098 0.0000 C 0 0 -4.7698 -12.4754 0.0000 C 0 0 -5.3210 -13.0893 0.0000 C 0 0 -4.9074 -13.8032 0.0000 C 0 0 -4.1007 -13.6304 0.0000 S 0 0 11 8 1 0 4 8 1 0 4 5 1 0 5 6 1 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 19 20 2 0 2 3 1 0 9 10 1 0 10 15 2 0 3 4 2 0 14 11 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 19 1 0 2 19 1 0 M END > CHEMBL565532 > 0 $$$$ CHEMBL566159 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 5.6417 -12.2708 0.0000 C 0 0 5.6417 -13.0958 0.0000 C 0 0 6.3537 -13.5042 0.0000 C 0 0 7.0657 -13.0958 0.0000 C 0 0 7.0657 -12.2708 0.0000 N 0 0 6.3537 -11.8542 0.0000 C 0 0 6.3537 -11.0292 0.0000 O 0 0 7.7777 -13.5083 0.0000 C 0 0 7.7752 -14.3344 0.0000 C 0 0 8.4882 -14.7479 0.0000 C 0 0 8.4892 -13.0974 0.0000 C 0 0 4.9241 -11.8567 0.0000 C 0 0 4.2084 -11.4463 0.0000 N 0 0 9.2060 -13.5039 0.0000 C 0 0 9.2076 -14.3362 0.0000 C 0 0 9.9996 -14.5919 0.0000 O 0 0 10.4876 -13.9176 0.0000 C 0 0 9.9971 -13.2453 0.0000 O 0 0 4.9260 -13.5098 0.0000 C 0 0 4.1718 -13.1754 0.0000 C 0 0 3.6207 -13.7893 0.0000 C 0 0 4.0343 -14.5032 0.0000 S 0 0 4.8409 -14.3304 0.0000 C 0 0 11 8 1 0 4 8 1 0 4 5 1 0 5 6 1 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 19 20 1 0 2 3 1 0 9 10 1 0 10 15 2 0 3 4 2 0 14 11 2 0 20 21 2 0 21 22 1 0 22 23 1 0 23 19 2 0 2 19 1 0 M END > CHEMBL566159 > 0 $$$$ CHEMBL569829 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 13.1949 -12.2742 0.0000 C 0 0 13.1949 -13.0991 0.0000 C 0 0 13.9070 -13.5074 0.0000 C 0 0 14.6189 -13.0991 0.0000 C 0 0 14.6189 -12.2742 0.0000 N 0 0 13.9070 -11.8575 0.0000 C 0 0 13.9070 -11.0326 0.0000 O 0 0 15.3309 -13.5116 0.0000 C 0 0 15.3284 -14.3377 0.0000 C 0 0 16.0413 -14.7510 0.0000 C 0 0 16.0423 -13.1006 0.0000 C 0 0 12.4775 -11.8601 0.0000 C 0 0 11.7618 -11.4497 0.0000 N 0 0 16.7591 -13.5072 0.0000 C 0 0 16.7606 -14.3394 0.0000 C 0 0 17.5526 -14.5951 0.0000 O 0 0 18.0406 -13.9209 0.0000 C 0 0 17.5500 -13.2486 0.0000 O 0 0 12.4794 -13.5130 0.0000 C 0 0 11.7653 -13.0971 0.0000 C 0 0 11.0502 -13.5104 0.0000 C 0 0 11.0504 -14.3380 0.0000 C 0 0 11.7717 -14.7506 0.0000 C 0 0 12.4839 -14.3351 0.0000 C 0 0 13.2003 -14.7438 0.0000 O 0 0 13.2045 -15.5688 0.0000 C 0 0 13.9211 -15.9776 0.0000 C 0 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 2 3 1 0 2 19 1 0 9 10 1 0 19 20 2 0 10 15 2 0 20 21 1 0 3 4 2 0 21 22 2 0 14 11 2 0 22 23 1 0 11 8 1 0 23 24 2 0 24 19 1 0 4 8 1 0 24 25 1 0 4 5 1 0 25 26 1 0 5 6 1 0 26 27 1 0 M END > CHEMBL569829 > 0 $$$$ CHEMBL567042 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 -1.7208 -17.8375 0.0000 C 0 0 -1.7208 -18.6625 0.0000 C 0 0 -1.0088 -19.0708 0.0000 C 0 0 -0.2968 -18.6625 0.0000 C 0 0 -0.2968 -17.8375 0.0000 N 0 0 -1.0088 -17.4208 0.0000 C 0 0 -1.0088 -16.5958 0.0000 O 0 0 0.4152 -19.0750 0.0000 C 0 0 0.4127 -19.9011 0.0000 C 0 0 1.1257 -20.3145 0.0000 C 0 0 1.1267 -18.6640 0.0000 C 0 0 -2.4384 -17.4234 0.0000 C 0 0 -3.1541 -17.0130 0.0000 N 0 0 1.8435 -19.0706 0.0000 C 0 0 1.8451 -19.9028 0.0000 C 0 0 2.6371 -20.1586 0.0000 O 0 0 3.1251 -19.4843 0.0000 C 0 0 2.6346 -18.8120 0.0000 O 0 0 -2.4365 -19.0764 0.0000 C 0 0 -3.1506 -18.6605 0.0000 C 0 0 -3.8658 -19.0738 0.0000 C 0 0 -3.8656 -19.9014 0.0000 C 0 0 -3.1442 -20.3141 0.0000 C 0 0 -2.4320 -19.8985 0.0000 C 0 0 -4.5792 -20.3155 0.0000 O 0 0 -5.2945 -19.9045 0.0000 C 0 0 -6.0086 -20.3185 0.0000 C 0 0 12 13 3 0 1 12 1 0 14 15 1 0 6 7 2 0 1 2 2 0 1 6 1 0 8 9 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 14 1 0 2 3 1 0 2 19 1 0 9 10 1 0 19 20 2 0 10 15 2 0 20 21 1 0 3 4 2 0 21 22 2 0 14 11 2 0 22 23 1 0 11 8 1 0 23 24 2 0 24 19 1 0 4 8 1 0 22 25 1 0 4 5 1 0 25 26 1 0 5 6 1 0 26 27 1 0 M END > CHEMBL567042 > 0 $$$$ CHEMBL591059 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 -1.7431 2.1667 0.0000 C 0 0 -1.7443 1.3393 0.0000 C 0 0 -1.0294 0.9265 0.0000 C 0 0 -0.3130 1.3398 0.0000 C 0 0 -0.3159 2.1703 0.0000 C 0 0 -1.0312 2.5795 0.0000 C 0 0 0.4021 0.9284 0.0000 C 0 0 1.1159 1.3421 0.0000 O 0 0 1.8311 0.9307 0.0000 C 0 0 1.8277 0.1072 0.0000 C 0 0 2.5420 -0.3041 0.0000 C 0 0 2.5380 1.3465 0.0000 C 0 0 3.2528 0.9389 0.0000 C 0 0 3.2539 0.1082 0.0000 C 0 0 3.9699 -0.3039 0.0000 N 0 0 4.6893 0.1101 0.0000 C 0 0 4.6882 0.9408 0.0000 C 0 0 3.9677 1.3575 0.0000 C 0 0 3.9655 2.1825 0.0000 C 0 0 5.4038 -0.3025 0.0000 O 0 0 -2.4591 0.9274 0.0000 C 0 0 -3.1732 1.3405 0.0000 N 0 0 -2.4597 0.1024 0.0000 O 0 0 -3.1731 2.1697 0.0000 C 0 0 -3.8832 2.5827 0.0000 C 0 0 -4.6004 2.1742 0.0000 N 0 0 -4.6030 1.3483 0.0000 C 0 0 -3.8884 0.9307 0.0000 C 0 0 -5.3130 2.5900 0.0000 C 0 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 26 29 1 0 M END > CHEMBL591059 > 1 $$$$ CHEMBL589984 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 10.1611 1.8834 0.0000 C 0 0 10.1599 1.0560 0.0000 C 0 0 10.8747 0.6431 0.0000 C 0 0 11.5912 1.0565 0.0000 C 0 0 11.5883 1.8870 0.0000 C 0 0 10.8729 2.2961 0.0000 C 0 0 12.3063 0.6451 0.0000 C 0 0 13.0201 1.0587 0.0000 O 0 0 13.7352 0.6473 0.0000 C 0 0 13.7318 -0.1761 0.0000 C 0 0 14.4461 -0.5874 0.0000 C 0 0 14.4421 1.0631 0.0000 C 0 0 15.1570 0.6556 0.0000 C 0 0 15.1581 -0.1751 0.0000 C 0 0 15.8740 -0.5872 0.0000 N 0 0 16.5935 -0.1732 0.0000 C 0 0 16.5924 0.6574 0.0000 C 0 0 15.8719 1.0741 0.0000 C 0 0 15.8696 1.8991 0.0000 C 0 0 17.3079 -0.5858 0.0000 O 0 0 9.4451 0.6441 0.0000 C 0 0 8.7310 1.0571 0.0000 N 0 0 9.4445 -0.1809 0.0000 O 0 0 8.7310 1.8864 0.0000 C 0 0 8.0210 2.2993 0.0000 C 0 0 7.3038 1.8909 0.0000 N 0 0 7.3011 1.0649 0.0000 C 0 0 8.0157 0.6474 0.0000 C 0 0 6.5912 2.3067 0.0000 C 0 0 6.5950 3.1317 0.0000 C 0 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 26 29 1 0 1 2 2 0 29 30 1 0 M END > CHEMBL589984 > 1 $$$$ CHEMBL601295 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 -1.1639 -3.8208 0.0000 C 0 0 -1.1651 -4.6482 0.0000 C 0 0 -0.4503 -5.0610 0.0000 C 0 0 0.2662 -4.6477 0.0000 C 0 0 0.2633 -3.8172 0.0000 C 0 0 -0.4521 -3.4080 0.0000 C 0 0 0.9813 -5.0591 0.0000 C 0 0 1.6951 -4.6454 0.0000 O 0 0 2.4102 -5.0568 0.0000 C 0 0 2.4068 -5.8803 0.0000 C 0 0 3.1211 -6.2916 0.0000 C 0 0 3.1171 -4.6410 0.0000 C 0 0 3.8320 -5.0486 0.0000 C 0 0 3.8331 -5.8793 0.0000 C 0 0 4.5490 -6.2914 0.0000 N 0 0 5.2685 -5.8774 0.0000 C 0 0 5.2674 -5.0467 0.0000 C 0 0 4.5469 -4.6300 0.0000 C 0 0 4.5446 -3.8050 0.0000 C 0 0 5.9829 -6.2900 0.0000 O 0 0 -1.8799 -5.0601 0.0000 C 0 0 -2.5940 -4.6470 0.0000 N 0 0 -1.8805 -5.8851 0.0000 O 0 0 -2.5940 -3.8178 0.0000 C 0 0 -3.3040 -3.4048 0.0000 C 0 0 -4.0212 -3.8133 0.0000 N 0 0 -4.0239 -4.6392 0.0000 C 0 0 -3.3093 -5.0568 0.0000 C 0 0 -4.7338 -3.3975 0.0000 C 0 0 -4.7300 -2.5725 0.0000 C 0 0 -5.4426 -2.1567 0.0000 O 0 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 26 29 1 0 1 2 2 0 29 30 1 0 4 7 1 0 30 31 1 0 M END > CHEMBL601295 > 1 $$$$ CHEMBL591114 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 10.0902 -3.9000 0.0000 C 0 0 10.0891 -4.7273 0.0000 C 0 0 10.8039 -5.1402 0.0000 C 0 0 11.5203 -4.7269 0.0000 C 0 0 11.5175 -3.8963 0.0000 C 0 0 10.8021 -3.4872 0.0000 C 0 0 12.2355 -5.1382 0.0000 C 0 0 12.9493 -4.7246 0.0000 O 0 0 13.6644 -5.1360 0.0000 C 0 0 13.6610 -5.9594 0.0000 C 0 0 14.3753 -6.3707 0.0000 C 0 0 14.3713 -4.7202 0.0000 C 0 0 15.0861 -5.1278 0.0000 C 0 0 15.0872 -5.9585 0.0000 C 0 0 15.8032 -6.3706 0.0000 N 0 0 16.5227 -5.9566 0.0000 C 0 0 16.5216 -5.1259 0.0000 C 0 0 15.8010 -4.7092 0.0000 C 0 0 15.7988 -3.8842 0.0000 C 0 0 17.2371 -6.3691 0.0000 O 0 0 9.3743 -5.1393 0.0000 C 0 0 8.6601 -4.7262 0.0000 N 0 0 9.3736 -5.9643 0.0000 O 0 0 8.6602 -3.8970 0.0000 C 0 0 7.9502 -3.4840 0.0000 C 0 0 7.2329 -3.8924 0.0000 C 0 0 7.2303 -4.7184 0.0000 C 0 0 7.9449 -5.1359 0.0000 C 0 0 6.5204 -3.4767 0.0000 O 0 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 26 29 2 0 M END > CHEMBL591114 > 1 $$$$ CHEMBL591997 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 -1.2597 -9.2701 0.0000 C 0 0 -1.2608 -10.0974 0.0000 C 0 0 -0.5461 -10.5102 0.0000 C 0 0 0.1703 -10.0969 0.0000 C 0 0 0.1675 -9.2665 0.0000 C 0 0 -0.5479 -8.8573 0.0000 C 0 0 0.8854 -10.5083 0.0000 C 0 0 1.5992 -10.0946 0.0000 O 0 0 2.3142 -10.5060 0.0000 C 0 0 2.3108 -11.3294 0.0000 C 0 0 3.0251 -11.7407 0.0000 C 0 0 3.0211 -10.0902 0.0000 C 0 0 3.7358 -10.4978 0.0000 C 0 0 3.7369 -11.3284 0.0000 C 0 0 4.4528 -11.7405 0.0000 N 0 0 5.1723 -11.3265 0.0000 C 0 0 5.1712 -10.4959 0.0000 C 0 0 4.4506 -10.0792 0.0000 C 0 0 4.4484 -9.2543 0.0000 C 0 0 5.8866 -11.7391 0.0000 O 0 0 -1.9755 -10.5093 0.0000 C 0 0 -2.6897 -10.0962 0.0000 N 0 0 -1.9762 -11.3342 0.0000 O 0 0 -2.6896 -9.2671 0.0000 C 0 0 -3.3995 -8.8541 0.0000 C 0 0 -4.1168 -9.2626 0.0000 C 0 0 -4.1194 -10.0884 0.0000 C 0 0 -3.4048 -10.5060 0.0000 C 0 0 -4.8292 -8.8468 0.0000 C 0 0 -4.8255 -8.0219 0.0000 O 0 0 -5.5456 -9.2560 0.0000 O 0 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 26 29 1 0 1 2 2 0 29 30 2 0 4 7 1 0 29 31 1 0 M END > CHEMBL591997 > 1 $$$$ CHEMBL592241 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 9.7562 -9.4784 0.0000 C 0 0 9.7550 -10.3058 0.0000 C 0 0 10.4699 -10.7187 0.0000 C 0 0 11.1862 -10.3053 0.0000 C 0 0 11.1833 -9.4748 0.0000 C 0 0 10.4681 -9.0658 0.0000 C 0 0 11.9013 -10.7167 0.0000 C 0 0 12.6150 -10.3031 0.0000 O 0 0 13.3302 -10.7145 0.0000 C 0 0 13.3268 -11.5378 0.0000 C 0 0 14.0410 -11.9491 0.0000 C 0 0 14.0370 -10.2987 0.0000 C 0 0 14.7518 -10.7062 0.0000 C 0 0 14.7529 -11.5368 0.0000 C 0 0 15.4688 -11.9489 0.0000 N 0 0 16.1882 -11.5349 0.0000 C 0 0 16.1871 -10.7044 0.0000 C 0 0 15.4666 -10.2877 0.0000 C 0 0 15.4644 -9.4627 0.0000 C 0 0 16.9026 -11.9475 0.0000 O 0 0 9.0403 -10.7177 0.0000 C 0 0 8.3262 -10.3047 0.0000 N 0 0 9.0397 -11.5426 0.0000 O 0 0 8.3263 -9.4754 0.0000 C 0 0 7.6163 -9.0626 0.0000 C 0 0 6.8991 -9.4709 0.0000 C 0 0 6.8965 -10.2969 0.0000 C 0 0 7.6111 -10.7144 0.0000 C 0 0 6.1866 -9.0552 0.0000 O 0 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 26 29 1 0 M END > CHEMBL592241 > 1 $$$$ CHEMBL592242 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 -2.1014 -14.4125 0.0000 C 0 0 -2.1026 -15.2398 0.0000 C 0 0 -1.3878 -15.6527 0.0000 C 0 0 -0.6713 -15.2394 0.0000 C 0 0 -0.6742 -14.4088 0.0000 C 0 0 -1.3896 -13.9997 0.0000 C 0 0 0.0438 -15.6507 0.0000 C 0 0 0.7576 -15.2371 0.0000 O 0 0 1.4727 -15.6485 0.0000 C 0 0 1.4693 -16.4719 0.0000 C 0 0 2.1836 -16.8832 0.0000 C 0 0 2.1796 -15.2327 0.0000 C 0 0 2.8945 -15.6403 0.0000 C 0 0 2.8956 -16.4710 0.0000 C 0 0 3.6115 -16.8831 0.0000 N 0 0 4.3310 -16.4691 0.0000 C 0 0 4.3299 -15.6384 0.0000 C 0 0 3.6094 -15.2217 0.0000 C 0 0 3.6071 -14.3967 0.0000 C 0 0 5.0454 -16.8816 0.0000 O 0 0 -2.8174 -15.6518 0.0000 C 0 0 -3.5315 -15.2387 0.0000 N 0 0 -2.8180 -16.4768 0.0000 O 0 0 -3.5315 -14.4095 0.0000 C 0 0 -4.2415 -13.9965 0.0000 C 0 0 -4.9587 -14.4049 0.0000 C 0 0 -4.9614 -15.2309 0.0000 C 0 0 -4.2468 -15.6484 0.0000 C 0 0 6 1 1 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M END > CHEMBL592242 > 1 $$$$ CHEMBL592243 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 9.9819 -14.2541 0.0000 C 0 0 9.9807 -15.0815 0.0000 C 0 0 10.6956 -15.4944 0.0000 C 0 0 11.4120 -15.0810 0.0000 C 0 0 11.4091 -14.2505 0.0000 C 0 0 10.6938 -13.8414 0.0000 C 0 0 12.1271 -15.4924 0.0000 C 0 0 12.8409 -15.0788 0.0000 O 0 0 13.5561 -15.4902 0.0000 C 0 0 13.5527 -16.3136 0.0000 C 0 0 14.2670 -16.7249 0.0000 C 0 0 14.2630 -15.0744 0.0000 C 0 0 14.9778 -15.4819 0.0000 C 0 0 14.9789 -16.3126 0.0000 C 0 0 15.6949 -16.7247 0.0000 N 0 0 16.4143 -16.3107 0.0000 C 0 0 16.4132 -15.4801 0.0000 C 0 0 15.6927 -15.0634 0.0000 C 0 0 15.6905 -14.2384 0.0000 C 0 0 17.1288 -16.7233 0.0000 O 0 0 9.2659 -15.4934 0.0000 C 0 0 8.5518 -15.0804 0.0000 N 0 0 9.2653 -16.3184 0.0000 O 0 0 8.5519 -14.2511 0.0000 C 0 0 7.8418 -13.8382 0.0000 C 0 0 7.1246 -14.2466 0.0000 C 0 0 7.1220 -15.0726 0.0000 C 0 0 7.8366 -15.4901 0.0000 C 0 0 6.4120 -13.8308 0.0000 C 0 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 6 1 1 0 26 29 1 0 M END > CHEMBL592243 > 1 $$$$ CHEMBL603613 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 -1.9556 -20.0750 0.0000 C 0 0 -1.9568 -20.9023 0.0000 C 0 0 -1.2419 -21.3152 0.0000 C 0 0 -0.5255 -20.9019 0.0000 C 0 0 -0.5284 -20.0713 0.0000 C 0 0 -1.2437 -19.6622 0.0000 C 0 0 0.1896 -21.3132 0.0000 C 0 0 0.9034 -20.8996 0.0000 O 0 0 1.6186 -21.3110 0.0000 C 0 0 1.6152 -22.1344 0.0000 C 0 0 2.3295 -22.5457 0.0000 C 0 0 2.3255 -20.8952 0.0000 C 0 0 3.0403 -21.3028 0.0000 C 0 0 3.0414 -22.1335 0.0000 C 0 0 3.7574 -22.5456 0.0000 N 0 0 4.4768 -22.1316 0.0000 C 0 0 4.4757 -21.3009 0.0000 C 0 0 3.7552 -20.8842 0.0000 C 0 0 3.7530 -20.0592 0.0000 C 0 0 5.1913 -22.5441 0.0000 O 0 0 -2.6716 -21.3143 0.0000 C 0 0 -3.3857 -20.9012 0.0000 N 0 0 -2.6722 -22.1393 0.0000 O 0 0 -3.3856 -20.0720 0.0000 C 0 0 -4.0957 -19.6590 0.0000 C 0 0 -4.8129 -20.0674 0.0000 O 0 0 -4.8155 -20.8934 0.0000 C 0 0 -4.1009 -21.3109 0.0000 C 0 0 6 1 1 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 22 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M END > CHEMBL603613 > 1 $$$$ CHEMBL592057 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 10.0194 -20.0625 0.0000 C 0 0 10.0182 -20.8898 0.0000 C 0 0 10.7331 -21.3027 0.0000 C 0 0 11.4495 -20.8894 0.0000 C 0 0 11.4466 -20.0588 0.0000 C 0 0 10.7313 -19.6497 0.0000 C 0 0 12.1646 -21.3007 0.0000 C 0 0 12.8784 -20.8871 0.0000 O 0 0 13.5936 -21.2985 0.0000 C 0 0 13.5902 -22.1219 0.0000 C 0 0 14.3045 -22.5332 0.0000 C 0 0 14.3005 -20.8827 0.0000 C 0 0 15.0153 -21.2903 0.0000 C 0 0 15.0164 -22.1210 0.0000 C 0 0 15.7324 -22.5331 0.0000 N 0 0 16.4518 -22.1191 0.0000 C 0 0 16.4507 -21.2884 0.0000 C 0 0 15.7302 -20.8717 0.0000 C 0 0 15.7280 -20.0467 0.0000 C 0 0 17.1663 -22.5316 0.0000 O 0 0 9.3034 -21.3018 0.0000 C 0 0 8.5893 -20.8887 0.0000 N 0 0 9.3028 -22.1268 0.0000 O 0 0 8.5026 -20.0703 0.0000 C 0 0 7.6958 -19.8981 0.0000 C 0 0 7.2827 -20.6123 0.0000 C 0 0 7.8343 -21.2258 0.0000 C 0 0 13 14 1 0 6 1 1 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 18 19 1 0 4 5 1 0 16 20 2 0 9 10 2 0 2 21 1 0 2 3 1 0 21 22 1 0 10 11 1 0 21 23 2 0 22 24 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 22 1 0 M END > CHEMBL592057 > 1 $$$$ CHEMBL17423 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 -3.8237 -8.7869 0.0000 C 0 0 -3.8237 -9.6134 0.0000 C 0 0 -3.1103 -10.0226 0.0000 C 0 0 -3.1103 -8.3695 0.0000 N 0 0 -2.3970 -8.7869 0.0000 C 0 0 -2.3986 -9.6116 0.0000 C 0 0 -1.6864 -10.0236 0.0000 C 0 0 -0.9720 -9.6119 0.0000 C 0 0 -0.9744 -8.7841 0.0000 C 0 0 -1.6873 -8.3760 0.0000 C 0 0 -0.2559 -10.0245 0.0000 N 0 0 -0.2557 -10.8498 0.0000 C 0 0 0.4564 -11.2623 0.0000 C 0 0 1.1743 -10.8518 0.0000 N 0 0 1.1754 -10.0244 0.0000 C 0 0 0.4587 -9.6073 0.0000 C 0 0 1.8889 -11.2671 0.0000 C 0 0 1.8866 -12.0936 0.0000 O 0 0 2.6058 -10.8558 0.0000 C 0 0 3.3172 -11.2736 0.0000 C 0 0 4.0337 -10.8630 0.0000 C 0 0 4.0364 -10.0356 0.0000 C 0 0 3.3168 -9.6205 0.0000 C 0 0 2.6033 -10.0335 0.0000 C 0 0 4.7528 -9.6233 0.0000 O 0 0 4.7540 -8.7968 0.0000 C 0 0 4.7481 -11.2786 0.0000 O 0 0 4.7454 -12.1051 0.0000 C 0 0 -4.5406 -8.3758 0.0000 O 0 0 2 3 1 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 7 8 2 0 14 17 1 0 3 6 1 0 17 18 2 0 8 9 1 0 17 19 1 0 5 4 1 0 19 20 2 0 9 10 2 0 20 21 1 0 10 5 1 0 21 22 2 0 22 23 1 0 8 11 1 0 23 24 2 0 24 19 1 0 11 12 1 0 22 25 1 0 1 2 1 0 25 26 1 0 5 6 2 0 21 27 1 0 1 4 1 0 27 28 1 0 6 7 1 0 1 29 2 0 M END > CHEMBL17423 > 0 $$$$ CHEMBL592059 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 -1.7431 2.1667 0.0000 C 0 0 -1.7443 1.3393 0.0000 C 0 0 -1.0294 0.9265 0.0000 C 0 0 -0.3130 1.3398 0.0000 C 0 0 -0.3159 2.1703 0.0000 C 0 0 -1.0312 2.5795 0.0000 C 0 0 0.4021 0.9284 0.0000 C 0 0 1.1159 1.3421 0.0000 O 0 0 1.8311 0.9307 0.0000 C 0 0 1.8277 0.1072 0.0000 C 0 0 2.5420 -0.3041 0.0000 C 0 0 2.5380 1.3465 0.0000 C 0 0 3.2528 0.9389 0.0000 C 0 0 3.2539 0.1082 0.0000 C 0 0 3.9699 -0.3039 0.0000 N 0 0 4.6893 0.1101 0.0000 C 0 0 4.6882 0.9408 0.0000 C 0 0 3.9677 1.3575 0.0000 C 0 0 5.4038 -0.3025 0.0000 O 0 0 -2.4591 0.9274 0.0000 C 0 0 -3.1732 1.3405 0.0000 N 0 0 -2.4597 0.1024 0.0000 O 0 0 -3.1731 2.1697 0.0000 C 0 0 -3.8832 2.5827 0.0000 C 0 0 -4.6004 2.1742 0.0000 N 0 0 -4.6030 1.3483 0.0000 C 0 0 -3.8884 0.9307 0.0000 C 0 0 -5.3130 2.5900 0.0000 C 0 0 1 2 2 0 4 7 1 0 3 4 2 0 7 8 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 8 9 1 0 4 5 1 0 16 19 2 0 9 10 2 0 2 20 1 0 2 3 1 0 20 21 1 0 10 11 1 0 20 22 2 0 21 23 1 0 11 14 2 0 5 6 2 0 13 12 2 0 12 9 1 0 13 14 1 0 21 27 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 6 1 1 0 25 28 1 0 M END > CHEMBL592059 > 1 $$$$ CHEMBL591501 SciTegic12291823182D 34 37 0 0 0 0 999 V2000 0.4977 -1.2037 0.0000 C 0 0 -0.2167 -1.6162 0.0000 C 0 0 -0.9312 -1.2037 0.0000 N 0 0 0.4977 -0.3787 0.0000 N 0 0 1.2122 -1.6162 0.0000 O 0 0 -0.2167 -2.4412 0.0000 N 0 0 -0.2167 0.0338 0.0000 C 0 0 -0.9312 -0.3787 0.0000 C 0 0 -1.6457 0.0338 0.0000 C 0 0 -1.6457 0.8588 0.0000 N 0 0 -0.9312 1.2713 0.0000 C 0 0 -0.2167 0.8588 0.0000 C 0 0 1.2122 0.0338 0.0000 C 0 0 1.9267 -0.3787 0.0000 C 0 0 2.6412 0.0338 0.0000 O 0 0 3.3556 -0.3787 0.0000 C 0 0 4.0701 0.0338 0.0000 C 0 0 -0.9312 2.0963 0.0000 C 0 0 -1.6457 2.5088 0.0000 C 0 0 -1.6457 3.3338 0.0000 N 0 0 -0.9312 3.7463 0.0000 C 0 0 -0.2167 3.3338 0.0000 C 0 0 -0.2167 2.5088 0.0000 C 0 0 -0.9312 4.5713 0.0000 O 0 0 -0.2167 4.9838 0.0000 C 0 0 0.4977 -2.8537 0.0000 C 0 0 0.4977 -3.6787 0.0000 C 0 0 -0.2167 -4.0912 0.0000 N 0 0 -0.9312 -3.6787 0.0000 C 0 0 -0.9312 -2.8537 0.0000 C 0 0 -0.2167 -4.9162 0.0000 C 0 0 -0.9312 -5.3287 0.0000 C 0 0 -0.9312 -6.1537 0.0000 O 0 0 4.7846 -0.3787 0.0000 C 0 0 7 8 2 0 16 17 1 0 3 8 1 0 8 9 1 0 11 18 1 0 7 4 1 0 18 19 2 0 9 10 2 0 19 20 1 0 20 21 2 0 10 11 1 0 21 22 1 0 1 5 2 0 22 23 2 0 23 18 1 0 11 12 2 0 21 24 1 0 12 7 1 0 24 25 1 0 6 26 1 0 1 2 1 0 4 13 1 0 2 6 1 0 13 14 1 0 1 4 1 0 6 30 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 14 15 1 0 28 31 1 0 2 3 2 0 31 32 1 0 15 16 1 0 32 33 1 0 17 34 1 0 M END > CHEMBL591501 > 1 $$$$ CHEMBL1086110 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 0.3908 1.6043 0.0000 C 0 0 0.7807 0.8773 0.0000 C 0 0 -0.4338 1.6301 0.0000 N 0 0 0.3461 0.1760 0.0000 N 0 0 -0.8685 0.9288 0.0000 C 0 0 -0.4785 0.2018 0.0000 C 0 0 -1.7377 -0.4737 0.0000 C 0 0 -0.9131 -0.4994 0.0000 N 0 0 -2.1277 0.2533 0.0000 C 0 0 -1.6931 0.9546 0.0000 C 0 0 0.8787 -0.4540 0.0000 C 0 0 1.6425 -0.1421 0.0000 N 0 0 1.5820 0.6806 0.0000 C 0 0 0.8254 2.3055 0.0000 C 0 0 2.2120 1.2133 0.0000 C 0 0 0.6821 -1.2552 0.0000 C 0 0 1.2777 -1.8261 0.0000 C 0 0 1.0810 -2.6273 0.0000 C 0 0 -2.1723 -1.1749 0.0000 O 0 0 -1.7823 -1.9019 0.0000 C 0 0 1 2 1 0 2 4 1 0 13 2 2 0 1 3 2 0 5 3 1 0 11 4 1 0 5 6 1 0 6 4 1 0 6 8 2 0 7 19 1 0 7 8 1 0 7 9 2 0 10 5 2 0 10 9 1 0 11 12 2 0 11 16 1 0 13 12 1 0 13 15 1 0 1 14 1 0 16 17 1 0 17 18 1 0 20 19 1 0 M END > CHEMBL1086110 > 1 $$$$ CHEMBL1085374 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 16.7569 -17.8208 0.0000 C 0 0 16.7557 -18.6482 0.0000 C 0 0 17.4706 -19.0610 0.0000 N 0 0 17.4688 -17.4080 0.0000 C 0 0 18.1841 -17.8172 0.0000 C 0 0 18.1849 -18.6440 0.0000 C 0 0 19.6105 -17.8102 0.0000 C 0 0 18.8946 -17.4030 0.0000 N 0 0 20.2311 -19.1959 0.0000 C 0 0 19.6152 -18.6402 0.0000 C 0 0 18.8965 -19.0555 0.0000 N 0 0 19.0709 -19.8664 0.0000 C 0 0 19.8967 -19.9510 0.0000 N 0 0 16.0409 -19.0601 0.0000 O 0 0 15.3268 -18.6470 0.0000 C 0 0 18.5204 -20.4809 0.0000 C 0 0 17.6917 -20.4792 0.0000 C 0 0 20.3224 -17.3934 0.0000 N 0 0 21.0542 -19.1958 0.0000 C 0 0 21.0394 -17.8015 0.0000 S 0 0 21.7513 -17.3847 0.0000 C 0 0 20.6208 -18.5125 0.0000 O 0 0 21.4458 -18.5125 0.0000 O 0 0 17.2776 -21.1928 0.0000 C 0 0 5 6 1 0 9 10 2 0 11 12 1 0 12 13 2 0 13 9 1 0 6 11 1 0 2 14 1 0 3 6 2 0 14 15 1 0 10 7 1 0 12 16 1 0 1 2 2 0 16 17 1 0 7 8 2 0 7 18 1 0 8 5 1 0 9 19 1 0 10 11 1 0 18 20 1 0 5 4 2 0 20 21 1 0 4 1 1 0 20 22 2 0 20 23 2 0 2 3 1 0 17 24 1 0 M END > CHEMBL1085374 > 1 $$$$ CHEMBL1221434 SciTegic12291823182D 34 37 0 0 0 0 999 V2000 3.3352 -26.1209 0.0000 C 0 0 3.3338 -26.9486 0.0000 C 0 0 4.0515 -27.3614 0.0000 N 0 0 4.0495 -25.7081 0.0000 C 0 0 4.7631 -26.1170 0.0000 C 0 0 4.7639 -26.9486 0.0000 C 0 0 5.4860 -27.3616 0.0000 C 0 0 6.2031 -26.9444 0.0000 C 0 0 6.1979 -26.1093 0.0000 C 0 0 5.4798 -25.7003 0.0000 C 0 0 6.9077 -25.6920 0.0000 C 0 0 5.4845 -28.1824 0.0000 C 0 0 4.7710 -28.5959 0.0000 C 0 0 4.7726 -29.4200 0.0000 C 0 0 5.4867 -29.8318 0.0000 C 0 0 6.2054 -29.4128 0.0000 C 0 0 6.2002 -28.5901 0.0000 C 0 0 7.6277 -26.0997 0.0000 O 0 0 8.3374 -25.6824 0.0000 C 0 0 9.0555 -26.0929 0.0000 C 0 0 9.7648 -25.6763 0.0000 C 0 0 9.7597 -24.8504 0.0000 C 0 0 9.0389 -24.4428 0.0000 C 0 0 8.3283 -24.8619 0.0000 C 0 0 6.9206 -29.8209 0.0000 O 0 0 6.9257 -30.6460 0.0000 C 0 0 7.6409 -31.0540 0.0000 F 0 0 6.2157 -31.0628 0.0000 F 0 0 10.4735 -24.4320 0.0000 C 0 0 11.1895 -24.8387 0.0000 C 0 0 11.8987 -24.4250 0.0000 C 0 0 12.6192 -24.8316 0.0000 C 0 0 11.8966 -23.6000 0.0000 O 0 0 11.8986 -25.2455 0.0000 C 0 0 16 17 2 0 17 12 1 0 7 12 1 0 5 4 2 0 11 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 19 20 2 0 9 10 2 0 20 21 1 0 10 5 1 0 21 22 2 0 22 23 1 0 9 11 1 0 23 24 2 0 24 19 1 0 2 3 1 0 16 25 1 0 5 6 1 0 25 26 1 0 12 13 2 0 26 27 1 0 3 6 2 0 26 28 1 0 13 14 1 0 22 29 1 0 6 7 1 0 29 30 1 0 14 15 2 0 30 31 1 0 1 2 2 0 31 32 1 0 15 16 1 0 31 33 1 0 7 8 2 0 31 34 1 0 M END > CHEMBL1221434 > 0 $$$$ CHEMBL1641615 SciTegic12291823182D 25 29 0 0 0 0 999 V2000 8.4168 0.6467 0.0000 C 0 0 8.4156 -0.1817 0.0000 C 0 0 9.1314 -0.5951 0.0000 C 0 0 9.1296 1.0599 0.0000 C 0 0 9.8457 0.6503 0.0000 C 0 0 9.8465 -0.1775 0.0000 C 0 0 10.5627 -0.5890 0.0000 N 0 0 11.2785 -0.1737 0.0000 C 0 0 11.8786 1.2179 0.0000 N 0 0 11.5363 1.9655 0.0000 C 0 0 10.7196 1.8709 0.0000 N 0 0 10.5571 1.0650 0.0000 C 0 0 11.2734 0.6613 0.0000 N 0 0 11.9417 2.6852 0.0000 C 0 0 11.9956 -0.5838 0.0000 S 0 0 12.7092 -0.1679 0.0000 C 0 0 13.4262 -0.5780 0.0000 C 0 0 13.5169 -1.4024 0.0000 N 0 0 14.1804 -0.2422 0.0000 N 0 0 14.7355 -0.8538 0.0000 C 0 0 14.3251 -1.5659 0.0000 C 0 0 14.7364 -2.2752 0.0000 C 0 0 15.5581 -2.2738 0.0000 C 0 0 15.9667 -1.5569 0.0000 C 0 0 15.5530 -0.8505 0.0000 C 0 0 5 6 1 0 9 10 2 0 11 12 2 0 13 9 1 0 3 6 2 0 10 14 1 0 6 7 1 0 8 15 1 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 1 0 20 19 1 0 8 13 1 0 18 21 1 0 12 5 1 0 17 18 1 0 19 17 2 0 12 13 1 0 5 4 2 0 20 21 2 0 4 1 1 0 21 22 1 0 10 11 1 0 22 23 2 0 23 24 1 0 2 3 1 0 24 25 2 0 25 20 1 0 M END > CHEMBL1641615 > 1 $$$$ CHEMBL1642568 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 -3.3643 -27.4280 0.0000 C 0 0 -3.3655 -28.2554 0.0000 C 0 0 -2.6506 -28.6684 0.0000 C 0 0 -2.6524 -27.0152 0.0000 C 0 0 -1.9369 -27.4243 0.0000 C 0 0 -1.9361 -28.2513 0.0000 C 0 0 -1.2207 -28.6623 0.0000 N 0 0 -0.5057 -28.2475 0.0000 C 0 0 0.0937 -26.8574 0.0000 N 0 0 -0.2481 -26.1105 0.0000 C 0 0 -1.0641 -26.2050 0.0000 C 0 0 -1.2264 -27.0102 0.0000 C 0 0 -0.5108 -27.4133 0.0000 N 0 0 0.1568 -25.3917 0.0000 C 0 0 0.2106 -28.6572 0.0000 C 0 0 0.9234 -28.2416 0.0000 C 0 0 1.6397 -28.6513 0.0000 C 0 0 1.7302 -29.4749 0.0000 N 0 0 2.3931 -28.3159 0.0000 N 0 0 2.9473 -28.9270 0.0000 C 0 0 2.5376 -29.6381 0.0000 C 0 0 1.1211 -30.0314 0.0000 C 0 0 3.7693 -28.9256 0.0000 C 0 0 4.1819 -29.6415 0.0000 C 0 0 5.0062 -29.6411 0.0000 C 0 0 5.4190 -28.9257 0.0000 C 0 0 5.0014 -28.2091 0.0000 C 0 0 4.1785 -28.2129 0.0000 C 0 0 -4.0790 -27.0156 0.0000 C 0 0 3 6 2 0 10 14 1 0 6 7 1 0 8 15 1 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 1 0 20 19 1 0 8 13 1 0 18 21 1 0 12 5 1 0 17 18 1 0 19 17 2 0 12 13 1 0 5 4 2 0 20 21 2 0 4 1 1 0 18 22 1 0 10 11 1 0 23 24 2 0 2 3 1 0 24 25 1 0 5 6 1 0 25 26 2 0 9 10 2 0 26 27 1 0 11 12 2 0 27 28 2 0 28 23 1 0 20 23 1 0 13 9 1 0 1 29 1 0 M END > CHEMBL1642568 > 1 $$$$ CHEMBL1683806 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 1.6018 -7.3934 0.0000 C 0 0 1.6008 -8.2205 0.0000 C 0 0 2.3151 -8.6334 0.0000 C 0 0 3.0308 -8.2201 0.0000 C 0 0 3.0282 -7.3900 0.0000 C 0 0 2.3134 -6.9807 0.0000 C 0 0 2.3149 -9.4583 0.0000 C 0 0 2.3110 -6.1557 0.0000 S 0 0 3.0244 -5.7413 0.0000 N 0 0 1.5098 -6.3622 0.0000 O 0 0 1.8912 -5.4361 0.0000 O 0 0 3.7399 -6.1517 0.0000 N 0 0 4.4531 -5.7373 0.0000 C 0 0 5.1688 -6.1477 0.0000 C 0 0 4.4509 -4.9123 0.0000 C 0 0 5.1670 -6.9701 0.0000 C 0 0 5.8817 -7.3806 0.0000 C 0 0 5.8758 -5.7302 0.0000 C 0 0 6.5910 -6.1368 0.0000 C 0 0 6.5967 -6.9655 0.0000 C 0 0 7.3867 -7.2163 0.0000 N 0 0 7.8694 -6.5425 0.0000 C 0 0 7.3776 -5.8754 0.0000 C 0 0 8.6943 -6.5368 0.0000 O 0 0 7.1600 -5.0742 0.0000 C 0 0 8.0860 -5.4556 0.0000 C 0 0 12 13 2 0 1 2 2 0 13 14 1 0 3 7 1 0 13 15 1 0 3 4 2 0 14 16 2 0 6 8 1 0 16 17 1 0 17 20 2 0 19 18 2 0 18 14 1 0 19 20 1 0 8 9 1 0 4 5 1 0 8 10 2 0 2 3 1 0 8 11 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 19 1 0 5 6 2 0 22 24 2 0 9 12 1 0 23 25 1 0 6 1 1 0 23 26 1 0 M END > CHEMBL1683806 > 1 $$$$ CHEMBL19449 SciTegic12291823182D 17 18 0 0 0 0 999 V2000 -5.1708 -19.1000 0.0000 C 0 0 -5.1708 -19.9250 0.0000 C 0 0 -4.4588 -20.3333 0.0000 C 0 0 -4.4588 -18.6833 0.0000 C 0 0 -3.7468 -19.1000 0.0000 N 0 0 -3.7423 -19.9214 0.0000 C 0 0 -2.9597 -20.1710 0.0000 C 0 0 -2.4804 -19.5038 0.0000 C 0 0 -2.9670 -18.8419 0.0000 N 0 0 -2.7005 -20.9542 0.0000 C 0 0 -3.2491 -21.5703 0.0000 O 0 0 -1.8926 -21.1214 0.0000 C 0 0 -1.6334 -21.9046 0.0000 C 0 0 -1.3439 -20.5053 0.0000 C 0 0 -1.6554 -19.4992 0.0000 C 0 0 -1.2390 -20.2114 0.0000 C 0 0 -1.2469 -18.7825 0.0000 C 0 0 7 8 1 0 8 9 2 0 9 5 1 0 5 4 1 0 7 10 1 0 5 6 1 0 10 11 2 0 10 12 1 0 1 2 1 0 12 13 1 0 1 4 2 0 12 14 1 0 2 3 2 0 8 15 1 0 3 6 1 0 15 16 1 0 6 7 2 0 15 17 1 0 M END > CHEMBL19449 > 0 $$$$ CHEMBL1779335 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 6.8962 -2.7042 0.0000 C 0 0 6.8878 -4.0335 0.0000 N 0 0 7.3754 -3.3750 0.0000 C 0 0 6.1087 -3.7750 0.0000 N 0 0 6.1128 -2.9542 0.0000 C 0 0 5.3961 -4.1960 0.0000 C 0 0 5.3961 -2.5459 0.0000 C 0 0 8.2004 -3.3792 0.0000 C 0 0 4.6877 -3.7750 0.0000 C 0 0 4.6877 -2.9500 0.0000 C 0 0 8.6172 -2.6667 0.0000 C 0 0 8.6089 -4.0960 0.0000 C 0 0 7.2858 -1.9765 0.0000 C 0 0 8.1113 -1.9475 0.0000 N 0 0 8.4968 -1.2220 0.0000 N 0 0 8.0612 -0.5210 0.0000 C 0 0 7.2356 -0.5500 0.0000 C 0 0 6.8457 -1.2802 0.0000 C 0 0 6.0212 -1.3103 0.0000 C 0 0 8.4493 0.2070 0.0000 O 0 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 13 1 0 7 5 1 0 18 19 1 0 8 3 1 0 16 20 2 0 M END > CHEMBL1779335 > 0 $$$$ CHEMBL1779425 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 11.1551 0.3917 0.0000 C 0 0 11.1467 -0.9376 0.0000 N 0 0 11.6342 -0.2792 0.0000 C 0 0 10.3675 -0.6793 0.0000 N 0 0 10.3716 0.1417 0.0000 C 0 0 9.6549 -1.1001 0.0000 C 0 0 9.6549 0.5500 0.0000 C 0 0 12.4593 -0.2833 0.0000 C 0 0 8.9465 -0.6793 0.0000 C 0 0 8.9465 0.1458 0.0000 C 0 0 12.8760 0.4292 0.0000 C 0 0 12.8677 -1.0001 0.0000 C 0 0 11.4196 1.1735 0.0000 C 0 0 12.2291 1.3380 0.0000 N 0 0 12.4900 2.1169 0.0000 N 0 0 11.9450 2.7368 0.0000 C 0 0 11.1355 2.5723 0.0000 C 0 0 10.8710 1.7880 0.0000 C 0 0 1 0 0 0 10.0627 1.6227 0.0000 C 0 0 12.2081 3.5188 0.0000 O 0 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 13 1 0 7 5 1 0 18 19 1 6 8 3 1 0 16 20 2 0 M END > CHEMBL1779425 > 1 $$$$ CHEMBL1779426 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 16.9599 0.0458 0.0000 C 0 0 16.9516 -1.2834 0.0000 N 0 0 17.4391 -0.6251 0.0000 C 0 0 16.1723 -1.0251 0.0000 N 0 0 16.1765 -0.2042 0.0000 C 0 0 15.4598 -1.4459 0.0000 C 0 0 15.4598 0.2042 0.0000 C 0 0 18.2642 -0.6293 0.0000 C 0 0 14.7514 -1.0251 0.0000 C 0 0 14.7514 -0.2000 0.0000 C 0 0 18.6810 0.0833 0.0000 C 0 0 18.6726 -1.3459 0.0000 C 0 0 17.2245 0.8277 0.0000 C 0 0 18.0340 0.9921 0.0000 N 0 0 18.2949 1.7711 0.0000 N 0 0 17.7499 2.3909 0.0000 C 0 0 16.9404 2.2265 0.0000 C 0 0 16.6759 1.4422 0.0000 C 0 0 2 0 0 0 15.8676 1.2768 0.0000 C 0 0 18.0130 3.1729 0.0000 O 0 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 13 1 0 7 5 1 0 18 19 1 1 8 3 1 0 16 20 2 0 M END > CHEMBL1779426 > 0 $$$$ CHEMBL1779427 SciTegic12291823182D 19 21 0 0 0 0 999 V2000 -1.8960 -6.6717 0.0000 C 0 0 -1.9044 -8.0010 0.0000 N 0 0 -1.4169 -7.3426 0.0000 C 0 0 -2.6836 -7.7427 0.0000 N 0 0 -2.6795 -6.9217 0.0000 C 0 0 -3.3962 -8.1636 0.0000 C 0 0 -3.3962 -6.5133 0.0000 C 0 0 -0.5918 -7.3467 0.0000 C 0 0 -4.1047 -7.7427 0.0000 C 0 0 -4.1047 -6.9176 0.0000 C 0 0 -0.1750 -6.6342 0.0000 C 0 0 -0.1833 -8.0635 0.0000 C 0 0 -1.6315 -5.8899 0.0000 C 0 0 -0.8219 -5.7253 0.0000 N 0 0 -0.5611 -4.9464 0.0000 N 0 0 -1.1060 -4.3265 0.0000 C 0 0 -1.9156 -4.4910 0.0000 C 0 0 -2.1801 -5.2753 0.0000 C 0 0 -0.8429 -3.5445 0.0000 O 0 0 8 3 1 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 13 1 0 7 5 1 0 16 19 2 0 M END > CHEMBL1779427 > 0 $$$$ CHEMBL1777830 SciTegic12291823182D 19 21 0 0 0 0 999 V2000 4.3754 -6.9382 0.0000 C 0 0 4.3671 -8.2676 0.0000 N 0 0 4.8547 -7.6091 0.0000 C 0 0 3.5879 -8.0091 0.0000 N 0 0 3.5921 -7.1883 0.0000 C 0 0 2.8753 -8.4301 0.0000 C 0 0 2.8753 -6.7799 0.0000 C 0 0 5.6798 -7.6133 0.0000 C 0 0 2.1669 -8.0091 0.0000 C 0 0 2.1669 -7.1841 0.0000 C 0 0 6.0965 -6.9007 0.0000 C 0 0 6.0882 -8.3301 0.0000 C 0 0 4.6401 -6.1564 0.0000 C 0 0 5.4496 -5.9919 0.0000 N 0 0 5.7105 -5.2130 0.0000 N 0 0 5.1655 -4.5931 0.0000 C 0 0 4.3559 -4.7575 0.0000 C 0 0 4.0915 -5.5418 0.0000 C 0 0 5.4286 -3.8111 0.0000 O 0 0 8 3 1 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 1 13 1 0 7 5 1 0 16 19 2 0 M END > CHEMBL1777830 > 0 $$$$ CHEMBL1779428 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 11.2136 -6.9799 0.0000 C 0 0 11.2053 -8.3091 0.0000 N 0 0 11.6928 -7.6507 0.0000 C 0 0 10.4260 -8.0508 0.0000 N 0 0 10.4302 -7.2299 0.0000 C 0 0 9.7134 -8.4716 0.0000 C 0 0 9.7134 -6.8214 0.0000 C 0 0 12.5179 -7.6549 0.0000 C 0 0 9.0050 -8.0508 0.0000 C 0 0 9.0050 -7.2257 0.0000 C 0 0 12.9345 -6.9424 0.0000 C 0 0 12.9262 -8.3716 0.0000 C 0 0 11.4782 -6.1980 0.0000 C 0 0 12.2877 -6.0336 0.0000 N 0 0 12.5486 -5.2546 0.0000 N 0 0 12.0035 -4.6347 0.0000 C 0 0 11.1941 -4.7992 0.0000 C 0 0 10.9295 -5.5834 0.0000 C 0 0 10.1213 -5.7488 0.0000 C 0 0 12.2667 -3.8528 0.0000 O 0 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 1 13 1 0 7 5 1 0 18 19 1 0 8 3 1 0 16 20 2 0 M END > CHEMBL1779428 > 0 $$$$ CHEMBL1779429 SciTegic12291823182D 18 21 0 0 0 0 999 V2000 -1.8108 -15.5171 0.0000 N 0 0 -2.5910 -15.2584 0.0000 N 0 0 -2.5868 -14.4365 0.0000 C 0 0 -3.3045 -15.6798 0.0000 C 0 0 -3.3045 -14.0275 0.0000 C 0 0 -4.0138 -15.2584 0.0000 C 0 0 -4.0138 -14.4323 0.0000 C 0 0 -1.8025 -14.1861 0.0000 C 0 0 -1.3226 -14.8579 0.0000 C 0 0 -0.5055 -14.7786 0.0000 C 0 0 -0.1618 -14.0287 0.0000 C 0 0 -1.4652 -13.4351 0.0000 C 0 0 -0.6429 -13.3580 0.0000 C 0 0 -0.3004 -12.6115 0.0000 C 0 0 -0.7761 -11.9371 0.0000 C 0 0 -1.5984 -12.0142 0.0000 N 0 0 -1.9450 -12.7657 0.0000 N 0 0 -0.4306 -11.1866 0.0000 O 0 0 1 9 2 0 2 3 1 0 3 8 2 0 8 12 1 0 9 10 1 0 10 11 1 0 11 13 1 0 12 13 1 0 4 2 1 0 5 3 1 0 6 7 1 0 7 5 2 0 2 1 1 0 4 6 2 0 12 17 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 8 9 1 0 15 18 2 0 M END > CHEMBL1779429 > 1 $$$$ CHEMBL1779430 SciTegic12291823182D 25 29 0 0 0 0 999 V2000 3.6836 -16.1613 0.0000 N 0 0 2.9035 -15.9025 0.0000 N 0 0 2.9077 -15.0808 0.0000 C 0 0 2.1902 -16.3240 0.0000 C 0 0 2.1902 -14.6719 0.0000 C 0 0 1.4810 -15.9025 0.0000 C 0 0 1.4810 -15.0766 0.0000 C 0 0 3.6920 -14.8304 0.0000 C 0 0 4.1717 -15.5021 0.0000 C 0 0 4.9887 -15.4229 0.0000 C 0 0 5.3323 -14.6730 0.0000 C 0 0 4.0291 -14.0797 0.0000 C 0 0 4.8514 -14.0026 0.0000 C 0 0 5.1937 -13.2560 0.0000 C 0 0 4.7182 -12.5819 0.0000 C 0 0 3.8960 -12.6589 0.0000 N 0 0 3.5495 -13.4102 0.0000 N 0 0 5.0636 -11.8315 0.0000 O 0 0 3.4188 -11.9847 0.0000 C 0 0 3.7639 -11.2343 0.0000 C 0 0 4.5838 -11.1621 0.0000 C 0 0 4.9290 -10.4125 0.0000 C 0 0 4.4515 -9.7374 0.0000 C 0 0 3.6251 -9.8167 0.0000 C 0 0 3.2837 -10.5665 0.0000 C 0 0 11 13 1 0 12 13 1 0 4 2 1 0 5 3 1 0 6 7 1 0 7 5 2 0 2 1 1 0 4 6 2 0 12 17 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 8 9 1 0 15 18 2 0 16 19 1 0 1 9 2 0 19 20 1 0 2 3 1 0 20 21 2 0 3 8 2 0 21 22 1 0 8 12 1 0 22 23 2 0 9 10 1 0 23 24 1 0 10 11 1 0 24 25 2 0 25 20 1 0 M END > CHEMBL1779430 > 0 $$$$ CHEMBL1779431 SciTegic12291823182D 19 22 0 0 0 0 999 V2000 10.4189 -15.7473 0.0000 N 0 0 9.6386 -15.4886 0.0000 N 0 0 9.6428 -14.6666 0.0000 C 0 0 8.9251 -15.9100 0.0000 C 0 0 8.9251 -14.2577 0.0000 C 0 0 8.2158 -15.4886 0.0000 C 0 0 8.2158 -14.6625 0.0000 C 0 0 10.4273 -14.4162 0.0000 C 0 0 10.9071 -15.0881 0.0000 C 0 0 11.7243 -15.0088 0.0000 C 0 0 12.0680 -14.2589 0.0000 C 0 0 10.7645 -13.6652 0.0000 C 0 0 11.5869 -13.5881 0.0000 C 0 0 11.9294 -12.8416 0.0000 C 0 0 11.4537 -12.1671 0.0000 C 0 0 10.6313 -12.2442 0.0000 N 0 0 10.2848 -12.9958 0.0000 N 0 0 11.7992 -11.4167 0.0000 O 0 0 12.4093 -13.5859 0.0000 C 0 0 1 9 2 0 2 3 1 0 3 8 2 0 8 12 1 0 9 10 1 0 10 11 1 0 11 13 1 0 12 13 1 0 4 2 1 0 5 3 1 0 6 7 1 0 7 5 2 0 2 1 1 0 4 6 2 0 12 17 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 8 9 1 0 15 18 2 0 13 19 1 0 M END > CHEMBL1779431 > 0 $$$$ CHEMBL1779432 SciTegic12291823182D 26 30 0 0 0 0 999 V2000 16.0345 -16.9190 0.0000 N 0 0 15.2542 -16.6603 0.0000 N 0 0 15.2584 -15.8384 0.0000 C 0 0 14.5407 -17.0817 0.0000 C 0 0 14.5407 -15.4294 0.0000 C 0 0 13.8314 -16.6603 0.0000 C 0 0 13.8314 -15.8342 0.0000 C 0 0 16.0428 -15.5881 0.0000 C 0 0 16.5226 -16.2598 0.0000 C 0 0 17.3398 -16.1806 0.0000 C 0 0 17.6834 -15.4306 0.0000 C 0 0 16.3801 -14.8370 0.0000 C 0 0 17.2025 -14.7599 0.0000 C 0 0 17.5449 -14.0134 0.0000 C 0 0 17.0692 -13.3390 0.0000 C 0 0 16.2469 -13.4161 0.0000 N 0 0 15.9003 -14.1676 0.0000 N 0 0 17.4148 -12.5885 0.0000 O 0 0 15.7695 -12.7419 0.0000 C 0 0 16.1148 -11.9913 0.0000 C 0 0 16.9348 -11.9191 0.0000 C 0 0 17.2800 -11.1694 0.0000 C 0 0 16.8025 -10.4942 0.0000 C 0 0 15.9759 -10.5735 0.0000 C 0 0 15.6344 -11.3234 0.0000 C 0 0 18.0247 -14.7577 0.0000 C 0 0 12 13 1 0 4 2 1 0 5 3 1 0 6 7 1 0 7 5 2 0 2 1 1 0 4 6 2 0 12 17 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 8 9 1 0 15 18 2 0 16 19 1 0 1 9 2 0 19 20 1 0 2 3 1 0 20 21 2 0 3 8 2 0 21 22 1 0 8 12 1 0 22 23 2 0 9 10 1 0 23 24 1 0 10 11 1 0 24 25 2 0 25 20 1 0 11 13 1 0 13 26 1 0 M END > CHEMBL1779432 > 1 $$$$ CHEMBL1779433 SciTegic12291823182D 18 21 0 0 0 0 999 V2000 -1.7606 -23.6601 0.0000 N 0 0 -2.5408 -23.4014 0.0000 N 0 0 -2.5366 -22.5795 0.0000 C 0 0 -3.2543 -23.8229 0.0000 C 0 0 -3.2543 -22.1707 0.0000 C 0 0 -3.9635 -23.4014 0.0000 C 0 0 -3.9635 -22.5753 0.0000 C 0 0 -1.7523 -22.3292 0.0000 C 0 0 -1.2725 -23.0009 0.0000 C 0 0 -0.4554 -22.9217 0.0000 C 0 0 -0.1117 -22.1718 0.0000 C 0 0 -1.4151 -21.5783 0.0000 C 0 0 -0.5928 -21.5012 0.0000 C 0 0 -0.2503 -20.7546 0.0000 C 0 0 -0.7259 -20.0804 0.0000 C 0 0 -1.5482 -20.1574 0.0000 N 0 0 -1.8948 -20.9088 0.0000 N 0 0 -0.3805 -19.3300 0.0000 O 0 0 1 9 2 0 2 3 1 0 3 8 2 0 8 12 1 0 9 10 1 0 10 11 1 0 11 13 1 0 12 13 1 0 4 2 1 0 5 3 1 0 6 7 1 0 7 5 2 0 2 1 1 0 4 6 2 0 12 17 2 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 8 9 1 0 15 18 2 0 M END > CHEMBL1779433 > 1 $$$$ CHEMBL1779434 SciTegic12291823182D 25 29 0 0 0 0 999 V2000 6.1438 -24.8632 0.0000 N 0 0 5.3638 -24.6046 0.0000 N 0 0 5.3680 -23.7829 0.0000 C 0 0 4.6506 -25.0258 0.0000 C 0 0 4.6506 -23.3741 0.0000 C 0 0 3.9416 -24.6046 0.0000 C 0 0 3.9416 -23.7788 0.0000 C 0 0 6.1522 -23.5326 0.0000 C 0 0 6.6318 -24.2042 0.0000 C 0 0 7.4487 -24.1250 0.0000 C 0 0 7.7922 -23.3753 0.0000 C 0 0 6.4894 -22.7819 0.0000 C 0 0 7.3115 -22.7048 0.0000 C 0 0 7.6538 -21.9586 0.0000 C 0 0 7.1782 -21.2844 0.0000 C 0 0 6.3562 -21.3615 0.0000 N 0 0 6.0097 -22.1127 0.0000 N 0 0 7.5237 -20.5342 0.0000 O 0 0 5.8790 -20.6874 0.0000 C 0 0 6.2241 -19.9371 0.0000 C 0 0 7.0439 -19.8649 0.0000 C 0 0 7.3889 -19.1155 0.0000 C 0 0 6.9116 -18.4404 0.0000 C 0 0 6.0853 -18.5198 0.0000 C 0 0 5.7439 -19.2695 0.0000 C 0 0 11 13 1 0 12 13 1 0 4 2 1 0 5 3 1 0 6 7 1 0 7 5 2 0 2 1 1 0 4 6 2 0 12 17 2 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 8 9 1 0 15 18 2 0 16 19 1 0 1 9 2 0 19 20 1 0 2 3 1 0 20 21 2 0 3 8 2 0 21 22 1 0 8 12 1 0 22 23 2 0 9 10 1 0 23 24 1 0 10 11 1 0 24 25 2 0 25 20 1 0 M END > CHEMBL1779434 > 0 $$$$ CHEMBL1779435 SciTegic12291823182D 20 23 0 0 0 0 999 V2000 -1.7542 -1.6417 0.0000 N 0 0 -2.5333 -1.3833 0.0000 N 0 0 -3.2458 -1.8042 0.0000 C 0 0 -3.9542 -1.3833 0.0000 C 0 0 -3.9542 -0.5583 0.0000 C 0 0 -1.8083 -0.2187 0.0000 C 0 0 -1.2667 -0.9833 0.0000 C 0 0 -3.2458 -0.1542 0.0000 C 0 0 -2.5292 -0.5625 0.0000 C 0 0 -3.2545 0.6684 0.0000 C 0 0 -2.5402 1.0842 0.0000 C 0 0 -1.8212 0.6780 0.0000 C 0 0 -1.1139 1.0953 0.0000 N 0 0 -1.1193 1.9205 0.0000 N 0 0 -1.8383 2.3267 0.0000 C 0 0 -2.5519 1.9077 0.0000 C 0 0 -1.8452 3.1516 0.0000 O 0 0 -0.4417 -0.9904 0.0000 C 0 0 -0.0353 -1.7084 0.0000 C 0 0 -0.0231 -0.2795 0.0000 C 0 0 3 2 1 0 8 10 1 0 11 10 1 0 12 6 1 0 11 12 1 0 4 5 1 0 5 8 2 0 2 1 1 0 3 4 2 0 6 7 1 0 11 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 1 7 2 0 15 17 2 0 8 9 1 0 7 18 1 0 2 9 1 0 18 19 1 0 9 6 2 0 18 20 1 0 M END > CHEMBL1779435 > 0 $$$$ CHEMBL1779438 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -0.9251 -8.2928 0.0000 C 0 0 -0.9334 -9.6220 0.0000 N 0 0 -0.4459 -8.9637 0.0000 C 0 0 -1.7127 -9.3637 0.0000 N 0 0 -1.7085 -8.5428 0.0000 C 0 0 -2.4253 -9.7846 0.0000 C 0 0 -2.4253 -8.1343 0.0000 C 0 0 0.3792 -8.9679 0.0000 C 0 0 -3.1337 -9.3637 0.0000 C 0 0 -3.1337 -8.5386 0.0000 C 0 0 0.7959 -8.2553 0.0000 C 0 0 0.7876 -9.6845 0.0000 C 0 0 -0.6605 -7.5109 0.0000 C 0 0 0.1490 -7.3464 0.0000 N 0 0 0.4100 -6.5674 0.0000 N 0 0 -0.1351 -5.9476 0.0000 C 0 0 -0.9446 -6.1120 0.0000 C 0 0 -1.2092 -6.8963 0.0000 C 0 0 0.1280 -5.1656 0.0000 O 0 0 -2.4231 -10.6064 0.0000 O 0 0 -1.7090 -11.0198 0.0000 C 0 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 13 1 0 7 5 1 0 16 19 2 0 8 3 1 0 9 10 1 0 20 21 1 0 6 20 1 0 M END > CHEMBL1779438 > 0 $$$$ CHEMBL1779439 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 5.1549 -8.8136 0.0000 C 0 0 5.1465 -10.1430 0.0000 N 0 0 5.6340 -9.4845 0.0000 C 0 0 4.3673 -9.8846 0.0000 N 0 0 4.3714 -9.0637 0.0000 C 0 0 3.6547 -10.3055 0.0000 C 0 0 3.6547 -8.6553 0.0000 C 0 0 6.4591 -9.4887 0.0000 C 0 0 2.9462 -9.8846 0.0000 C 0 0 2.9462 -9.0595 0.0000 C 0 0 6.8759 -8.7761 0.0000 C 0 0 6.8676 -10.2055 0.0000 C 0 0 5.4194 -8.0317 0.0000 C 0 0 6.2290 -7.8673 0.0000 N 0 0 6.4898 -7.0883 0.0000 N 0 0 5.9449 -6.4684 0.0000 C 0 0 5.1353 -6.6329 0.0000 C 0 0 4.8708 -7.4173 0.0000 C 0 0 6.2080 -5.6864 0.0000 O 0 0 7.2987 -6.9252 0.0000 C 0 0 7.8444 -7.5442 0.0000 C 0 0 7.5771 -8.3244 0.0000 C 0 0 8.1220 -8.9429 0.0000 C 0 0 8.9319 -8.7800 0.0000 C 0 0 9.1938 -7.9931 0.0000 C 0 0 8.6471 -7.3780 0.0000 C 0 0 3.6529 -11.1249 0.0000 O 0 0 4.3670 -11.5384 0.0000 C 0 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 13 1 0 7 5 1 0 16 19 2 0 8 3 1 0 15 20 1 0 9 10 1 0 20 21 1 0 10 7 2 0 21 22 2 0 11 8 1 0 22 23 1 0 12 8 1 0 23 24 2 0 4 2 1 0 24 25 1 0 6 9 2 0 25 26 2 0 26 21 1 0 13 14 2 0 27 28 1 0 6 27 1 0 M END > CHEMBL1779439 > 0 $$$$ CHEMBL1779440 SciTegic12291823182D 19 21 0 0 0 0 999 V2000 14.2143 -8.9554 0.0000 C 0 0 14.2060 -10.2846 0.0000 N 0 0 14.6936 -9.6262 0.0000 C 0 0 13.4267 -10.0263 0.0000 N 0 0 13.4309 -9.2054 0.0000 C 0 0 12.7141 -10.4471 0.0000 C 0 0 12.7141 -8.7969 0.0000 C 0 0 15.5187 -9.6304 0.0000 C 0 0 12.0057 -10.0263 0.0000 C 0 0 12.0057 -9.2012 0.0000 C 0 0 15.9354 -8.9179 0.0000 C 0 0 15.9271 -10.3471 0.0000 C 0 0 14.4790 -8.1735 0.0000 C 0 0 15.2885 -8.0090 0.0000 N 0 0 15.5494 -7.2300 0.0000 N 0 0 15.0043 -6.6102 0.0000 C 0 0 14.1948 -6.7746 0.0000 C 0 0 13.9303 -7.5589 0.0000 C 0 0 15.2675 -5.8282 0.0000 Cl 0 0 8 3 1 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 1 13 1 0 7 5 1 0 16 19 1 0 M END > CHEMBL1779440 > 0 $$$$ CHEMBL1779441 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 -1.2044 -16.6106 0.0000 C 0 0 -1.2127 -17.9399 0.0000 N 0 0 -0.7251 -17.2816 0.0000 C 0 0 -1.9920 -17.6816 0.0000 N 0 0 -1.9878 -16.8606 0.0000 C 0 0 -2.7046 -18.1025 0.0000 C 0 0 -2.7046 -16.4522 0.0000 C 0 0 0.1000 -17.2857 0.0000 C 0 0 -3.4130 -17.6816 0.0000 C 0 0 -3.4130 -16.8565 0.0000 C 0 0 0.5168 -16.5731 0.0000 C 0 0 0.5084 -18.0025 0.0000 C 0 0 -0.9397 -15.8288 0.0000 C 0 0 -0.1302 -15.6642 0.0000 N 0 0 0.1307 -14.8853 0.0000 N 0 0 -0.4144 -14.2653 0.0000 C 0 0 -1.2239 -14.4299 0.0000 C 0 0 -1.4884 -15.2142 0.0000 C 0 0 -0.1512 -13.4833 0.0000 Cl 0 0 -2.2967 -15.3795 0.0000 C 0 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 1 13 1 0 7 5 1 0 16 19 1 0 8 3 1 0 18 20 1 0 M END > CHEMBL1779441 > 0 $$$$ CHEMBL1779442 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 5.9800 -17.1105 0.0000 C 0 0 5.9716 -18.4399 0.0000 N 0 0 6.4591 -17.7815 0.0000 C 0 0 5.1924 -18.1815 0.0000 N 0 0 5.1965 -17.3605 0.0000 C 0 0 4.4798 -18.6024 0.0000 C 0 0 4.4798 -16.9522 0.0000 C 0 0 7.2842 -17.7856 0.0000 C 0 0 3.7713 -18.1815 0.0000 C 0 0 3.7713 -17.3564 0.0000 C 0 0 7.7010 -17.0730 0.0000 C 0 0 7.6927 -18.5024 0.0000 C 0 0 6.2445 -16.3287 0.0000 C 0 0 7.0541 -16.1642 0.0000 N 0 0 7.3149 -15.3853 0.0000 N 0 0 6.7700 -14.7653 0.0000 C 0 0 5.9604 -14.9298 0.0000 C 0 0 5.6959 -15.7141 0.0000 C 0 0 7.0333 -13.9875 0.0000 O 0 0 6.4876 -13.3686 0.0000 C 0 0 9 10 1 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 1 13 1 0 7 5 1 0 8 3 1 0 19 20 1 0 16 19 1 0 M END > CHEMBL1779442 > 0 $$$$ CHEMBL1779444 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 19.1769 -17.0545 0.0000 C 0 0 19.1686 -18.3846 0.0000 N 0 0 19.6564 -17.7258 0.0000 C 0 0 18.3888 -18.1261 0.0000 N 0 0 18.3930 -17.3047 0.0000 C 0 0 17.6757 -18.5472 0.0000 C 0 0 17.6757 -16.8960 0.0000 C 0 0 20.4820 -17.7300 0.0000 C 0 0 16.9669 -18.1261 0.0000 C 0 0 16.9669 -17.3005 0.0000 C 0 0 20.8990 -17.0170 0.0000 C 0 0 20.8907 -18.4471 0.0000 C 0 0 17.6760 -16.0714 0.0000 C 0 0 18.3926 -15.6590 0.0000 N 0 0 18.3927 -14.8341 0.0000 N 0 0 17.6769 -14.4207 0.0000 C 0 0 16.9597 -14.8382 0.0000 C 0 0 16.9632 -15.6616 0.0000 C 0 0 17.6740 -19.3672 0.0000 O 0 0 18.3885 -19.7809 0.0000 C 0 0 17.6756 -13.5951 0.0000 O 0 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 2 3 2 0 13 14 2 0 3 1 1 0 14 15 1 0 4 5 1 0 15 16 1 0 5 1 2 0 16 17 1 0 6 4 1 0 17 18 2 0 18 13 1 0 7 13 1 0 7 5 1 0 8 3 1 0 19 20 1 0 6 19 1 0 9 10 1 0 16 21 2 0 M END > CHEMBL1779444 > 1 $$$$ CHEMBL1779445 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 -0.9341 -23.7445 0.0000 C 0 0 -0.9425 -25.0748 0.0000 N 0 0 -0.4546 -24.4158 0.0000 C 0 0 -1.7222 -24.8161 0.0000 N 0 0 -1.7181 -23.9947 0.0000 C 0 0 -2.4353 -25.2374 0.0000 C 0 0 -2.4353 -23.5860 0.0000 C 0 0 0.3711 -24.4200 0.0000 C 0 0 -3.1443 -24.8161 0.0000 C 0 0 -3.1443 -23.9905 0.0000 C 0 0 0.7881 -23.7069 0.0000 C 0 0 0.7798 -25.1373 0.0000 C 0 0 -2.4350 -22.7614 0.0000 C 0 0 -1.7184 -22.3489 0.0000 N 0 0 -1.7184 -21.5240 0.0000 N 0 0 -2.4341 -21.1106 0.0000 C 0 0 -3.1514 -21.5280 0.0000 C 0 0 -3.1480 -22.3516 0.0000 C 0 0 -2.4371 -26.0574 0.0000 O 0 0 -1.7225 -26.4711 0.0000 C 0 0 -2.4354 -20.2849 0.0000 O 0 0 -1.0032 -21.1113 0.0000 C 0 0 -0.2882 -21.5242 0.0000 C 0 0 -0.2906 -22.3485 0.0000 C 0 0 0.4234 -22.7615 0.0000 C 0 0 1.1396 -22.3487 0.0000 C 0 0 1.1371 -21.5187 0.0000 C 0 0 0.4223 -21.1096 0.0000 C 0 0 13 14 2 0 3 1 1 0 14 15 1 0 4 5 1 0 15 16 1 0 5 1 2 0 16 17 1 0 6 4 1 0 17 18 2 0 18 13 1 0 7 13 1 0 7 5 1 0 8 3 1 0 19 20 1 0 6 19 1 0 9 10 1 0 16 21 2 0 10 7 2 0 15 22 1 0 11 8 1 0 22 23 1 0 12 8 1 0 23 24 2 0 4 2 1 0 24 25 1 0 6 9 2 0 25 26 2 0 26 27 1 0 2 3 2 0 27 28 2 0 28 23 1 0 M END > CHEMBL1779445 > 0 $$$$ CHEMBL1779446 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 7.1804 -23.8053 0.0000 C 0 0 7.1721 -25.1355 0.0000 N 0 0 7.6599 -24.4766 0.0000 C 0 0 6.3923 -24.8769 0.0000 N 0 0 6.3965 -24.0555 0.0000 C 0 0 5.6793 -25.2982 0.0000 C 0 0 5.6793 -23.6469 0.0000 C 0 0 8.4856 -24.4808 0.0000 C 0 0 4.9704 -24.8769 0.0000 C 0 0 4.9704 -24.0513 0.0000 C 0 0 8.9025 -23.7678 0.0000 C 0 0 8.8942 -25.1981 0.0000 C 0 0 5.6796 -22.8223 0.0000 C 0 0 6.3961 -22.4099 0.0000 N 0 0 6.3962 -21.5851 0.0000 N 0 0 5.6805 -21.1717 0.0000 C 0 0 4.9632 -21.5891 0.0000 C 0 0 4.9667 -22.4126 0.0000 C 0 0 5.6776 -26.1181 0.0000 O 0 0 6.3920 -26.5318 0.0000 C 0 0 5.6792 -20.3460 0.0000 O 0 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 2 3 2 0 13 14 2 0 3 1 1 0 14 15 1 0 4 5 1 0 15 16 1 0 5 1 2 0 16 17 1 0 6 4 1 0 17 18 1 0 18 13 1 0 7 13 1 0 7 5 1 0 8 3 1 0 19 20 1 0 6 19 1 0 9 10 1 0 16 21 2 0 M END > CHEMBL1779446 > 0 $$$$ CHEMBL1779447 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 12.9648 -24.1823 0.0000 C 0 0 12.9564 -25.5126 0.0000 N 0 0 13.4443 -24.8537 0.0000 C 0 0 12.1767 -25.2540 0.0000 N 0 0 12.1808 -24.4325 0.0000 C 0 0 11.4636 -25.6752 0.0000 C 0 0 11.4636 -24.0239 0.0000 C 0 0 14.2700 -24.8579 0.0000 C 0 0 10.7546 -25.2540 0.0000 C 0 0 10.7546 -24.4283 0.0000 C 0 0 14.6870 -24.1448 0.0000 C 0 0 14.6787 -25.5752 0.0000 C 0 0 11.4639 -23.1992 0.0000 C 0 0 12.1805 -22.7868 0.0000 N 0 0 12.1805 -21.9619 0.0000 N 0 0 11.4648 -21.5485 0.0000 C 0 0 10.7475 -21.9659 0.0000 C 0 0 10.7509 -22.7895 0.0000 C 0 0 11.4618 -26.4952 0.0000 O 0 0 12.1764 -26.9090 0.0000 C 0 0 11.4635 -20.7228 0.0000 O 0 0 12.8957 -21.5492 0.0000 C 0 0 13.6107 -21.9621 0.0000 C 0 0 13.6083 -22.7864 0.0000 C 0 0 14.3223 -23.1993 0.0000 C 0 0 15.0385 -22.7866 0.0000 C 0 0 15.0360 -21.9566 0.0000 C 0 0 14.3212 -21.5475 0.0000 C 0 0 13 14 2 0 3 1 1 0 14 15 1 0 4 5 1 0 15 16 1 0 5 1 2 0 16 17 1 0 6 4 1 0 17 18 1 0 18 13 1 0 7 13 1 0 7 5 1 0 8 3 1 0 19 20 1 0 6 19 1 0 9 10 1 0 16 21 2 0 10 7 2 0 15 22 1 0 11 8 1 0 22 23 1 0 12 8 1 0 23 24 2 0 4 2 1 0 24 25 1 0 6 9 2 0 25 26 2 0 26 27 1 0 2 3 2 0 27 28 2 0 28 23 1 0 M END > CHEMBL1779447 > 0 $$$$ CHEMBL1779436 SciTegic12291823182D 27 31 0 0 0 0 999 V2000 4.6711 -2.1419 0.0000 N 0 0 3.8919 -1.8835 0.0000 N 0 0 3.1795 -2.3044 0.0000 C 0 0 2.4709 -1.8835 0.0000 C 0 0 2.4709 -1.0584 0.0000 C 0 0 4.6170 -0.7501 0.0000 C 0 0 5.1585 -1.4833 0.0000 C 0 0 3.1795 -0.6543 0.0000 C 0 0 3.8960 -1.0626 0.0000 C 0 0 3.1708 0.1684 0.0000 C 0 0 3.8850 0.5843 0.0000 C 0 0 4.6041 0.1780 0.0000 C 0 0 5.3115 0.5954 0.0000 N 0 0 5.3061 1.4205 0.0000 N 0 0 4.5870 1.8269 0.0000 C 0 0 3.8733 1.4077 0.0000 C 0 0 4.5801 2.6517 0.0000 O 0 0 5.9837 -1.4904 0.0000 C 0 0 6.3902 -2.2086 0.0000 C 0 0 6.4024 -0.7796 0.0000 C 0 0 6.0172 1.8388 0.0000 C 0 0 6.7351 1.4318 0.0000 C 0 0 6.7376 0.6073 0.0000 C 0 0 7.4544 0.2005 0.0000 C 0 0 8.1667 0.6188 0.0000 C 0 0 8.1574 1.4480 0.0000 C 0 0 7.4399 1.8512 0.0000 C 0 0 2 1 1 0 3 4 2 0 6 7 1 0 11 16 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 1 7 2 0 15 17 2 0 8 9 1 0 7 18 1 0 2 9 1 0 18 19 1 0 9 6 2 0 18 20 1 0 3 2 1 0 14 21 1 0 8 10 1 0 21 22 1 0 11 10 1 0 22 23 2 0 12 6 1 0 23 24 1 0 11 12 1 0 24 25 2 0 4 5 1 0 25 26 1 0 5 8 2 0 26 27 2 0 27 22 1 0 M END > CHEMBL1779436 > 0 $$$$ CHEMBL1779443 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 13.4934 -16.8168 0.0000 C 0 0 13.4851 -18.1469 0.0000 N 0 0 13.9730 -17.4881 0.0000 C 0 0 12.7053 -17.8884 0.0000 N 0 0 12.7095 -17.0670 0.0000 C 0 0 11.9923 -18.3095 0.0000 C 0 0 11.9923 -16.6583 0.0000 C 0 0 14.7986 -17.4923 0.0000 C 0 0 11.2835 -17.8884 0.0000 C 0 0 11.2835 -17.0628 0.0000 C 0 0 15.2156 -16.7793 0.0000 C 0 0 15.2072 -18.2094 0.0000 C 0 0 11.9926 -15.8338 0.0000 C 0 0 12.7091 -15.4214 0.0000 N 0 0 12.7092 -14.5964 0.0000 N 0 0 11.9936 -14.1830 0.0000 C 0 0 11.2764 -14.6005 0.0000 C 0 0 11.2798 -15.4240 0.0000 C 0 0 11.9922 -13.3574 0.0000 Cl 0 0 11.9906 -19.1295 0.0000 O 0 0 12.7051 -19.5432 0.0000 C 0 0 10 7 2 0 11 8 1 0 12 8 1 0 4 2 1 0 6 9 2 0 2 3 2 0 13 14 2 0 3 1 1 0 14 15 1 0 4 5 1 0 15 16 2 0 5 1 2 0 16 17 1 0 6 4 1 0 17 18 2 0 18 13 1 0 7 13 1 0 7 5 1 0 16 19 1 0 8 3 1 0 9 10 1 0 20 21 1 0 6 20 1 0 M END > CHEMBL1779443 > 0 $$$$ CHEMBL1779437 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 13.6101 -0.8918 0.0000 C 0 0 13.6018 -2.2211 0.0000 N 0 0 14.0893 -1.5627 0.0000 C 0 0 12.8225 -1.9628 0.0000 N 0 0 12.8267 -1.1418 0.0000 C 0 0 12.1099 -2.3836 0.0000 C 0 0 12.1099 -0.7334 0.0000 C 0 0 14.9144 -1.5669 0.0000 C 0 0 11.4015 -1.9628 0.0000 C 0 0 11.4015 -1.1376 0.0000 C 0 0 15.3312 -0.8543 0.0000 C 0 0 15.3228 -2.2836 0.0000 C 0 0 13.8747 -0.1099 0.0000 C 0 0 14.6842 0.0545 0.0000 N 0 0 14.9451 0.8335 0.0000 N 0 0 14.4001 1.4534 0.0000 C 0 0 13.5906 1.2890 0.0000 C 0 0 13.3260 0.5047 0.0000 C 0 0 14.6632 2.2354 0.0000 O 0 0 15.7539 0.9966 0.0000 C 0 0 16.2996 0.3777 0.0000 C 0 0 16.0324 -0.4025 0.0000 C 0 0 16.5773 -1.0210 0.0000 C 0 0 17.3870 -0.8582 0.0000 C 0 0 17.6491 -0.0712 0.0000 C 0 0 17.1024 0.5440 0.0000 C 0 0 13 14 2 0 2 3 2 0 3 1 1 0 4 5 1 0 5 1 2 0 6 4 1 0 13 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 13 1 0 7 5 1 0 16 19 2 0 8 3 1 0 15 20 1 0 9 10 1 0 20 21 1 0 10 7 2 0 21 22 2 0 11 8 1 0 22 23 1 0 12 8 1 0 23 24 2 0 4 2 1 0 24 25 1 0 6 9 2 0 25 26 2 0 26 21 1 0 M END > CHEMBL1779437 > 0 $$$$ CHEMBL1819121 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 -2.0842 1.9109 0.0000 C 0 0 -2.0851 1.0844 0.0000 C 0 0 -1.3713 0.6701 0.0000 C 0 0 -1.3727 2.3217 0.0000 C 0 0 -2.7981 2.3235 0.0000 O 0 0 -3.5125 1.9116 0.0000 C 0 0 -2.7999 0.6733 0.0000 O 0 0 -3.5134 1.0867 0.0000 C 0 0 -0.6584 1.9137 0.0000 C 0 0 -0.6556 1.0868 0.0000 C 0 0 0.0580 0.6780 0.0000 C 0 0 0.7734 1.0917 0.0000 N 0 0 0.7706 1.9187 0.0000 C 0 0 0.0525 2.3320 0.0000 N 0 0 0.0597 -0.1466 0.0000 N 0 0 -0.6544 -0.5584 0.0000 C 0 0 -0.6548 -1.3794 0.0000 C 0 0 0.0584 -1.7941 0.0000 C 0 0 0.7735 -1.3816 0.0000 C 0 0 0.7755 -0.5544 0.0000 C 0 0 -1.3656 -1.7890 0.0000 C 0 0 -2.0794 -1.3737 0.0000 C 0 0 -2.7937 -1.7841 0.0000 C 0 0 -2.7956 -2.6096 0.0000 C 0 0 -2.0772 -3.0230 0.0000 C 0 0 -1.3657 -2.6102 0.0000 C 0 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 3 10 2 0 11 15 1 0 15 16 1 0 2 7 1 0 1 2 2 0 7 8 1 0 9 10 1 0 9 4 2 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 4 1 1 0 21 22 2 0 1 5 1 0 22 23 1 0 2 3 1 0 23 24 2 0 5 6 1 0 24 25 1 0 9 14 1 0 25 26 2 0 26 21 1 0 17 21 1 0 M END > CHEMBL1819121 > 1 $$$$ CHEMBL1819122 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 5.0150 2.1801 0.0000 C 0 0 5.0140 1.3532 0.0000 C 0 0 5.7282 0.9388 0.0000 C 0 0 5.7268 2.5911 0.0000 C 0 0 4.3008 2.5929 0.0000 O 0 0 3.5861 2.1808 0.0000 C 0 0 4.2989 0.9419 0.0000 O 0 0 3.5851 1.3556 0.0000 C 0 0 6.4414 2.1829 0.0000 C 0 0 6.4442 1.3557 0.0000 C 0 0 7.1582 0.9467 0.0000 C 0 0 7.8739 1.3605 0.0000 N 0 0 7.8710 2.1879 0.0000 C 0 0 7.1525 2.6014 0.0000 N 0 0 7.1598 0.1217 0.0000 N 0 0 6.4454 -0.2902 0.0000 C 0 0 6.4451 -1.1116 0.0000 C 0 0 7.1585 -1.5265 0.0000 C 0 0 7.8740 -1.1139 0.0000 C 0 0 7.8759 -0.2863 0.0000 C 0 0 5.7339 -1.5215 0.0000 C 0 0 5.0198 -1.1060 0.0000 C 0 0 4.3051 -1.5165 0.0000 C 0 0 4.3032 -2.3424 0.0000 C 0 0 5.0220 -2.7559 0.0000 C 0 0 5.7337 -2.3430 0.0000 C 0 0 2.8700 0.9443 0.0000 C 0 0 2.1562 1.3580 0.0000 C 0 0 12 13 1 0 13 14 2 0 3 10 2 0 11 15 1 0 15 16 1 0 2 7 1 0 1 2 2 0 7 8 1 0 9 10 1 0 9 4 2 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 4 1 1 0 21 22 2 0 1 5 1 0 22 23 1 0 2 3 1 0 23 24 2 0 5 6 1 0 24 25 1 0 9 14 1 0 25 26 2 0 26 21 1 0 17 21 1 0 10 11 1 0 8 27 1 0 11 12 2 0 27 28 1 0 M END > CHEMBL1819122 > 1 $$$$ CHEMBL1819128 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 7.9937 -17.0134 0.0000 C 0 0 7.9928 -17.8404 0.0000 C 0 0 8.7070 -18.2548 0.0000 C 0 0 8.7055 -16.6024 0.0000 C 0 0 7.2794 -16.6006 0.0000 O 0 0 6.5647 -17.0127 0.0000 C 0 0 7.2776 -18.2516 0.0000 O 0 0 6.5639 -17.8380 0.0000 C 0 0 9.4201 -17.0106 0.0000 C 0 0 9.4230 -17.8379 0.0000 C 0 0 10.1369 -18.2468 0.0000 C 0 0 10.8527 -17.8330 0.0000 N 0 0 10.8499 -17.0057 0.0000 C 0 0 10.1314 -16.5922 0.0000 N 0 0 10.1386 -19.0718 0.0000 N 0 0 9.4241 -19.4838 0.0000 C 0 0 9.4238 -20.3052 0.0000 C 0 0 10.1373 -20.7202 0.0000 C 0 0 10.8527 -20.3075 0.0000 C 0 0 10.8547 -19.4798 0.0000 C 0 0 8.7126 -20.7151 0.0000 C 0 0 7.9985 -20.2996 0.0000 C 0 0 7.2838 -20.7101 0.0000 C 0 0 7.2819 -21.5360 0.0000 C 0 0 8.0007 -21.9496 0.0000 C 0 0 8.7125 -21.5367 0.0000 C 0 0 5.8487 -18.2492 0.0000 C 0 0 5.1349 -17.8356 0.0000 C 0 0 5.1341 -17.0100 0.0000 N 0 0 4.4212 -16.5964 0.0000 C 0 0 3.7100 -17.0077 0.0000 C 0 0 3.7087 -17.8370 0.0000 C 0 0 4.4199 -18.2469 0.0000 C 0 0 2 7 1 0 1 2 2 0 7 8 1 0 9 10 1 0 9 4 2 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 4 1 1 0 21 22 2 0 1 5 1 0 22 23 1 0 2 3 1 0 23 24 2 0 5 6 1 0 24 25 1 0 9 14 1 0 25 26 2 0 26 21 1 0 17 21 1 0 10 11 1 0 8 27 1 0 11 12 2 0 27 28 1 0 12 13 1 0 28 29 2 0 13 14 2 0 29 30 1 0 3 10 2 0 30 31 2 0 11 15 1 0 31 32 1 0 15 16 1 0 32 33 2 0 33 28 1 0 M END > CHEMBL1819128 > 0 $$$$ CHEMBL1819132 SciTegic12291823182D 38 43 0 0 0 0 999 V2000 11.1886 1.7628 0.0000 C 0 0 11.1876 0.9358 0.0000 C 0 0 11.9019 0.5214 0.0000 C 0 0 11.9005 2.1739 0.0000 C 0 0 10.4743 2.1757 0.0000 O 0 0 9.7595 1.7635 0.0000 C 0 0 10.4725 0.5245 0.0000 O 0 0 9.7586 0.9382 0.0000 C 0 0 12.6152 1.7657 0.0000 C 0 0 12.6180 0.9383 0.0000 C 0 0 13.3320 0.5293 0.0000 C 0 0 14.0478 0.9432 0.0000 N 0 0 14.0450 1.7706 0.0000 C 0 0 13.3264 2.1841 0.0000 N 0 0 13.3337 -0.2958 0.0000 N 0 0 12.6192 -0.7078 0.0000 C 0 0 12.6188 -1.5293 0.0000 C 0 0 13.3323 -1.9442 0.0000 C 0 0 14.0479 -1.5315 0.0000 C 0 0 14.0499 -0.7038 0.0000 C 0 0 11.9076 -1.9391 0.0000 C 0 0 11.1934 -1.5236 0.0000 C 0 0 10.4787 -1.9342 0.0000 C 0 0 10.4768 -2.7601 0.0000 C 0 0 11.1956 -3.1737 0.0000 C 0 0 11.9074 -2.7608 0.0000 C 0 0 9.0434 0.5269 0.0000 C 0 0 8.3295 0.9406 0.0000 C 0 0 7.6145 0.5296 0.0000 C 0 0 6.8409 0.8034 0.0000 N 0 0 7.6017 -0.2935 0.0000 N 0 0 6.8116 -0.5313 0.0000 C 0 0 6.3432 0.1472 0.0000 C 0 0 5.5234 0.0799 0.0000 C 0 0 5.1709 -0.6652 0.0000 C 0 0 5.6444 -1.3440 0.0000 C 0 0 6.4626 -1.2733 0.0000 C 0 0 8.2600 -0.7909 0.0000 C 0 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 4 1 1 0 21 22 2 0 1 5 1 0 22 23 1 0 2 3 1 0 23 24 2 0 5 6 1 0 24 25 1 0 9 14 1 0 25 26 2 0 26 21 1 0 17 21 1 0 10 11 1 0 8 27 1 0 11 12 2 0 27 28 1 0 12 13 1 0 28 29 1 0 29 30 2 0 13 14 2 0 3 10 2 0 30 33 1 0 32 31 1 0 31 29 1 0 11 15 1 0 15 16 1 0 32 33 2 0 2 7 1 0 33 34 1 0 1 2 2 0 34 35 2 0 7 8 1 0 35 36 1 0 9 10 1 0 36 37 2 0 37 32 1 0 9 4 2 0 31 38 1 0 M END > CHEMBL1819132 > 0 $$$$ CHEMBL1738857 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 -1.4973 0.0000 N 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 3.8942 -1.4964 0.0000 C 0 0 5.1929 -0.7441 0.0000 C 0 0 6.4942 -1.4919 0.0000 O 0 0 7.7928 -0.7396 0.0000 C 0 0 7.7945 0.7721 0.0000 C 0 0 9.0877 1.5264 0.0000 C 0 0 10.3878 0.7836 0.0000 C 0 0 10.3947 -0.7134 0.0000 C 0 0 9.0925 -1.4836 0.0000 C 0 0 9.1021 -2.9842 0.0000 O 0 0 10.1448 -3.5783 0.0000 C 0 0 9.0807 3.0234 0.0000 N 0 0 10.3739 3.7777 0.0000 C 0 0 11.6740 3.0350 0.0000 N 0 0 11.6809 1.5379 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 7 1 0 5 6 2 0 10 5 1 0 8 7 2 0 8 9 1 0 11 8 1 0 10 9 2 0 11 12 1 0 12 13 1 0 14 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 22 1 0 17 18 2 0 17 25 1 0 18 19 1 0 19 20 1 0 21 20 1 0 23 22 2 0 23 24 1 0 25 24 2 0 M END > CHEMBL1738857 > 0 $$$$ CHEMBL1821775 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 1.4361 -4.3041 0.0000 C 0 0 1.4349 -5.1315 0.0000 C 0 0 2.1497 -5.5444 0.0000 C 0 0 2.1479 -3.8914 0.0000 C 0 0 2.8633 -4.3005 0.0000 C 0 0 2.8641 -5.1273 0.0000 C 0 0 3.5794 -5.5383 0.0000 C 0 0 4.2944 -5.1235 0.0000 N 0 0 4.2896 -4.2936 0.0000 C 0 0 3.5737 -3.8863 0.0000 C 0 0 3.5811 -6.3633 0.0000 C 0 0 2.8675 -6.7773 0.0000 C 0 0 2.1550 -6.3637 0.0000 C 0 0 1.4418 -6.7770 0.0000 C 0 0 1.4431 -7.6029 0.0000 C 0 0 2.1635 -8.0137 0.0000 C 0 0 2.8736 -7.5981 0.0000 C 0 0 0.7267 -6.3657 0.0000 C 0 0 0.7301 -8.0178 0.0000 O 0 0 0.0142 -7.6078 0.0000 C 0 0 0.7201 -5.5434 0.0000 O 0 0 0.0060 -5.1304 0.0000 C 0 0 0.7215 -3.8918 0.0000 O 0 0 0.7213 -3.0668 0.0000 C 0 0 0.0067 -2.6545 0.0000 C 0 0 0.0065 -1.8295 0.0000 F 0 0 5.8941 -2.7374 0.0000 C 0 0 5.4809 -3.4501 0.0000 C 0 0 5.4809 -2.0204 0.0000 O 0 0 6.7203 -2.7374 0.0000 O 0 0 5.8941 -4.1671 0.0000 O 0 0 4.6547 -3.4501 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 14 18 1 0 8 9 1 0 15 19 1 0 4 1 1 0 19 20 1 0 9 10 2 0 2 21 1 0 10 5 1 0 21 22 1 0 1 23 1 0 7 11 1 0 23 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 25 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821775 > 1 $$$$ CHEMBL1821774 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 -4.2806 -4.1208 0.0000 C 0 0 -4.2818 -4.9482 0.0000 C 0 0 -3.5669 -5.3610 0.0000 C 0 0 -3.5687 -3.7080 0.0000 C 0 0 -2.8534 -4.1172 0.0000 C 0 0 -2.8526 -4.9440 0.0000 C 0 0 -2.1373 -5.3550 0.0000 C 0 0 -1.4223 -4.9402 0.0000 N 0 0 -1.4270 -4.1102 0.0000 C 0 0 -2.1429 -3.7030 0.0000 C 0 0 -2.1356 -6.1800 0.0000 C 0 0 -2.8492 -6.5939 0.0000 C 0 0 -3.5617 -6.1804 0.0000 C 0 0 -4.2748 -6.5937 0.0000 C 0 0 -4.2736 -7.4196 0.0000 C 0 0 -3.5532 -7.8304 0.0000 C 0 0 -2.8430 -7.4148 0.0000 C 0 0 -4.9899 -6.1823 0.0000 F 0 0 -4.9866 -7.8345 0.0000 O 0 0 -5.7025 -7.4244 0.0000 C 0 0 -4.9966 -5.3601 0.0000 O 0 0 -5.7107 -4.9470 0.0000 C 0 0 -4.9952 -3.7085 0.0000 O 0 0 -4.9954 -2.8835 0.0000 C 0 0 -5.7099 -2.4711 0.0000 C 0 0 -5.7101 -1.6461 0.0000 F 0 0 0.5816 -2.3624 0.0000 C 0 0 0.1684 -3.0751 0.0000 C 0 0 0.1684 -1.6454 0.0000 O 0 0 1.4078 -2.3624 0.0000 O 0 0 0.5816 -3.7921 0.0000 O 0 0 -0.6578 -3.0751 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 14 18 1 0 8 9 1 0 15 19 1 0 4 1 1 0 19 20 1 0 9 10 2 0 2 21 1 0 10 5 1 0 21 22 1 0 1 23 1 0 7 11 1 0 23 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 25 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821774 > 1 $$$$ CHEMBL1821789 SciTegic12291823182D 33 34 0 0 0 0 999 V2000 -2.3639 -21.0791 0.0000 C 0 0 -2.3651 -21.9065 0.0000 C 0 0 -1.6503 -22.3194 0.0000 C 0 0 -1.6521 -20.6664 0.0000 C 0 0 -0.9367 -21.0755 0.0000 C 0 0 -0.9359 -21.9023 0.0000 C 0 0 -0.2206 -22.3133 0.0000 C 0 0 0.4944 -21.8985 0.0000 N 0 0 0.4896 -21.0686 0.0000 C 0 0 -0.2263 -20.6613 0.0000 C 0 0 -0.2189 -23.1383 0.0000 C 0 0 -0.9325 -23.5523 0.0000 C 0 0 -1.6450 -23.1387 0.0000 C 0 0 -2.3582 -23.5520 0.0000 C 0 0 -2.3569 -24.3779 0.0000 C 0 0 -1.6365 -24.7887 0.0000 C 0 0 -0.9264 -24.3731 0.0000 C 0 0 -3.0799 -22.3184 0.0000 O 0 0 -3.7940 -21.9054 0.0000 C 0 0 -3.0785 -20.6668 0.0000 O 0 0 -3.0787 -19.8418 0.0000 C 0 0 -3.0733 -23.1407 0.0000 O 0 0 -3.7871 -23.5543 0.0000 C 0 0 -3.0699 -24.7928 0.0000 O 0 0 -3.7858 -24.3828 0.0000 C 0 0 -4.4989 -24.7977 0.0000 C 0 0 -5.2148 -24.3876 0.0000 F 0 0 2.1128 -22.9249 0.0000 C 0 0 1.6997 -23.6376 0.0000 C 0 0 1.6997 -22.2079 0.0000 O 0 0 2.9390 -22.9249 0.0000 O 0 0 2.1128 -24.3546 0.0000 O 0 0 0.8735 -23.6376 0.0000 O 0 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 14 22 1 0 22 23 1 0 7 11 1 0 15 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 25 26 1 0 5 6 1 0 26 27 1 0 28 29 1 0 28 30 2 0 28 31 1 0 29 32 2 0 29 33 1 0 M END > CHEMBL1821789 > 1 $$$$ CHEMBL1821787 SciTegic12291823182D 33 34 0 0 0 0 999 V2000 16.0611 -15.0458 0.0000 C 0 0 16.0599 -15.8732 0.0000 C 0 0 16.7747 -16.2860 0.0000 C 0 0 16.7729 -14.6330 0.0000 C 0 0 17.4883 -15.0422 0.0000 C 0 0 17.4891 -15.8690 0.0000 C 0 0 18.2044 -16.2800 0.0000 C 0 0 18.9194 -15.8652 0.0000 N 0 0 18.9146 -15.0352 0.0000 C 0 0 18.1987 -14.6280 0.0000 C 0 0 18.2061 -17.1050 0.0000 C 0 0 17.4925 -17.5189 0.0000 C 0 0 16.7800 -17.1054 0.0000 C 0 0 16.0668 -17.5187 0.0000 C 0 0 16.0681 -18.3446 0.0000 C 0 0 16.7885 -18.7554 0.0000 C 0 0 17.4986 -18.3398 0.0000 C 0 0 15.3451 -16.2851 0.0000 O 0 0 14.6310 -15.8720 0.0000 C 0 0 15.3465 -14.6335 0.0000 O 0 0 15.3463 -13.8085 0.0000 C 0 0 15.3517 -17.1073 0.0000 O 0 0 15.3551 -18.7595 0.0000 O 0 0 14.6392 -18.3494 0.0000 C 0 0 14.6379 -17.5210 0.0000 C 0 0 13.9228 -17.1096 0.0000 C 0 0 13.2090 -17.5232 0.0000 F 0 0 20.2378 -17.0499 0.0000 C 0 0 19.8247 -17.7626 0.0000 C 0 0 19.8247 -16.3329 0.0000 O 0 0 21.0640 -17.0499 0.0000 O 0 0 20.2378 -18.4796 0.0000 O 0 0 18.9985 -17.7626 0.0000 O 0 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 14 22 1 0 15 23 1 0 7 11 1 0 23 24 1 0 2 3 1 0 22 25 1 0 11 12 1 0 25 26 1 0 5 6 1 0 26 27 1 0 28 29 1 0 28 30 2 0 28 31 1 0 29 32 2 0 29 33 1 0 M END > CHEMBL1821787 > 1 $$$$ CHEMBL1821790 SciTegic12291823182D 36 37 0 0 0 0 999 V2000 4.7819 -21.4250 0.0000 C 0 0 4.7807 -22.2523 0.0000 C 0 0 5.4956 -22.6652 0.0000 C 0 0 5.4938 -21.0122 0.0000 C 0 0 6.2091 -21.4213 0.0000 C 0 0 6.2099 -22.2482 0.0000 C 0 0 6.9252 -22.6591 0.0000 C 0 0 7.6402 -22.2444 0.0000 N 0 0 7.6355 -21.4144 0.0000 C 0 0 6.9196 -21.0072 0.0000 C 0 0 6.9269 -23.4841 0.0000 C 0 0 6.2133 -23.8981 0.0000 C 0 0 5.5008 -23.4846 0.0000 C 0 0 4.7877 -23.8979 0.0000 C 0 0 4.7889 -24.7237 0.0000 C 0 0 5.5093 -25.1346 0.0000 C 0 0 6.2195 -24.7189 0.0000 C 0 0 4.0659 -22.6643 0.0000 O 0 0 3.3518 -22.2512 0.0000 C 0 0 4.0673 -21.0126 0.0000 O 0 0 4.0671 -20.1876 0.0000 C 0 0 4.0726 -23.4865 0.0000 O 0 0 3.3587 -23.9001 0.0000 C 0 0 4.0759 -25.1387 0.0000 O 0 0 3.3600 -24.7286 0.0000 C 0 0 2.6470 -25.1435 0.0000 C 0 0 1.9311 -24.7335 0.0000 O 0 0 1.2180 -25.1484 0.0000 C 0 0 0.5021 -24.7383 0.0000 C 0 0 -0.2109 -25.1533 0.0000 F 0 0 8.6128 -23.6749 0.0000 C 0 0 8.1997 -24.3876 0.0000 C 0 0 8.1997 -22.9579 0.0000 O 0 0 9.4390 -23.6749 0.0000 O 0 0 8.6128 -25.1046 0.0000 O 0 0 7.3735 -24.3876 0.0000 O 0 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 14 22 1 0 22 23 1 0 7 11 1 0 15 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 25 26 1 0 5 6 1 0 26 27 1 0 12 13 2 0 27 28 1 0 3 6 2 0 28 29 1 0 13 14 1 0 29 30 1 0 31 32 1 0 31 33 2 0 31 34 1 0 32 35 2 0 32 36 1 0 M END > CHEMBL1821790 > 1 $$$$ CHEMBL1821791 SciTegic12291823182D 29 30 0 0 0 0 999 V2000 11.7277 -21.7166 0.0000 C 0 0 11.7266 -22.5440 0.0000 C 0 0 12.4414 -22.9569 0.0000 C 0 0 12.4396 -21.3039 0.0000 C 0 0 13.1550 -21.7130 0.0000 C 0 0 13.1557 -22.5398 0.0000 C 0 0 13.8710 -22.9508 0.0000 C 0 0 14.5861 -22.5360 0.0000 N 0 0 14.5813 -21.7061 0.0000 C 0 0 13.8654 -21.2988 0.0000 C 0 0 13.8728 -23.7758 0.0000 C 0 0 13.1591 -24.1898 0.0000 C 0 0 12.4466 -23.7762 0.0000 C 0 0 11.7335 -24.1895 0.0000 C 0 0 11.7348 -25.0154 0.0000 C 0 0 12.4551 -25.4262 0.0000 C 0 0 13.1653 -25.0106 0.0000 C 0 0 11.0118 -22.9559 0.0000 O 0 0 10.2976 -22.5429 0.0000 C 0 0 11.0132 -21.3043 0.0000 O 0 0 11.0130 -20.4793 0.0000 C 0 0 11.0217 -25.4303 0.0000 O 0 0 10.3058 -25.0203 0.0000 C 0 0 16.3628 -23.8936 0.0000 C 0 0 15.9497 -24.6064 0.0000 C 0 0 15.9497 -23.1767 0.0000 O 0 0 17.1890 -23.8936 0.0000 O 0 0 16.3628 -25.3233 0.0000 O 0 0 15.1235 -24.6064 0.0000 O 0 0 7 11 1 0 2 3 1 0 11 12 1 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 15 22 1 0 22 23 1 0 24 25 1 0 24 26 2 0 24 27 1 0 25 28 2 0 25 29 1 0 M END > CHEMBL1821791 > 1 $$$$ CHEMBL1821776 SciTegic12291823182D 31 32 0 0 0 0 999 V2000 7.8402 -2.5875 0.0000 C 0 0 7.8391 -3.4148 0.0000 C 0 0 8.5539 -3.8277 0.0000 C 0 0 8.5521 -2.1747 0.0000 C 0 0 9.2675 -2.5838 0.0000 C 0 0 9.2682 -3.4107 0.0000 C 0 0 9.9835 -3.8216 0.0000 C 0 0 10.6986 -3.4069 0.0000 N 0 0 10.6938 -2.5769 0.0000 C 0 0 9.9779 -2.1697 0.0000 C 0 0 9.9853 -4.6466 0.0000 C 0 0 9.2716 -5.0606 0.0000 C 0 0 8.5591 -4.6471 0.0000 C 0 0 7.8460 -5.0604 0.0000 C 0 0 7.8473 -5.8862 0.0000 C 0 0 8.5676 -6.2971 0.0000 C 0 0 9.2778 -5.8814 0.0000 C 0 0 7.1342 -6.3012 0.0000 S 0 0 6.4183 -5.8911 0.0000 C 0 0 7.1243 -3.8268 0.0000 O 0 0 6.4101 -3.4137 0.0000 C 0 0 7.1257 -2.1751 0.0000 O 0 0 6.4113 -2.5878 0.0000 C 0 0 5.6967 -2.1755 0.0000 C 0 0 4.9824 -2.5881 0.0000 F 0 0 12.3003 -4.8936 0.0000 C 0 0 11.8872 -5.6064 0.0000 C 0 0 11.8872 -4.1767 0.0000 O 0 0 13.1265 -4.8936 0.0000 O 0 0 12.3003 -6.3233 0.0000 O 0 0 11.0610 -5.6064 0.0000 O 0 0 11 12 1 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 15 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 2 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 1 22 1 0 22 23 1 0 7 11 1 0 23 24 1 0 2 3 1 0 24 25 1 0 26 27 1 0 26 28 2 0 26 29 1 0 27 30 2 0 27 31 1 0 M END > CHEMBL1821776 > 0 $$$$ CHEMBL1821777 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 14.5986 -2.2000 0.0000 C 0 0 14.5974 -3.0273 0.0000 C 0 0 15.3122 -3.4402 0.0000 C 0 0 15.3104 -1.7872 0.0000 C 0 0 16.0258 -2.1963 0.0000 C 0 0 16.0266 -3.0232 0.0000 C 0 0 16.7419 -3.4341 0.0000 C 0 0 17.4569 -3.0194 0.0000 N 0 0 17.4521 -2.1894 0.0000 C 0 0 16.7362 -1.7822 0.0000 C 0 0 16.7436 -4.2591 0.0000 C 0 0 16.0300 -4.6731 0.0000 C 0 0 15.3175 -4.2596 0.0000 C 0 0 14.6043 -4.6729 0.0000 C 0 0 14.6056 -5.4987 0.0000 C 0 0 15.3260 -5.9096 0.0000 C 0 0 16.0361 -5.4939 0.0000 C 0 0 13.8892 -4.2615 0.0000 F 0 0 13.8926 -5.9137 0.0000 O 0 0 13.1767 -5.5036 0.0000 C 0 0 13.8826 -3.4393 0.0000 O 0 0 13.1685 -3.0262 0.0000 C 0 0 13.8840 -1.7876 0.0000 O 0 0 13.8838 -0.9626 0.0000 C 0 0 12.4537 -3.4381 0.0000 C 0 0 11.7395 -3.0251 0.0000 F 0 0 18.8628 -4.2686 0.0000 C 0 0 18.4497 -4.9814 0.0000 C 0 0 18.4497 -3.5517 0.0000 O 0 0 19.6890 -4.2686 0.0000 O 0 0 18.8628 -5.6983 0.0000 O 0 0 17.6235 -4.9814 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 14 18 1 0 8 9 1 0 15 19 1 0 4 1 1 0 19 20 1 0 9 10 2 0 2 21 1 0 10 5 1 0 21 22 1 0 1 23 1 0 7 11 1 0 23 24 1 0 2 3 1 0 22 25 1 0 11 12 1 0 25 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821777 > 0 $$$$ CHEMBL1821778 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 21.2069 -2.0000 0.0000 C 0 0 21.2057 -2.8273 0.0000 C 0 0 21.9206 -3.2402 0.0000 C 0 0 21.9188 -1.5872 0.0000 C 0 0 22.6341 -1.9963 0.0000 C 0 0 22.6349 -2.8232 0.0000 C 0 0 23.3502 -3.2341 0.0000 C 0 0 24.0652 -2.8194 0.0000 N 0 0 24.0605 -1.9894 0.0000 C 0 0 23.3446 -1.5822 0.0000 C 0 0 23.3519 -4.0591 0.0000 C 0 0 22.6383 -4.4731 0.0000 C 0 0 21.9258 -4.0596 0.0000 C 0 0 21.2127 -4.4729 0.0000 C 0 0 21.2139 -5.2987 0.0000 C 0 0 21.9343 -5.7096 0.0000 C 0 0 22.6445 -5.2939 0.0000 C 0 0 20.4976 -4.0615 0.0000 C 0 0 20.5009 -5.7137 0.0000 O 0 0 19.7850 -5.3036 0.0000 C 0 0 20.4909 -3.2393 0.0000 O 0 0 19.7768 -2.8262 0.0000 C 0 0 20.4923 -1.5876 0.0000 O 0 0 20.4921 -0.7626 0.0000 C 0 0 19.0620 -3.2381 0.0000 C 0 0 18.3479 -2.8251 0.0000 F 0 0 25.6441 -4.2686 0.0000 C 0 0 25.2309 -4.9814 0.0000 C 0 0 25.2309 -3.5517 0.0000 O 0 0 26.4703 -4.2686 0.0000 O 0 0 25.6441 -5.6983 0.0000 O 0 0 24.4047 -4.9814 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 14 18 1 0 8 9 1 0 15 19 1 0 4 1 1 0 19 20 1 0 9 10 2 0 2 21 1 0 10 5 1 0 21 22 1 0 1 23 1 0 7 11 1 0 23 24 1 0 2 3 1 0 22 25 1 0 11 12 1 0 25 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821778 > 0 $$$$ CHEMBL1821779 SciTegic12291823182D 31 32 0 0 0 0 999 V2000 -3.6098 -9.4958 0.0000 C 0 0 -3.6109 -10.3232 0.0000 C 0 0 -2.8961 -10.7360 0.0000 C 0 0 -2.8979 -9.0830 0.0000 C 0 0 -2.1825 -9.4922 0.0000 C 0 0 -2.1818 -10.3190 0.0000 C 0 0 -1.4665 -10.7300 0.0000 C 0 0 -0.7514 -10.3152 0.0000 N 0 0 -0.7562 -9.4852 0.0000 C 0 0 -1.4721 -9.0780 0.0000 C 0 0 -1.4647 -11.5550 0.0000 C 0 0 -2.1784 -11.9689 0.0000 C 0 0 -2.8909 -11.5554 0.0000 C 0 0 -3.6040 -11.9687 0.0000 C 0 0 -3.6027 -12.7946 0.0000 C 0 0 -2.8824 -13.2054 0.0000 C 0 0 -2.1722 -12.7898 0.0000 C 0 0 -4.3158 -13.2095 0.0000 S 0 0 -5.0317 -12.7994 0.0000 C 0 0 -4.3257 -10.7351 0.0000 O 0 0 -5.0399 -10.3220 0.0000 C 0 0 -4.3243 -9.0835 0.0000 O 0 0 -4.3245 -8.2585 0.0000 C 0 0 -5.7547 -10.7340 0.0000 C 0 0 -6.4729 -10.3209 0.0000 F 0 0 0.9566 -11.8936 0.0000 C 0 0 0.5434 -12.6064 0.0000 C 0 0 0.5434 -11.1767 0.0000 O 0 0 1.7828 -11.8936 0.0000 O 0 0 0.9566 -13.3233 0.0000 O 0 0 -0.2828 -12.6064 0.0000 O 0 0 11 12 1 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 15 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 2 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 1 22 1 0 22 23 1 0 7 11 1 0 21 24 1 0 2 3 1 0 24 25 1 0 26 27 1 0 26 28 2 0 26 29 1 0 27 30 2 0 27 31 1 0 M END > CHEMBL1821779 > 0 $$$$ CHEMBL1821780 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 3.9444 -9.2125 0.0000 C 0 0 3.9432 -10.0398 0.0000 C 0 0 4.6581 -10.4527 0.0000 C 0 0 4.6563 -8.7997 0.0000 C 0 0 5.3716 -9.2088 0.0000 C 0 0 5.3724 -10.0357 0.0000 C 0 0 6.0877 -10.4466 0.0000 C 0 0 6.8027 -10.0319 0.0000 N 0 0 6.7980 -9.2019 0.0000 C 0 0 6.0821 -8.7947 0.0000 C 0 0 6.0894 -11.2716 0.0000 C 0 0 5.3758 -11.6856 0.0000 C 0 0 4.6633 -11.2721 0.0000 C 0 0 3.9502 -11.6854 0.0000 C 0 0 3.9514 -12.5112 0.0000 C 0 0 4.6718 -12.9221 0.0000 C 0 0 5.3820 -12.5064 0.0000 C 0 0 3.2384 -12.9262 0.0000 O 0 0 2.5225 -12.5161 0.0000 C 0 0 3.2284 -10.4518 0.0000 O 0 0 2.5143 -10.0387 0.0000 C 0 0 3.2298 -8.8001 0.0000 O 0 0 3.2296 -7.9751 0.0000 C 0 0 1.7995 -10.4506 0.0000 C 0 0 1.0854 -10.0376 0.0000 F 0 0 6.0992 -12.9141 0.0000 F 0 0 8.3628 -11.5186 0.0000 C 0 0 7.9497 -12.2314 0.0000 C 0 0 7.9497 -10.8017 0.0000 O 0 0 9.1890 -11.5186 0.0000 O 0 0 8.3628 -12.9483 0.0000 O 0 0 7.1235 -12.2314 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 15 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 2 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 1 22 1 0 22 23 1 0 7 11 1 0 21 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 17 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821780 > 0 $$$$ CHEMBL1821781 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 10.2277 -8.8041 0.0000 C 0 0 10.2266 -9.6315 0.0000 C 0 0 10.9414 -10.0444 0.0000 C 0 0 10.9396 -8.3914 0.0000 C 0 0 11.6550 -8.8005 0.0000 C 0 0 11.6557 -9.6273 0.0000 C 0 0 12.3710 -10.0383 0.0000 C 0 0 13.0861 -9.6235 0.0000 N 0 0 13.0813 -8.7936 0.0000 C 0 0 12.3654 -8.3863 0.0000 C 0 0 12.3728 -10.8633 0.0000 C 0 0 11.6591 -11.2773 0.0000 C 0 0 10.9466 -10.8637 0.0000 C 0 0 10.2335 -11.2770 0.0000 C 0 0 10.2348 -12.1029 0.0000 C 0 0 10.9551 -12.5137 0.0000 C 0 0 11.6653 -12.0981 0.0000 C 0 0 9.5118 -10.0434 0.0000 O 0 0 8.7976 -9.6304 0.0000 C 0 0 9.5132 -8.3918 0.0000 O 0 0 9.5130 -7.5668 0.0000 C 0 0 8.0828 -10.0423 0.0000 C 0 0 7.3687 -9.6292 0.0000 F 0 0 12.3825 -12.5058 0.0000 O 0 0 12.3881 -13.3308 0.0000 C 0 0 9.5184 -10.8657 0.0000 Br 0 0 14.7378 -11.2686 0.0000 C 0 0 14.3247 -11.9814 0.0000 C 0 0 14.3247 -10.5517 0.0000 O 0 0 15.5640 -11.2686 0.0000 O 0 0 14.7378 -12.6983 0.0000 O 0 0 13.4985 -11.9814 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 19 22 1 0 22 23 1 0 7 11 1 0 17 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 14 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821781 > 0 $$$$ CHEMBL1821782 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 16.2236 -9.1458 0.0000 C 0 0 16.2224 -9.9732 0.0000 C 0 0 16.9372 -10.3860 0.0000 C 0 0 16.9354 -8.7330 0.0000 C 0 0 17.6508 -9.1422 0.0000 C 0 0 17.6516 -9.9690 0.0000 C 0 0 18.3669 -10.3800 0.0000 C 0 0 19.0819 -9.9652 0.0000 N 0 0 19.0771 -9.1352 0.0000 C 0 0 18.3612 -8.7280 0.0000 C 0 0 18.3686 -11.2050 0.0000 C 0 0 17.6550 -11.6189 0.0000 C 0 0 16.9425 -11.2054 0.0000 C 0 0 16.2293 -11.6187 0.0000 C 0 0 16.2306 -12.4446 0.0000 C 0 0 16.9510 -12.8554 0.0000 C 0 0 17.6611 -12.4398 0.0000 C 0 0 15.5076 -10.3851 0.0000 O 0 0 14.7935 -9.9720 0.0000 C 0 0 15.5090 -8.7335 0.0000 O 0 0 15.5088 -7.9085 0.0000 C 0 0 14.0787 -10.3840 0.0000 C 0 0 13.3645 -9.9709 0.0000 F 0 0 15.5142 -11.2073 0.0000 Br 0 0 15.5176 -12.8595 0.0000 O 0 0 14.8017 -12.4494 0.0000 C 0 0 20.8628 -10.8936 0.0000 C 0 0 20.4497 -11.6064 0.0000 C 0 0 20.4497 -10.1767 0.0000 O 0 0 21.6890 -10.8936 0.0000 O 0 0 20.8628 -12.3233 0.0000 O 0 0 19.6235 -11.6064 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 19 22 1 0 22 23 1 0 7 11 1 0 14 24 1 0 2 3 1 0 15 25 1 0 11 12 1 0 25 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821782 > 0 $$$$ CHEMBL1821783 SciTegic12291823182D 30 31 0 0 0 0 999 V2000 22.6027 -9.6958 0.0000 C 0 0 22.6016 -10.5232 0.0000 C 0 0 23.3164 -10.9360 0.0000 C 0 0 23.3146 -9.2830 0.0000 C 0 0 24.0300 -9.6922 0.0000 C 0 0 24.0307 -10.5190 0.0000 C 0 0 24.7460 -10.9300 0.0000 C 0 0 25.4611 -10.5152 0.0000 N 0 0 25.4563 -9.6852 0.0000 C 0 0 24.7404 -9.2780 0.0000 C 0 0 24.7478 -11.7550 0.0000 C 0 0 24.0341 -12.1689 0.0000 C 0 0 23.3216 -11.7554 0.0000 C 0 0 22.6085 -12.1687 0.0000 C 0 0 22.6098 -12.9946 0.0000 C 0 0 23.3301 -13.4054 0.0000 C 0 0 24.0403 -12.9898 0.0000 C 0 0 21.8868 -10.9351 0.0000 O 0 0 21.1726 -10.5220 0.0000 C 0 0 21.8882 -9.2835 0.0000 O 0 0 21.8880 -8.4585 0.0000 C 0 0 20.4578 -10.9340 0.0000 C 0 0 19.7437 -10.5209 0.0000 F 0 0 21.8934 -11.7573 0.0000 F 0 0 27.3628 -12.1749 0.0000 C 0 0 26.9497 -12.8876 0.0000 C 0 0 26.9497 -11.4579 0.0000 O 0 0 28.1890 -12.1749 0.0000 O 0 0 27.3628 -13.6046 0.0000 O 0 0 26.1235 -12.8876 0.0000 O 0 0 2 3 1 0 11 12 1 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 19 22 1 0 22 23 1 0 7 11 1 0 14 24 1 0 25 26 1 0 25 27 2 0 25 28 1 0 26 29 2 0 26 30 1 0 M END > CHEMBL1821783 > 0 $$$$ CHEMBL1821784 SciTegic12291823182D 35 36 0 0 0 0 999 V2000 -2.9306 -15.2041 0.0000 C 0 0 -2.9318 -16.0315 0.0000 C 0 0 -2.2169 -16.4444 0.0000 C 0 0 -2.2187 -14.7914 0.0000 C 0 0 -1.5034 -15.2005 0.0000 C 0 0 -1.5026 -16.0273 0.0000 C 0 0 -0.7873 -16.4383 0.0000 C 0 0 -0.0723 -16.0235 0.0000 N 0 0 -0.0770 -15.1936 0.0000 C 0 0 -0.7929 -14.7863 0.0000 C 0 0 -0.7856 -17.2633 0.0000 C 0 0 -1.4992 -17.6773 0.0000 C 0 0 -2.2117 -17.2637 0.0000 C 0 0 -2.9248 -17.6770 0.0000 C 0 0 -2.9236 -18.5029 0.0000 C 0 0 -2.2032 -18.9137 0.0000 C 0 0 -1.4930 -18.4981 0.0000 C 0 0 -3.6466 -16.4434 0.0000 O 0 0 -4.3607 -16.0304 0.0000 C 0 0 -3.6452 -14.7918 0.0000 O 0 0 -3.6454 -13.9668 0.0000 C 0 0 -5.0755 -16.4423 0.0000 C 0 0 -5.7896 -16.0292 0.0000 F 0 0 -3.6399 -17.2657 0.0000 O 0 0 -3.6366 -18.9178 0.0000 O 0 0 -4.3525 -18.5078 0.0000 C 0 0 -4.3538 -17.6793 0.0000 C 0 0 -5.0689 -17.2679 0.0000 C 0 0 -5.7827 -17.6816 0.0000 F 0 0 1.5816 -17.0186 0.0000 C 0 0 1.1684 -17.7314 0.0000 C 0 0 1.1684 -16.3017 0.0000 O 0 0 2.4078 -17.0186 0.0000 O 0 0 1.5816 -18.4483 0.0000 O 0 0 0.3422 -17.7314 0.0000 O 0 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 19 22 1 0 22 23 1 0 7 11 1 0 14 24 1 0 2 3 1 0 15 25 1 0 11 12 1 0 25 26 1 0 5 6 1 0 24 27 1 0 12 13 2 0 27 28 1 0 3 6 2 0 28 29 1 0 30 31 1 0 30 32 2 0 30 33 1 0 31 34 2 0 31 35 1 0 M END > CHEMBL1821784 > 0 $$$$ CHEMBL1821785 SciTegic12291823182D 33 34 0 0 0 0 999 V2000 3.3486 -15.0750 0.0000 C 0 0 3.3474 -15.9023 0.0000 C 0 0 4.0622 -16.3152 0.0000 C 0 0 4.0604 -14.6622 0.0000 C 0 0 4.7758 -15.0713 0.0000 C 0 0 4.7766 -15.8982 0.0000 C 0 0 5.4919 -16.3091 0.0000 C 0 0 6.2069 -15.8944 0.0000 N 0 0 6.2021 -15.0644 0.0000 C 0 0 5.4862 -14.6572 0.0000 C 0 0 5.4936 -17.1341 0.0000 C 0 0 4.7800 -17.5481 0.0000 C 0 0 4.0675 -17.1346 0.0000 C 0 0 3.3543 -17.5479 0.0000 C 0 0 3.3556 -18.3737 0.0000 C 0 0 4.0760 -18.7846 0.0000 C 0 0 4.7861 -18.3689 0.0000 C 0 0 2.6326 -16.3143 0.0000 O 0 0 1.9185 -15.9012 0.0000 C 0 0 2.6340 -14.6626 0.0000 O 0 0 2.6338 -13.8376 0.0000 C 0 0 1.2037 -16.3131 0.0000 C 0 0 0.4895 -15.9001 0.0000 F 0 0 2.6392 -17.1365 0.0000 O 0 0 1.9254 -17.5501 0.0000 C 0 0 5.5034 -18.7766 0.0000 O 0 0 5.5089 -19.6016 0.0000 C 0 0 8.0816 -17.1436 0.0000 C 0 0 7.6684 -17.8564 0.0000 C 0 0 7.6684 -16.4267 0.0000 O 0 0 8.9078 -17.1436 0.0000 O 0 0 8.0816 -18.5733 0.0000 O 0 0 6.8422 -17.8564 0.0000 O 0 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 19 22 1 0 22 23 1 0 7 11 1 0 14 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 17 26 1 0 5 6 1 0 26 27 1 0 28 29 1 0 28 30 2 0 28 31 1 0 29 32 2 0 29 33 1 0 M END > CHEMBL1821785 > 0 $$$$ CHEMBL1821786 SciTegic12291823182D 32 33 0 0 0 0 999 V2000 9.8152 -15.4083 0.0000 C 0 0 9.8141 -16.2357 0.0000 C 0 0 10.5289 -16.6485 0.0000 C 0 0 10.5271 -14.9955 0.0000 C 0 0 11.2425 -15.4047 0.0000 C 0 0 11.2432 -16.2315 0.0000 C 0 0 11.9585 -16.6425 0.0000 C 0 0 12.6736 -16.2277 0.0000 N 0 0 12.6688 -15.3977 0.0000 C 0 0 11.9529 -14.9905 0.0000 C 0 0 11.9603 -17.4675 0.0000 C 0 0 11.2466 -17.8814 0.0000 C 0 0 10.5341 -17.4679 0.0000 C 0 0 9.8210 -17.8812 0.0000 C 0 0 9.8223 -18.7071 0.0000 C 0 0 10.5426 -19.1179 0.0000 C 0 0 11.2528 -18.7023 0.0000 C 0 0 9.0993 -16.6476 0.0000 O 0 0 8.3851 -16.2345 0.0000 C 0 0 9.1007 -14.9960 0.0000 O 0 0 9.1005 -14.1710 0.0000 C 0 0 7.6703 -16.6465 0.0000 C 0 0 6.9562 -16.2334 0.0000 F 0 0 9.1059 -17.4698 0.0000 O 0 0 8.3921 -17.8835 0.0000 C 0 0 9.1092 -19.1220 0.0000 F 0 0 15.1753 -16.8936 0.0000 C 0 0 14.7622 -17.6064 0.0000 C 0 0 14.7622 -16.1767 0.0000 O 0 0 16.0015 -16.8936 0.0000 O 0 0 15.1753 -18.3233 0.0000 O 0 0 13.9360 -17.6064 0.0000 O 0 0 5 6 1 0 12 13 2 0 3 6 2 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 19 22 1 0 22 23 1 0 7 11 1 0 14 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 15 26 1 0 27 28 1 0 27 29 2 0 27 30 1 0 28 31 2 0 28 32 1 0 M END > CHEMBL1821786 > 0 $$$$ CHEMBL1821788 SciTegic12291823182D 35 36 0 0 0 0 999 V2000 22.6819 -15.5000 0.0000 C 0 0 22.6807 -16.3273 0.0000 C 0 0 23.3956 -16.7402 0.0000 C 0 0 23.3938 -15.0872 0.0000 C 0 0 24.1091 -15.4963 0.0000 C 0 0 24.1099 -16.3232 0.0000 C 0 0 24.8252 -16.7341 0.0000 C 0 0 25.5402 -16.3194 0.0000 N 0 0 25.5355 -15.4894 0.0000 C 0 0 24.8196 -15.0822 0.0000 C 0 0 24.8269 -17.5591 0.0000 C 0 0 24.1133 -17.9731 0.0000 C 0 0 23.4008 -17.5596 0.0000 C 0 0 22.6877 -17.9729 0.0000 C 0 0 22.6889 -18.7987 0.0000 C 0 0 23.4093 -19.2096 0.0000 C 0 0 24.1195 -18.7939 0.0000 C 0 0 21.9659 -16.7393 0.0000 O 0 0 21.2518 -16.3262 0.0000 C 0 0 21.9673 -15.0876 0.0000 O 0 0 21.9671 -14.2626 0.0000 C 0 0 20.5370 -16.7381 0.0000 C 0 0 19.8229 -16.3251 0.0000 F 0 0 21.9726 -17.5615 0.0000 O 0 0 21.2587 -17.9751 0.0000 C 0 0 21.9759 -19.2137 0.0000 O 0 0 21.2600 -18.8036 0.0000 C 0 0 20.5470 -19.2185 0.0000 C 0 0 19.8311 -18.8085 0.0000 F 0 0 27.1440 -17.4874 0.0000 C 0 0 26.7309 -18.2001 0.0000 C 0 0 26.7309 -16.7704 0.0000 O 0 0 27.9703 -17.4874 0.0000 O 0 0 27.1440 -18.9171 0.0000 O 0 0 25.9047 -18.2001 0.0000 O 0 0 13 14 1 0 6 7 1 0 14 15 2 0 1 2 2 0 15 16 1 0 7 8 2 0 16 17 2 0 17 12 1 0 5 4 2 0 2 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 1 20 1 0 9 10 2 0 20 21 1 0 10 5 1 0 19 22 1 0 22 23 1 0 7 11 1 0 14 24 1 0 2 3 1 0 24 25 1 0 11 12 1 0 15 26 1 0 5 6 1 0 26 27 1 0 12 13 2 0 27 28 1 0 3 6 2 0 28 29 1 0 30 31 1 0 30 32 2 0 30 33 1 0 31 34 2 0 31 35 1 0 M END > CHEMBL1821788 > 0 $$$$ CHEMBL1911559 SciTegic12291823182D 36 40 0 0 0 0 999 V2000 -5.9548 -8.0571 0.0000 C 0 0 -5.9560 -8.8845 0.0000 C 0 0 -5.2411 -9.2971 0.0000 C 0 0 -5.2429 -7.6445 0.0000 N 0 0 -4.5278 -8.0535 0.0000 C 0 0 -4.5290 -8.8865 0.0000 C 0 0 -3.8121 -9.3016 0.0000 N 0 0 -3.0896 -8.8886 0.0000 C 0 0 -3.0884 -8.0555 0.0000 C 0 0 -3.8097 -7.6359 0.0000 C 0 0 -3.8096 -6.8109 0.0000 O 0 0 -3.8144 -10.1266 0.0000 C 0 0 -3.1013 -10.5409 0.0000 C 0 0 -3.1089 -11.3661 0.0000 C 0 0 -2.3964 -11.7806 0.0000 C 0 0 -1.6800 -11.3700 0.0000 C 0 0 -1.6803 -10.5408 0.0000 C 0 0 -2.3932 -10.1303 0.0000 C 0 0 -2.3729 -7.6450 0.0000 C 0 0 -1.6597 -8.0590 0.0000 O 0 0 -2.3709 -6.8200 0.0000 N 0 0 -1.6556 -6.4092 0.0000 C 0 0 -0.9455 -6.8276 0.0000 C 0 0 -0.2307 -6.4176 0.0000 C 0 0 -0.2283 -5.5919 0.0000 C 0 0 -0.9466 -5.1778 0.0000 C 0 0 -1.6586 -5.5902 0.0000 C 0 0 -6.6705 -7.6450 0.0000 O 0 0 0.4867 -5.1802 0.0000 N 0 0 1.2007 -5.6001 0.0000 C 0 0 1.9135 -5.1919 0.0000 C 0 0 1.9187 -4.3668 0.0000 O 0 0 1.2048 -3.9513 0.0000 C 0 0 0.4860 -4.3611 0.0000 C 0 0 -3.8257 -11.7742 0.0000 Cl 0 0 -2.3945 -9.3053 0.0000 F 0 0 5 10 1 0 17 18 2 0 18 13 1 0 6 7 1 0 9 19 1 0 7 8 1 0 19 20 2 0 8 9 2 0 19 21 1 0 9 10 1 0 21 22 1 0 5 6 2 0 22 23 2 0 10 11 2 0 23 24 1 0 24 25 2 0 7 12 1 0 25 26 1 0 2 3 2 0 26 27 2 0 27 22 1 0 12 13 1 0 1 28 2 0 3 6 1 0 25 29 1 0 29 30 1 0 13 14 2 0 1 2 1 0 14 15 1 0 5 4 1 0 15 16 2 0 29 34 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 4 1 1 0 14 35 1 0 16 17 1 0 18 36 1 0 M END > CHEMBL1911559 > 1 $$$$ CHEMBL1911572 SciTegic12291823182D 35 38 0 0 0 0 999 V2000 -5.3260 -0.0208 0.0000 C 0 0 -5.3272 -0.8481 0.0000 C 0 0 -4.6125 -1.2609 0.0000 C 0 0 -4.6143 0.3920 0.0000 N 0 0 -3.8989 -0.0172 0.0000 C 0 0 -3.9001 -0.8501 0.0000 C 0 0 -3.1833 -1.2654 0.0000 N 0 0 -2.4606 -0.8522 0.0000 C 0 0 -2.4594 -0.0192 0.0000 C 0 0 -3.1809 0.4006 0.0000 C 0 0 -3.1809 1.2255 0.0000 O 0 0 -3.1856 -2.0904 0.0000 C 0 0 -2.4723 -2.5048 0.0000 C 0 0 -2.4799 -3.3300 0.0000 C 0 0 -1.7675 -3.7444 0.0000 C 0 0 -1.0509 -3.3339 0.0000 C 0 0 -1.0512 -2.5047 0.0000 C 0 0 -1.7643 -2.0941 0.0000 C 0 0 -1.7441 0.3915 0.0000 C 0 0 -1.0306 -0.0227 0.0000 O 0 0 -1.7420 1.2164 0.0000 N 0 0 -1.0266 1.6272 0.0000 C 0 0 -0.3166 1.2088 0.0000 C 0 0 0.3984 1.6188 0.0000 C 0 0 0.4009 2.4446 0.0000 C 0 0 -0.3176 2.8587 0.0000 C 0 0 -1.0295 2.4463 0.0000 C 0 0 -6.0419 0.3915 0.0000 O 0 0 -1.7656 -1.2691 0.0000 F 0 0 -3.1969 -3.7380 0.0000 Cl 0 0 1.1157 2.8563 0.0000 N 0 0 1.8297 2.4430 0.0000 C 0 0 1.1166 3.6812 0.0000 C 0 0 2.5446 2.8547 0.0000 C 0 0 1.8316 4.0929 0.0000 C 0 0 16 17 1 0 5 10 1 0 17 18 2 0 18 13 1 0 6 7 1 0 9 19 1 0 7 8 1 0 19 20 2 0 8 9 2 0 19 21 1 0 9 10 1 0 21 22 1 0 5 6 2 0 22 23 2 0 10 11 2 0 23 24 1 0 24 25 2 0 7 12 1 0 25 26 1 0 2 3 2 0 26 27 2 0 27 22 1 0 12 13 1 0 1 28 2 0 3 6 1 0 18 29 1 0 13 14 2 0 14 30 1 0 1 2 1 0 25 31 1 0 14 15 1 0 31 32 1 0 5 4 1 0 31 33 1 0 15 16 2 0 32 34 1 0 4 1 1 0 33 35 1 0 M END > CHEMBL1911572 > 1 $$$$ CHEMBL1915888 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 3.5694 2.1125 0.0000 C 0 0 3.5682 1.2852 0.0000 C 0 0 4.2831 0.8723 0.0000 N 0 0 4.2813 2.5253 0.0000 C 0 0 4.9966 2.1162 0.0000 C 0 0 5.0001 1.2831 0.0000 C 0 0 6.4362 2.1221 0.0000 C 0 0 5.7124 2.5380 0.0000 N 0 0 6.4396 1.2890 0.0000 C 0 0 5.7172 0.8719 0.0000 N 0 0 5.8906 0.0559 0.0000 C 0 0 6.7203 -0.0626 0.0000 N 0 0 7.0595 0.7308 0.0000 C 0 0 2.8534 0.8732 0.0000 O 0 0 2.1393 1.2863 0.0000 C 0 0 7.1494 2.5368 0.0000 C 0 0 7.8665 0.9023 0.0000 C 0 0 5.4976 -0.6684 0.0000 C 0 0 4.6747 -0.6864 0.0000 C 0 0 4.2814 -1.4107 0.0000 C 0 0 4.7127 -2.1150 0.0000 C 0 0 5.5416 -2.0904 0.0000 C 0 0 5.9313 -1.3656 0.0000 C 0 0 4.2453 0.0180 0.0000 C 0 0 2 3 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 4 1 1 0 21 22 1 0 5 6 1 0 22 23 2 0 23 18 1 0 19 24 1 0 M END > CHEMBL1915888 > 1 $$$$ CHEMBL1915891 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -4.0386 -3.5956 0.0000 C 0 0 -4.0398 -4.4229 0.0000 C 0 0 -3.3251 -4.8357 0.0000 N 0 0 -3.3269 -3.1828 0.0000 C 0 0 -2.6115 -3.5920 0.0000 C 0 0 -2.6081 -4.4249 0.0000 C 0 0 -1.1720 -3.5861 0.0000 C 0 0 -1.8958 -3.1702 0.0000 N 0 0 -1.1686 -4.4190 0.0000 C 0 0 -1.8910 -4.8361 0.0000 N 0 0 -1.7176 -5.6520 0.0000 C 0 0 -0.8879 -5.7393 0.0000 N 0 0 -0.5488 -4.9773 0.0000 C 0 0 -4.7546 -4.8348 0.0000 O 0 0 -5.4686 -4.4217 0.0000 C 0 0 -0.4589 -3.1713 0.0000 C 0 0 0.2581 -4.8057 0.0000 C 0 0 -2.1518 -6.3528 0.0000 C 0 0 -2.9742 -6.3233 0.0000 C 0 0 -3.4086 -7.0237 0.0000 C 0 0 -3.0185 -7.7517 0.0000 C 0 0 -2.1896 -7.7748 0.0000 C 0 0 -1.7590 -7.0736 0.0000 C 0 0 -3.3625 -5.5954 0.0000 Cl 0 0 -1.7970 -8.5002 0.0000 Cl 0 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 4 1 1 0 21 22 1 0 5 6 1 0 22 23 2 0 23 18 1 0 19 24 1 0 2 3 1 0 22 25 1 0 M END > CHEMBL1915891 > 1 $$$$ CHEMBL1915892 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 3.3986 -3.6625 0.0000 C 0 0 3.3974 -4.4898 0.0000 C 0 0 4.1122 -4.9027 0.0000 N 0 0 4.1104 -3.2497 0.0000 C 0 0 4.8258 -3.6588 0.0000 C 0 0 4.8292 -4.4919 0.0000 C 0 0 6.2654 -3.6842 0.0000 C 0 0 5.5103 -3.2370 0.0000 N 0 0 6.2688 -4.4860 0.0000 C 0 0 5.5464 -4.9031 0.0000 N 0 0 5.7198 -5.7191 0.0000 C 0 0 6.5495 -5.8063 0.0000 N 0 0 6.8887 -5.0442 0.0000 C 0 0 2.6826 -4.9018 0.0000 O 0 0 1.9685 -4.4887 0.0000 C 0 0 6.9786 -3.2382 0.0000 C 0 0 7.6956 -4.8727 0.0000 C 0 0 5.3038 -6.4306 0.0000 C 0 0 4.4808 -6.4224 0.0000 C 0 0 4.0645 -7.1337 0.0000 C 0 0 4.4732 -7.8514 0.0000 C 0 0 5.3024 -7.8533 0.0000 C 0 0 5.7150 -7.1413 0.0000 C 0 0 4.0740 -5.7046 0.0000 Cl 0 0 4.0578 -8.5642 0.0000 F 0 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 4 1 1 0 21 22 1 0 5 6 1 0 22 23 2 0 23 18 1 0 19 24 1 0 2 3 1 0 21 25 1 0 M END > CHEMBL1915892 > 1 $$$$ CHEMBL1915896 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 4.5027 -10.3416 0.0000 C 0 0 4.5016 -11.1690 0.0000 C 0 0 5.2164 -11.5819 0.0000 N 0 0 5.2146 -9.9289 0.0000 C 0 0 5.9300 -10.3380 0.0000 C 0 0 5.9334 -11.1711 0.0000 C 0 0 7.3695 -10.3321 0.0000 C 0 0 6.6457 -9.9162 0.0000 N 0 0 7.3730 -11.1652 0.0000 C 0 0 6.6505 -11.5823 0.0000 N 0 0 6.8239 -12.3983 0.0000 C 0 0 7.6536 -12.4855 0.0000 N 0 0 7.9928 -11.7234 0.0000 C 0 0 3.7868 -11.5809 0.0000 O 0 0 3.0726 -11.1679 0.0000 C 0 0 8.0827 -9.9174 0.0000 C 0 0 8.7998 -11.5519 0.0000 C 0 0 6.4191 -13.1161 0.0000 C 0 0 5.5960 -13.1206 0.0000 C 0 0 5.1908 -13.8384 0.0000 C 0 0 5.6106 -14.5496 0.0000 C 0 0 6.4398 -14.5386 0.0000 C 0 0 6.8413 -13.8203 0.0000 C 0 0 4.3659 -13.8463 0.0000 C 0 0 3.9465 -13.1358 0.0000 O 0 0 3.9603 -14.5647 0.0000 N 0 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 4 1 1 0 21 22 1 0 5 6 1 0 22 23 2 0 23 18 1 0 20 24 1 0 2 3 1 0 24 25 2 0 10 11 1 0 24 26 1 0 M END > CHEMBL1915896 > 1 $$$$ CHEMBL1915906 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 -3.0889 -4.9875 0.0000 C 0 0 -3.0901 -5.8148 0.0000 C 0 0 -2.3753 -6.2277 0.0000 N 0 0 -2.3771 -4.5747 0.0000 C 0 0 -1.6617 -4.9838 0.0000 C 0 0 -1.6583 -5.8169 0.0000 C 0 0 -0.2221 -4.9779 0.0000 C 0 0 -0.9459 -4.5307 0.0000 N 0 0 -0.2187 -5.8110 0.0000 C 0 0 -0.9411 -6.2281 0.0000 N 0 0 -0.7675 -7.0438 0.0000 C 0 0 0.0620 -7.1000 0.0000 N 0 0 0.4012 -6.3692 0.0000 C 0 0 -3.8049 -6.2268 0.0000 O 0 0 -4.5190 -5.8137 0.0000 C 0 0 0.4911 -4.5632 0.0000 C 0 0 1.2081 -6.1977 0.0000 C 0 0 -1.2495 -7.7133 0.0000 C 0 0 -2.0779 -7.7202 0.0000 C 0 0 -2.3294 -8.5059 0.0000 C 0 0 -1.6599 -8.9880 0.0000 C 0 0 -0.9946 -8.5001 0.0000 S 0 0 -2.5670 -7.0558 0.0000 C 0 0 2 3 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 18 19 2 0 7 8 2 0 9 10 1 0 5 4 2 0 4 1 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 18 1 0 5 6 1 0 19 23 1 0 M END > CHEMBL1915906 > 1 $$$$ CHEMBL1915910 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 5.1527 -11.2750 0.0000 C 0 0 5.1516 -12.1023 0.0000 C 0 0 5.8664 -12.5152 0.0000 N 0 0 5.8646 -10.8622 0.0000 C 0 0 6.5800 -11.2713 0.0000 C 0 0 6.5834 -12.1044 0.0000 C 0 0 8.0195 -11.2654 0.0000 C 0 0 7.2957 -10.8495 0.0000 N 0 0 8.0230 -12.0985 0.0000 C 0 0 7.3005 -12.5156 0.0000 N 0 0 7.4739 -13.3316 0.0000 C 0 0 8.3036 -13.4188 0.0000 N 0 0 8.6428 -12.6567 0.0000 C 0 0 4.4368 -12.5143 0.0000 O 0 0 3.7226 -12.1012 0.0000 C 0 0 8.7327 -10.8507 0.0000 C 0 0 9.4498 -12.4852 0.0000 C 0 0 6.9941 -14.0022 0.0000 C 0 0 6.1703 -14.0114 0.0000 C 0 0 5.9211 -14.7979 0.0000 N 0 0 6.5921 -15.2780 0.0000 N 0 0 7.2559 -14.7882 0.0000 C 0 0 8.0423 -15.0373 0.0000 C 0 0 5.6793 -13.3485 0.0000 C 0 0 5.1383 -15.0585 0.0000 C 0 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 18 19 2 0 7 8 2 0 9 10 1 0 5 4 2 0 4 1 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 18 1 0 5 6 1 0 22 23 1 0 19 24 1 0 2 3 1 0 20 25 1 0 M END > CHEMBL1915910 > 1 $$$$ CHEMBL1915912 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 -2.1304 -17.2278 0.0000 C 0 0 -2.1316 -18.0551 0.0000 C 0 0 -1.4168 -18.4680 0.0000 N 0 0 -1.4186 -16.8151 0.0000 C 0 0 -0.7033 -17.2242 0.0000 C 0 0 -0.6998 -18.0572 0.0000 C 0 0 0.7361 -17.2183 0.0000 C 0 0 0.0124 -16.7399 0.0000 N 0 0 0.7395 -18.0513 0.0000 C 0 0 0.0172 -18.4684 0.0000 N 0 0 0.1906 -19.2843 0.0000 C 0 0 1.0202 -19.3715 0.0000 N 0 0 1.3594 -18.6095 0.0000 C 0 0 -2.8464 -18.4670 0.0000 O 0 0 -3.5604 -18.0540 0.0000 C 0 0 1.4493 -16.8036 0.0000 C 0 0 2.1663 -18.4380 0.0000 C 0 0 -0.3053 -19.9431 0.0000 C 0 0 -1.1335 -19.9325 0.0000 S 0 0 -1.4017 -20.7126 0.0000 C 0 0 -0.7425 -21.2087 0.0000 N 0 0 -0.0672 -20.7351 0.0000 C 0 0 -2.1904 -20.9542 0.0000 C 0 0 0.7123 -21.0052 0.0000 C 0 0 2 3 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 18 19 1 0 7 8 2 0 9 10 1 0 5 4 2 0 4 1 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 18 2 0 5 6 1 0 20 23 1 0 22 24 1 0 M END > CHEMBL1915912 > 1 $$$$ CHEMBL1916091 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 3.2402 -22.6750 0.0000 C 0 0 3.2391 -23.5023 0.0000 C 0 0 3.9539 -23.9152 0.0000 N 0 0 3.9521 -22.2622 0.0000 C 0 0 4.6675 -22.6713 0.0000 C 0 0 4.6709 -23.5044 0.0000 C 0 0 6.1070 -22.6654 0.0000 C 0 0 5.3832 -22.2495 0.0000 N 0 0 6.1105 -23.4985 0.0000 C 0 0 5.3880 -23.9156 0.0000 N 0 0 5.5614 -24.7316 0.0000 C 0 0 6.3911 -24.8188 0.0000 N 0 0 6.7303 -24.0567 0.0000 C 0 0 2.5243 -23.9143 0.0000 O 0 0 1.8101 -23.5012 0.0000 C 0 0 6.8202 -22.2507 0.0000 C 0 0 7.5373 -23.8852 0.0000 C 0 0 5.1572 -25.4498 0.0000 C 0 0 4.3341 -25.4549 0.0000 C 0 0 3.9295 -26.1730 0.0000 N 0 0 4.3499 -26.8840 0.0000 C 0 0 5.1791 -26.8723 0.0000 C 0 0 5.5799 -26.1536 0.0000 C 0 0 6.4048 -26.1404 0.0000 C 0 0 2 3 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 2 14 1 0 1 2 2 0 14 15 1 0 5 8 1 0 7 16 1 0 6 10 1 0 13 17 1 0 9 7 1 0 11 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 4 1 1 0 21 22 1 0 5 6 1 0 22 23 2 0 23 18 1 0 23 24 1 0 M END > CHEMBL1916091 > 1 $$$$ CHEMBL1916106 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 -2.9223 -22.4291 0.0000 C 0 0 -2.9234 -23.2565 0.0000 C 0 0 -2.2086 -23.6694 0.0000 C 0 0 -2.2104 -22.0164 0.0000 C 0 0 -1.4950 -22.4255 0.0000 C 0 0 -1.4962 -23.2540 0.0000 C 0 0 -0.0634 -22.4275 0.0000 C 0 0 -0.7809 -22.0100 0.0000 N 0 0 -0.0646 -23.2560 0.0000 C 0 0 -0.7830 -23.6671 0.0000 N 0 0 -0.6141 -24.4774 0.0000 C 0 0 0.2089 -24.5672 0.0000 N 0 0 0.5484 -23.8123 0.0000 C 0 0 1.3560 -23.6439 0.0000 C 0 0 0.6521 -22.0167 0.0000 C 0 0 -3.6382 -23.6684 0.0000 O 0 0 -4.3524 -23.2554 0.0000 C 0 0 -5.0672 -23.6673 0.0000 F 0 0 -4.3517 -22.4304 0.0000 F 0 0 -5.0708 -22.8417 0.0000 F 0 0 -1.0348 -25.1863 0.0000 C 0 0 -1.8598 -25.1712 0.0000 C 0 0 -2.2809 -25.8798 0.0000 C 0 0 -1.8457 -26.5689 0.0000 N 0 0 -1.0478 -26.6076 0.0000 C 0 0 -0.6305 -25.8983 0.0000 C 0 0 -2.2613 -24.4504 0.0000 C 0 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 2 16 1 0 6 10 1 0 16 17 1 0 9 7 1 0 17 18 1 0 7 8 2 0 17 19 1 0 9 10 1 0 17 20 1 0 5 4 2 0 11 21 1 0 4 1 1 0 21 22 2 0 5 6 1 0 22 23 1 0 23 24 2 0 2 3 1 0 24 25 1 0 10 11 1 0 25 26 2 0 26 21 1 0 11 12 2 0 22 27 1 0 M END > CHEMBL1916106 > 1 $$$$ CHEMBL1916108 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 14.0736 -22.2458 0.0000 C 0 0 14.0724 -23.0732 0.0000 C 0 0 14.7872 -23.4860 0.0000 C 0 0 14.7854 -21.8330 0.0000 C 0 0 15.5008 -22.2422 0.0000 C 0 0 15.4996 -23.0706 0.0000 C 0 0 16.9324 -22.2442 0.0000 C 0 0 16.2149 -21.8266 0.0000 N 0 0 16.9313 -23.0727 0.0000 C 0 0 16.2128 -23.4838 0.0000 N 0 0 16.3822 -24.2935 0.0000 C 0 0 17.2047 -24.3838 0.0000 N 0 0 17.5442 -23.6289 0.0000 C 0 0 18.3518 -23.4605 0.0000 C 0 0 17.6479 -21.8334 0.0000 C 0 0 15.9690 -25.0032 0.0000 C 0 0 15.1429 -24.9999 0.0000 C 0 0 14.7287 -25.7126 0.0000 C 0 0 15.1396 -26.4290 0.0000 N 0 0 15.9689 -26.4283 0.0000 C 0 0 16.3793 -25.7151 0.0000 C 0 0 14.7328 -24.2841 0.0000 C 0 0 13.3576 -23.4851 0.0000 C 0 0 12.6435 -23.0720 0.0000 F 0 0 13.3570 -24.3101 0.0000 F 0 0 12.6375 -23.8917 0.0000 F 0 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 17 22 1 0 5 6 1 0 2 23 1 0 23 24 1 0 2 3 1 0 23 25 1 0 10 11 1 0 23 26 1 0 M END > CHEMBL1916108 > 1 $$$$ CHEMBL1916113 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 8.6361 -3.0416 0.0000 C 0 0 8.6349 -3.8690 0.0000 C 0 0 9.3497 -4.2819 0.0000 C 0 0 9.3479 -2.6289 0.0000 C 0 0 10.0633 -3.0380 0.0000 C 0 0 10.0621 -3.8665 0.0000 C 0 0 11.4949 -3.0400 0.0000 C 0 0 10.7774 -2.5912 0.0000 N 0 0 11.4938 -3.8685 0.0000 C 0 0 10.7753 -4.2796 0.0000 N 0 0 10.9447 -5.0894 0.0000 C 0 0 11.7672 -5.1797 0.0000 N 0 0 12.1067 -4.4248 0.0000 C 0 0 12.9143 -4.2564 0.0000 C 0 0 12.2104 -2.6292 0.0000 C 0 0 10.5182 -5.7913 0.0000 C 0 0 9.6923 -5.7725 0.0000 C 0 0 9.2650 -6.4773 0.0000 C 0 0 9.6624 -7.2013 0.0000 N 0 0 10.4915 -7.2161 0.0000 C 0 0 10.9151 -6.5107 0.0000 C 0 0 9.2957 -5.0491 0.0000 C 0 0 9.3455 -1.8039 0.0000 O 0 0 10.0587 -1.3892 0.0000 C 0 0 7.9201 -4.2809 0.0000 F 0 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 17 22 1 0 5 6 1 0 4 23 1 0 23 24 1 0 2 3 1 0 2 25 1 0 M END > CHEMBL1916113 > 1 $$$$ CHEMBL1916114 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 16.8930 -3.2705 0.0000 C 0 0 16.8918 -4.0979 0.0000 C 0 0 17.6066 -4.5106 0.0000 C 0 0 17.6048 -2.8578 0.0000 C 0 0 18.3201 -3.2669 0.0000 C 0 0 18.3190 -4.0953 0.0000 C 0 0 19.7517 -3.2689 0.0000 C 0 0 19.0342 -2.8514 0.0000 N 0 0 19.7505 -4.0974 0.0000 C 0 0 19.0321 -4.5084 0.0000 N 0 0 19.2014 -5.3182 0.0000 C 0 0 20.0238 -5.4084 0.0000 N 0 0 20.3633 -4.6535 0.0000 C 0 0 21.1709 -4.4851 0.0000 C 0 0 20.4670 -2.8582 0.0000 C 0 0 18.7750 -6.0199 0.0000 C 0 0 17.9492 -6.0012 0.0000 C 0 0 17.5218 -6.7059 0.0000 N 0 0 17.9192 -7.4299 0.0000 C 0 0 18.7482 -7.4447 0.0000 C 0 0 19.1719 -6.7392 0.0000 C 0 0 17.5525 -5.2779 0.0000 C 0 0 17.6023 -2.0328 0.0000 O 0 0 18.3155 -1.6183 0.0000 C 0 0 16.1772 -4.5097 0.0000 F 0 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 17 22 1 0 5 6 1 0 4 23 1 0 23 24 1 0 2 3 1 0 2 25 1 0 M END > CHEMBL1916114 > 1 $$$$ CHEMBL1916123 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 12.9183 -21.6107 0.0000 C 0 0 12.9171 -22.4379 0.0000 C 0 0 13.6320 -22.8508 0.0000 C 0 0 13.6302 -21.1979 0.0000 C 0 0 14.3454 -21.6070 0.0000 C 0 0 14.3443 -22.4354 0.0000 C 0 0 15.7770 -21.6090 0.0000 C 0 0 15.0596 -21.2228 0.0000 N 0 0 15.7758 -22.4374 0.0000 C 0 0 15.0575 -22.8485 0.0000 N 0 0 15.2267 -23.6582 0.0000 C 0 0 16.0492 -23.7485 0.0000 N 0 0 16.3886 -22.9937 0.0000 C 0 0 17.1963 -22.8253 0.0000 C 0 0 16.4923 -21.1983 0.0000 C 0 0 14.8004 -24.3601 0.0000 C 0 0 13.9745 -24.3413 0.0000 C 0 0 13.5472 -25.0460 0.0000 N 0 0 13.9445 -25.7700 0.0000 C 0 0 14.7736 -25.7848 0.0000 C 0 0 15.1972 -25.0794 0.0000 C 0 0 16.0220 -25.0945 0.0000 C 0 0 13.6277 -20.3730 0.0000 O 0 0 14.3408 -19.9584 0.0000 C 0 0 12.2025 -22.8499 0.0000 O 0 0 11.4883 -22.4368 0.0000 C 0 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 21 22 1 0 5 6 1 0 4 23 1 0 23 24 1 0 2 3 1 0 2 25 1 0 10 11 1 0 25 26 1 0 M END > CHEMBL1916123 > 1 $$$$ CHEMBL1916124 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 -3.9431 1.7375 0.0000 C 0 0 -3.9443 0.9102 0.0000 C 0 0 -3.2294 0.4973 0.0000 C 0 0 -3.2312 2.1503 0.0000 C 0 0 -2.5159 1.7412 0.0000 C 0 0 -2.5170 0.9127 0.0000 C 0 0 -1.0842 1.7392 0.0000 C 0 0 -1.8017 2.1567 0.0000 N 0 0 -1.0854 0.9107 0.0000 C 0 0 -1.8038 0.4996 0.0000 N 0 0 -1.6345 -0.3102 0.0000 C 0 0 -0.8120 -0.4005 0.0000 N 0 0 -0.4725 0.3544 0.0000 C 0 0 0.3352 0.5228 0.0000 C 0 0 -0.3688 2.1499 0.0000 C 0 0 -2.0609 -1.0121 0.0000 C 0 0 -2.8868 -0.9933 0.0000 C 0 0 -3.3142 -1.6981 0.0000 C 0 0 -2.9168 -2.4221 0.0000 N 0 0 -2.0877 -2.4369 0.0000 C 0 0 -1.6640 -1.7315 0.0000 C 0 0 -3.2835 -0.2699 0.0000 C 0 0 -3.2337 2.9753 0.0000 O 0 0 -2.5205 3.3899 0.0000 C 0 0 -4.6590 0.4982 0.0000 O 0 0 -5.3732 0.9113 0.0000 C 0 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 17 22 1 0 5 6 1 0 4 23 1 0 23 24 1 0 2 3 1 0 2 25 1 0 10 11 1 0 25 26 1 0 M END > CHEMBL1916124 > 1 $$$$ CHEMBL1916125 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 4.8027 2.0500 0.0000 C 0 0 4.8016 1.2227 0.0000 C 0 0 5.5164 0.8098 0.0000 C 0 0 5.5146 2.4628 0.0000 C 0 0 6.2300 2.0537 0.0000 C 0 0 6.2288 1.2252 0.0000 C 0 0 7.6616 2.0517 0.0000 C 0 0 6.9441 2.4692 0.0000 N 0 0 7.6604 1.2232 0.0000 C 0 0 6.9420 0.8121 0.0000 N 0 0 7.1114 0.0023 0.0000 C 0 0 7.9339 -0.0880 0.0000 N 0 0 8.2734 0.6669 0.0000 C 0 0 9.0810 0.8353 0.0000 C 0 0 8.3771 2.4624 0.0000 C 0 0 6.6849 -0.6996 0.0000 C 0 0 5.8590 -0.6808 0.0000 C 0 0 5.4316 -1.3856 0.0000 N 0 0 5.8290 -2.1096 0.0000 C 0 0 6.6582 -2.1244 0.0000 C 0 0 7.0818 -1.4190 0.0000 C 0 0 5.5121 3.2878 0.0000 O 0 0 6.2254 3.7024 0.0000 C 0 0 4.0868 0.8107 0.0000 O 0 0 3.3726 1.2238 0.0000 C 0 0 5.4624 0.0426 0.0000 C 0 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 4 22 1 0 5 6 1 0 22 23 1 0 2 24 1 0 2 3 1 0 24 25 1 0 10 11 1 0 17 26 1 0 M END > CHEMBL1916125 > 1 $$$$ CHEMBL1916130 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 -4.2889 -9.0708 0.0000 C 0 0 -4.2901 -9.8982 0.0000 C 0 0 -3.5753 -10.3110 0.0000 C 0 0 -3.5771 -8.6580 0.0000 C 0 0 -2.8617 -9.0672 0.0000 C 0 0 -2.8629 -9.8956 0.0000 C 0 0 -1.4301 -9.0692 0.0000 C 0 0 -2.1789 -8.6203 0.0000 N 0 0 -1.4312 -9.8977 0.0000 C 0 0 -2.1497 -10.3088 0.0000 N 0 0 -1.9803 -11.1186 0.0000 C 0 0 -1.1578 -11.2088 0.0000 N 0 0 -0.8183 -10.4539 0.0000 C 0 0 -0.0107 -10.2855 0.0000 C 0 0 -0.7146 -8.6584 0.0000 C 0 0 -2.4068 -11.8204 0.0000 C 0 0 -3.2327 -11.8017 0.0000 C 0 0 -3.6600 -12.5065 0.0000 C 0 0 -3.2939 -13.1993 0.0000 N 0 0 -2.4335 -13.2453 0.0000 C 0 0 -2.0099 -12.5398 0.0000 C 0 0 -3.6293 -11.0783 0.0000 C 0 0 -3.5795 -7.8330 0.0000 O 0 0 -2.8663 -7.4184 0.0000 C 0 0 -5.0049 -10.3101 0.0000 C 0 0 -5.7190 -9.8970 0.0000 F 0 0 -5.0055 -11.1351 0.0000 F 0 0 -5.7250 -10.7167 0.0000 F 0 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 17 22 1 0 5 6 1 0 4 23 1 0 23 24 1 0 2 3 1 0 2 25 1 0 10 11 1 0 25 26 1 0 11 12 2 0 25 27 1 0 12 13 1 0 25 28 1 0 M END > CHEMBL1916130 > 1 $$$$ CHEMBL1916131 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 4.9486 -9.7583 0.0000 C 0 0 4.9474 -10.5857 0.0000 C 0 0 5.6622 -10.9985 0.0000 C 0 0 5.6604 -9.3455 0.0000 C 0 0 6.3758 -9.7547 0.0000 C 0 0 6.3746 -10.5831 0.0000 C 0 0 7.8074 -9.7567 0.0000 C 0 0 7.0899 -9.3391 0.0000 N 0 0 7.8063 -10.5852 0.0000 C 0 0 7.0878 -10.9963 0.0000 N 0 0 7.2572 -11.8061 0.0000 C 0 0 8.0797 -11.8963 0.0000 N 0 0 8.4192 -11.1414 0.0000 C 0 0 9.2268 -10.9730 0.0000 C 0 0 8.5229 -9.3459 0.0000 C 0 0 6.8307 -12.5079 0.0000 C 0 0 6.0048 -12.4892 0.0000 C 0 0 5.5775 -13.1940 0.0000 C 0 0 5.9749 -13.9180 0.0000 N 0 0 6.8040 -13.9328 0.0000 C 0 0 7.2276 -13.2273 0.0000 C 0 0 5.6082 -11.7658 0.0000 C 0 0 5.6580 -8.5205 0.0000 Cl 0 0 4.2326 -10.9976 0.0000 O 0 0 3.5185 -10.5845 0.0000 C 0 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 17 22 1 0 5 6 1 0 4 23 1 0 2 24 1 0 2 3 1 0 24 25 1 0 M END > CHEMBL1916131 > 1 $$$$ CHEMBL1916132 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 13.7111 -9.2791 0.0000 C 0 0 13.7099 -10.1065 0.0000 C 0 0 14.4247 -10.5194 0.0000 C 0 0 14.4229 -8.8664 0.0000 C 0 0 15.1383 -9.2755 0.0000 C 0 0 15.1371 -10.1040 0.0000 C 0 0 16.5699 -9.2775 0.0000 C 0 0 15.8837 -8.8287 0.0000 N 0 0 16.5688 -10.1060 0.0000 C 0 0 15.8503 -10.5171 0.0000 N 0 0 16.0197 -11.3269 0.0000 C 0 0 16.8422 -11.4172 0.0000 N 0 0 17.1817 -10.6623 0.0000 C 0 0 17.9893 -10.4939 0.0000 C 0 0 17.2854 -8.8667 0.0000 C 0 0 15.5932 -12.0288 0.0000 C 0 0 14.7673 -12.0100 0.0000 C 0 0 14.3400 -12.7148 0.0000 C 0 0 14.7374 -13.4076 0.0000 N 0 0 15.5665 -13.4536 0.0000 C 0 0 15.9901 -12.7482 0.0000 C 0 0 14.3707 -11.2866 0.0000 C 0 0 14.4205 -8.0414 0.0000 Cl 0 0 12.9951 -10.5184 0.0000 C 0 0 12.2810 -10.1054 0.0000 F 0 0 12.9945 -11.3434 0.0000 F 0 0 12.2750 -10.9250 0.0000 F 0 0 12 13 1 0 13 9 2 0 3 6 2 0 13 14 1 0 1 2 2 0 7 15 1 0 5 8 1 0 6 10 1 0 16 17 2 0 9 7 1 0 17 18 1 0 7 8 2 0 18 19 2 0 9 10 1 0 19 20 1 0 5 4 2 0 20 21 2 0 21 16 1 0 11 16 1 0 4 1 1 0 17 22 1 0 5 6 1 0 4 23 1 0 2 24 1 0 2 3 1 0 24 25 1 0 10 11 1 0 24 26 1 0 11 12 2 0 24 27 1 0 M END > CHEMBL1916132 > 1 $$$$ CHEMBL1916475 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 8.6131 -9.0757 0.0000 C 0 0 8.6131 -9.9007 0.0000 N 0 0 9.3252 -10.3091 0.0000 C 0 0 9.3252 -8.6589 0.0000 N 0 0 10.0372 -9.0757 0.0000 C 0 0 10.0356 -9.8989 0.0000 C 0 0 10.7467 -10.3102 0.0000 N 0 0 11.4598 -9.8992 0.0000 N 0 0 11.4574 -9.0729 0.0000 C 0 0 10.7458 -8.6653 0.0000 C 0 0 7.8974 -8.6652 0.0000 O 0 0 9.3252 -7.8339 0.0000 C 0 0 10.0397 -7.4214 0.0000 C 0 0 10.0397 -6.5963 0.0000 O 0 0 10.7543 -6.1838 0.0000 C 0 0 11.4688 -6.5963 0.0000 C 0 0 12.1833 -6.1838 0.0000 C 0 0 12.1676 -8.6566 0.0000 C 0 0 12.8838 -9.0687 0.0000 C 0 0 13.5965 -8.6545 0.0000 N 0 0 13.5943 -7.8286 0.0000 C 0 0 12.8734 -7.4186 0.0000 C 0 0 12.1636 -7.8350 0.0000 C 0 0 14.3070 -7.4129 0.0000 O 0 0 15.0233 -7.8221 0.0000 C 0 0 9.3264 -11.1341 0.0000 N 0 0 8.6125 -11.5478 0.0000 C 0 0 7.9005 -11.1313 0.0000 C 0 0 7.1886 -11.5414 0.0000 C 0 0 7.1855 -12.3667 0.0000 C 0 0 7.9006 -12.7805 0.0000 C 0 0 8.6185 -12.3687 0.0000 C 0 0 6.4701 -12.7777 0.0000 O 0 0 15 16 1 0 7 8 2 0 16 17 1 0 3 6 1 0 8 9 1 0 18 19 2 0 5 4 1 0 19 20 1 0 9 10 2 0 20 21 2 0 10 5 1 0 21 22 1 0 22 23 2 0 23 18 1 0 9 18 1 0 1 11 2 0 21 24 1 0 1 2 1 0 24 25 1 0 4 12 1 0 3 26 1 0 5 6 2 0 26 27 1 0 27 28 1 0 12 13 1 0 1 4 1 0 13 14 1 0 6 7 1 0 14 15 1 0 27 32 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 2 3 2 0 30 33 1 0 M END > CHEMBL1916475 > 1 $$$$ CHEMBL1939912 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 3.7319 -4.3000 0.0000 C 0 0 3.7307 -5.1273 0.0000 C 0 0 4.4456 -5.5402 0.0000 C 0 0 4.4438 -3.8872 0.0000 C 0 0 4.4413 -3.0622 0.0000 C 0 0 3.0159 -5.5393 0.0000 O 0 0 2.3018 -5.1262 0.0000 C 0 0 5.1591 -4.2963 0.0000 C 0 0 5.1599 -5.1232 0.0000 C 0 0 5.8752 -5.5341 0.0000 C 0 0 5.8696 -3.8822 0.0000 N 0 0 6.5855 -4.2894 0.0000 C 0 0 6.5886 -5.1209 0.0000 C 0 0 7.3804 -5.3749 0.0000 C 0 0 7.8667 -4.7003 0.0000 N 0 0 7.3753 -4.0295 0.0000 N 0 0 7.6383 -6.1586 0.0000 C 0 0 5.8767 -6.3591 0.0000 C 0 0 5.1629 -6.7729 0.0000 N 0 0 4.4082 -6.4409 0.0000 C 0 0 3.8573 -7.0550 0.0000 C 0 0 4.2711 -7.7688 0.0000 C 0 0 2 0 0 0 5.0777 -7.5957 0.0000 C 0 0 3.9369 -8.5231 0.0000 O 0 0 11 8 1 0 12 13 1 0 4 5 1 0 2 3 1 0 2 6 1 0 3 9 2 0 6 7 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 1 2 2 0 14 17 1 0 8 4 2 0 10 18 1 0 8 9 1 0 18 19 1 0 19 20 1 0 4 1 1 0 9 10 1 0 10 13 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 19 1 0 12 11 2 0 22 24 1 6 M END > CHEMBL1939912 > 1 $$$$ CHEMBL1939914 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 17.1986 -4.9166 0.0000 C 0 0 17.1974 -5.7440 0.0000 C 0 0 17.9122 -6.1569 0.0000 C 0 0 17.9104 -4.5039 0.0000 C 0 0 17.9080 -3.6789 0.0000 C 0 0 16.4826 -6.1559 0.0000 O 0 0 15.7685 -5.7429 0.0000 C 0 0 18.6258 -4.9130 0.0000 C 0 0 18.6266 -5.7398 0.0000 C 0 0 19.3419 -6.1508 0.0000 C 0 0 19.3362 -4.4988 0.0000 N 0 0 20.0521 -4.9061 0.0000 C 0 0 20.0553 -5.7376 0.0000 C 0 0 20.8471 -5.9916 0.0000 C 0 0 21.3334 -5.3170 0.0000 N 0 0 20.8420 -4.6462 0.0000 N 0 0 21.1049 -6.7753 0.0000 C 0 0 19.3433 -6.9758 0.0000 C 0 0 18.6296 -7.3895 0.0000 N 0 0 17.9167 -6.9768 0.0000 C 0 0 17.2051 -7.3871 0.0000 C 0 0 17.2023 -8.2124 0.0000 O 0 0 17.9174 -8.6259 0.0000 C 0 0 18.6352 -8.2139 0.0000 C 0 0 11 8 1 0 12 13 1 0 4 5 1 0 2 3 1 0 2 6 1 0 3 9 2 0 6 7 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 1 2 2 0 14 17 1 0 8 4 2 0 10 18 1 0 8 9 1 0 18 19 1 0 19 20 1 0 4 1 1 0 9 10 1 0 10 13 2 0 12 11 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 M END > CHEMBL1939914 > 1 $$$$ CHEMBL1939915 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -3.9931 -10.9125 0.0000 C 0 0 -3.9943 -11.7398 0.0000 C 0 0 -3.2794 -12.1527 0.0000 C 0 0 -3.2812 -10.4997 0.0000 C 0 0 -3.2837 -9.6747 0.0000 C 0 0 -4.7091 -12.1518 0.0000 O 0 0 -5.4232 -11.7387 0.0000 C 0 0 -2.5659 -10.9088 0.0000 C 0 0 -2.5651 -11.7357 0.0000 C 0 0 -1.8498 -12.1466 0.0000 C 0 0 -1.8554 -10.4947 0.0000 N 0 0 -1.1395 -10.9019 0.0000 C 0 0 -1.1364 -11.7334 0.0000 C 0 0 -0.3446 -11.9874 0.0000 C 0 0 0.1417 -11.3128 0.0000 N 0 0 -0.3497 -10.6420 0.0000 N 0 0 -0.0867 -12.7711 0.0000 C 0 0 -1.8483 -12.9716 0.0000 C 0 0 -2.5621 -13.3854 0.0000 N 0 0 -3.2749 -12.9727 0.0000 C 0 0 -3.9866 -13.3829 0.0000 C 0 0 -3.9894 -14.2083 0.0000 O 0 0 -3.2743 -14.6217 0.0000 C 0 0 -2.5565 -14.2098 0.0000 C 0 0 -3.2757 -15.4467 0.0000 C 0 0 12 13 1 0 4 5 1 0 2 3 1 0 2 6 1 0 3 9 2 0 6 7 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 1 2 2 0 14 17 1 0 8 4 2 0 10 18 1 0 8 9 1 0 18 19 1 0 19 20 1 0 4 1 1 0 9 10 1 0 10 13 2 0 12 11 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 11 8 1 0 23 25 1 0 M END > CHEMBL1939915 > 1 $$$$ CHEMBL1939916 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 2.2944 -10.7208 0.0000 C 0 0 2.2932 -11.5482 0.0000 C 0 0 3.0081 -11.9610 0.0000 C 0 0 3.0063 -10.3080 0.0000 C 0 0 3.0038 -9.4830 0.0000 C 0 0 1.5784 -11.9601 0.0000 O 0 0 0.8643 -11.5470 0.0000 C 0 0 3.7216 -10.7172 0.0000 C 0 0 3.7224 -11.5440 0.0000 C 0 0 4.4377 -11.9550 0.0000 C 0 0 4.4321 -10.3030 0.0000 N 0 0 5.1480 -10.7102 0.0000 C 0 0 5.1511 -11.5418 0.0000 C 0 0 5.9429 -11.7958 0.0000 C 0 0 6.4292 -11.1212 0.0000 N 0 0 5.9378 -10.4504 0.0000 N 0 0 6.2008 -12.5794 0.0000 C 0 0 4.4392 -12.7800 0.0000 C 0 0 3.7254 -13.1937 0.0000 N 0 0 3.0126 -12.7810 0.0000 C 0 0 2.3009 -13.1912 0.0000 C 0 0 2.2981 -14.0166 0.0000 O 0 0 3.0132 -14.4300 0.0000 C 0 0 3.7310 -14.0181 0.0000 C 0 0 3.0118 -15.2550 0.0000 C 0 0 2.2967 -15.6664 0.0000 O 0 0 4 5 1 0 2 3 1 0 2 6 1 0 3 9 2 0 6 7 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 1 2 2 0 14 17 1 0 8 4 2 0 10 18 1 0 8 9 1 0 18 19 1 0 19 20 1 0 4 1 1 0 9 10 1 0 10 13 2 0 12 11 2 0 19 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 11 8 1 0 23 25 1 0 12 13 1 0 25 26 1 0 M END > CHEMBL1939916 > 0 $$$$ CHEMBL1940053 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 15.8152 -19.1041 0.0000 C 0 0 15.8141 -19.9315 0.0000 C 0 0 16.5289 -20.3444 0.0000 C 0 0 16.5271 -18.6914 0.0000 C 0 0 16.5246 -17.8664 0.0000 C 0 0 15.0993 -20.3434 0.0000 O 0 0 14.3851 -19.9304 0.0000 C 0 0 17.2425 -19.1005 0.0000 C 0 0 17.2432 -19.9273 0.0000 C 0 0 17.9585 -20.3383 0.0000 C 0 0 17.9529 -18.6863 0.0000 N 0 0 18.6688 -19.0936 0.0000 C 0 0 18.6719 -19.9251 0.0000 C 0 0 19.4637 -20.1791 0.0000 C 0 0 19.9500 -19.5045 0.0000 N 0 0 19.4587 -18.8337 0.0000 N 0 0 19.7216 -20.9628 0.0000 C 0 0 17.9600 -21.1633 0.0000 C 0 0 17.2463 -21.5770 0.0000 N 0 0 16.5383 -21.1034 0.0000 C 0 0 15.7737 -21.3606 0.0000 C 0 0 17.3032 -22.4051 0.0000 C 0 0 16.6877 -22.9516 0.0000 C 0 0 15.8413 -22.8049 0.0000 O 0 0 15.4629 -22.1104 0.0000 C 0 0 12 13 1 0 4 5 1 0 2 3 1 0 2 6 1 0 3 9 2 0 6 7 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 12 1 0 1 2 2 0 14 17 1 0 8 4 2 0 10 18 1 0 8 9 1 0 18 19 1 0 4 1 1 0 9 10 1 0 10 13 2 0 12 11 2 0 11 8 1 0 19 20 1 0 20 21 1 0 19 22 1 0 23 24 1 0 24 25 1 0 25 21 1 0 22 23 1 0 M END > CHEMBL1940053 > 1 $$$$ CHEMBL1940056 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 10.1319 -24.8458 0.0000 C 0 0 10.1307 -25.6732 0.0000 C 0 0 10.8456 -26.0860 0.0000 C 0 0 10.8438 -24.4330 0.0000 C 0 0 9.4159 -26.0851 0.0000 O 0 0 11.5591 -24.8422 0.0000 C 0 0 11.5599 -25.6690 0.0000 C 0 0 12.2752 -26.0800 0.0000 C 0 0 12.2696 -24.4280 0.0000 N 0 0 12.9855 -24.8352 0.0000 C 0 0 12.9886 -25.6668 0.0000 C 0 0 13.7804 -25.9208 0.0000 C 0 0 14.2667 -25.2462 0.0000 N 0 0 13.7753 -24.5754 0.0000 N 0 0 14.0383 -26.7044 0.0000 C 0 0 12.2767 -26.9050 0.0000 C 0 0 11.5629 -27.3187 0.0000 N 0 0 10.8549 -26.8450 0.0000 C 0 0 10.0903 -27.1022 0.0000 C 0 0 11.6199 -28.1468 0.0000 C 0 0 11.0043 -28.6933 0.0000 C 0 0 10.1580 -28.5465 0.0000 O 0 0 9.7796 -27.8521 0.0000 C 0 0 10.8413 -23.6080 0.0000 C 0 0 2 5 1 0 2 3 1 0 3 7 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 1 0 6 7 1 0 12 15 1 0 1 2 2 0 8 16 1 0 7 8 1 0 16 17 1 0 8 11 2 0 6 4 2 0 10 9 2 0 9 6 1 0 10 11 1 0 4 1 1 0 17 18 1 0 18 19 1 0 17 20 1 0 21 22 1 0 22 23 1 0 23 19 1 0 20 21 1 0 4 24 1 0 M END > CHEMBL1940056 > 1 $$$$ CHEMBL1940057 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 -1.9389 1.8750 0.0000 C 0 0 -1.9401 1.0477 0.0000 C 0 0 -1.2253 0.6348 0.0000 C 0 0 -1.2271 2.2878 0.0000 C 0 0 -2.6549 0.6357 0.0000 O 0 0 -0.5117 1.8787 0.0000 C 0 0 -0.5109 1.0518 0.0000 C 0 0 0.2044 0.6409 0.0000 C 0 0 0.1987 2.2928 0.0000 N 0 0 0.9146 1.8856 0.0000 C 0 0 0.9178 1.0541 0.0000 C 0 0 1.7096 0.8001 0.0000 C 0 0 2.1959 1.4747 0.0000 N 0 0 1.7045 2.1455 0.0000 N 0 0 1.9674 0.0164 0.0000 C 0 0 0.2058 -0.1841 0.0000 C 0 0 -0.5079 -0.5979 0.0000 N 0 0 -1.2159 -0.1242 0.0000 C 0 0 -1.9805 -0.3814 0.0000 C 0 0 -0.4510 -1.4259 0.0000 C 0 0 -1.0665 -1.9724 0.0000 C 0 0 -1.9128 -1.8257 0.0000 O 0 0 -2.2913 -1.1313 0.0000 C 0 0 -1.2295 3.1128 0.0000 C 0 0 -3.3690 1.0488 0.0000 C 0 0 -4.0838 0.6369 0.0000 C 0 0 -4.7980 1.0499 0.0000 O 0 0 -5.5128 0.6380 0.0000 C 0 0 12 13 2 0 13 14 1 0 14 10 1 0 6 7 1 0 12 15 1 0 1 2 2 0 8 16 1 0 7 8 1 0 16 17 1 0 8 11 2 0 6 4 2 0 10 9 2 0 9 6 1 0 10 11 1 0 4 1 1 0 17 18 1 0 18 19 1 0 17 20 1 0 21 22 1 0 22 23 1 0 23 19 1 0 20 21 1 0 4 24 1 0 2 5 1 0 5 25 1 0 2 3 1 0 25 26 1 0 3 7 2 0 26 27 1 0 11 12 1 0 27 28 1 0 M END > CHEMBL1940057 > 1 $$$$ CHEMBL1940058 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 5.4402 1.8375 0.0000 C 0 0 5.4391 1.0102 0.0000 C 0 0 6.1539 0.5973 0.0000 C 0 0 6.1521 2.2503 0.0000 C 0 0 4.7243 0.5982 0.0000 O 0 0 6.8675 1.8412 0.0000 C 0 0 6.8682 1.0143 0.0000 C 0 0 7.5835 0.6034 0.0000 C 0 0 7.5779 2.2553 0.0000 N 0 0 8.2938 1.8481 0.0000 C 0 0 8.2969 1.0166 0.0000 C 0 0 9.0887 0.7626 0.0000 C 0 0 9.5750 1.4372 0.0000 N 0 0 9.0837 2.1080 0.0000 N 0 0 9.3466 -0.0211 0.0000 C 0 0 7.5850 -0.2216 0.0000 C 0 0 6.8713 -0.6354 0.0000 N 0 0 6.1633 -0.1617 0.0000 C 0 0 5.3987 -0.4189 0.0000 C 0 0 6.9282 -1.4634 0.0000 C 0 0 6.3127 -2.0099 0.0000 C 0 0 5.4663 -1.8632 0.0000 O 0 0 5.0879 -1.1688 0.0000 C 0 0 6.1496 3.0753 0.0000 C 0 0 4.0101 1.0113 0.0000 C 0 0 3.2953 0.5994 0.0000 C 0 0 4.0108 1.8363 0.0000 C 0 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 1 0 6 7 1 0 12 15 1 0 1 2 2 0 8 16 1 0 7 8 1 0 16 17 1 0 8 11 2 0 6 4 2 0 10 9 2 0 9 6 1 0 10 11 1 0 4 1 1 0 17 18 1 0 18 19 1 0 17 20 1 0 21 22 1 0 22 23 1 0 23 19 1 0 20 21 1 0 4 24 1 0 2 5 1 0 5 25 1 0 2 3 1 0 25 26 1 0 3 7 2 0 25 27 1 0 M END > CHEMBL1940058 > 1 $$$$ CHEMBL1946746 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 0.9417 2.2625 0.0000 N 0 0 0.9417 1.4375 0.0000 N 0 0 1.6537 1.0292 0.0000 C 0 0 2.3657 1.4375 0.0000 C 0 0 2.3657 2.2625 0.0000 C 0 0 1.6537 2.6792 0.0000 C 0 0 1.6537 3.5042 0.0000 O 0 0 3.0796 1.0240 0.0000 C 0 0 1.6532 0.2050 0.0000 C 0 0 0.9371 -0.2069 0.0000 C 0 0 0.9368 -1.0311 0.0000 C 0 0 1.6518 -1.4444 0.0000 C 0 0 2.3655 -0.2046 0.0000 C 0 0 2.3713 -1.0253 0.0000 N 0 0 3.1536 -1.2734 0.0000 N 0 0 3.6313 -0.6059 0.0000 C 0 0 3.1442 0.0545 0.0000 N 0 0 4.4563 -0.6000 0.0000 C 0 0 4.8739 -1.3115 0.0000 F 0 0 4.8637 0.1174 0.0000 F 0 0 5.2792 -0.6000 0.0000 F 0 0 1.6532 -2.2694 0.0000 O 0 0 0.9394 -2.6831 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 1 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 13 2 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946746 > 0 $$$$ CHEMBL1946747 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 0.9417 2.2625 0.0000 N 0 0 0.9417 1.4375 0.0000 N 0 0 1.6537 1.0292 0.0000 C 0 0 2.3657 1.4375 0.0000 C 0 0 2.3657 2.2625 0.0000 C 0 0 1.6537 2.6792 0.0000 C 0 0 1.6537 3.5042 0.0000 O 0 0 3.0796 1.0240 0.0000 C 0 0 1.6532 0.2050 0.0000 C 0 0 0.9371 -0.2069 0.0000 C 0 0 0.9368 -1.0311 0.0000 C 0 0 1.6518 -1.4444 0.0000 C 0 0 2.3655 -0.2046 0.0000 N 0 0 2.3713 -1.0253 0.0000 C 0 0 3.1536 -1.2734 0.0000 N 0 0 3.6313 -0.6059 0.0000 C 0 0 3.1442 0.0545 0.0000 C 0 0 4.4563 -0.6000 0.0000 C 0 0 4.8739 -1.3115 0.0000 F 0 0 4.8637 0.1174 0.0000 F 0 0 5.2792 -0.6000 0.0000 F 0 0 1.6532 -2.2694 0.0000 O 0 0 0.9394 -2.6831 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 1 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 13 1 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946747 > 1 $$$$ CHEMBL1946748 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 6.4631 2.2169 0.0000 N 0 0 6.4631 1.3918 0.0000 N 0 0 7.1752 0.9834 0.0000 C 0 0 7.8872 1.3918 0.0000 C 0 0 7.8872 2.2169 0.0000 C 0 0 7.1752 2.6335 0.0000 C 0 0 7.1752 3.4586 0.0000 O 0 0 8.6012 0.9782 0.0000 C 0 0 7.1748 0.1592 0.0000 C 0 0 6.4586 -0.2527 0.0000 C 0 0 6.4582 -1.0770 0.0000 C 0 0 7.1733 -1.4904 0.0000 C 0 0 7.8870 -0.2505 0.0000 C 0 0 7.8929 -1.0712 0.0000 C 0 0 8.6753 -1.3193 0.0000 N 0 0 9.1530 -0.6519 0.0000 C 0 0 8.6658 0.0086 0.0000 O 0 0 9.9780 -0.6459 0.0000 C 0 0 10.3958 -1.3574 0.0000 F 0 0 10.3855 0.0716 0.0000 F 0 0 10.8010 -0.6459 0.0000 F 0 0 7.1747 -2.3155 0.0000 O 0 0 6.4608 -2.7293 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 2 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 13 1 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946748 > 1 $$$$ CHEMBL1946932 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 11.9833 2.3125 0.0000 N 0 0 11.9833 1.4875 0.0000 N 0 0 12.6954 1.0792 0.0000 C 0 0 13.4074 1.4875 0.0000 C 0 0 13.4074 2.3125 0.0000 C 0 0 12.6954 2.7292 0.0000 C 0 0 12.6954 3.5542 0.0000 O 0 0 14.1212 1.0740 0.0000 C 0 0 12.6949 0.2550 0.0000 C 0 0 11.9788 -0.1569 0.0000 C 0 0 11.9784 -0.9811 0.0000 C 0 0 12.6935 -1.3944 0.0000 C 0 0 13.4071 -0.1546 0.0000 C 0 0 13.4130 -0.9753 0.0000 C 0 0 14.1953 -1.2234 0.0000 O 0 0 14.6730 -0.5559 0.0000 C 0 0 14.1858 0.1045 0.0000 N 0 0 15.4980 -0.5500 0.0000 C 0 0 15.9156 -1.2615 0.0000 F 0 0 15.9053 0.1674 0.0000 F 0 0 16.3208 -0.5500 0.0000 F 0 0 12.6948 -2.2194 0.0000 O 0 0 11.9810 -2.6331 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 2 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 13 1 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946932 > 1 $$$$ CHEMBL1946933 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 18.5434 2.2169 0.0000 N 0 0 18.5434 1.3918 0.0000 N 0 0 19.2555 0.9834 0.0000 C 0 0 19.9675 1.3918 0.0000 C 0 0 19.9675 2.2169 0.0000 C 0 0 19.2555 2.6335 0.0000 C 0 0 19.2555 3.4586 0.0000 O 0 0 20.6815 0.9782 0.0000 C 0 0 19.2550 0.1592 0.0000 C 0 0 18.5388 -0.2527 0.0000 C 0 0 18.5385 -1.0770 0.0000 C 0 0 19.2536 -1.4904 0.0000 C 0 0 19.9673 -0.2505 0.0000 C 0 0 19.9731 -1.0712 0.0000 C 0 0 20.7555 -1.3193 0.0000 N 0 0 21.2333 -0.6519 0.0000 C 0 0 20.7461 0.0086 0.0000 S 0 0 22.0583 -0.6459 0.0000 C 0 0 22.4760 -1.3574 0.0000 F 0 0 22.4658 0.0716 0.0000 F 0 0 22.8813 -0.6459 0.0000 F 0 0 19.2550 -2.3155 0.0000 O 0 0 18.5411 -2.7293 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 2 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 13 1 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946933 > 1 $$$$ CHEMBL1946934 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 -4.7958 -5.1000 0.0000 N 0 0 -4.7958 -5.9250 0.0000 N 0 0 -4.0838 -6.3333 0.0000 C 0 0 -3.3718 -5.9250 0.0000 C 0 0 -3.3718 -5.1000 0.0000 C 0 0 -4.0838 -4.6833 0.0000 C 0 0 -4.0838 -3.8583 0.0000 O 0 0 -2.6579 -6.3385 0.0000 C 0 0 -4.0843 -7.1575 0.0000 C 0 0 -4.8004 -7.5694 0.0000 C 0 0 -4.8007 -8.3936 0.0000 C 0 0 -4.0857 -8.8069 0.0000 C 0 0 -3.3720 -7.5671 0.0000 C 0 0 -3.3662 -8.3878 0.0000 C 0 0 -2.5839 -8.6359 0.0000 S 0 0 -2.1062 -7.9684 0.0000 C 0 0 -2.5933 -7.3080 0.0000 C 0 0 -1.2812 -7.9625 0.0000 C 0 0 -0.8636 -8.6740 0.0000 F 0 0 -0.8738 -7.2451 0.0000 F 0 0 -0.4583 -7.9625 0.0000 F 0 0 -4.0843 -9.6319 0.0000 O 0 0 -4.7981 -10.0456 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 2 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 13 1 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946934 > 1 $$$$ CHEMBL1946935 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 1.0718 -5.0253 0.0000 N 0 0 1.0718 -5.8510 0.0000 N 0 0 1.7845 -6.2598 0.0000 C 0 0 2.4971 -5.8510 0.0000 C 0 0 2.4971 -5.0253 0.0000 C 0 0 1.7845 -4.6083 0.0000 C 0 0 1.7845 -3.7826 0.0000 O 0 0 3.2116 -6.2650 0.0000 C 0 0 1.7840 -7.0846 0.0000 C 0 0 1.0673 -7.4969 0.0000 C 0 0 1.0669 -8.3218 0.0000 C 0 0 1.7826 -8.7356 0.0000 C 0 0 1.7839 -9.5614 0.0000 O 0 0 1.0695 -9.9754 0.0000 C 0 0 2.4966 -7.4942 0.0000 C 0 0 2.5027 -8.3160 0.0000 C 0 0 3.2164 -8.7200 0.0000 N 0 0 3.9245 -8.3030 0.0000 C 0 0 3.9144 -7.4781 0.0000 C 0 0 3.2002 -7.0779 0.0000 C 0 0 4.6439 -8.7085 0.0000 C 0 0 4.6525 -9.5342 0.0000 F 0 0 5.3547 -8.2882 0.0000 F 0 0 5.3548 -9.1207 0.0000 F 0 0 12 16 1 0 15 9 1 0 3 9 1 0 5 6 1 0 12 13 1 0 13 14 1 0 6 7 2 0 1 2 1 0 15 16 1 0 4 8 1 0 16 17 2 0 1 6 1 0 17 18 1 0 2 3 2 0 18 19 2 0 9 10 2 0 19 20 1 0 20 15 2 0 3 4 1 0 18 21 1 0 10 11 1 0 21 22 1 0 4 5 1 0 21 23 1 0 11 12 2 0 21 24 1 0 M END > CHEMBL1946935 > 1 $$$$ CHEMBL1946936 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 -4.1962 -14.0971 0.0000 N 0 0 -4.1962 -14.9222 0.0000 N 0 0 -3.4841 -15.3306 0.0000 C 0 0 -2.7721 -14.9222 0.0000 C 0 0 -2.7721 -14.0971 0.0000 C 0 0 -3.4841 -13.6805 0.0000 C 0 0 -3.4841 -12.8554 0.0000 O 0 0 -2.0581 -15.3358 0.0000 C 0 0 -3.4846 -16.1548 0.0000 C 0 0 -4.2008 -16.5667 0.0000 C 0 0 -4.2011 -17.3910 0.0000 C 0 0 -3.4860 -17.8044 0.0000 C 0 0 -2.7723 -16.5645 0.0000 C 0 0 -2.7665 -17.3852 0.0000 C 0 0 -1.9841 -17.6333 0.0000 N 0 0 -1.5063 -16.9659 0.0000 C 0 0 -1.9935 -16.3054 0.0000 N 0 0 -0.6813 -16.9599 0.0000 C 0 0 -0.2636 -17.6714 0.0000 F 0 0 -0.2738 -16.2424 0.0000 F 0 0 0.1417 -16.9599 0.0000 F 0 0 -3.4846 -18.6295 0.0000 O 0 0 -4.1985 -19.0433 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 2 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 13 1 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946936 > 0 $$$$ CHEMBL1946937 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 1.8002 -14.1556 0.0000 N 0 0 1.8002 -14.9806 0.0000 N 0 0 2.5122 -15.3890 0.0000 C 0 0 3.2243 -14.9806 0.0000 C 0 0 3.2243 -14.1556 0.0000 C 0 0 2.5122 -13.7388 0.0000 C 0 0 2.5122 -12.9137 0.0000 O 0 0 3.9383 -15.3942 0.0000 C 0 0 2.5118 -16.2133 0.0000 C 0 0 1.7957 -16.6251 0.0000 C 0 0 1.7953 -17.4495 0.0000 C 0 0 2.5103 -17.8628 0.0000 C 0 0 3.2241 -16.6229 0.0000 C 0 0 3.2300 -17.4437 0.0000 C 0 0 4.0124 -17.6917 0.0000 O 0 0 4.4901 -17.0242 0.0000 C 0 0 4.0029 -16.3638 0.0000 C 0 0 5.3151 -17.0183 0.0000 C 0 0 5.7328 -17.7299 0.0000 F 0 0 5.7225 -16.3009 0.0000 F 0 0 6.1381 -17.0183 0.0000 F 0 0 2.5117 -18.6879 0.0000 O 0 0 1.7979 -19.1016 0.0000 C 0 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 2 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 13 1 0 1 6 1 0 16 18 1 0 2 3 2 0 18 19 1 0 9 10 2 0 18 20 1 0 3 4 1 0 18 21 1 0 10 11 1 0 12 22 1 0 4 5 1 0 22 23 1 0 M END > CHEMBL1946937 > 0 $$$$ CHEMBL1946938 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 13.4304 -5.5588 0.0000 N 0 0 13.4304 -6.3839 0.0000 N 0 0 14.1425 -6.7923 0.0000 C 0 0 14.8546 -6.3839 0.0000 C 0 0 14.8546 -5.5588 0.0000 C 0 0 14.1425 -5.1422 0.0000 C 0 0 14.1425 -4.3171 0.0000 O 0 0 15.5685 -6.7975 0.0000 C 0 0 14.1420 -7.6165 0.0000 C 0 0 13.4258 -8.0284 0.0000 C 0 0 13.4255 -8.8527 0.0000 C 0 0 14.1406 -9.2662 0.0000 C 0 0 14.8544 -8.0262 0.0000 C 0 0 14.8602 -8.8469 0.0000 N 0 0 15.6425 -9.0950 0.0000 C 0 0 16.1203 -8.4276 0.0000 C 0 0 15.6331 -7.7671 0.0000 C 0 0 16.9454 -8.4216 0.0000 C 0 0 14.1108 -10.0912 0.0000 O 0 0 13.4281 -10.5050 0.0000 C 0 0 17.3630 -9.1331 0.0000 C 0 0 10 11 1 0 4 5 1 0 11 12 2 0 12 14 1 0 13 9 1 0 3 9 1 0 13 14 1 0 5 6 1 0 6 7 2 0 1 2 1 0 4 8 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 13 2 0 1 6 1 0 16 18 1 0 2 3 2 0 12 19 1 0 9 10 2 0 19 20 1 0 3 4 1 0 18 21 1 0 M END > CHEMBL1946938 > 0 $$$$ CHEMBL2017057 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 -2.5204 2.0476 0.0000 C 0 0 -2.5329 1.2208 0.0000 C 0 0 -1.8242 0.7984 0.0000 C 0 0 -1.8034 2.4504 0.0000 C 0 0 -1.0941 2.0317 0.0000 C 0 0 -1.1067 1.1992 0.0000 C 0 0 0.3445 2.0099 0.0000 C 0 0 -0.3708 2.4394 0.0000 C 0 0 0.3319 1.1774 0.0000 N 0 0 -0.3927 0.7776 0.0000 C 0 0 -0.2365 -0.0350 0.0000 C 0 0 0.5848 -0.1376 0.0000 N 0 0 0.9359 0.6117 0.0000 C 0 0 -0.8001 -0.6368 0.0000 C 0 0 -1.6148 -0.5394 0.0000 S 0 0 -1.9649 -1.2860 0.0000 C 0 0 -1.3629 -1.8495 0.0000 N 0 0 -0.6410 -1.4513 0.0000 C 0 0 -2.7745 -1.4416 0.0000 C 0 0 -3.3142 -0.8181 0.0000 O 0 0 -3.0447 -2.2210 0.0000 N 0 0 -3.8694 -2.2225 0.0000 C 0 0 -4.2806 -2.9371 0.0000 C 0 0 -4.2826 -1.5090 0.0000 C 0 0 -2.4543 -2.7960 0.0000 C 0 0 -4.6973 -2.2154 0.0000 C 0 0 -3.2528 0.8189 0.0000 O 0 0 -3.9609 1.2415 0.0000 C 0 0 -3.2288 2.4695 0.0000 O 0 0 -3.2177 3.2939 0.0000 C 0 0 11 14 1 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 19 20 2 0 5 4 2 0 19 21 1 0 4 1 1 0 21 22 1 0 5 6 1 0 22 23 1 0 22 24 1 0 2 3 1 0 21 25 1 0 10 11 2 0 22 26 1 0 11 12 1 0 2 27 1 0 12 13 2 0 27 28 1 0 13 9 1 0 1 29 1 0 3 6 2 0 29 30 1 0 M END > CHEMBL2017057 > 1 $$$$ CHEMBL2017087 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 5.0648 -21.2548 0.0000 C 0 0 3.1800 -18.5084 0.0000 C 0 0 3.1800 -19.3351 0.0000 C 0 0 3.8968 -19.7449 0.0000 C 0 0 3.8968 -18.0974 0.0000 C 0 0 4.6061 -18.5077 0.0000 C 0 0 4.6059 -19.3318 0.0000 C 0 0 6.0361 -18.5087 0.0000 C 0 0 5.3210 -18.0959 0.0000 C 0 0 6.0360 -19.3327 0.0000 N 0 0 5.3198 -19.7449 0.0000 C 0 0 5.4934 -20.5526 0.0000 C 0 0 6.3096 -20.6351 0.0000 N 0 0 6.6524 -19.8900 0.0000 C 0 0 2.4601 -19.7536 0.0000 O 0 0 1.7397 -19.3436 0.0000 C 0 0 2.4592 -18.0992 0.0000 O 0 0 1.7458 -18.5114 0.0000 C 0 0 4.2450 -21.2733 0.0000 S 0 0 4.0047 -22.0597 0.0000 C 0 0 4.6785 -22.5314 0.0000 N 0 0 5.3351 -22.0362 0.0000 C 0 0 5 2 1 0 6 7 1 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 1 19 1 0 10 8 1 0 8 9 1 0 10 11 1 0 6 5 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 1 2 0 M END > CHEMBL2017087 > 1 $$$$ CHEMBL2017058 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 7.8927 -12.4650 0.0000 C 0 0 7.8802 -13.2899 0.0000 C 0 0 8.5873 -13.7113 0.0000 C 0 0 8.6081 -12.0632 0.0000 C 0 0 9.3158 -12.4809 0.0000 C 0 0 9.3032 -13.3115 0.0000 C 0 0 10.7510 -12.5026 0.0000 C 0 0 10.0374 -12.0742 0.0000 C 0 0 10.7384 -13.3332 0.0000 N 0 0 10.0155 -13.7320 0.0000 C 0 0 10.1714 -14.5428 0.0000 C 0 0 10.9907 -14.6452 0.0000 N 0 0 11.3410 -13.8976 0.0000 C 0 0 9.6090 -15.1432 0.0000 C 0 0 8.7963 -15.0460 0.0000 S 0 0 8.4470 -15.7909 0.0000 C 0 0 9.0475 -16.3531 0.0000 N 0 0 9.7678 -15.9558 0.0000 C 0 0 7.1620 -13.6909 0.0000 O 0 0 6.4556 -13.2693 0.0000 C 0 0 7.1859 -12.0441 0.0000 O 0 0 7.1970 -11.2216 0.0000 C 0 0 12.1488 -13.7422 0.0000 C 0 0 2 3 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 3 6 2 0 11 14 1 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 2 19 1 0 9 10 1 0 19 20 1 0 5 4 2 0 1 21 1 0 4 1 1 0 21 22 1 0 5 6 1 0 13 23 1 0 M END > CHEMBL2017058 > 1 $$$$ CHEMBL2017059 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 4.8537 2.6219 0.0000 C 0 0 4.8412 1.7952 0.0000 C 0 0 5.5498 1.3729 0.0000 C 0 0 5.5706 3.0246 0.0000 C 0 0 6.2799 2.6060 0.0000 C 0 0 6.2672 1.7736 0.0000 C 0 0 7.7182 2.5842 0.0000 C 0 0 7.0030 3.0136 0.0000 C 0 0 7.7055 1.7518 0.0000 N 0 0 6.9810 1.3521 0.0000 C 0 0 7.1372 0.5396 0.0000 C 0 0 7.9583 0.4370 0.0000 N 0 0 8.3095 1.1862 0.0000 C 0 0 6.5737 -0.0622 0.0000 C 0 0 5.7591 0.0353 0.0000 S 0 0 5.4092 -0.7112 0.0000 C 0 0 6.0110 -1.2747 0.0000 N 0 0 6.7328 -0.8765 0.0000 C 0 0 4.5842 -0.7152 0.0000 C 0 0 4.1686 -0.0032 0.0000 O 0 0 4.1752 -1.4314 0.0000 N 0 0 4.1214 1.3934 0.0000 O 0 0 3.4135 1.8159 0.0000 C 0 0 4.1454 3.0437 0.0000 O 0 0 4.1565 3.8679 0.0000 C 0 0 3.3510 -1.4295 0.0000 C 0 0 2.9421 -2.1417 0.0000 C 0 0 3.3545 -2.8565 0.0000 O 0 0 4.1802 -2.8545 0.0000 C 0 0 4.5937 -2.1377 0.0000 C 0 0 11 14 1 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 19 20 2 0 5 4 2 0 19 21 1 0 4 1 1 0 2 22 1 0 5 6 1 0 22 23 1 0 1 24 1 0 2 3 1 0 24 25 1 0 21 26 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 3 6 2 0 21 30 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 M END > CHEMBL2017059 > 1 $$$$ CHEMBL2017060 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 11.1550 3.0887 0.0000 C 0 0 11.1425 2.2619 0.0000 C 0 0 11.8512 1.8395 0.0000 C 0 0 11.8720 3.4914 0.0000 C 0 0 12.5813 3.0727 0.0000 C 0 0 12.5687 2.2402 0.0000 C 0 0 14.0199 3.0509 0.0000 C 0 0 13.3047 3.4804 0.0000 C 0 0 14.0073 2.2184 0.0000 N 0 0 13.2827 1.8187 0.0000 C 0 0 13.4389 1.0060 0.0000 C 0 0 14.2601 0.9035 0.0000 N 0 0 14.6113 1.6528 0.0000 C 0 0 12.8753 0.4043 0.0000 C 0 0 12.0606 0.5017 0.0000 S 0 0 11.7106 -0.2449 0.0000 C 0 0 12.3125 -0.8085 0.0000 N 0 0 13.0344 -0.4102 0.0000 C 0 0 10.8855 -0.2489 0.0000 C 0 0 10.4697 0.4631 0.0000 O 0 0 10.4764 -0.9652 0.0000 N 0 0 10.4226 1.8600 0.0000 O 0 0 9.7146 2.2826 0.0000 C 0 0 10.4466 3.5105 0.0000 O 0 0 10.4576 4.3350 0.0000 C 0 0 9.6243 -0.9088 0.0000 C 0 0 9.0927 -1.5154 0.0000 C 0 0 10.9398 -1.6495 0.0000 C 0 0 10.6824 -2.4314 0.0000 C 0 0 9.8771 -2.7298 0.0000 O 0 0 9.2010 -2.3198 0.0000 C 0 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 19 20 2 0 5 4 2 0 19 21 1 0 4 1 1 0 2 22 1 0 5 6 1 0 22 23 1 0 1 24 1 0 2 3 1 0 24 25 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 3 6 2 0 11 14 1 0 21 26 1 0 26 27 1 0 21 28 1 0 29 30 1 0 30 31 1 0 31 27 1 0 28 29 1 0 M END > CHEMBL2017060 > 1 $$$$ CHEMBL2017061 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 18.3288 2.5305 0.0000 C 0 0 18.3164 1.7038 0.0000 C 0 0 19.0250 1.2814 0.0000 C 0 0 19.0459 2.9332 0.0000 C 0 0 19.7551 2.5146 0.0000 C 0 0 19.7425 1.6821 0.0000 C 0 0 21.1936 2.4928 0.0000 C 0 0 20.4784 2.9222 0.0000 C 0 0 21.1810 1.6603 0.0000 N 0 0 20.4565 1.2607 0.0000 C 0 0 20.6127 0.4480 0.0000 C 0 0 21.4339 0.3455 0.0000 N 0 0 21.7849 1.0947 0.0000 C 0 0 20.0490 -0.1538 0.0000 C 0 0 19.2345 -0.0564 0.0000 S 0 0 18.8844 -0.8028 0.0000 C 0 0 19.4863 -1.3664 0.0000 N 0 0 20.2081 -0.9681 0.0000 C 0 0 18.0593 -0.8069 0.0000 C 0 0 17.6437 -0.0948 0.0000 O 0 0 17.6504 -1.5232 0.0000 N 0 0 17.5965 1.3020 0.0000 O 0 0 16.8885 1.7245 0.0000 C 0 0 17.6205 2.9523 0.0000 O 0 0 17.6316 3.7767 0.0000 C 0 0 16.8259 -1.5271 0.0000 C 0 0 16.4163 -0.8144 0.0000 C 0 0 15.5954 -0.8164 0.0000 C 0 0 15.1828 -1.5305 0.0000 O 0 0 15.5972 -2.2444 0.0000 C 0 0 16.4243 -2.2441 0.0000 C 0 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 19 20 2 0 5 4 2 0 19 21 1 0 4 1 1 0 2 22 1 0 5 6 1 0 22 23 1 0 1 24 1 0 2 3 1 0 24 25 1 0 10 11 2 0 21 26 1 0 26 27 1 0 11 12 1 0 12 13 2 0 13 9 1 0 3 6 2 0 11 14 1 0 26 31 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 M END > CHEMBL2017061 > 1 $$$$ CHEMBL2017062 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 -2.4717 -5.4257 0.0000 C 0 0 -2.4842 -6.2530 0.0000 C 0 0 -1.7751 -6.6755 0.0000 C 0 0 -1.7543 -5.0228 0.0000 C 0 0 -1.0446 -5.4416 0.0000 C 0 0 -1.0572 -6.2746 0.0000 C 0 0 0.3947 -5.4634 0.0000 C 0 0 -0.3210 -5.0338 0.0000 C 0 0 0.3821 -6.2964 0.0000 N 0 0 -0.3429 -6.6963 0.0000 C 0 0 -0.1866 -7.5094 0.0000 C 0 0 0.6350 -7.6121 0.0000 N 0 0 0.9863 -6.8623 0.0000 C 0 0 -0.7505 -8.1115 0.0000 C 0 0 -1.5656 -8.0140 0.0000 S 0 0 -1.9158 -8.7610 0.0000 C 0 0 -1.3136 -9.3248 0.0000 N 0 0 -0.5913 -8.9263 0.0000 C 0 0 -2.7414 -8.7650 0.0000 C 0 0 -3.1572 -8.0525 0.0000 O 0 0 -3.1505 -9.4817 0.0000 N 0 0 -3.2044 -6.6550 0.0000 O 0 0 -3.9129 -6.2323 0.0000 C 0 0 -3.1804 -5.0037 0.0000 O 0 0 -3.1693 -4.1788 0.0000 C 0 0 -3.9755 -9.4856 0.0000 C 0 0 -4.3773 -10.2029 0.0000 C 0 0 -5.1968 -10.2094 0.0000 C 0 0 -5.5984 -10.9259 0.0000 C 0 0 -5.1781 -11.6335 0.0000 C 0 0 -4.3517 -11.6201 0.0000 C 0 0 -3.9537 -10.9031 0.0000 C 0 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 19 20 2 0 5 4 2 0 19 21 1 0 4 1 1 0 2 22 1 0 5 6 1 0 22 23 1 0 1 24 1 0 2 3 1 0 24 25 1 0 10 11 2 0 21 26 1 0 11 12 1 0 26 27 1 0 12 13 2 0 27 28 2 0 13 9 1 0 28 29 1 0 3 6 2 0 29 30 2 0 11 14 1 0 30 31 1 0 14 15 1 0 31 32 2 0 32 27 1 0 M END > CHEMBL2017062 > 0 $$$$ CHEMBL2017064 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 9.8067 -5.7952 0.0000 C 0 0 9.7943 -6.6209 0.0000 C 0 0 10.5021 -7.0429 0.0000 C 0 0 10.5229 -5.3929 0.0000 C 0 0 11.2313 -5.8111 0.0000 C 0 0 11.2188 -6.6426 0.0000 C 0 0 12.6682 -5.8328 0.0000 C 0 0 11.9539 -5.4039 0.0000 C 0 0 12.6556 -6.6644 0.0000 N 0 0 11.9319 -7.0636 0.0000 C 0 0 12.0879 -7.8753 0.0000 C 0 0 12.9082 -7.9778 0.0000 N 0 0 13.2590 -7.2294 0.0000 C 0 0 11.5250 -8.4765 0.0000 C 0 0 10.7112 -8.3791 0.0000 S 0 0 10.3617 -9.1247 0.0000 C 0 0 10.9628 -9.6877 0.0000 N 0 0 11.6838 -9.2898 0.0000 C 0 0 9.5375 -9.1288 0.0000 C 0 0 9.0751 -7.0223 0.0000 O 0 0 8.3680 -6.6003 0.0000 C 0 0 9.0991 -5.3738 0.0000 O 0 0 9.1102 -4.5504 0.0000 C 0 0 9.1222 -8.4176 0.0000 O 0 0 2 3 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 3 6 2 0 11 14 1 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 2 20 1 0 5 4 2 0 20 21 1 0 4 1 1 0 1 22 1 0 5 6 1 0 22 23 1 0 19 24 1 0 M END > CHEMBL2017064 > 1 $$$$ CHEMBL2017065 SciTegic12291823182D 28 32 0 0 0 0 999 V2000 15.7161 -5.2929 0.0000 C 0 0 15.7037 -6.1182 0.0000 C 0 0 16.4111 -6.5399 0.0000 C 0 0 16.4319 -4.8909 0.0000 C 0 0 17.1400 -5.3088 0.0000 C 0 0 17.1274 -6.1399 0.0000 C 0 0 18.5760 -5.3306 0.0000 C 0 0 17.8620 -4.9019 0.0000 C 0 0 18.5634 -6.1616 0.0000 N 0 0 17.8401 -6.5606 0.0000 C 0 0 17.9961 -7.3719 0.0000 C 0 0 18.8158 -7.4742 0.0000 N 0 0 19.1663 -6.7263 0.0000 C 0 0 17.4334 -7.9726 0.0000 C 0 0 16.6202 -7.8754 0.0000 S 0 0 16.2707 -8.6205 0.0000 C 0 0 16.8716 -9.1832 0.0000 N 0 0 17.5922 -8.7855 0.0000 C 0 0 15.4471 -8.6246 0.0000 N 0 0 14.9850 -6.5194 0.0000 O 0 0 14.2782 -6.0976 0.0000 C 0 0 15.0090 -4.8718 0.0000 O 0 0 15.0201 -4.0489 0.0000 C 0 0 15.0348 -7.9144 0.0000 C 0 0 14.2148 -7.9165 0.0000 C 0 0 13.8025 -8.6300 0.0000 O 0 0 14.2167 -9.3431 0.0000 C 0 0 15.0429 -9.3427 0.0000 C 0 0 13 9 1 0 3 6 2 0 11 14 1 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 2 20 1 0 5 4 2 0 20 21 1 0 4 1 1 0 1 22 1 0 5 6 1 0 22 23 1 0 19 24 1 0 2 3 1 0 10 11 2 0 11 12 1 0 12 13 2 0 19 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M END > CHEMBL2017065 > 1 $$$$ CHEMBL2017066 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 -4.3169 -13.5438 0.0000 C 0 0 -4.3294 -14.3701 0.0000 C 0 0 -3.6211 -14.7923 0.0000 C 0 0 -3.6002 -13.1414 0.0000 C 0 0 -2.8913 -13.5598 0.0000 C 0 0 -2.9039 -14.3918 0.0000 C 0 0 -1.4536 -13.5816 0.0000 C 0 0 -2.1685 -13.1524 0.0000 C 0 0 -1.4662 -14.4136 0.0000 N 0 0 -2.1904 -14.8130 0.0000 C 0 0 -2.0342 -15.6253 0.0000 C 0 0 -1.2135 -15.7278 0.0000 N 0 0 -0.8626 -14.9788 0.0000 C 0 0 -2.5976 -16.2267 0.0000 C 0 0 -3.4117 -16.1293 0.0000 S 0 0 -3.7616 -16.8754 0.0000 C 0 0 -3.1600 -17.4388 0.0000 N 0 0 -2.4386 -17.0407 0.0000 C 0 0 -4.5863 -16.8794 0.0000 C 0 0 -4.9950 -17.5954 0.0000 N 0 0 -5.0488 -14.7718 0.0000 O 0 0 -5.7565 -14.3495 0.0000 C 0 0 -5.0249 -13.1223 0.0000 O 0 0 -5.0138 -12.2982 0.0000 C 0 0 -5.8189 -17.5935 0.0000 C 0 0 -6.2330 -18.3054 0.0000 C 0 0 -5.8155 -19.0199 0.0000 O 0 0 -4.9901 -19.0179 0.0000 C 0 0 -4.5768 -18.3015 0.0000 C 0 0 3 6 2 0 11 14 1 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 19 20 1 0 5 4 2 0 2 21 1 0 4 1 1 0 21 22 1 0 5 6 1 0 1 23 1 0 23 24 1 0 20 25 1 0 2 3 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 20 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > CHEMBL2017066 > 1 $$$$ CHEMBL2017067 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 2.0143 -12.5598 0.0000 C 0 0 2.0018 -13.3865 0.0000 C 0 0 2.7105 -13.8089 0.0000 C 0 0 2.7313 -12.1571 0.0000 C 0 0 3.4406 -12.5757 0.0000 C 0 0 3.4280 -13.4082 0.0000 C 0 0 4.8791 -12.5975 0.0000 C 0 0 4.1638 -12.1681 0.0000 C 0 0 4.8665 -13.4300 0.0000 N 0 0 4.1419 -13.8296 0.0000 C 0 0 4.2981 -14.6423 0.0000 C 0 0 5.1193 -14.7448 0.0000 N 0 0 5.4704 -13.9956 0.0000 C 0 0 3.7345 -15.2441 0.0000 C 0 0 2.9199 -15.1467 0.0000 S 0 0 2.5699 -15.8931 0.0000 C 0 0 3.1718 -16.4567 0.0000 N 0 0 3.8936 -16.0584 0.0000 C 0 0 1.7448 -15.8972 0.0000 C 0 0 1.3358 -16.6135 0.0000 N 0 0 1.2820 -13.7884 0.0000 O 0 0 0.5739 -13.3658 0.0000 C 0 0 1.3060 -12.1380 0.0000 O 0 0 1.3171 -11.3136 0.0000 C 0 0 0.4989 -16.4423 0.0000 C 0 0 -0.1102 -16.9710 0.0000 C 0 0 1.7014 -17.3548 0.0000 C 0 0 1.3402 -18.0943 0.0000 C 0 0 0.5019 -18.2807 0.0000 O 0 0 -0.1122 -17.7825 0.0000 C 0 0 11 14 1 0 14 15 1 0 1 2 2 0 5 8 1 0 6 10 1 0 9 7 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 14 2 0 7 8 1 0 16 19 1 0 9 10 1 0 19 20 1 0 5 4 2 0 2 21 1 0 4 1 1 0 21 22 1 0 5 6 1 0 1 23 1 0 23 24 1 0 2 3 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 3 6 2 0 20 25 1 0 25 26 1 0 20 27 1 0 28 29 1 0 29 30 1 0 30 26 1 0 27 28 1 0 M END > CHEMBL2017067 > 1 $$$$ CHEMBL2017069 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 22.4731 -16.2381 0.0000 O 0 0 21.6902 -16.4981 0.0000 C 0 0 21.2031 -15.8309 0.0000 N 0 0 21.6849 -15.1641 0.0000 C 0 0 22.4699 -15.4138 0.0000 C 0 0 20.7487 -12.7325 0.0000 C 0 0 20.7362 -13.5591 0.0000 C 0 0 21.4448 -13.9814 0.0000 C 0 0 21.4656 -12.3299 0.0000 C 0 0 22.1748 -12.7484 0.0000 C 0 0 22.1622 -13.5808 0.0000 C 0 0 23.6130 -12.7702 0.0000 C 0 0 22.8979 -12.3409 0.0000 C 0 0 23.6004 -13.6025 0.0000 N 0 0 22.8760 -14.0021 0.0000 C 0 0 23.0322 -14.8146 0.0000 C 0 0 23.8532 -14.9172 0.0000 N 0 0 24.2042 -14.1681 0.0000 C 0 0 20.0165 -13.9608 0.0000 O 0 0 19.3086 -13.5384 0.0000 C 0 0 20.0405 -12.3108 0.0000 O 0 0 20.0516 -11.4866 0.0000 C 0 0 1 5 1 0 1 2 1 0 10 13 1 0 11 15 1 0 14 12 1 0 12 13 1 0 14 15 1 0 6 7 2 0 2 3 2 0 7 8 1 0 8 11 2 0 3 4 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 14 1 0 10 9 2 0 7 19 1 0 9 6 1 0 19 20 1 0 10 11 1 0 6 21 1 0 4 5 2 0 21 22 1 0 16 5 1 0 M END > CHEMBL2017069 > 1 $$$$ CHEMBL2017075 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 4.3739 -0.0994 0.0000 C 0 0 2.4888 2.6469 0.0000 C 0 0 2.4888 1.8202 0.0000 C 0 0 3.2057 1.4104 0.0000 C 0 0 3.2057 3.0579 0.0000 C 0 0 3.9149 2.6476 0.0000 C 0 0 3.9148 1.8236 0.0000 C 0 0 5.3450 2.6467 0.0000 C 0 0 4.6298 3.0594 0.0000 C 0 0 5.3448 1.8226 0.0000 N 0 0 4.6287 1.4105 0.0000 C 0 0 4.8022 0.6027 0.0000 C 0 0 5.6185 0.5203 0.0000 N 0 0 5.9612 1.2654 0.0000 C 0 0 1.7690 1.4018 0.0000 O 0 0 1.0485 1.8118 0.0000 C 0 0 1.7680 3.0562 0.0000 O 0 0 1.0546 2.6439 0.0000 C 0 0 3.5489 -0.0820 0.0000 C 0 0 3.1176 -0.7848 0.0000 C 0 0 3.5126 -1.5128 0.0000 C 0 0 4.3395 -1.5264 0.0000 C 0 0 4.7635 -0.8250 0.0000 C 0 0 4.7385 -2.2478 0.0000 Cl 0 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 6 7 1 0 22 24 1 0 M END > CHEMBL2017075 > 1 $$$$ CHEMBL2017078 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -1.7342 -6.3493 0.0000 C 0 0 -3.6195 -3.6030 0.0000 C 0 0 -3.6195 -4.4296 0.0000 C 0 0 -2.9024 -4.8395 0.0000 C 0 0 -2.9024 -3.1920 0.0000 C 0 0 -2.1932 -3.6022 0.0000 C 0 0 -2.1933 -4.4263 0.0000 C 0 0 -0.7631 -3.6032 0.0000 C 0 0 -1.4783 -3.1905 0.0000 C 0 0 -0.7633 -4.4273 0.0000 N 0 0 -1.4794 -4.8394 0.0000 C 0 0 -1.3059 -5.6473 0.0000 C 0 0 -0.4896 -5.7296 0.0000 N 0 0 -0.1468 -4.9845 0.0000 C 0 0 -4.3393 -4.8481 0.0000 O 0 0 -5.0598 -4.4381 0.0000 C 0 0 -4.3403 -3.1937 0.0000 O 0 0 -5.0537 -3.6060 0.0000 C 0 0 -2.5593 -6.3320 0.0000 C 0 0 -2.9906 -7.0348 0.0000 C 0 0 -2.5956 -7.7628 0.0000 C 0 0 -1.7686 -7.7765 0.0000 C 0 0 -1.3446 -7.0750 0.0000 C 0 0 -1.3696 -8.4979 0.0000 O 0 0 -1.7948 -9.2042 0.0000 C 0 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 6 7 1 0 22 24 1 0 24 25 1 0 M END > CHEMBL2017078 > 1 $$$$ CHEMBL2016583 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 10.5486 -6.7695 0.0000 C 0 0 8.6634 -4.0232 0.0000 C 0 0 8.6634 -4.8499 0.0000 C 0 0 9.3803 -5.2597 0.0000 C 0 0 9.3803 -3.6123 0.0000 C 0 0 10.0896 -4.0226 0.0000 C 0 0 10.0894 -4.8465 0.0000 C 0 0 11.5196 -4.0234 0.0000 C 0 0 10.8045 -3.6108 0.0000 C 0 0 11.5195 -4.8475 0.0000 N 0 0 10.8033 -5.2596 0.0000 C 0 0 10.9769 -6.0675 0.0000 C 0 0 11.7931 -6.1498 0.0000 N 0 0 12.1359 -5.4047 0.0000 C 0 0 7.9436 -5.2683 0.0000 O 0 0 7.2232 -4.8583 0.0000 C 0 0 7.9427 -3.6139 0.0000 O 0 0 7.2293 -4.0262 0.0000 C 0 0 9.7236 -6.7521 0.0000 C 0 0 9.2922 -7.4549 0.0000 C 0 0 9.6873 -8.1829 0.0000 C 0 0 10.5141 -8.1965 0.0000 C 0 0 10.9382 -7.4951 0.0000 C 0 0 10.9132 -8.9179 0.0000 Br 0 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 6 7 1 0 22 24 1 0 M END > CHEMBL2016583 > 1 $$$$ CHEMBL2017080 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 16.2861 -6.5839 0.0000 C 0 0 14.4005 -3.8369 0.0000 C 0 0 14.4005 -4.6638 0.0000 C 0 0 15.1176 -5.0737 0.0000 C 0 0 15.1176 -3.4258 0.0000 C 0 0 15.8270 -3.8362 0.0000 C 0 0 15.8268 -4.6604 0.0000 C 0 0 17.2574 -3.8371 0.0000 C 0 0 16.5421 -3.4243 0.0000 C 0 0 17.2573 -4.6614 0.0000 N 0 0 16.5409 -5.0736 0.0000 C 0 0 16.7145 -5.8816 0.0000 C 0 0 17.5309 -5.9640 0.0000 N 0 0 17.8739 -5.2187 0.0000 C 0 0 13.6805 -5.0823 0.0000 O 0 0 12.9599 -4.6722 0.0000 C 0 0 13.6796 -3.4275 0.0000 O 0 0 12.9660 -3.8399 0.0000 C 0 0 15.4609 -6.5665 0.0000 C 0 0 15.0294 -7.2695 0.0000 C 0 0 15.4246 -7.9976 0.0000 C 0 0 16.2516 -8.0112 0.0000 C 0 0 16.6758 -7.3097 0.0000 C 0 0 16.6508 -8.7328 0.0000 O 0 0 17.4753 -8.7479 0.0000 C 0 0 17.8745 -9.4694 0.0000 C 0 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 6 7 1 0 22 24 1 0 24 25 1 0 3 4 1 0 25 26 1 0 M END > CHEMBL2017080 > 1 $$$$ CHEMBL2017081 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 23.0227 -5.7411 0.0000 C 0 0 21.1376 -2.9948 0.0000 C 0 0 21.1376 -3.8215 0.0000 C 0 0 21.8546 -4.2313 0.0000 C 0 0 21.8546 -2.5838 0.0000 C 0 0 22.5638 -2.9941 0.0000 C 0 0 22.5637 -3.8182 0.0000 C 0 0 23.9938 -2.9951 0.0000 C 0 0 23.2786 -2.5823 0.0000 C 0 0 23.9936 -3.8191 0.0000 N 0 0 23.2775 -4.2313 0.0000 C 0 0 23.4510 -5.0390 0.0000 C 0 0 24.2673 -5.1214 0.0000 N 0 0 24.6101 -4.3764 0.0000 C 0 0 20.4178 -4.2400 0.0000 O 0 0 19.6974 -3.8300 0.0000 C 0 0 20.4168 -2.5856 0.0000 O 0 0 19.7035 -2.9978 0.0000 C 0 0 22.1977 -5.7238 0.0000 C 0 0 21.7664 -6.4265 0.0000 C 0 0 22.1614 -7.1545 0.0000 C 0 0 22.9883 -7.1681 0.0000 C 0 0 23.4123 -6.4667 0.0000 C 0 0 23.3874 -7.8895 0.0000 N 0 0 22.9656 -8.5944 0.0000 C 0 0 23.3612 -9.3136 0.0000 C 0 0 24.1857 -9.3329 0.0000 O 0 0 24.6131 -8.6268 0.0000 C 0 0 24.2159 -7.9014 0.0000 C 0 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 6 7 1 0 22 24 1 0 24 25 1 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 M END > CHEMBL2017081 > 1 $$$$ CHEMBL2017083 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 4.7781 -13.8568 0.0000 C 0 0 2.8929 -11.1104 0.0000 C 0 0 2.8929 -11.9371 0.0000 C 0 0 3.6098 -12.3470 0.0000 C 0 0 3.6098 -10.6994 0.0000 C 0 0 4.3191 -11.1096 0.0000 C 0 0 4.3189 -11.9338 0.0000 C 0 0 5.7491 -11.1106 0.0000 C 0 0 5.0340 -10.6979 0.0000 C 0 0 5.7490 -11.9348 0.0000 N 0 0 5.0328 -12.3469 0.0000 C 0 0 5.2064 -13.1547 0.0000 C 0 0 6.0226 -13.2371 0.0000 N 0 0 6.3655 -12.4920 0.0000 C 0 0 2.1729 -12.3556 0.0000 O 0 0 1.4525 -11.9456 0.0000 C 0 0 2.1720 -10.7011 0.0000 O 0 0 1.4586 -11.1134 0.0000 C 0 0 3.9530 -13.8395 0.0000 C 0 0 3.5216 -14.5422 0.0000 C 0 0 3.9168 -15.2702 0.0000 C 0 0 4.7436 -15.2839 0.0000 N 0 0 5.1677 -14.5825 0.0000 C 0 0 6 7 1 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 M END > CHEMBL2017083 > 1 $$$$ CHEMBL2017086 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 -1.4801 -20.5344 0.0000 C 0 0 -3.3652 -17.7882 0.0000 C 0 0 -3.3652 -18.6148 0.0000 C 0 0 -2.6484 -19.0246 0.0000 C 0 0 -2.6484 -17.3772 0.0000 C 0 0 -1.9391 -17.7875 0.0000 C 0 0 -1.9393 -18.6115 0.0000 C 0 0 -0.5091 -17.7884 0.0000 C 0 0 -1.2242 -17.3757 0.0000 C 0 0 -0.5092 -18.6125 0.0000 N 0 0 -1.2254 -19.0245 0.0000 C 0 0 -1.0518 -19.8324 0.0000 C 0 0 -0.2356 -19.9147 0.0000 N 0 0 0.1072 -19.1696 0.0000 C 0 0 -4.0851 -19.0332 0.0000 O 0 0 -4.8055 -18.6232 0.0000 C 0 0 -4.0860 -17.3789 0.0000 O 0 0 -4.7994 -17.7912 0.0000 C 0 0 -2.3051 -20.5171 0.0000 C 0 0 -2.7365 -21.2198 0.0000 C 0 0 -2.3414 -21.9478 0.0000 C 0 0 -1.5146 -21.9614 0.0000 N 0 0 -1.0905 -21.2600 0.0000 C 0 0 0.9147 -19.0041 0.0000 C 0 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 6 7 1 0 14 24 1 0 M END > CHEMBL2017086 > 1 $$$$ CHEMBL2017085 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 16.5358 -13.8476 0.0000 C 0 0 14.6508 -11.1014 0.0000 C 0 0 14.6508 -11.9281 0.0000 C 0 0 15.3676 -12.3379 0.0000 C 0 0 15.3676 -10.6904 0.0000 C 0 0 16.0768 -11.1007 0.0000 C 0 0 16.0767 -11.9248 0.0000 C 0 0 17.5069 -11.1017 0.0000 C 0 0 16.7917 -10.6889 0.0000 C 0 0 17.5068 -11.9257 0.0000 N 0 0 16.7906 -12.3379 0.0000 C 0 0 16.9642 -13.1456 0.0000 C 0 0 17.7804 -13.2280 0.0000 N 0 0 18.1231 -12.4829 0.0000 C 0 0 13.9309 -12.3465 0.0000 O 0 0 13.2105 -11.9365 0.0000 C 0 0 13.9299 -10.6922 0.0000 O 0 0 13.2165 -11.1044 0.0000 C 0 0 15.7109 -13.8304 0.0000 C 0 0 15.2795 -14.5330 0.0000 N 0 0 15.6745 -15.2610 0.0000 C 0 0 16.5014 -15.2747 0.0000 N 0 0 16.9254 -14.5732 0.0000 C 0 0 6 7 1 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 M END > CHEMBL2017085 > 0 $$$$ CHEMBL2017088 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 11.9864 -20.3693 0.0000 C 0 0 10.1012 -17.6229 0.0000 C 0 0 10.1012 -18.4496 0.0000 C 0 0 10.8181 -18.8595 0.0000 C 0 0 10.8181 -17.2119 0.0000 C 0 0 11.5274 -17.6221 0.0000 C 0 0 11.5272 -18.4463 0.0000 C 0 0 12.9574 -17.6231 0.0000 C 0 0 12.2423 -17.2104 0.0000 C 0 0 12.9573 -18.4473 0.0000 N 0 0 12.2411 -18.8594 0.0000 C 0 0 12.4147 -19.6672 0.0000 C 0 0 13.2309 -19.7496 0.0000 N 0 0 13.5738 -19.0045 0.0000 C 0 0 9.3812 -18.8681 0.0000 O 0 0 8.6608 -18.4581 0.0000 C 0 0 9.3803 -17.2136 0.0000 O 0 0 8.6669 -17.6259 0.0000 C 0 0 11.1613 -20.3520 0.0000 C 0 0 10.7299 -21.0547 0.0000 C 0 0 11.1251 -21.7827 0.0000 C 0 0 11.9519 -21.7964 0.0000 N 0 0 12.3760 -21.0950 0.0000 C 0 0 13.6719 -17.2106 0.0000 C 0 0 6 7 1 0 3 4 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 10 1 0 4 7 2 0 3 15 1 0 2 3 2 0 15 16 1 0 6 9 1 0 2 17 1 0 7 11 1 0 17 18 1 0 12 1 1 0 10 8 1 0 1 19 2 0 8 9 1 0 19 20 1 0 10 11 1 0 20 21 2 0 6 5 2 0 21 22 1 0 5 2 1 0 22 23 2 0 23 1 1 0 8 24 1 0 M END > CHEMBL2017088 > 0 $$$$ CHEMBL2019021 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 7.2339 -0.3623 0.0000 C 0 0 7.9456 0.0458 0.0000 N 0 0 7.9456 0.8704 0.0000 C 0 0 7.2339 1.2869 0.0000 N 0 0 6.5222 0.0458 0.0000 C 0 0 6.5222 0.8750 0.0000 C 0 0 5.7336 1.1313 0.0000 S 0 0 5.2461 0.4605 0.0000 N 0 0 5.7335 -0.2103 0.0000 C 0 0 7.2339 -1.1870 0.0000 O 0 0 5.4783 -0.9973 0.0000 C 0 0 4.6704 -1.1669 0.0000 C 0 0 4.4147 -1.9472 0.0000 C 0 0 4.9636 -2.5631 0.0000 C 0 0 5.7716 -2.3935 0.0000 C 0 0 6.0307 -1.6078 0.0000 C 0 0 8.6573 1.2786 0.0000 C 0 0 9.3706 0.8624 0.0000 C 0 0 10.0854 1.2721 0.0000 C 0 0 10.0882 2.0975 0.0000 C 0 0 9.3704 2.5118 0.0000 C 0 0 8.6584 2.0999 0.0000 C 0 0 7.9456 2.5142 0.0000 O 0 0 7.2314 2.1020 0.0000 C 0 0 10.8031 2.5087 0.0000 N 0 0 6 4 1 0 5 1 1 0 1 2 1 0 2 3 1 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 9 11 1 0 6 7 1 0 7 8 1 0 17 18 2 0 8 9 2 0 18 19 1 0 9 5 1 0 19 20 2 0 3 4 2 0 20 21 1 0 1 10 2 0 21 22 2 0 22 17 1 0 3 17 1 0 11 12 1 0 5 6 2 0 23 24 1 0 22 23 1 0 20 25 1 0 M END > CHEMBL2019021 > 0 $$$$ CHEMBL2019104 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 6.8543 -8.6279 0.0000 C 0 0 7.5655 -8.2200 0.0000 N 0 0 7.5655 -7.3959 0.0000 C 0 0 6.8543 -6.9797 0.0000 N 0 0 6.1431 -8.2200 0.0000 C 0 0 6.1431 -7.3913 0.0000 C 0 0 5.3551 -7.1352 0.0000 S 0 0 4.8680 -7.8056 0.0000 N 0 0 5.3550 -8.4759 0.0000 C 0 0 6.8543 -9.4519 0.0000 O 0 0 5.1000 -9.2623 0.0000 C 0 0 4.2926 -9.4319 0.0000 C 0 0 4.0371 -10.2116 0.0000 C 0 0 4.5856 -10.8271 0.0000 C 0 0 5.3931 -10.6576 0.0000 C 0 0 5.6520 -9.8725 0.0000 C 0 0 8.2768 -6.9880 0.0000 C 0 0 8.9896 -7.4039 0.0000 C 0 0 9.7040 -6.9946 0.0000 C 0 0 9.7068 -6.1697 0.0000 C 0 0 8.9894 -5.7557 0.0000 C 0 0 8.2778 -6.1673 0.0000 C 0 0 7.5655 -5.7533 0.0000 O 0 0 6.8518 -6.1652 0.0000 C 0 0 10.4212 -5.7588 0.0000 N 0 0 10.3617 -4.9416 0.0000 C 0 0 10.9668 -4.3794 0.0000 C 0 0 11.1030 -6.2253 0.0000 C 0 0 11.7809 -4.4986 0.0000 N 0 0 11.8916 -5.9814 0.0000 C 0 0 12.1904 -5.2124 0.0000 C 0 0 13 14 1 0 14 15 1 0 15 16 1 0 9 11 1 0 6 7 1 0 7 8 1 0 17 18 2 0 8 9 2 0 18 19 1 0 9 5 1 0 19 20 2 0 3 4 2 0 20 21 1 0 1 10 2 0 21 22 2 0 22 17 1 0 3 17 1 0 11 12 1 0 5 6 2 0 23 24 1 0 22 23 1 0 20 25 1 0 6 4 1 0 25 26 1 0 5 1 1 0 26 27 1 0 1 2 1 0 25 28 1 0 2 3 1 0 27 29 1 0 11 16 1 0 28 30 1 0 12 13 1 0 29 31 1 0 30 31 1 0 M END > CHEMBL2019104 > 0 $$$$ CHEMBL2019112 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 19.1079 -25.6681 0.0000 C 0 0 19.8196 -25.2599 0.0000 N 0 0 19.8196 -24.4352 0.0000 C 0 0 19.1079 -24.0188 0.0000 N 0 0 18.3963 -25.2599 0.0000 C 0 0 18.3963 -24.4307 0.0000 C 0 0 17.6076 -24.1744 0.0000 S 0 0 17.1201 -24.8453 0.0000 N 0 0 17.6076 -25.5161 0.0000 C 0 0 19.1079 -26.4928 0.0000 O 0 0 17.3524 -26.3029 0.0000 C 0 0 16.5444 -26.4727 0.0000 C 0 0 16.2888 -27.2529 0.0000 C 0 0 16.8376 -27.8689 0.0000 C 0 0 17.6456 -27.6991 0.0000 C 0 0 17.9048 -26.9135 0.0000 C 0 0 20.5313 -24.0271 0.0000 C 0 0 21.2446 -24.4432 0.0000 C 0 0 21.9594 -24.0337 0.0000 C 0 0 21.9623 -23.2082 0.0000 C 0 0 21.2443 -22.7940 0.0000 C 0 0 20.5324 -23.2059 0.0000 C 0 0 19.8196 -22.7915 0.0000 O 0 0 19.1053 -23.2037 0.0000 C 0 0 22.6771 -22.7971 0.0000 N 0 0 23.3859 -23.2146 0.0000 C 0 0 24.0986 -22.8069 0.0000 C 0 0 24.1042 -21.9819 0.0000 N 0 0 23.3909 -21.5663 0.0000 C 0 0 22.6719 -21.9756 0.0000 C 0 0 24.8206 -21.5735 0.0000 C 0 0 25.5325 -21.9896 0.0000 C 0 0 24.8250 -20.7488 0.0000 O 0 0 15 16 1 0 9 11 1 0 6 7 1 0 7 8 1 0 17 18 2 0 8 9 2 0 18 19 1 0 9 5 1 0 19 20 2 0 3 4 2 0 20 21 1 0 1 10 2 0 21 22 2 0 22 17 1 0 3 17 1 0 11 12 1 0 5 6 2 0 23 24 1 0 22 23 1 0 20 25 1 0 25 26 1 0 6 4 1 0 5 1 1 0 1 2 1 0 2 3 1 0 11 16 1 0 25 30 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 12 13 1 0 28 31 1 0 13 14 1 0 31 32 1 0 14 15 1 0 31 33 2 0 M END > CHEMBL2019112 > 0 $$$$ CHEMBL284745 SciTegic12291823182D 42 48 0 0 1 0 999 V2000 7.3167 -1.1625 0.0000 N 0 0 5.9000 -1.1625 0.0000 C 0 0 5.9000 -0.3250 0.0000 C 0 0 8.7500 -0.3375 0.0000 N 0 0 6.6125 -1.5667 0.0000 C 0 0 1 0 0 0 7.3250 -0.3375 0.0000 C 0 0 1 0 0 0 8.0375 0.0750 0.0000 C 0 0 8.0292 -1.5750 0.0000 C 0 0 5.1125 -1.4125 0.0000 N 0 0 8.7500 -1.1625 0.0000 C 0 0 6.6125 0.0833 0.0000 C 0 0 6.6042 -2.3917 0.0000 C 0 0 5.1125 -0.0750 0.0000 C 0 0 4.6250 -0.7417 0.0000 C 0 0 9.4625 0.0708 0.0000 C 0 0 1 0 0 0 10.7625 0.3375 0.0000 N 0 0 5.8917 -2.8042 0.0000 C 0 0 5.8917 -3.6292 0.0000 C 0 0 10.2042 -0.2750 0.0000 C 0 0 8.0375 0.9000 0.0000 O 0 0 8.0250 -2.4000 0.0000 O 0 0 9.5500 0.8875 0.0000 C 0 0 7.3250 -2.8000 0.0000 C 0 0 6.6125 -4.0417 0.0000 C 0 0 10.3625 1.0583 0.0000 C 0 0 11.5875 0.2500 0.0000 C 0 0 7.3292 -3.6250 0.0000 C 0 0 5.1792 -4.0375 0.0000 O 0 0 11.9167 -0.5042 0.0000 C 0 0 6.6125 -4.8625 0.0000 O 0 0 4.7750 0.6875 0.0000 C 0 0 3.8000 -0.6625 0.0000 C 0 0 5.1792 -4.8625 0.0000 C 0 0 12.7375 -0.5917 0.0000 C 0 0 11.4292 -1.1667 0.0000 C 0 0 7.3250 -5.2750 0.0000 C 0 0 3.9500 0.7750 0.0000 C 0 0 3.4625 0.0958 0.0000 C 0 0 13.0750 -1.3417 0.0000 C 0 0 11.7625 -1.9250 0.0000 C 0 0 12.5792 -2.0125 0.0000 C 0 0 7.3293 0.6625 0.0000 H 0 0 2 5 1 0 3 11 1 0 4 10 1 0 5 1 1 0 6 1 1 0 6 7 1 0 8 1 1 0 9 2 1 0 10 8 1 0 11 6 1 0 5 12 1 6 13 3 1 0 14 9 1 0 15 4 1 6 16 19 1 0 17 12 2 0 18 17 1 0 19 15 1 0 20 7 2 0 21 8 2 0 22 15 1 0 23 12 1 0 24 27 1 0 25 22 1 0 26 16 1 0 27 23 2 0 28 18 1 0 29 26 1 0 30 24 1 0 31 13 1 0 32 14 1 0 33 28 1 0 34 29 1 0 35 29 2 0 36 30 1 0 37 31 2 0 38 32 2 0 39 34 2 0 40 35 1 0 41 40 2 0 7 4 1 0 3 2 2 0 13 14 2 0 18 24 2 0 25 16 1 0 38 37 1 0 39 41 1 0 6 42 1 1 M END > CHEMBL284745 > 0 $$$$ CHEMBL2041590 SciTegic12291823182D 30 32 0 0 0 0 999 V2000 16.2402 -4.5166 0.0000 C 0 0 16.2391 -5.3440 0.0000 C 0 0 16.9539 -5.7569 0.0000 C 0 0 17.6703 -5.3435 0.0000 C 0 0 17.6675 -4.5130 0.0000 C 0 0 16.9521 -4.1039 0.0000 C 0 0 16.9496 -3.2789 0.0000 O 0 0 17.6629 -2.8642 0.0000 C 0 0 18.3804 -4.0978 0.0000 O 0 0 19.0964 -4.5076 0.0000 C 0 0 15.5257 -4.1043 0.0000 O 0 0 15.5255 -3.2793 0.0000 C 0 0 14.8109 -2.8670 0.0000 C 0 0 17.6604 -2.0392 0.0000 C 0 0 19.8093 -4.0924 0.0000 C 0 0 16.9537 -6.5819 0.0000 C 0 0 16.2391 -6.9942 0.0000 O 0 0 17.6681 -6.9945 0.0000 O 0 0 18.3826 -6.5822 0.0000 C 0 0 19.0976 -6.9946 0.0000 C 0 0 19.3425 -7.7810 0.0000 C 0 0 20.1674 -7.7902 0.0000 C 0 0 20.4310 -7.0080 0.0000 C 0 0 19.7690 -6.5162 0.0000 O 0 0 21.1423 -6.5992 0.0000 C 0 0 21.8554 -7.0164 0.0000 C 0 0 22.5710 -6.6074 0.0000 C 0 0 22.5748 -5.7816 0.0000 C 0 0 21.8570 -5.3663 0.0000 C 0 0 21.1443 -5.7776 0.0000 C 0 0 10 15 1 0 3 4 2 0 3 16 1 0 7 8 1 0 16 17 2 0 16 18 1 0 5 9 1 0 18 19 1 0 4 5 1 0 19 20 1 0 20 21 2 0 9 10 1 0 2 3 1 0 1 11 1 0 5 6 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 20 1 0 11 12 1 0 6 1 1 0 25 26 2 0 12 13 1 0 26 27 1 0 1 2 2 0 27 28 2 0 8 14 1 0 28 29 1 0 6 7 1 0 29 30 2 0 30 25 1 0 23 25 1 0 M END > CHEMBL2041590 > 0 $$$$ CHEMBL2041596 SciTegic12291823182D 27 29 0 0 0 0 999 V2000 4.5277 -15.1333 0.0000 C 0 0 4.5266 -15.9607 0.0000 C 0 0 5.2414 -16.3735 0.0000 C 0 0 5.9578 -15.9602 0.0000 C 0 0 5.9550 -15.1297 0.0000 C 0 0 5.2396 -14.7205 0.0000 C 0 0 5.2412 -17.1985 0.0000 C 0 0 5.9556 -17.6112 0.0000 O 0 0 6.6701 -17.1989 0.0000 C 0 0 7.3845 -17.6116 0.0000 C 0 0 6.6703 -16.3739 0.0000 O 0 0 7.6340 -18.3964 0.0000 C 0 0 8.4590 -18.4059 0.0000 C 0 0 8.7236 -17.6236 0.0000 C 0 0 8.0610 -17.1318 0.0000 O 0 0 5.2371 -13.8955 0.0000 O 0 0 5.9504 -13.4809 0.0000 C 0 0 6.6679 -14.7145 0.0000 O 0 0 7.3839 -15.1243 0.0000 C 0 0 3.8132 -14.7210 0.0000 O 0 0 3.8130 -13.8960 0.0000 C 0 0 9.4317 -17.2094 0.0000 C 0 0 10.1483 -17.6205 0.0000 C 0 0 10.8605 -17.2055 0.0000 C 0 0 10.8573 -16.3796 0.0000 C 0 0 10.1359 -15.9705 0.0000 C 0 0 9.4267 -16.3878 0.0000 C 0 0 3 7 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 10 1 0 3 4 2 0 6 16 1 0 7 8 1 0 16 17 1 0 5 18 1 0 8 9 1 0 18 19 1 0 4 5 1 0 1 20 1 0 9 10 1 0 20 21 1 0 2 3 1 0 9 11 2 0 22 23 2 0 10 12 2 0 23 24 1 0 5 6 2 0 24 25 2 0 6 1 1 0 25 26 1 0 1 2 2 0 26 27 2 0 27 22 1 0 14 22 1 0 M END > CHEMBL2041596 > 0 $$$$ CHEMBL2041597 SciTegic12291823182D 31 33 0 0 0 0 999 V2000 10.9402 -15.0416 0.0000 C 0 0 10.9391 -15.8690 0.0000 C 0 0 11.6539 -16.2819 0.0000 C 0 0 12.3703 -15.8685 0.0000 C 0 0 12.3675 -15.0380 0.0000 C 0 0 11.6521 -14.6289 0.0000 C 0 0 11.6537 -17.1069 0.0000 C 0 0 12.3681 -17.5195 0.0000 O 0 0 13.0826 -17.1072 0.0000 C 0 0 13.7970 -17.5199 0.0000 C 0 0 13.0828 -16.2822 0.0000 O 0 0 14.0465 -18.3048 0.0000 C 0 0 14.8715 -18.3142 0.0000 C 0 0 15.1361 -17.5320 0.0000 C 0 0 14.4735 -17.0401 0.0000 O 0 0 11.6496 -13.8039 0.0000 O 0 0 12.3629 -13.3892 0.0000 C 0 0 13.0804 -14.6228 0.0000 O 0 0 13.7964 -15.0326 0.0000 C 0 0 10.2257 -14.6293 0.0000 O 0 0 10.2255 -13.8043 0.0000 C 0 0 15.8442 -17.1177 0.0000 C 0 0 16.5608 -17.5288 0.0000 C 0 0 17.2730 -17.1138 0.0000 C 0 0 17.2698 -16.2880 0.0000 C 0 0 16.5484 -15.8788 0.0000 C 0 0 15.8392 -16.2961 0.0000 C 0 0 16.5636 -18.3538 0.0000 C 0 0 15.8505 -18.7687 0.0000 F 0 0 17.2795 -18.7639 0.0000 F 0 0 16.5583 -19.1750 0.0000 F 0 0 15 10 1 0 3 4 2 0 6 16 1 0 7 8 1 0 16 17 1 0 5 18 1 0 8 9 1 0 18 19 1 0 4 5 1 0 1 20 1 0 9 10 1 0 20 21 1 0 2 3 1 0 9 11 2 0 22 23 2 0 10 12 2 0 23 24 1 0 5 6 2 0 24 25 2 0 6 1 1 0 25 26 1 0 1 2 2 0 26 27 2 0 27 22 1 0 14 22 1 0 3 7 1 0 23 28 1 0 12 13 1 0 28 29 1 0 13 14 2 0 28 30 1 0 14 15 1 0 28 31 1 0 M END > CHEMBL2041597 > 1 $$$$ CHEMBL2041602 SciTegic12291823182D 31 33 0 0 0 0 999 V2000 17.3736 -20.7250 0.0000 C 0 0 17.3724 -21.5523 0.0000 C 0 0 18.0872 -21.9652 0.0000 C 0 0 18.8037 -21.5519 0.0000 C 0 0 18.8008 -20.7213 0.0000 C 0 0 18.0854 -20.3122 0.0000 C 0 0 18.0870 -22.7902 0.0000 C 0 0 18.8014 -23.2029 0.0000 O 0 0 19.5160 -22.7906 0.0000 C 0 0 20.2303 -23.2032 0.0000 C 0 0 19.5162 -21.9656 0.0000 O 0 0 20.4799 -23.9881 0.0000 C 0 0 21.3048 -23.9976 0.0000 C 0 0 21.5694 -23.2153 0.0000 C 0 0 20.9069 -22.7234 0.0000 O 0 0 18.0830 -19.4872 0.0000 O 0 0 18.7962 -19.0726 0.0000 C 0 0 19.5137 -20.3061 0.0000 O 0 0 20.2297 -20.7159 0.0000 C 0 0 16.6590 -20.3126 0.0000 O 0 0 16.6588 -19.4876 0.0000 C 0 0 22.2775 -22.8011 0.0000 C 0 0 22.9941 -23.2121 0.0000 C 0 0 23.7063 -22.7972 0.0000 C 0 0 23.7031 -21.9713 0.0000 C 0 0 22.9818 -21.5621 0.0000 C 0 0 22.2726 -21.9795 0.0000 C 0 0 22.9959 -24.0414 0.0000 N 0 3 23.7118 -24.4514 0.0000 O 0 0 22.2828 -24.4563 0.0000 O 0 5 24.4152 -21.5547 0.0000 Cl 0 0 15 10 1 0 3 4 2 0 6 16 1 0 7 8 1 0 16 17 1 0 5 18 1 0 8 9 1 0 18 19 1 0 4 5 1 0 1 20 1 0 9 10 1 0 20 21 1 0 2 3 1 0 9 11 2 0 22 23 2 0 10 12 2 0 23 24 1 0 5 6 2 0 24 25 2 0 6 1 1 0 25 26 1 0 1 2 2 0 26 27 2 0 27 22 1 0 14 22 1 0 3 7 1 0 12 13 1 0 13 14 2 0 28 29 2 0 28 30 1 0 23 28 1 0 14 15 1 0 25 31 1 0 M CHG 2 28 1 30 -1 M END > CHEMBL2041602 > 0 $$$$ CHEMBL2041604 SciTegic12291823182D 30 32 0 0 0 0 999 V2000 1.7069 1.6250 0.0000 C 0 0 1.7057 0.7977 0.0000 C 0 0 2.4206 0.3848 0.0000 C 0 0 3.1370 0.7981 0.0000 C 0 0 3.1341 1.6287 0.0000 C 0 0 2.4188 2.0378 0.0000 C 0 0 2.4204 -0.4402 0.0000 C 0 0 3.1347 -0.8529 0.0000 O 0 0 3.8493 -0.4406 0.0000 C 0 0 4.5637 -0.8532 0.0000 C 0 0 3.8495 0.3844 0.0000 O 0 0 4.8132 -1.6381 0.0000 C 0 0 5.6381 -1.6476 0.0000 C 0 0 5.9028 -0.8653 0.0000 C 0 0 5.2402 -0.3734 0.0000 O 0 0 2.4163 2.8628 0.0000 O 0 0 3.1295 3.2774 0.0000 C 0 0 3.8471 2.0439 0.0000 O 0 0 4.5631 1.6341 0.0000 C 0 0 0.9923 2.0374 0.0000 O 0 0 0.9921 2.8624 0.0000 C 0 0 6.6109 -0.4511 0.0000 C 0 0 7.3275 -0.8621 0.0000 C 0 0 8.0396 -0.4472 0.0000 C 0 0 8.0364 0.3787 0.0000 C 0 0 7.3151 0.7879 0.0000 C 0 0 6.6059 0.3705 0.0000 C 0 0 8.7491 0.7982 0.0000 N 0 3 8.7443 1.6232 0.0000 O 0 0 9.4659 0.3899 0.0000 O 0 5 14 15 1 0 15 10 1 0 3 4 2 0 6 16 1 0 7 8 1 0 16 17 1 0 5 18 1 0 8 9 1 0 18 19 1 0 4 5 1 0 1 20 1 0 9 10 1 0 20 21 1 0 2 3 1 0 9 11 2 0 22 23 2 0 10 12 2 0 23 24 1 0 5 6 2 0 24 25 2 0 6 1 1 0 25 26 1 0 1 2 2 0 26 27 2 0 27 22 1 0 14 22 1 0 3 7 1 0 12 13 1 0 13 14 2 0 28 29 2 0 28 30 1 0 25 28 1 0 M CHG 2 28 1 30 -1 M END > CHEMBL2041604 > 1 $$$$ CHEMBL2041614 SciTegic12291823182D 31 33 0 0 0 0 999 V2000 16.8194 -9.6125 0.0000 C 0 0 16.8182 -10.4398 0.0000 C 0 0 17.5331 -10.8527 0.0000 C 0 0 18.2495 -10.4394 0.0000 C 0 0 18.2466 -9.6088 0.0000 C 0 0 17.5313 -9.1997 0.0000 C 0 0 17.5329 -11.6777 0.0000 C 0 0 18.2472 -12.0904 0.0000 N 0 0 18.9618 -11.6781 0.0000 C 0 0 19.6762 -12.0907 0.0000 C 0 0 18.9620 -10.8531 0.0000 O 0 0 19.9257 -12.8756 0.0000 C 0 0 20.7506 -12.8851 0.0000 C 0 0 21.0153 -12.1028 0.0000 C 0 0 20.3527 -11.6109 0.0000 O 0 0 17.5288 -8.3747 0.0000 O 0 0 18.2420 -7.9601 0.0000 C 0 0 18.9596 -9.1936 0.0000 O 0 0 19.6756 -9.6034 0.0000 C 0 0 16.1048 -9.2001 0.0000 O 0 0 16.1046 -8.3751 0.0000 C 0 0 21.7234 -11.6886 0.0000 C 0 0 22.4400 -12.0996 0.0000 C 0 0 23.1521 -11.6847 0.0000 C 0 0 23.1489 -10.8588 0.0000 C 0 0 22.4276 -10.4496 0.0000 C 0 0 21.7184 -10.8670 0.0000 C 0 0 22.4417 -12.9289 0.0000 N 0 3 23.1576 -13.3389 0.0000 O 0 0 21.7287 -13.3438 0.0000 O 0 5 23.8610 -10.4422 0.0000 C 0 0 15 10 1 0 3 4 2 0 6 16 1 0 7 8 1 0 16 17 1 0 5 18 1 0 8 9 1 0 18 19 1 0 4 5 1 0 1 20 1 0 9 10 1 0 20 21 1 0 2 3 1 0 9 11 2 0 22 23 2 0 10 12 2 0 23 24 1 0 5 6 2 0 24 25 2 0 6 1 1 0 25 26 1 0 1 2 2 0 26 27 2 0 27 22 1 0 14 22 1 0 3 7 1 0 12 13 1 0 13 14 2 0 28 29 2 0 28 30 1 0 23 28 1 0 14 15 1 0 25 31 1 0 M CHG 2 28 1 30 -1 M END > CHEMBL2041614 > 1 $$$$ CHEMBL1411333 SciTegic12291823182D 22 23 0 0 0 0 999 V2000 3.7347 -7.1063 0.0000 Br 0 0 5.1637 -7.1063 0.0000 O 0 0 9.4505 -7.1062 0.0000 O 0 0 5.8782 -5.8687 0.0000 N 0 0 8.7360 -5.8687 0.0000 N 0 0 4.4492 -5.8687 0.0000 C 0 0 5.1637 -6.2813 0.0000 C 0 0 6.5926 -6.2812 0.0000 C 0 0 3.7347 -6.2813 0.0000 C 0 0 8.0216 -6.2812 0.0000 C 0 0 7.3071 -5.8687 0.0000 C 0 0 4.4492 -5.0437 0.0000 C 0 0 6.5926 -7.1062 0.0000 C 0 0 3.0203 -5.8688 0.0000 C 0 0 8.0216 -7.1062 0.0000 C 0 0 7.3071 -7.5187 0.0000 C 0 0 3.7347 -4.6313 0.0000 C 0 0 3.0203 -5.0438 0.0000 C 0 0 9.4505 -6.2812 0.0000 C 0 0 10.1650 -5.8687 0.0000 C 0 0 10.8795 -6.2813 0.0000 C 0 0 11.5939 -5.8687 0.0000 C 0 0 1 9 1 0 2 7 2 0 3 19 2 0 4 7 1 0 4 8 1 0 5 10 1 0 5 19 1 0 6 7 1 0 6 9 1 0 6 12 2 0 8 11 2 0 8 13 1 0 9 14 2 0 10 11 1 0 10 15 2 0 12 17 1 0 13 16 2 0 14 18 1 0 15 16 1 0 17 18 2 0 19 20 1 0 20 21 1 0 21 22 1 0 M END > CHEMBL1411333 > 0 $$$$ CHEMBL2069591 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -3.5889 0.0084 0.0000 C 0 0 -3.5901 -0.8190 0.0000 C 0 0 -2.8753 -1.2319 0.0000 C 0 0 -2.8771 0.4211 0.0000 C 0 0 -2.1617 0.0120 0.0000 C 0 0 -2.1614 -0.8190 0.0000 N 0 0 -1.3710 -1.0756 0.0000 N 0 0 -0.8826 -0.4031 0.0000 C 0 0 -1.3714 0.2690 0.0000 C 0 0 -0.0576 -0.4028 0.0000 C 0 0 0.3551 -1.1172 0.0000 C 0 0 -2.8790 1.2461 0.0000 C 0 0 -2.8751 -2.0569 0.0000 O 0 0 -3.5894 -2.4696 0.0000 C 0 0 -2.1657 1.6629 0.0000 C 0 0 -2.1657 2.4842 0.0000 C 0 0 -2.8793 2.8989 0.0000 C 0 0 -3.5945 2.4860 0.0000 N 0 0 -3.5962 1.6584 0.0000 N 0 0 -1.4502 1.2523 0.0000 C 0 0 -2.8781 3.7178 0.0000 O 0 0 8 10 1 0 5 6 1 0 10 11 1 0 4 12 1 0 2 3 2 0 3 13 1 0 3 6 1 0 13 14 1 0 12 15 1 0 1 2 1 0 5 4 1 0 6 7 1 0 7 8 2 0 8 9 1 0 12 19 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 9 5 2 0 15 20 1 0 4 1 2 0 17 21 2 0 M END > CHEMBL2069591 > 0 $$$$ CHEMBL2069592 SciTegic12291823182D 20 22 0 0 0 0 999 V2000 3.7958 1.9375 0.0000 C 0 0 3.0000 1.7208 0.0000 C 0 0 3.5856 1.1400 0.0000 C 0 0 1.6277 -0.0041 0.0000 C 0 0 1.6266 -0.8315 0.0000 C 0 0 2.3414 -1.2444 0.0000 C 0 0 2.3396 0.4086 0.0000 C 0 0 3.0550 -0.0005 0.0000 C 0 0 3.0552 -0.8315 0.0000 N 0 0 3.8457 -1.0881 0.0000 N 0 0 4.3340 -0.4156 0.0000 C 0 0 3.8453 0.2565 0.0000 C 0 0 5.1590 -0.4153 0.0000 C 0 0 5.5718 -1.1297 0.0000 C 0 0 2.3376 1.2336 0.0000 C 0 0 2.7463 2.5044 0.0000 C 0 0 1.9213 2.5019 0.0000 N 0 0 1.6688 1.7165 0.0000 N 0 0 3.2306 3.1723 0.0000 O 0 0 2.3416 -2.0694 0.0000 C 0 0 6 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 M END > CHEMBL2069592 > 1 $$$$ CHEMBL2069593 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 9.0208 1.9875 0.0000 C 0 0 8.2250 1.7708 0.0000 C 0 0 8.8106 1.1900 0.0000 C 0 0 6.8527 0.0459 0.0000 C 0 0 6.8516 -0.7815 0.0000 C 0 0 7.5664 -1.1944 0.0000 C 0 0 7.5646 0.4586 0.0000 C 0 0 8.2800 0.0495 0.0000 C 0 0 8.2802 -0.7815 0.0000 N 0 0 9.0707 -1.0381 0.0000 N 0 0 9.5590 -0.3656 0.0000 C 0 0 9.0703 0.3065 0.0000 C 0 0 10.3840 -0.3653 0.0000 C 0 0 10.7968 -1.0797 0.0000 C 0 0 7.5626 1.2836 0.0000 C 0 0 7.9713 2.5544 0.0000 C 0 0 7.1463 2.5519 0.0000 N 0 0 6.8938 1.7665 0.0000 N 0 0 8.4556 3.2223 0.0000 O 0 0 7.5666 -2.0194 0.0000 C 0 0 6.8523 -2.4321 0.0000 C 0 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 6 9 1 0 20 21 1 0 M END > CHEMBL2069593 > 1 $$$$ CHEMBL2069594 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 14.7042 2.1750 0.0000 C 0 0 13.9083 1.9583 0.0000 C 0 0 14.4939 1.3775 0.0000 C 0 0 12.5361 0.2334 0.0000 C 0 0 12.5349 -0.5940 0.0000 C 0 0 13.2497 -1.0069 0.0000 C 0 0 13.2479 0.6461 0.0000 C 0 0 13.9633 0.2370 0.0000 C 0 0 13.9636 -0.5940 0.0000 N 0 0 14.7540 -0.8506 0.0000 N 0 0 15.2424 -0.1781 0.0000 C 0 0 14.7536 0.4940 0.0000 C 0 0 16.0674 -0.1778 0.0000 C 0 0 16.4801 -0.8922 0.0000 C 0 0 13.2460 1.4711 0.0000 C 0 0 13.6547 2.7419 0.0000 C 0 0 12.8296 2.7394 0.0000 N 0 0 12.5771 1.9540 0.0000 N 0 0 14.1389 3.4098 0.0000 O 0 0 13.2499 -1.8319 0.0000 O 0 0 12.5356 -2.2446 0.0000 C 0 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 6 9 1 0 20 21 1 0 M END > CHEMBL2069594 > 1 $$$$ CHEMBL2069595 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 20.0417 2.4625 0.0000 C 0 0 19.2458 2.2458 0.0000 C 0 0 19.8314 1.6650 0.0000 C 0 0 17.8736 0.5209 0.0000 C 0 0 17.8724 -0.3065 0.0000 C 0 0 18.5872 -0.7194 0.0000 C 0 0 18.5854 0.9336 0.0000 C 0 0 19.3008 0.5245 0.0000 C 0 0 19.3011 -0.3065 0.0000 N 0 0 20.0915 -0.5631 0.0000 N 0 0 20.5799 0.1094 0.0000 C 0 0 20.0911 0.7815 0.0000 C 0 0 21.4049 0.1097 0.0000 C 0 0 21.8176 -0.6047 0.0000 C 0 0 18.5835 1.7586 0.0000 C 0 0 18.9922 3.0294 0.0000 C 0 0 18.1671 3.0269 0.0000 N 0 0 17.9146 2.2415 0.0000 N 0 0 19.4764 3.6973 0.0000 O 0 0 18.5874 -1.5444 0.0000 S 0 0 17.8731 -1.9571 0.0000 C 0 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 6 9 1 0 20 21 1 0 M END > CHEMBL2069595 > 1 $$$$ CHEMBL2069596 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 -2.0792 -4.4375 0.0000 C 0 0 -2.8750 -4.6542 0.0000 C 0 0 -2.2894 -5.2350 0.0000 C 0 0 -4.2473 -6.3791 0.0000 C 0 0 -4.2484 -7.2065 0.0000 C 0 0 -3.5336 -7.6194 0.0000 C 0 0 -3.5354 -5.9664 0.0000 C 0 0 -2.8200 -6.3755 0.0000 C 0 0 -2.8198 -7.2065 0.0000 N 0 0 -2.0293 -7.4631 0.0000 N 0 0 -1.5410 -6.7906 0.0000 C 0 0 -2.0297 -6.1185 0.0000 C 0 0 -0.7160 -6.7903 0.0000 C 0 0 -0.3032 -7.5047 0.0000 C 0 0 -3.5374 -5.1414 0.0000 C 0 0 -3.1287 -3.8706 0.0000 C 0 0 -3.9537 -3.8731 0.0000 N 0 0 -4.2062 -4.6585 0.0000 N 0 0 -2.6444 -3.2027 0.0000 O 0 0 -3.5334 -8.4444 0.0000 N 0 0 -4.2477 -8.8571 0.0000 C 0 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 6 9 1 0 20 21 1 0 M END > CHEMBL2069596 > 0 $$$$ CHEMBL2069597 SciTegic12291823182D 21 23 0 0 0 0 999 V2000 3.3458 -4.4208 0.0000 C 0 0 2.5500 -4.6375 0.0000 C 0 0 3.1356 -5.2184 0.0000 C 0 0 1.1777 -6.3625 0.0000 C 0 0 1.1766 -7.1898 0.0000 C 0 0 1.8914 -7.6027 0.0000 C 0 0 1.8896 -5.9497 0.0000 C 0 0 2.6050 -6.3588 0.0000 C 0 0 2.6052 -7.1899 0.0000 N 0 0 3.3957 -7.4465 0.0000 N 0 0 3.8840 -6.7740 0.0000 C 0 0 3.3953 -6.1018 0.0000 C 0 0 4.7090 -6.7737 0.0000 C 0 0 5.1218 -7.4880 0.0000 C 0 0 1.8876 -5.1248 0.0000 C 0 0 2.2963 -3.8540 0.0000 C 0 0 1.4713 -3.8564 0.0000 N 0 0 1.2188 -4.6418 0.0000 N 0 0 2.7806 -3.1861 0.0000 O 0 0 1.8916 -8.4277 0.0000 C 0 0 1.1773 -8.8404 0.0000 O 0 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 6 9 1 0 20 21 1 0 M END > CHEMBL2069597 > 1 $$$$ CHEMBL2069598 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 8.3417 -4.3875 0.0000 C 0 0 7.5458 -4.6042 0.0000 C 0 0 8.1314 -5.1850 0.0000 C 0 0 6.1736 -6.3291 0.0000 C 0 0 6.1724 -7.1565 0.0000 C 0 0 6.8872 -7.5694 0.0000 C 0 0 6.8854 -5.9164 0.0000 C 0 0 7.6008 -6.3255 0.0000 C 0 0 7.6011 -7.1565 0.0000 N 0 0 8.3915 -7.4131 0.0000 N 0 0 8.8799 -6.7406 0.0000 C 0 0 8.3911 -6.0685 0.0000 C 0 0 9.7049 -6.7403 0.0000 C 0 0 10.1176 -7.4547 0.0000 C 0 0 6.8835 -5.0914 0.0000 C 0 0 7.2922 -3.8206 0.0000 C 0 0 6.4671 -3.8231 0.0000 N 0 0 6.2146 -4.6085 0.0000 N 0 0 7.7764 -3.1527 0.0000 O 0 0 6.8874 -8.3944 0.0000 C 0 0 6.1731 -8.8071 0.0000 O 0 0 7.6020 -8.8067 0.0000 C 0 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 6 9 1 0 20 21 1 0 9 10 1 0 20 22 1 0 M END > CHEMBL2069598 > 1 $$$$ CHEMBL2069599 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 13.9833 -4.5000 0.0000 C 0 0 13.1875 -4.7167 0.0000 C 0 0 13.7731 -5.2975 0.0000 C 0 0 11.8152 -6.4416 0.0000 C 0 0 11.8141 -7.2690 0.0000 C 0 0 12.5289 -7.6819 0.0000 C 0 0 12.5271 -6.0289 0.0000 C 0 0 13.2425 -6.4380 0.0000 C 0 0 13.2427 -7.2690 0.0000 N 0 0 14.0332 -7.5256 0.0000 N 0 0 14.5215 -6.8531 0.0000 C 0 0 14.0328 -6.1810 0.0000 C 0 0 15.3465 -6.8528 0.0000 C 0 0 15.7593 -7.5672 0.0000 C 0 0 12.5251 -5.2039 0.0000 C 0 0 12.9338 -3.9331 0.0000 C 0 0 12.1088 -3.9356 0.0000 N 0 0 11.8563 -4.7210 0.0000 N 0 0 13.4181 -3.2652 0.0000 O 0 0 12.5291 -8.5069 0.0000 C 0 0 11.8148 -8.9196 0.0000 O 0 0 13.2437 -8.9192 0.0000 C 0 0 10 11 2 0 11 12 1 0 12 8 2 0 11 13 1 0 8 7 1 0 13 14 1 0 15 2 1 0 7 4 2 0 8 9 1 0 2 1 1 0 4 5 1 0 2 16 1 0 16 17 1 0 17 18 1 0 18 15 2 0 7 15 1 0 3 2 1 0 16 19 2 0 5 6 2 0 6 20 1 0 6 9 1 0 20 21 2 0 9 10 1 0 20 22 1 0 M END > CHEMBL2069599 > 1 $$$$ CHEMBL2069600 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 17.4319 -6.3666 0.0000 C 0 0 17.4307 -7.1940 0.0000 C 0 0 18.1456 -7.6069 0.0000 C 0 0 18.1438 -5.9539 0.0000 C 0 0 18.8591 -6.3630 0.0000 C 0 0 18.8594 -7.1940 0.0000 N 0 0 19.6499 -7.4506 0.0000 N 0 0 20.1382 -6.7781 0.0000 C 0 0 19.6494 -6.1060 0.0000 C 0 0 20.9632 -6.7778 0.0000 C 0 0 21.3759 -7.4922 0.0000 F 0 0 18.1418 -5.1289 0.0000 C 0 0 18.1458 -8.4319 0.0000 O 0 0 17.4314 -8.8446 0.0000 C 0 0 18.8551 -4.7121 0.0000 C 0 0 18.8551 -3.8908 0.0000 C 0 0 18.1416 -3.4761 0.0000 C 0 0 17.4263 -3.8890 0.0000 N 0 0 17.4246 -4.7166 0.0000 N 0 0 19.5706 -5.1227 0.0000 C 0 0 18.1428 -2.6572 0.0000 O 0 0 21.3754 -6.0632 0.0000 F 0 0 21.7875 -6.7750 0.0000 F 0 0 10 11 1 0 4 12 1 0 2 3 2 0 3 13 1 0 3 6 1 0 13 14 1 0 12 15 1 0 1 2 1 0 5 4 1 0 6 7 1 0 7 8 2 0 8 9 1 0 12 19 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 9 5 2 0 15 20 1 0 4 1 2 0 17 21 2 0 8 10 1 0 10 22 1 0 5 6 1 0 10 23 1 0 M END > CHEMBL2069600 > 1 $$$$ CHEMBL2069601 SciTegic12291823182D 19 21 0 0 0 0 999 V2000 -2.2545 -10.8471 0.0000 C 0 0 -3.0504 -11.0638 0.0000 C 0 0 -2.4647 -11.6448 0.0000 C 0 0 -4.4228 -12.7890 0.0000 C 0 0 -4.4239 -13.6164 0.0000 C 0 0 -3.7090 -14.0294 0.0000 C 0 0 -3.7108 -12.3762 0.0000 C 0 0 -2.9954 -12.7853 0.0000 C 0 0 -2.9952 -13.6165 0.0000 N 0 0 -2.2046 -13.8731 0.0000 N 0 0 -1.7162 -13.2006 0.0000 C 0 0 -2.2050 -12.5283 0.0000 C 0 0 -3.7128 -11.5512 0.0000 C 0 0 -3.3041 -10.2802 0.0000 C 0 0 -4.1292 -10.2826 0.0000 N 0 0 -4.3817 -11.0681 0.0000 N 0 0 -2.8197 -9.6122 0.0000 O 0 0 -3.7088 -14.8545 0.0000 O 0 0 -4.4232 -15.2672 0.0000 C 0 0 5 6 2 0 6 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 M END > CHEMBL2069601 > 0 $$$$ CHEMBL2069602 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 1.7708 -10.9417 0.0000 C 0 0 0.9750 -11.1583 0.0000 C 0 0 1.5606 -11.7392 0.0000 C 0 0 -0.3973 -12.8833 0.0000 C 0 0 -0.3984 -13.7107 0.0000 C 0 0 0.3164 -14.1235 0.0000 C 0 0 0.3146 -12.4705 0.0000 C 0 0 1.0300 -12.8797 0.0000 C 0 0 1.0302 -13.7107 0.0000 N 0 0 1.8207 -13.9673 0.0000 N 0 0 2.3090 -13.2948 0.0000 C 0 0 1.8203 -12.6227 0.0000 C 0 0 0.3126 -11.6456 0.0000 C 0 0 0.7213 -10.3748 0.0000 C 0 0 -0.1037 -10.3773 0.0000 N 0 0 -0.3562 -11.1627 0.0000 N 0 0 1.2056 -9.7069 0.0000 O 0 0 0.3166 -14.9485 0.0000 O 0 0 -0.3977 -15.3612 0.0000 C 0 0 3.1349 -13.2914 0.0000 C 0 0 3.8495 -13.7037 0.0000 C 0 0 3.8493 -12.8787 0.0000 C 0 0 10 11 2 0 11 12 1 0 12 8 2 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 21 20 1 0 22 21 1 0 20 22 1 0 5 6 2 0 6 9 1 0 9 10 1 0 11 20 1 0 M END > CHEMBL2069602 > 1 $$$$ CHEMBL2069603 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 6.8333 -11.0125 0.0000 C 0 0 6.0375 -11.2292 0.0000 C 0 0 6.6231 -11.8100 0.0000 C 0 0 4.6652 -12.9541 0.0000 C 0 0 4.6641 -13.7815 0.0000 C 0 0 5.3789 -14.1944 0.0000 C 0 0 5.3771 -12.5414 0.0000 C 0 0 6.0925 -12.9505 0.0000 C 0 0 6.0927 -13.7815 0.0000 N 0 0 6.8832 -14.0381 0.0000 N 0 0 7.3715 -13.3656 0.0000 C 0 0 6.8828 -12.6935 0.0000 C 0 0 5.3751 -11.7164 0.0000 C 0 0 5.7838 -10.4456 0.0000 C 0 0 4.9588 -10.4481 0.0000 N 0 0 4.7063 -11.2335 0.0000 N 0 0 6.2681 -9.7777 0.0000 O 0 0 5.3791 -15.0194 0.0000 O 0 0 4.6648 -15.4321 0.0000 C 0 0 8.1965 -13.3653 0.0000 C 0 0 8.6093 -14.0797 0.0000 F 0 0 8.6088 -12.6507 0.0000 F 0 0 10 11 2 0 11 12 1 0 12 8 2 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 5 6 2 0 11 20 1 0 6 9 1 0 20 21 1 0 9 10 1 0 20 22 1 0 M END > CHEMBL2069603 > 1 $$$$ CHEMBL2069604 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 12.2333 -10.5750 0.0000 C 0 0 11.4375 -10.7917 0.0000 C 0 0 12.0231 -11.3725 0.0000 C 0 0 10.0652 -12.5166 0.0000 C 0 0 10.0641 -13.3440 0.0000 C 0 0 10.7789 -13.7569 0.0000 C 0 0 10.7771 -12.1039 0.0000 C 0 0 11.4925 -12.5130 0.0000 C 0 0 11.4927 -13.3440 0.0000 N 0 0 12.2832 -13.6006 0.0000 N 0 0 12.7715 -12.9281 0.0000 C 0 0 12.2828 -12.2560 0.0000 C 0 0 10.7751 -11.2789 0.0000 C 0 0 11.1838 -10.0081 0.0000 C 0 0 10.3588 -10.0106 0.0000 N 0 0 10.1063 -10.7960 0.0000 N 0 0 11.6681 -9.3402 0.0000 O 0 0 10.7791 -14.5819 0.0000 O 0 0 10.0648 -14.9946 0.0000 C 0 0 13.5965 -12.9278 0.0000 C 0 0 14.0093 -13.6422 0.0000 F 0 0 14.0088 -12.2132 0.0000 F 0 0 14.4208 -12.9250 0.0000 F 0 0 11 12 1 0 12 8 2 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 5 6 2 0 11 20 1 0 6 9 1 0 20 21 1 0 9 10 1 0 20 22 1 0 10 11 2 0 20 23 1 0 M END > CHEMBL2069604 > 1 $$$$ CHEMBL2069605 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 17.8125 -10.5875 0.0000 C 0 0 17.0167 -10.8042 0.0000 C 0 0 17.6022 -11.3850 0.0000 C 0 0 15.6444 -12.5291 0.0000 C 0 0 15.6432 -13.3565 0.0000 C 0 0 16.3581 -13.7694 0.0000 C 0 0 16.3563 -12.1164 0.0000 C 0 0 17.0716 -12.5255 0.0000 C 0 0 17.0719 -13.3565 0.0000 C 0 0 17.8624 -13.6131 0.0000 O 0 0 18.3507 -12.9406 0.0000 C 0 0 17.8619 -12.2685 0.0000 C 0 0 16.3543 -11.2914 0.0000 C 0 0 16.7630 -10.0206 0.0000 C 0 0 15.9379 -10.0231 0.0000 N 0 0 15.6855 -10.8085 0.0000 N 0 0 17.2473 -9.3527 0.0000 O 0 0 16.3583 -14.5944 0.0000 O 0 0 15.6439 -15.0071 0.0000 C 0 0 19.1757 -12.9403 0.0000 C 0 0 19.5884 -13.6547 0.0000 F 0 0 19.5879 -12.2257 0.0000 F 0 0 20.0000 -12.9375 0.0000 F 0 0 11 12 2 0 12 8 1 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 2 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 5 6 2 0 11 20 1 0 6 9 1 0 20 21 1 0 9 10 1 0 20 22 1 0 10 11 1 0 20 23 1 0 M END > CHEMBL2069605 > 1 $$$$ CHEMBL2069606 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 -2.2709 -17.4969 0.0000 C 0 0 -3.0669 -17.7136 0.0000 C 0 0 -2.4813 -18.2945 0.0000 C 0 0 -4.4392 -19.4387 0.0000 C 0 0 -4.4404 -20.2661 0.0000 C 0 0 -3.7255 -20.6790 0.0000 C 0 0 -3.7273 -19.0259 0.0000 C 0 0 -3.0119 -19.4350 0.0000 C 0 0 -3.0116 -20.2662 0.0000 C 0 0 -2.2211 -20.5228 0.0000 S 0 0 -1.7327 -19.8502 0.0000 C 0 0 -2.2215 -19.1780 0.0000 C 0 0 -3.7292 -18.2009 0.0000 C 0 0 -3.3205 -16.9301 0.0000 C 0 0 -4.1457 -16.9325 0.0000 N 0 0 -4.3982 -17.7179 0.0000 N 0 0 -2.8363 -16.2621 0.0000 O 0 0 -3.7253 -21.5040 0.0000 O 0 0 -4.4397 -21.9168 0.0000 C 0 0 -0.9077 -19.8499 0.0000 C 0 0 -0.4949 -20.5643 0.0000 F 0 0 -0.4954 -19.1353 0.0000 F 0 0 -0.0833 -19.8470 0.0000 F 0 0 11 12 2 0 12 8 1 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 2 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 5 6 2 0 11 20 1 0 6 9 1 0 20 21 1 0 9 10 1 0 20 22 1 0 10 11 1 0 20 23 1 0 M END > CHEMBL2069606 > 1 $$$$ CHEMBL2069607 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 2.9420 -17.4604 0.0000 C 0 0 2.1461 -17.6771 0.0000 C 0 0 2.7317 -18.2581 0.0000 C 0 0 0.7737 -19.4023 0.0000 C 0 0 0.7725 -20.2297 0.0000 C 0 0 1.4874 -20.6426 0.0000 C 0 0 1.4856 -18.9895 0.0000 C 0 0 2.2011 -19.3986 0.0000 C 0 0 2.2014 -20.2298 0.0000 C 0 0 2.9919 -20.4864 0.0000 N 0 0 3.4803 -19.8138 0.0000 C 0 0 2.9915 -19.1416 0.0000 S 0 0 1.4837 -18.1645 0.0000 C 0 0 1.8924 -16.8935 0.0000 C 0 0 1.0672 -16.8959 0.0000 N 0 0 0.8147 -17.6814 0.0000 N 0 0 2.3767 -16.2255 0.0000 O 0 0 1.4876 -21.4677 0.0000 O 0 0 0.7732 -21.8805 0.0000 C 0 0 4.3054 -19.8135 0.0000 C 0 0 4.7182 -20.5279 0.0000 F 0 0 4.7177 -19.0989 0.0000 F 0 0 5.1298 -19.8106 0.0000 F 0 0 11 12 1 0 12 8 1 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 2 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 5 6 2 0 11 20 1 0 6 9 1 0 20 21 1 0 9 10 1 0 20 22 1 0 10 11 2 0 20 23 1 0 M END > CHEMBL2069607 > 1 $$$$ CHEMBL2069608 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 7.9509 -17.3688 0.0000 C 0 0 7.1550 -17.5854 0.0000 C 0 0 7.7406 -18.1663 0.0000 C 0 0 5.7826 -19.3106 0.0000 C 0 0 5.7814 -20.1381 0.0000 C 0 0 6.4964 -20.5509 0.0000 C 0 0 6.4946 -18.8977 0.0000 C 0 0 7.2100 -19.3070 0.0000 C 0 0 7.2103 -20.1381 0.0000 C 0 0 8.0008 -20.3947 0.0000 N 0 0 8.4892 -19.7221 0.0000 C 0 0 8.0003 -19.0500 0.0000 N 0 0 6.4926 -18.0727 0.0000 C 0 0 6.9013 -16.8018 0.0000 C 0 0 6.0761 -16.8043 0.0000 N 0 0 5.8237 -17.5898 0.0000 N 0 0 7.3857 -16.1338 0.0000 O 0 0 6.4966 -21.3760 0.0000 O 0 0 5.7821 -21.7888 0.0000 C 0 0 9.3143 -19.7218 0.0000 C 0 0 9.7271 -20.4362 0.0000 F 0 0 9.7266 -19.0071 0.0000 F 0 0 10.1387 -19.7190 0.0000 F 0 0 11 12 1 0 12 8 1 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 2 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 5 6 2 0 11 20 1 0 6 9 1 0 20 21 1 0 9 10 1 0 20 22 1 0 10 11 2 0 20 23 1 0 M END > CHEMBL2069608 > 0 $$$$ CHEMBL2069609 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 12.8250 -17.0875 0.0000 C 0 0 12.0292 -17.3042 0.0000 C 0 0 12.6147 -17.8850 0.0000 C 0 0 10.6569 -19.0291 0.0000 C 0 0 10.6557 -19.8565 0.0000 C 0 0 11.3706 -20.2694 0.0000 C 0 0 11.3688 -18.6164 0.0000 C 0 0 12.0841 -19.0255 0.0000 N 0 0 12.0844 -19.8565 0.0000 C 0 0 12.8749 -20.1131 0.0000 N 0 0 13.3632 -19.4406 0.0000 C 0 0 12.8744 -18.7685 0.0000 C 0 0 11.3668 -17.7914 0.0000 C 0 0 11.7755 -16.5206 0.0000 C 0 0 10.9504 -16.5231 0.0000 N 0 0 10.6980 -17.3085 0.0000 N 0 0 12.2598 -15.8527 0.0000 O 0 0 11.3708 -21.0944 0.0000 O 0 0 10.6564 -21.5071 0.0000 C 0 0 14.1882 -19.4403 0.0000 C 0 0 14.6009 -20.1547 0.0000 F 0 0 14.6004 -18.7257 0.0000 F 0 0 15.0125 -19.4375 0.0000 F 0 0 11 12 2 0 12 8 1 0 13 2 1 0 8 7 1 0 7 4 2 0 8 9 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 13 2 0 7 13 1 0 2 1 1 0 14 17 2 0 4 5 1 0 6 18 1 0 3 2 1 0 18 19 1 0 5 6 2 0 11 20 1 0 6 9 1 0 20 21 1 0 9 10 2 0 20 22 1 0 10 11 1 0 20 23 1 0 M END > CHEMBL2069609 > 1 $$$$ CHEMBL2069610 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 18.0458 -17.0542 0.0000 C 0 0 17.2500 -17.2708 0.0000 C 0 0 17.8356 -17.8517 0.0000 C 0 0 15.8777 -18.9958 0.0000 C 0 0 15.8766 -19.8232 0.0000 C 0 0 16.5914 -20.2360 0.0000 C 0 0 16.5896 -18.5830 0.0000 C 0 0 16.5876 -17.7581 0.0000 C 0 0 16.9963 -16.4873 0.0000 C 0 0 16.1713 -16.4898 0.0000 N 0 0 15.9188 -17.2752 0.0000 N 0 0 17.4806 -15.8194 0.0000 O 0 0 16.5916 -21.0610 0.0000 O 0 0 15.8773 -21.4737 0.0000 C 0 0 17.3027 -18.9916 0.0000 C 0 0 17.3052 -19.8232 0.0000 C 0 0 18.0255 -20.2350 0.0000 N 0 0 18.7437 -19.8164 0.0000 C 0 0 18.7372 -18.9817 0.0000 C 0 0 18.0163 -18.5736 0.0000 C 0 0 19.4607 -20.2246 0.0000 C 0 0 19.4656 -21.0496 0.0000 C 0 0 10 11 1 0 11 8 2 0 7 8 1 0 6 16 2 0 9 12 2 0 6 13 1 0 15 7 2 0 13 14 1 0 7 4 1 0 8 2 1 0 15 16 1 0 2 1 1 0 16 17 1 0 4 5 2 0 17 18 2 0 3 2 1 0 18 19 1 0 5 6 1 0 19 20 2 0 20 15 1 0 2 9 1 0 18 21 1 0 9 10 1 0 21 22 1 0 M END > CHEMBL2069610 > 0 $$$$ CHEMBL2069611 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 -1.3417 -23.0583 0.0000 C 0 0 -2.1375 -23.2750 0.0000 C 0 0 -1.5519 -23.8559 0.0000 C 0 0 -3.5098 -25.0000 0.0000 C 0 0 -3.5109 -25.8273 0.0000 C 0 0 -2.7961 -26.2402 0.0000 C 0 0 -2.7979 -24.5872 0.0000 C 0 0 -2.7999 -23.7623 0.0000 C 0 0 -2.3912 -22.4915 0.0000 C 0 0 -3.2162 -22.4939 0.0000 N 0 0 -3.4687 -23.2793 0.0000 N 0 0 -1.9069 -21.8236 0.0000 O 0 0 -2.7959 -27.0652 0.0000 O 0 0 -3.5102 -27.4779 0.0000 C 0 0 -2.0848 -24.9958 0.0000 C 0 0 -2.0823 -25.8274 0.0000 C 0 0 -1.3620 -26.2392 0.0000 N 0 0 -0.6438 -25.8205 0.0000 C 0 0 -0.6503 -24.9858 0.0000 C 0 0 -1.3712 -24.5778 0.0000 C 0 0 0.0732 -26.2288 0.0000 C 0 0 0.0781 -27.0537 0.0000 F 0 0 0.7852 -25.8120 0.0000 F 0 0 0.7833 -26.6375 0.0000 F 0 0 7 8 1 0 6 16 2 0 9 12 2 0 6 13 1 0 15 7 2 0 13 14 1 0 7 4 1 0 8 2 1 0 15 16 1 0 2 1 1 0 16 17 1 0 4 5 2 0 17 18 2 0 3 2 1 0 18 19 1 0 5 6 1 0 19 20 2 0 20 15 1 0 2 9 1 0 18 21 1 0 9 10 1 0 21 22 1 0 10 11 1 0 21 23 1 0 11 8 2 0 21 24 1 0 M END > CHEMBL2069611 > 1 $$$$ CHEMBL2171423 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 5.4687 -9.9808 0.0000 C 0 0 6.1837 -10.3929 0.0000 C 0 0 6.1837 -11.2169 0.0000 C 0 0 5.4687 -11.6289 0.0000 C 0 0 4.7538 -11.2169 0.0000 N 0 0 4.7538 -10.3929 0.0000 N 0 0 7.4475 -10.8049 0.0000 C 0 0 6.9633 -10.1402 0.0000 N 0 0 6.9633 -11.4736 0.0000 N 0 0 5.4687 -12.4529 0.0000 O 0 0 5.4687 -9.1568 0.0000 C 0 0 4.0387 -11.6288 0.0000 C 0 0 4.0387 -12.4529 0.0000 C 0 0 3.3278 -12.8649 0.0000 C 0 0 2.6128 -12.4529 0.0000 C 0 0 2.6128 -11.6288 0.0000 C 0 0 3.3278 -11.2169 0.0000 C 0 0 8.2716 -10.8049 0.0000 C 0 0 8.6836 -10.0898 0.0000 C 0 0 9.5076 -10.0898 0.0000 C 0 0 9.9196 -10.8049 0.0000 C 0 0 9.5076 -11.5198 0.0000 C 0 0 8.6836 -11.5198 0.0000 C 0 0 8.2716 -9.3789 0.0000 O 0 0 8.6836 -8.6639 0.0000 C 0 0 10.7436 -10.8049 0.0000 N 0 0 11.0960 -10.0668 0.0000 C 0 0 11.9008 -9.8812 0.0000 C 0 0 11.0984 -11.5491 0.0000 C 0 0 12.5471 -10.3903 0.0000 N 0 0 11.9036 -11.7309 0.0000 C 0 0 12.5460 -11.2133 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 2 0 7 8 2 0 7 9 1 0 2 8 1 0 3 9 1 0 4 10 2 0 1 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 12 17 1 0 5 12 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 18 23 2 0 24 25 1 0 19 24 1 0 21 26 1 0 7 18 1 0 26 27 1 0 27 28 1 0 26 29 1 0 28 30 1 0 29 31 1 0 30 32 1 0 31 32 1 0 M END > CHEMBL2171423 > 0 $$$$ CHEMBL2171422 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 16.6212 -3.8157 0.0000 C 0 0 17.3367 -4.2280 0.0000 C 0 0 17.3367 -5.0526 0.0000 C 0 0 16.6212 -5.4649 0.0000 C 0 0 15.9058 -5.0526 0.0000 N 0 0 15.9058 -4.2280 0.0000 N 0 0 18.6014 -4.6403 0.0000 C 0 0 18.1169 -3.9752 0.0000 N 0 0 18.1169 -5.3096 0.0000 N 0 0 16.6212 -6.2895 0.0000 O 0 0 16.6212 -2.9911 0.0000 C 0 0 15.1903 -5.4649 0.0000 C 0 0 15.1903 -6.2895 0.0000 C 0 0 14.4789 -6.7018 0.0000 C 0 0 13.7633 -6.2895 0.0000 C 0 0 13.7633 -5.4649 0.0000 C 0 0 14.4789 -5.0526 0.0000 C 0 0 19.4260 -4.6403 0.0000 C 0 0 19.8383 -3.9248 0.0000 C 0 0 20.6629 -3.9248 0.0000 C 0 0 21.0751 -4.6403 0.0000 C 0 0 20.6629 -5.3558 0.0000 C 0 0 19.8383 -5.3558 0.0000 C 0 0 19.4260 -3.2135 0.0000 O 0 0 19.8383 -2.4979 0.0000 C 0 0 21.8997 -4.6403 0.0000 N 0 0 22.3106 -5.3605 0.0000 C 0 0 23.1316 -5.3625 0.0000 C 0 0 23.5478 -4.6502 0.0000 C 0 0 23.1368 -3.9342 0.0000 C 0 0 22.3095 -3.9306 0.0000 C 0 0 24.3724 -4.6533 0.0000 N 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 2 0 7 8 2 0 7 9 1 0 2 8 1 0 3 9 1 0 4 10 2 0 1 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 12 17 1 0 5 12 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 18 23 2 0 24 25 1 0 19 24 1 0 21 26 1 0 7 18 1 0 26 27 1 0 26 31 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 29 32 1 0 M END > CHEMBL2171422 > 0 $$$$ CHEMBL2171421 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 4.7709 -3.7842 0.0000 C 0 0 5.4868 -4.1967 0.0000 C 0 0 5.4868 -5.0217 0.0000 C 0 0 4.7709 -5.4342 0.0000 C 0 0 4.0551 -5.0217 0.0000 N 0 0 4.0551 -4.1967 0.0000 N 0 0 6.7520 -4.6092 0.0000 C 0 0 6.2673 -3.9437 0.0000 N 0 0 6.2673 -5.2788 0.0000 N 0 0 4.7709 -6.2592 0.0000 O 0 0 4.7709 -2.9592 0.0000 C 0 0 3.3393 -5.4342 0.0000 C 0 0 3.3393 -6.2592 0.0000 C 0 0 2.6275 -6.6717 0.0000 C 0 0 1.9117 -6.2592 0.0000 C 0 0 1.9117 -5.4342 0.0000 C 0 0 2.6275 -5.0217 0.0000 C 0 0 7.5770 -4.6092 0.0000 C 0 0 7.9895 -3.8933 0.0000 C 0 0 8.8145 -3.8933 0.0000 C 0 0 9.2270 -4.6092 0.0000 C 0 0 8.8145 -5.3250 0.0000 C 0 0 7.9895 -5.3250 0.0000 C 0 0 7.5770 -3.1816 0.0000 O 0 0 7.9895 -2.4657 0.0000 C 0 0 10.0519 -4.6092 0.0000 N 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 2 0 7 8 2 0 7 9 1 0 2 8 1 0 3 9 1 0 4 10 2 0 1 11 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 12 17 1 0 5 12 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 18 23 2 0 24 25 1 0 19 24 1 0 21 26 1 0 7 18 1 0 M END > CHEMBL2171421 > 0 $$$$ CHEMBL2178115 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 26.5557 -2.1624 0.0000 N 0 0 26.5546 -2.9897 0.0000 C 0 0 27.2693 -3.4026 0.0000 N 0 0 27.2675 -1.7496 0.0000 C 0 0 27.9830 -2.1587 0.0000 C 0 0 27.9832 -2.9898 0.0000 C 0 0 28.7736 -3.2463 0.0000 N 0 0 29.2619 -2.5739 0.0000 N 0 0 28.7732 -1.9017 0.0000 C 0 0 27.2651 -0.9246 0.0000 O 0 0 25.8399 -3.4017 0.0000 N 0 0 25.1257 -2.9886 0.0000 C 0 0 24.4109 -3.4004 0.0000 C 0 0 25.1263 -2.1636 0.0000 C 0 0 23.6969 -2.9874 0.0000 O 0 0 24.4103 -4.2254 0.0000 N 0 0 23.6956 -4.6374 0.0000 C 0 0 22.9823 -4.2208 0.0000 C 0 0 22.2680 -4.6320 0.0000 C 0 0 22.2669 -5.4578 0.0000 C 0 0 22.9861 -5.8707 0.0000 C 0 0 23.6974 -5.4571 0.0000 C 0 0 29.0283 -4.0280 0.0000 C 0 0 28.4747 -4.6410 0.0000 C 0 0 28.7293 -5.4250 0.0000 C 0 0 29.5370 -5.5969 0.0000 C 0 0 30.0898 -4.9787 0.0000 C 0 0 29.8323 -4.1972 0.0000 C 0 0 30.3825 -3.5825 0.0000 Cl 0 0 21.5527 -5.8707 0.0000 O 0 0 20.8380 -5.4586 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 4 10 2 0 2 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 13 15 2 0 13 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 23 1 0 7 23 1 0 28 29 1 0 20 30 1 0 30 31 1 0 M END > CHEMBL2178115 > 0 $$$$ CHEMBL2179105 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 14.3774 -24.7147 0.0000 C 0 0 15.0841 -25.1233 0.0000 N 0 0 15.7908 -24.7147 0.0000 C 0 0 15.7908 -23.8975 0.0000 C 0 0 15.0841 -23.4889 0.0000 C 0 0 14.3774 -23.8975 0.0000 N 0 0 17.0479 -24.3061 0.0000 N 0 0 16.5695 -24.9645 0.0000 N 0 0 16.5695 -23.6435 0.0000 C 0 0 15.0841 -22.6717 0.0000 O 0 0 17.8751 -26.6885 0.0000 C 0 0 17.6212 -25.9139 0.0000 C 0 0 16.8235 -25.7432 0.0000 C 0 0 16.2756 -26.3513 0.0000 C 0 0 16.5254 -27.1259 0.0000 C 0 0 17.3272 -27.2965 0.0000 O 0 0 12.7831 -26.1031 0.0000 N 0 0 13.5850 -25.9366 0.0000 C 0 0 13.6707 -25.1233 0.0000 C 0 0 2 0 0 0 12.9224 -24.7884 0.0000 C 0 0 1 0 0 0 12.3745 -25.3964 0.0000 C 0 0 12.7518 -23.9906 0.0000 C 0 0 12.3820 -26.8153 0.0000 C 0 0 11.5648 -26.8241 0.0000 C 0 0 11.1532 -26.1199 0.0000 N 0 0 10.3368 -26.1283 0.0000 C 0 0 9.9351 -26.8409 0.0000 C 0 0 10.3557 -27.5465 0.0000 C 0 0 11.1707 -27.5346 0.0000 N 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 1 6 1 0 7 8 1 0 7 9 2 0 3 8 1 0 4 9 1 0 5 10 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 11 16 1 0 8 13 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 17 21 1 0 20 22 1 1 19 1 1 6 17 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 M END > CHEMBL2179105 > 1 $$$$ CHEMBL2206226 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 2.5410 -30.0008 0.0000 N 0 0 2.5398 -30.8203 0.0000 C 0 0 3.2479 -31.2293 0.0000 C 0 0 3.9575 -30.8198 0.0000 N 0 0 3.9547 -29.9972 0.0000 C 0 0 3.2461 -29.5919 0.0000 C 0 0 4.6609 -29.5859 0.0000 O 0 0 5.3701 -29.9919 0.0000 C 0 0 5.3698 -30.8067 0.0000 C 0 0 6.0783 -31.2126 0.0000 C 0 0 6.7854 -30.8012 0.0000 C 0 0 6.7797 -29.9798 0.0000 C 0 0 6.0707 -29.5777 0.0000 C 0 0 3.2436 -28.7747 0.0000 N 0 0 3.9520 -28.3647 0.0000 C 0 0 3.9515 -27.5511 0.0000 C 0 0 3.2444 -27.1408 0.0000 C 0 0 2.5361 -27.5503 0.0000 C 0 0 2.5349 -28.3701 0.0000 C 0 0 3.2451 -26.3236 0.0000 C 0 0 2.5377 -25.9144 0.0000 O 0 0 7.4952 -31.2062 0.0000 N 0 0 8.2008 -30.7940 0.0000 C 0 0 8.9493 -31.1218 0.0000 S 0 0 8.2824 -29.9802 0.0000 N 0 0 9.0808 -29.8061 0.0000 C 0 0 9.4900 -30.5124 0.0000 C 0 0 10.3044 -30.5102 0.0000 C 0 0 10.7107 -29.8024 0.0000 C 0 0 10.2965 -29.0954 0.0000 C 0 0 9.4834 -29.1011 0.0000 C 0 0 3.9531 -25.9156 0.0000 O 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 20 32 2 0 M END > CHEMBL2206226 > 0 $$$$ CHEMBL2206225 SciTegic12291823182D 36 40 0 0 0 0 999 V2000 14.1962 -21.9651 0.0000 N 0 0 14.1951 -22.7846 0.0000 C 0 0 14.9031 -23.1936 0.0000 C 0 0 15.6128 -22.7841 0.0000 N 0 0 15.6100 -21.9615 0.0000 C 0 0 14.9014 -21.5562 0.0000 C 0 0 16.3161 -21.5502 0.0000 O 0 0 17.0254 -21.9561 0.0000 C 0 0 17.0251 -22.7710 0.0000 C 0 0 17.7335 -23.1768 0.0000 C 0 0 18.4407 -22.7655 0.0000 C 0 0 18.4350 -21.9441 0.0000 C 0 0 17.7260 -21.5420 0.0000 C 0 0 14.8989 -20.7390 0.0000 N 0 0 15.6073 -20.3290 0.0000 C 0 0 15.6068 -19.5154 0.0000 C 0 0 14.8997 -19.1051 0.0000 C 0 0 14.1914 -19.5146 0.0000 C 0 0 14.1902 -20.3344 0.0000 C 0 0 14.9003 -18.2879 0.0000 C 0 0 14.1930 -17.8787 0.0000 O 0 0 19.1505 -23.1705 0.0000 N 0 0 19.8561 -22.7583 0.0000 C 0 0 20.6046 -23.0861 0.0000 S 0 0 19.9377 -21.9444 0.0000 N 0 0 20.7361 -21.7704 0.0000 C 0 0 21.1453 -22.4767 0.0000 C 0 0 21.9597 -22.4745 0.0000 C 0 0 22.3660 -21.7667 0.0000 C 0 0 21.9518 -21.0597 0.0000 C 0 0 21.1387 -21.0653 0.0000 C 0 0 15.6084 -17.8799 0.0000 C 0 0 14.8952 -17.4706 0.0000 C 0 0 16.3158 -18.2890 0.0000 F 0 0 15.6090 -17.0627 0.0000 F 0 0 16.3108 -17.4664 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 20 32 1 0 20 33 1 0 32 34 1 0 32 35 1 0 32 36 1 0 M END > CHEMBL2206225 > 0 $$$$ CHEMBL2206224 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 2.9014 -18.6303 0.0000 C 0 0 2.1984 -22.3076 0.0000 N 0 0 2.1973 -23.1272 0.0000 C 0 0 2.9053 -23.5361 0.0000 C 0 0 3.6150 -23.1267 0.0000 N 0 0 3.6121 -22.3040 0.0000 C 0 0 2.9035 -21.8988 0.0000 C 0 0 4.3183 -21.8928 0.0000 O 0 0 5.0275 -22.2987 0.0000 C 0 0 5.0273 -23.1136 0.0000 C 0 0 5.7357 -23.5194 0.0000 C 0 0 6.4428 -23.1081 0.0000 C 0 0 6.4371 -22.2867 0.0000 C 0 0 5.7281 -21.8845 0.0000 C 0 0 2.9011 -21.0816 0.0000 N 0 0 3.6094 -20.6716 0.0000 C 0 0 3.6090 -19.8580 0.0000 C 0 0 2.9018 -19.4476 0.0000 C 0 0 2.1935 -19.8571 0.0000 C 0 0 2.1924 -20.6769 0.0000 C 0 0 2.1951 -18.2213 0.0000 O 0 0 7.1526 -23.5131 0.0000 N 0 0 7.8582 -23.1009 0.0000 C 0 0 8.6068 -23.4287 0.0000 S 0 0 7.9398 -22.2870 0.0000 N 0 0 8.7382 -22.1129 0.0000 C 0 0 9.1474 -22.8192 0.0000 C 0 0 9.9619 -22.8171 0.0000 C 0 0 10.3681 -22.1093 0.0000 C 0 0 9.9539 -21.4022 0.0000 C 0 0 9.1408 -21.4079 0.0000 C 0 0 3.6093 -18.2220 0.0000 C 0 0 2.8973 -17.8131 0.0000 C 0 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 7 15 1 0 15 16 1 0 15 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 1 1 0 1 21 1 0 12 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 1 32 1 0 1 33 1 0 M END > CHEMBL2206224 > 0 $$$$ CHEMBL2206223 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 14.2912 -14.3256 0.0000 N 0 0 14.2900 -15.1451 0.0000 C 0 0 14.9981 -15.5541 0.0000 C 0 0 15.7077 -15.1446 0.0000 N 0 0 15.7049 -14.3220 0.0000 C 0 0 14.9963 -13.9167 0.0000 C 0 0 16.4111 -13.9107 0.0000 O 0 0 17.1203 -14.3166 0.0000 C 0 0 17.1201 -15.1315 0.0000 C 0 0 17.8285 -15.5373 0.0000 C 0 0 18.5356 -15.1260 0.0000 C 0 0 18.5299 -14.3046 0.0000 C 0 0 17.8209 -13.9025 0.0000 C 0 0 14.9938 -13.0995 0.0000 N 0 0 15.7022 -12.6895 0.0000 C 0 0 15.7017 -11.8759 0.0000 C 0 0 14.9946 -11.4656 0.0000 C 0 0 14.2863 -11.8751 0.0000 C 0 0 14.2852 -12.6949 0.0000 C 0 0 14.9953 -10.6484 0.0000 C 0 0 14.2879 -10.2392 0.0000 O 0 0 19.2454 -15.5310 0.0000 N 0 0 19.9510 -15.1188 0.0000 C 0 0 20.6995 -15.4466 0.0000 S 0 0 20.0326 -14.3049 0.0000 N 0 0 20.8310 -14.1309 0.0000 C 0 0 21.2402 -14.8372 0.0000 C 0 0 22.0547 -14.8350 0.0000 C 0 0 22.4609 -14.1272 0.0000 C 0 0 22.0467 -13.4202 0.0000 C 0 0 21.2336 -13.4258 0.0000 C 0 0 15.7033 -10.2404 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 20 32 1 0 M END > CHEMBL2206223 > 0 $$$$ CHEMBL2206222 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 2.1695 -14.6310 0.0000 N 0 0 2.1684 -15.4505 0.0000 C 0 0 2.8764 -15.8595 0.0000 C 0 0 3.5861 -15.4501 0.0000 N 0 0 3.5832 -14.6274 0.0000 C 0 0 2.8746 -14.2221 0.0000 C 0 0 4.2894 -14.2161 0.0000 O 0 0 4.9986 -14.6221 0.0000 C 0 0 4.9984 -15.4369 0.0000 C 0 0 5.7068 -15.8428 0.0000 C 0 0 6.4139 -15.4314 0.0000 C 0 0 6.4082 -14.6100 0.0000 C 0 0 5.6992 -14.2079 0.0000 C 0 0 2.8722 -13.4049 0.0000 N 0 0 3.5805 -12.9949 0.0000 C 0 0 3.5801 -12.1813 0.0000 C 0 0 2.8730 -11.7710 0.0000 C 0 0 2.1647 -12.1805 0.0000 C 0 0 2.1635 -13.0003 0.0000 C 0 0 2.8736 -10.9538 0.0000 C 0 0 2.1662 -10.5446 0.0000 O 0 0 7.1237 -15.8364 0.0000 N 0 0 7.8293 -15.4242 0.0000 C 0 0 8.5779 -15.7520 0.0000 S 0 0 7.9110 -14.6104 0.0000 N 0 0 8.7094 -14.4363 0.0000 C 0 0 9.1186 -15.1426 0.0000 C 0 0 9.9330 -15.1404 0.0000 C 0 0 10.3392 -14.4326 0.0000 C 0 0 9.9250 -13.7256 0.0000 C 0 0 9.1119 -13.7313 0.0000 C 0 0 1.4582 -10.9527 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 21 32 1 0 M END > CHEMBL2206222 > 0 $$$$ CHEMBL2206221 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 14.5718 -6.0298 0.0000 N 0 0 14.5707 -6.8494 0.0000 C 0 0 15.2787 -7.2583 0.0000 C 0 0 15.9884 -6.8489 0.0000 N 0 0 15.9856 -6.0262 0.0000 C 0 0 15.2769 -5.6210 0.0000 C 0 0 16.6917 -5.6150 0.0000 O 0 0 17.4010 -6.0209 0.0000 C 0 0 17.4007 -6.8358 0.0000 C 0 0 18.1091 -7.2416 0.0000 C 0 0 18.8163 -6.8303 0.0000 C 0 0 18.8105 -6.0089 0.0000 C 0 0 18.1016 -5.6067 0.0000 C 0 0 15.2745 -4.8038 0.0000 N 0 0 15.9829 -4.3938 0.0000 C 0 0 15.9824 -3.5802 0.0000 C 0 0 15.2753 -3.1699 0.0000 C 0 0 14.5670 -3.5793 0.0000 C 0 0 14.5658 -4.3991 0.0000 C 0 0 15.2759 -2.3527 0.0000 C 0 0 14.5685 -1.9435 0.0000 O 0 0 19.5260 -7.2353 0.0000 N 0 0 20.2317 -6.8231 0.0000 C 0 0 20.9802 -7.1509 0.0000 S 0 0 20.3133 -6.0092 0.0000 N 0 0 21.1117 -5.8351 0.0000 C 0 0 21.5209 -6.5415 0.0000 C 0 0 22.3353 -6.5393 0.0000 C 0 0 22.7415 -5.8315 0.0000 C 0 0 22.3273 -5.1244 0.0000 C 0 0 21.5143 -5.1301 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206221 > 0 $$$$ CHEMBL2206220 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 2.4708 -5.8606 0.0000 N 0 0 2.4696 -6.6802 0.0000 C 0 0 3.1777 -7.0891 0.0000 C 0 0 3.8874 -6.6797 0.0000 N 0 0 3.8845 -5.8570 0.0000 C 0 0 3.1759 -5.4518 0.0000 C 0 0 4.5907 -5.4458 0.0000 O 0 0 5.2999 -5.8517 0.0000 C 0 0 5.2997 -6.6666 0.0000 C 0 0 6.0081 -7.0724 0.0000 C 0 0 6.7152 -6.6611 0.0000 C 0 0 6.7095 -5.8397 0.0000 C 0 0 6.0005 -5.4375 0.0000 C 0 0 3.1735 -4.6346 0.0000 N 0 0 3.8818 -4.2246 0.0000 C 0 0 3.8814 -3.4109 0.0000 C 0 0 3.1742 -3.0006 0.0000 C 0 0 2.4659 -3.4101 0.0000 C 0 0 2.4648 -4.2299 0.0000 C 0 0 3.1749 -2.1834 0.0000 C 0 0 2.4675 -1.7743 0.0000 O 0 0 7.4250 -7.0661 0.0000 N 0 0 8.1306 -6.6539 0.0000 C 0 0 8.8792 -6.9816 0.0000 O 0 0 8.2122 -5.8400 0.0000 N 0 0 9.0106 -5.6659 0.0000 C 0 0 9.4198 -6.3722 0.0000 C 0 0 10.2343 -6.3701 0.0000 C 0 0 10.6405 -5.6623 0.0000 C 0 0 10.2263 -4.9552 0.0000 C 0 0 9.4132 -4.9609 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206220 > 0 $$$$ CHEMBL2206219 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 14.1054 -29.1960 0.0000 N 0 0 14.1043 -30.0155 0.0000 C 0 0 14.8123 -30.4245 0.0000 C 0 0 15.5220 -30.0150 0.0000 N 0 0 15.5192 -29.1924 0.0000 C 0 0 14.8106 -28.7871 0.0000 C 0 0 16.2253 -28.7811 0.0000 O 0 0 16.9346 -29.1870 0.0000 C 0 0 16.9343 -30.0019 0.0000 C 0 0 17.6427 -30.4078 0.0000 C 0 0 18.3499 -29.9964 0.0000 C 0 0 18.3442 -29.1750 0.0000 C 0 0 17.6352 -28.7729 0.0000 C 0 0 14.8081 -27.9699 0.0000 N 0 0 15.5165 -27.5599 0.0000 C 0 0 15.5160 -26.7463 0.0000 C 0 0 14.8089 -26.3360 0.0000 C 0 0 14.1006 -26.7455 0.0000 C 0 0 14.0994 -27.5653 0.0000 C 0 0 14.8095 -25.5188 0.0000 C 0 0 14.1022 -25.1096 0.0000 O 0 0 19.0597 -30.4014 0.0000 N 0 0 19.7653 -29.9892 0.0000 C 0 0 20.5138 -30.3170 0.0000 N 0 0 19.8469 -29.1754 0.0000 N 0 0 20.6453 -29.0013 0.0000 C 0 0 21.0545 -29.7076 0.0000 C 0 0 21.8689 -29.7054 0.0000 C 0 0 22.2752 -28.9976 0.0000 C 0 0 21.8610 -28.2906 0.0000 C 0 0 21.0479 -28.2962 0.0000 C 0 0 20.6891 -31.1152 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 24 32 1 0 M END > CHEMBL2206219 > 0 $$$$ CHEMBL2206218 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 1.9631 -30.2195 0.0000 N 0 0 1.9620 -31.0391 0.0000 C 0 0 2.6700 -31.4480 0.0000 C 0 0 3.3797 -31.0386 0.0000 N 0 0 3.3769 -30.2159 0.0000 C 0 0 2.6683 -29.8107 0.0000 C 0 0 4.0830 -29.8047 0.0000 O 0 0 4.7923 -30.2106 0.0000 C 0 0 4.7920 -31.0255 0.0000 C 0 0 5.5004 -31.4313 0.0000 C 0 0 6.2076 -31.0200 0.0000 C 0 0 6.2019 -30.1986 0.0000 C 0 0 5.4929 -29.7964 0.0000 C 0 0 2.6658 -28.9935 0.0000 N 0 0 3.3742 -28.5835 0.0000 C 0 0 3.3737 -27.7699 0.0000 C 0 0 2.6666 -27.3595 0.0000 C 0 0 1.9583 -27.7690 0.0000 C 0 0 1.9571 -28.5888 0.0000 C 0 0 2.6672 -26.5423 0.0000 C 0 0 1.9599 -26.1332 0.0000 O 0 0 6.9174 -31.4250 0.0000 N 0 0 7.6230 -31.0128 0.0000 C 0 0 8.3715 -31.3405 0.0000 N 0 0 7.7046 -30.1989 0.0000 N 0 0 8.5030 -30.0248 0.0000 C 0 0 8.9122 -30.7311 0.0000 C 0 0 9.7266 -30.7290 0.0000 C 0 0 10.1328 -30.0212 0.0000 C 0 0 9.7187 -29.3141 0.0000 C 0 0 8.9056 -29.3198 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206218 > 0 $$$$ CHEMBL2206217 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 13.5648 -21.7587 0.0000 N 0 0 13.5636 -22.5782 0.0000 N 0 0 14.2717 -22.9872 0.0000 C 0 0 14.9813 -22.5778 0.0000 C 0 0 14.9785 -21.7551 0.0000 C 0 0 14.2699 -21.3498 0.0000 C 0 0 15.6847 -21.3439 0.0000 O 0 0 16.3939 -21.7498 0.0000 C 0 0 16.3937 -22.5646 0.0000 C 0 0 17.1021 -22.9705 0.0000 C 0 0 17.8092 -22.5592 0.0000 C 0 0 17.8035 -21.7378 0.0000 C 0 0 17.0945 -21.3356 0.0000 C 0 0 14.2675 -20.5327 0.0000 N 0 0 14.9758 -20.1227 0.0000 C 0 0 14.9754 -19.3090 0.0000 C 0 0 14.2682 -18.8987 0.0000 C 0 0 13.5599 -19.3082 0.0000 C 0 0 13.5588 -20.1280 0.0000 C 0 0 14.2689 -18.0815 0.0000 C 0 0 13.5615 -17.6724 0.0000 O 0 0 18.5190 -22.9642 0.0000 N 0 0 19.2246 -22.5520 0.0000 C 0 0 19.9732 -22.8797 0.0000 N 0 0 19.3062 -21.7381 0.0000 N 0 0 20.1046 -21.5640 0.0000 C 0 0 20.5138 -22.2703 0.0000 C 0 0 21.3283 -22.2681 0.0000 C 0 0 21.7345 -21.5604 0.0000 C 0 0 21.3203 -20.8533 0.0000 C 0 0 20.5072 -20.8590 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206217 > 0 $$$$ CHEMBL2206216 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 2.0663 -21.7835 0.0000 N 0 0 2.0652 -22.6030 0.0000 C 0 0 2.7732 -23.0120 0.0000 N 0 0 3.4829 -22.6025 0.0000 C 0 0 3.4801 -21.7799 0.0000 C 0 0 2.7714 -21.3746 0.0000 C 0 0 4.1862 -21.3686 0.0000 O 0 0 4.8955 -21.7745 0.0000 C 0 0 4.8952 -22.5894 0.0000 C 0 0 5.6036 -22.9953 0.0000 C 0 0 6.3108 -22.5839 0.0000 C 0 0 6.3050 -21.7625 0.0000 C 0 0 5.5961 -21.3604 0.0000 C 0 0 2.7690 -20.5574 0.0000 N 0 0 3.4774 -20.1474 0.0000 C 0 0 3.4769 -19.3338 0.0000 C 0 0 2.7698 -18.9235 0.0000 C 0 0 2.0615 -19.3330 0.0000 C 0 0 2.0603 -20.1528 0.0000 C 0 0 2.7704 -18.1063 0.0000 C 0 0 2.0630 -17.6971 0.0000 O 0 0 7.0205 -22.9889 0.0000 N 0 0 7.7262 -22.5767 0.0000 C 0 0 8.4747 -22.9045 0.0000 N 0 0 7.8078 -21.7628 0.0000 N 0 0 8.6062 -21.5888 0.0000 C 0 0 9.0154 -22.2951 0.0000 C 0 0 9.8298 -22.2929 0.0000 C 0 0 10.2360 -21.5851 0.0000 C 0 0 9.8218 -20.8781 0.0000 C 0 0 9.0088 -20.8837 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206216 > 0 $$$$ CHEMBL2206215 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 13.3171 -13.6157 0.0000 C 0 0 13.3160 -14.4352 0.0000 N 0 0 14.0240 -14.8442 0.0000 C 0 0 14.7337 -14.4348 0.0000 C 0 0 14.7309 -13.6121 0.0000 C 0 0 14.0223 -13.2068 0.0000 C 0 0 15.4370 -13.2008 0.0000 O 0 0 16.1463 -13.6068 0.0000 C 0 0 16.1460 -14.4216 0.0000 C 0 0 16.8544 -14.8275 0.0000 C 0 0 17.5616 -14.4161 0.0000 C 0 0 17.5559 -13.5947 0.0000 C 0 0 16.8469 -13.1926 0.0000 C 0 0 14.0198 -12.3896 0.0000 N 0 0 14.7282 -11.9796 0.0000 C 0 0 14.7277 -11.1660 0.0000 C 0 0 14.0206 -10.7557 0.0000 C 0 0 13.3123 -11.1652 0.0000 C 0 0 13.3111 -11.9850 0.0000 C 0 0 14.0212 -9.9385 0.0000 C 0 0 13.3139 -9.5293 0.0000 O 0 0 18.2714 -14.8211 0.0000 N 0 0 18.9770 -14.4089 0.0000 C 0 0 19.7255 -14.7367 0.0000 N 0 0 19.0586 -13.5951 0.0000 N 0 0 19.8570 -13.4210 0.0000 C 0 0 20.2662 -14.1273 0.0000 C 0 0 21.0806 -14.1251 0.0000 C 0 0 21.4869 -13.4173 0.0000 C 0 0 21.0727 -12.7103 0.0000 C 0 0 20.2596 -12.7160 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206215 > 0 $$$$ CHEMBL2206214 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 1.5711 -13.7395 0.0000 N 0 0 1.5699 -14.5590 0.0000 C 0 0 2.2780 -14.9680 0.0000 C 0 0 2.9876 -14.5586 0.0000 C 0 0 2.9848 -13.7359 0.0000 C 0 0 2.2762 -13.3306 0.0000 C 0 0 3.6910 -13.3246 0.0000 O 0 0 4.4002 -13.7306 0.0000 C 0 0 4.3999 -14.5454 0.0000 C 0 0 5.1084 -14.9513 0.0000 C 0 0 5.8155 -14.5400 0.0000 C 0 0 5.8098 -13.7186 0.0000 C 0 0 5.1008 -13.3164 0.0000 C 0 0 2.2737 -12.5135 0.0000 N 0 0 2.9821 -12.1035 0.0000 C 0 0 2.9816 -11.2898 0.0000 C 0 0 2.2745 -10.8795 0.0000 C 0 0 1.5662 -11.2890 0.0000 C 0 0 1.5650 -12.1088 0.0000 C 0 0 2.2752 -10.0623 0.0000 C 0 0 1.5678 -9.6532 0.0000 O 0 0 6.5253 -14.9449 0.0000 N 0 0 7.2309 -14.5328 0.0000 C 0 0 7.9794 -14.8605 0.0000 N 0 0 7.3125 -13.7189 0.0000 N 0 0 8.1109 -13.5448 0.0000 C 0 0 8.5201 -14.2511 0.0000 C 0 0 9.3345 -14.2489 0.0000 C 0 0 9.7408 -13.5412 0.0000 C 0 0 9.3266 -12.8341 0.0000 C 0 0 8.5135 -12.8398 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206214 > 0 $$$$ CHEMBL2206213 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 13.5070 -5.0104 0.0000 C 0 0 13.5059 -5.8300 0.0000 C 0 0 14.2139 -6.2389 0.0000 C 0 0 14.9236 -5.8295 0.0000 C 0 0 14.9207 -5.0068 0.0000 C 0 0 14.2121 -4.6016 0.0000 C 0 0 15.6269 -4.5956 0.0000 O 0 0 16.3361 -5.0015 0.0000 C 0 0 16.3359 -5.8163 0.0000 C 0 0 17.0443 -6.2222 0.0000 C 0 0 17.7514 -5.8109 0.0000 C 0 0 17.7457 -4.9895 0.0000 C 0 0 17.0367 -4.5873 0.0000 C 0 0 14.2097 -3.7844 0.0000 N 0 0 14.9180 -3.3744 0.0000 C 0 0 14.9176 -2.5607 0.0000 C 0 0 14.2105 -2.1504 0.0000 C 0 0 13.5022 -2.5599 0.0000 C 0 0 13.5010 -3.3797 0.0000 C 0 0 14.2111 -1.3332 0.0000 C 0 0 13.5037 -0.9241 0.0000 O 0 0 18.4612 -6.2159 0.0000 N 0 0 19.1668 -5.8037 0.0000 C 0 0 19.9154 -6.1314 0.0000 N 0 0 19.2485 -4.9898 0.0000 N 0 0 20.0469 -4.8157 0.0000 C 0 0 20.4560 -5.5220 0.0000 C 0 0 21.2705 -5.5198 0.0000 C 0 0 21.6767 -4.8121 0.0000 C 0 0 21.2625 -4.1050 0.0000 C 0 0 20.4494 -4.1107 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206213 > 0 $$$$ CHEMBL2206212 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 1.4514 -5.5057 0.0000 C 0 0 1.4502 -6.3252 0.0000 C 0 0 2.1583 -6.7342 0.0000 C 0 0 2.8679 -6.3247 0.0000 N 0 0 2.8651 -5.5021 0.0000 C 0 0 2.1565 -5.0968 0.0000 C 0 0 3.5713 -5.0908 0.0000 O 0 0 4.2805 -5.4968 0.0000 C 0 0 4.2803 -6.3116 0.0000 C 0 0 4.9887 -6.7175 0.0000 C 0 0 5.6958 -6.3061 0.0000 C 0 0 5.6901 -5.4847 0.0000 C 0 0 4.9811 -5.0826 0.0000 C 0 0 2.1540 -4.2796 0.0000 N 0 0 2.8624 -3.8696 0.0000 C 0 0 2.8619 -3.0560 0.0000 C 0 0 2.1548 -2.6457 0.0000 C 0 0 1.4465 -3.0552 0.0000 C 0 0 1.4453 -3.8750 0.0000 C 0 0 2.1555 -1.8285 0.0000 C 0 0 1.4481 -1.4193 0.0000 O 0 0 6.4056 -6.7111 0.0000 N 0 0 7.1112 -6.2989 0.0000 C 0 0 7.8597 -6.6267 0.0000 N 0 0 7.1928 -5.4851 0.0000 N 0 0 7.9912 -5.3110 0.0000 C 0 0 8.4004 -6.0173 0.0000 C 0 0 9.2149 -6.0151 0.0000 C 0 0 9.6211 -5.3073 0.0000 C 0 0 9.2069 -4.6003 0.0000 C 0 0 8.3938 -4.6060 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 6 14 1 0 14 15 1 0 14 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 11 22 1 0 22 23 1 0 23 24 1 0 24 27 1 0 26 25 1 0 25 23 2 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 M END > CHEMBL2206212 > 0 $$$$ CHEMBL2313234 SciTegic12291823182D 28 32 0 0 0 0 999 V2000 21.6530 -3.9025 0.0000 C 0 0 22.3611 -4.3115 0.0000 C 0 0 23.0707 -3.9021 0.0000 C 0 0 23.0679 -3.0794 0.0000 C 0 0 21.6541 -3.0830 0.0000 C 0 0 22.3584 -2.6720 0.0000 C 0 0 20.9440 -1.8660 0.0000 C 0 0 20.9461 -2.6831 0.0000 N 0 0 21.6483 -1.4551 0.0000 C 0 0 22.3569 -1.8628 0.0000 N 0 0 22.9637 -1.3148 0.0000 C 0 0 22.6300 -0.5684 0.0000 N 0 0 21.8171 -0.6551 0.0000 N 0 0 20.2348 -1.4600 0.0000 C 0 0 23.7626 -1.4818 0.0000 C 0 0 24.0153 -2.2601 0.0000 C 0 0 24.8141 -2.4290 0.0000 C 0 0 25.3609 -1.8205 0.0000 C 0 0 25.1034 -1.0405 0.0000 C 0 0 24.3053 -0.8753 0.0000 C 0 0 24.0495 -0.0992 0.0000 Cl 0 0 23.7791 -4.3095 0.0000 C 0 0 24.4861 -3.8998 0.0000 N 0 0 25.1928 -4.3129 0.0000 C 0 0 25.8978 -3.9067 0.0000 C 0 0 25.9007 -3.0892 0.0000 O 0 0 25.1925 -2.6795 0.0000 C 0 0 24.4814 -3.0874 0.0000 C 0 0 5 1 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 6 2 0 5 6 1 0 5 8 1 0 6 10 1 0 9 7 1 0 7 8 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 2 0 7 14 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 11 15 1 0 20 21 1 0 3 22 1 0 22 23 1 0 23 24 1 0 23 28 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 M END > CHEMBL2313234 > 1 $$$$ CHEMBL2337955 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 8.1359 -3.8744 0.0000 C 0 0 7.4310 -4.2830 0.0000 C 0 0 7.4310 -5.1002 0.0000 C 0 0 1 0 0 0 8.1359 -5.5088 0.0000 C 0 0 8.8450 -5.1002 0.0000 N 0 0 8.8450 -4.2830 0.0000 N 0 0 8.1359 -3.0572 0.0000 O 0 0 6.7219 -5.5088 0.0000 C 0 0 7.4310 -6.7346 0.0000 C 0 0 8.1359 -6.3260 0.0000 C 0 0 8.8450 -6.7346 0.0000 C 0 0 8.8450 -7.5518 0.0000 C 0 0 8.1359 -7.9604 0.0000 C 0 0 7.4310 -7.5518 0.0000 N 0 0 6.6496 -7.8023 0.0000 N 0 0 6.1736 -7.1432 0.0000 C 0 0 6.6496 -6.4799 0.0000 C 0 0 5.3564 -7.1432 0.0000 C 0 0 8.1359 -8.7776 0.0000 O 0 0 8.8450 -9.1862 0.0000 C 0 0 4.9478 -7.8509 0.0000 F 0 0 4.9478 -6.4355 0.0000 F 0 0 4.5400 -7.1401 0.0000 F 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 1 0 1 7 2 0 3 8 1 1 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 1 0 15 16 2 0 16 17 1 0 14 15 1 0 9 17 2 0 16 18 1 0 19 20 1 0 13 19 1 0 4 10 1 0 18 21 1 0 18 22 1 0 18 23 1 0 M END > CHEMBL2337955 > 1 $$$$ CHEMBL2337975 SciTegic12291823182D 44 48 0 0 0 0 999 V2000 4.6480 -20.3286 0.0000 F 0 0 8.9083 -20.3577 0.0000 C 0 0 11.8303 -20.4967 0.0000 C 0 0 13.4129 -24.6993 0.0000 O 0 0 5.3474 -21.5642 0.0000 C 0 0 12.0835 -19.7156 0.0000 O 0 0 12.2246 -22.5409 0.0000 C 0 0 10.3290 -20.3660 0.0000 C 0 0 13.0182 -23.9771 0.0000 C 0 0 11.8321 -21.8233 0.0000 C 0 0 13.6050 -21.9557 0.0000 S 0 0 6.7708 -20.7535 0.0000 C 0 0 13.1109 -21.3283 0.0000 C 0 0 12.3126 -21.1600 0.0000 C 0 0 12.1963 -23.9621 0.0000 C 0 0 13.0429 -22.5580 0.0000 C 0 0 12.9981 -20.7045 0.0000 C 0 0 12.9898 -25.4023 0.0000 C 0 0 11.0535 -21.5721 0.0000 N 0 0 6.0650 -20.3389 0.0000 C 0 0 6.7697 -21.5706 0.0000 C 0 0 9.6163 -20.7702 0.0000 C 0 0 8.1915 -20.7618 0.0000 C 0 0 13.4377 -23.2760 0.0000 C 0 0 14.2463 -23.1161 0.0000 N 0 0 5.3527 -20.7424 0.0000 C 0 0 7.4835 -20.3493 0.0000 O 0 0 4.6783 -22.0372 0.0000 C 0 0 11.0497 -20.7498 0.0000 N 0 0 14.3453 -22.3054 0.0000 C 0 0 11.7974 -23.2440 0.0000 C 0 0 6.0604 -21.9807 0.0000 C 0 0 6.0714 -19.5217 0.0000 F 0 0 15.0609 -21.9108 0.0000 C 0 0 15.7604 -22.3331 0.0000 F 0 0 15.0769 -21.0937 0.0000 F 0 0 15.7660 -21.4946 0.0000 F 0 0 3.9039 -21.7728 0.0000 C 0 0 3.4128 -22.4304 0.0000 C 0 0 3.8878 -23.1001 0.0000 N 0 0 4.6708 -22.8540 0.0000 N 0 0 2.5957 -22.4204 0.0000 O 0 0 3.8961 -20.9539 0.0000 C 0 0 3.1903 -21.3625 0.0000 C 0 0 14 17 1 0 31 15 1 0 24 25 1 0 25 30 2 0 21 12 1 0 29 8 1 0 14 3 1 0 10 14 1 0 4 18 1 0 7 10 1 0 29 19 1 0 14 13 1 0 9 24 1 0 5 32 1 0 8 22 1 0 32 21 2 0 16 7 1 0 26 5 2 0 12 20 2 0 7 31 2 0 16 24 2 0 20 26 1 0 27 12 1 0 23 27 1 0 5 28 1 0 15 9 2 0 16 11 1 0 3 29 1 0 30 11 1 0 9 4 1 0 2 23 1 0 22 2 1 0 3 6 2 0 19 10 2 0 20 33 1 0 26 1 1 0 30 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 38 39 1 0 28 38 1 0 39 40 1 0 40 41 1 0 41 28 2 0 39 42 2 0 38 43 1 0 38 44 1 0 M END > CHEMBL2337975 > 1 $$$$ CHEMBL2337974 SciTegic12291823182D 44 48 0 0 0 0 999 V2000 4.7966 -12.9697 0.0000 F 0 0 9.0569 -12.9988 0.0000 C 0 0 11.9789 -13.1379 0.0000 C 0 0 13.5615 -17.3405 0.0000 O 0 0 5.4960 -14.2053 0.0000 C 0 0 12.2321 -12.3567 0.0000 O 0 0 12.3732 -15.1821 0.0000 C 0 0 10.4776 -13.0071 0.0000 C 0 0 13.1667 -16.6182 0.0000 C 0 0 11.9807 -14.4645 0.0000 C 0 0 13.7536 -14.5968 0.0000 C 0 0 6.9193 -13.3946 0.0000 C 0 0 13.2594 -13.9695 0.0000 C 0 0 12.4612 -13.8012 0.0000 C 0 0 12.3448 -16.6033 0.0000 C 0 0 13.1915 -15.1991 0.0000 N 0 0 13.1467 -13.3456 0.0000 C 0 0 13.1384 -18.0434 0.0000 C 0 0 11.2021 -14.2133 0.0000 N 0 0 6.2135 -12.9801 0.0000 C 0 0 6.9183 -14.2118 0.0000 C 0 0 9.7649 -13.4114 0.0000 C 0 0 8.3400 -13.4030 0.0000 C 0 0 13.5862 -15.9172 0.0000 C 0 0 14.3949 -15.7572 0.0000 N 0 0 5.5013 -13.3835 0.0000 C 0 0 7.6321 -12.9905 0.0000 O 0 0 4.8269 -14.6783 0.0000 C 0 0 11.1983 -13.3910 0.0000 N 0 0 14.4939 -14.9465 0.0000 C 0 0 11.9460 -15.8852 0.0000 C 0 0 6.2090 -14.6219 0.0000 C 0 0 6.2200 -12.1629 0.0000 F 0 0 15.2094 -14.5519 0.0000 C 0 0 15.9090 -14.9743 0.0000 F 0 0 15.2255 -13.7349 0.0000 F 0 0 15.9146 -14.1358 0.0000 F 0 0 4.0525 -14.4140 0.0000 C 0 0 3.5614 -15.0716 0.0000 C 0 0 4.0364 -15.7412 0.0000 N 0 0 4.8194 -15.4952 0.0000 N 0 0 2.7442 -15.0616 0.0000 O 0 0 4.0447 -13.5951 0.0000 C 0 0 3.3389 -14.0037 0.0000 C 0 0 14 17 1 0 31 15 1 0 24 25 2 0 25 30 1 0 21 12 1 0 29 8 1 0 14 3 1 0 10 14 1 0 4 18 1 0 7 10 1 0 29 19 1 0 14 13 1 0 9 24 1 0 5 32 1 0 8 22 1 0 32 21 2 0 16 7 1 0 26 5 2 0 12 20 2 0 7 31 2 0 16 24 1 0 20 26 1 0 27 12 1 0 23 27 1 0 5 28 1 0 15 9 2 0 16 11 1 0 3 29 1 0 30 11 2 0 9 4 1 0 2 23 1 0 22 2 1 0 3 6 2 0 19 10 2 0 20 33 1 0 26 1 1 0 30 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 38 39 1 0 28 38 1 0 39 40 1 0 40 41 1 0 41 28 2 0 39 42 2 0 38 43 1 0 38 44 1 0 M END > CHEMBL2337974 > 1 $$$$ CHEMBL2337973 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 21.5738 -4.8556 0.0000 F 0 0 20.1371 -7.3106 0.0000 C 0 0 25.8341 -4.8847 0.0000 C 0 0 28.7561 -5.0237 0.0000 C 0 0 30.3387 -9.2263 0.0000 O 0 0 22.2732 -6.0912 0.0000 C 0 0 19.4192 -7.7131 0.0000 O 0 0 29.0093 -4.2426 0.0000 O 0 0 29.1504 -7.0679 0.0000 C 0 0 27.2548 -4.8930 0.0000 C 0 0 29.9439 -8.5041 0.0000 C 0 0 28.7579 -6.3503 0.0000 C 0 0 30.5308 -6.4827 0.0000 S 0 0 23.6965 -5.2805 0.0000 C 0 0 30.0366 -5.8553 0.0000 C 0 0 29.2383 -5.6870 0.0000 C 0 0 29.1220 -8.4891 0.0000 C 0 0 29.9687 -7.0850 0.0000 C 0 0 29.9238 -5.2315 0.0000 C 0 0 29.9156 -9.9293 0.0000 C 0 0 20.1451 -6.4894 0.0000 C 0 0 27.9793 -6.0991 0.0000 N 0 0 22.9907 -4.8659 0.0000 C 0 0 23.6955 -6.0976 0.0000 C 0 0 26.5420 -5.2972 0.0000 C 0 0 25.1172 -5.2889 0.0000 C 0 0 30.3634 -7.8030 0.0000 C 0 0 31.1721 -7.6431 0.0000 N 0 0 22.2785 -5.2694 0.0000 C 0 0 21.5618 -7.3211 0.0000 N 0 0 24.4093 -4.8763 0.0000 O 0 0 21.5635 -6.5016 0.0000 C 0 0 20.8551 -6.0837 0.0000 C 0 0 27.9754 -5.2768 0.0000 N 0 0 20.8454 -7.7245 0.0000 N 0 0 31.2710 -6.8324 0.0000 C 0 0 28.7231 -7.7710 0.0000 C 0 0 22.9862 -6.5077 0.0000 C 0 0 22.9971 -4.0488 0.0000 F 0 0 31.9866 -6.4378 0.0000 C 0 0 32.6862 -6.8602 0.0000 F 0 0 32.0026 -5.6207 0.0000 F 0 0 32.6918 -6.0216 0.0000 F 0 0 16 19 1 0 37 17 1 0 35 30 1 0 21 2 1 0 27 28 1 0 28 36 2 0 24 14 1 0 34 10 1 0 16 4 1 0 12 16 1 0 5 20 1 0 9 12 1 0 33 21 1 0 34 22 1 0 16 15 1 0 11 27 1 0 6 38 1 0 10 25 1 0 38 24 2 0 18 9 1 0 29 6 2 0 14 23 2 0 9 37 2 0 2 35 1 0 18 27 2 0 32 30 2 0 23 29 1 0 2 7 2 0 32 33 1 0 31 14 1 0 26 31 1 0 6 32 1 0 17 11 2 0 18 13 1 0 4 34 1 0 36 13 1 0 11 5 1 0 3 26 1 0 25 3 1 0 4 8 2 0 22 12 2 0 23 39 1 0 29 1 1 0 36 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 M END > CHEMBL2337973 > 1 $$$$ CHEMBL2337972 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 4.6150 -3.6463 0.0000 F 0 0 3.1783 -6.1014 0.0000 C 0 0 8.8753 -3.6754 0.0000 C 0 0 11.7973 -3.8145 0.0000 C 0 0 13.3799 -8.0171 0.0000 O 0 0 5.3144 -4.8819 0.0000 C 0 0 2.4604 -6.5038 0.0000 O 0 0 12.0505 -3.0333 0.0000 O 0 0 12.1916 -5.8587 0.0000 C 0 0 10.2960 -3.6837 0.0000 C 0 0 12.9851 -7.2948 0.0000 C 0 0 11.7991 -5.1411 0.0000 C 0 0 13.5720 -5.2734 0.0000 C 0 0 6.7377 -4.0712 0.0000 C 0 0 13.0778 -4.6460 0.0000 C 0 0 12.2796 -4.4778 0.0000 C 0 0 12.1632 -7.2799 0.0000 C 0 0 13.0099 -5.8757 0.0000 N 0 0 12.9651 -4.0222 0.0000 C 0 0 12.9568 -8.7200 0.0000 C 0 0 3.1863 -5.2802 0.0000 C 0 0 11.0205 -4.8899 0.0000 N 0 0 6.0319 -3.6567 0.0000 C 0 0 6.7367 -4.8884 0.0000 C 0 0 9.5833 -4.0880 0.0000 C 0 0 8.1584 -4.0796 0.0000 C 0 0 13.4046 -6.5937 0.0000 C 0 0 14.2133 -6.4338 0.0000 N 0 0 5.3197 -4.0601 0.0000 C 0 0 4.6030 -6.1119 0.0000 N 0 0 7.4505 -3.6671 0.0000 O 0 0 4.6047 -5.2923 0.0000 C 0 0 3.8964 -4.8744 0.0000 C 0 0 11.0167 -4.0676 0.0000 N 0 0 3.8867 -6.5152 0.0000 N 0 0 14.3123 -5.6231 0.0000 C 0 0 11.7644 -6.5617 0.0000 C 0 0 6.0274 -5.2984 0.0000 C 0 0 6.0384 -2.8395 0.0000 F 0 0 15.0278 -5.2285 0.0000 C 0 0 15.7274 -5.6509 0.0000 F 0 0 15.0439 -4.4115 0.0000 F 0 0 15.7330 -4.8123 0.0000 F 0 0 16 19 1 0 37 17 1 0 35 30 1 0 21 2 1 0 27 28 2 0 28 36 1 0 24 14 1 0 34 10 1 0 16 4 1 0 12 16 1 0 5 20 1 0 9 12 1 0 33 21 1 0 34 22 1 0 16 15 1 0 11 27 1 0 6 38 1 0 10 25 1 0 38 24 2 0 18 9 1 0 29 6 2 0 14 23 2 0 9 37 2 0 2 35 1 0 18 27 1 0 32 30 2 0 23 29 1 0 2 7 2 0 32 33 1 0 31 14 1 0 26 31 1 0 6 32 1 0 17 11 2 0 18 13 1 0 4 34 1 0 36 13 2 0 11 5 1 0 3 26 1 0 25 3 1 0 4 8 2 0 22 12 2 0 23 39 1 0 29 1 1 0 36 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 M END > CHEMBL2337972 > 1 $$$$ CHEMBL2337971 SciTegic12291823182D 40 44 0 0 0 0 999 V2000 4.6060 -6.5871 0.0000 C 0 0 3.9003 -6.1732 0.0000 C 0 0 3.1929 -6.5751 0.0000 C 0 0 3.1850 -7.3926 0.0000 C 0 0 3.8907 -7.8066 0.0000 N 0 0 4.6043 -7.4030 0.0000 N 0 0 2.4739 -7.7953 0.0000 O 0 0 7.4412 -4.9691 0.0000 O 0 0 6.7311 -5.3735 0.0000 C 0 0 6.0279 -4.9588 0.0000 C 0 0 5.3183 -5.3625 0.0000 C 0 0 5.3131 -6.1806 0.0000 C 0 0 6.0234 -6.5932 0.0000 C 0 0 6.7301 -6.1870 0.0000 C 0 0 10.2720 -4.9856 0.0000 C 0 0 9.5619 -5.3901 0.0000 C 0 0 8.8566 -4.9774 0.0000 C 0 0 8.1465 -5.3818 0.0000 C 0 0 3.9060 -5.3560 0.0000 C 0 0 12.9724 -7.1691 0.0000 C 0 0 12.1578 -7.1522 0.0000 C 0 0 11.7346 -7.8527 0.0000 C 0 0 12.1297 -8.5681 0.0000 C 0 0 12.9479 -8.5829 0.0000 C 0 0 13.3675 -7.8844 0.0000 N 0 0 14.1726 -7.7260 0.0000 N 0 0 14.2706 -6.9189 0.0000 C 0 0 13.5333 -6.5684 0.0000 C 0 0 13.3430 -9.2983 0.0000 O 0 0 12.9198 -9.9987 0.0000 C 0 0 14.9866 -6.5249 0.0000 C 0 0 15.6858 -6.9479 0.0000 C 0 0 11.7690 -6.4373 0.0000 C 0 0 12.2490 -5.7762 0.0000 C 0 0 11.7672 -5.1151 0.0000 C 0 0 10.9899 -5.3699 0.0000 N 0 0 10.9937 -6.1885 0.0000 N 0 0 12.0180 -4.3373 0.0000 O 0 0 12.9280 -5.3250 0.0000 C 0 0 13.0438 -5.9429 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 8 1 0 12 1 1 0 2 19 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 20 25 1 0 26 27 2 0 27 28 1 0 25 26 1 0 20 28 2 0 29 30 1 0 24 29 1 0 27 31 1 0 31 32 1 0 34 35 1 0 33 34 1 0 35 36 1 0 36 37 1 0 37 33 2 0 21 33 1 0 35 38 2 0 34 39 1 0 34 40 1 0 36 15 1 0 M END > CHEMBL2337971 > 1 $$$$ CHEMBL2337970 SciTegic12291823182D 39 43 0 0 0 0 999 V2000 5.7030 -6.6042 0.0000 C 0 0 4.9950 -6.1941 0.0000 C 0 0 4.2898 -6.5999 0.0000 C 0 0 4.2863 -7.4174 0.0000 C 0 0 4.9943 -7.8275 0.0000 N 0 0 5.7057 -7.4201 0.0000 N 0 0 3.5775 -7.8239 0.0000 O 0 0 8.5293 -4.9708 0.0000 O 0 0 7.8214 -5.3791 0.0000 C 0 0 7.1160 -4.9681 0.0000 C 0 0 6.4086 -5.3758 0.0000 C 0 0 6.4078 -6.1938 0.0000 C 0 0 7.1203 -6.6026 0.0000 C 0 0 7.8248 -6.1926 0.0000 C 0 0 12.7767 -4.9723 0.0000 C 0 0 13.4817 -5.3809 0.0000 C 0 0 13.4817 -6.1981 0.0000 C 0 0 12.7767 -6.6067 0.0000 C 0 0 12.0677 -6.1981 0.0000 N 0 0 12.0677 -5.3809 0.0000 N 0 0 12.7767 -4.1551 0.0000 O 0 0 13.4817 -7.8324 0.0000 C 0 0 12.7767 -7.4239 0.0000 C 0 0 12.0677 -7.8324 0.0000 C 0 0 12.0677 -8.6496 0.0000 C 0 0 12.7767 -9.0582 0.0000 C 0 0 13.4817 -8.6496 0.0000 N 0 0 14.2631 -8.9002 0.0000 N 0 0 14.7391 -8.2410 0.0000 C 0 0 14.2631 -7.5778 0.0000 C 0 0 12.7767 -9.8754 0.0000 O 0 0 12.0677 -10.2840 0.0000 C 0 0 11.3601 -4.9720 0.0000 C 0 0 10.6522 -5.3803 0.0000 C 0 0 9.9447 -4.9714 0.0000 C 0 0 9.2368 -5.3797 0.0000 C 0 0 15.5563 -8.2423 0.0000 C 0 0 15.9638 -8.9506 0.0000 C 0 0 4.9963 -5.3769 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 15 20 1 0 15 21 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 22 27 1 0 28 29 2 0 29 30 1 0 27 28 1 0 22 30 2 0 31 32 1 0 26 31 1 0 18 23 1 0 20 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 8 1 0 12 1 1 0 29 37 1 0 37 38 1 0 2 39 1 0 M END > CHEMBL2337970 > 1 $$$$ CHEMBL2337969 SciTegic12291823182D 39 43 0 0 0 0 999 V2000 5.7030 -6.6042 0.0000 C 0 0 4.9950 -6.1941 0.0000 C 0 0 4.2898 -6.5999 0.0000 C 0 0 4.2863 -7.4174 0.0000 C 0 0 4.9943 -7.8275 0.0000 N 0 0 5.7057 -7.4201 0.0000 N 0 0 3.5775 -7.8239 0.0000 O 0 0 8.5293 -4.9708 0.0000 O 0 0 7.8214 -5.3791 0.0000 C 0 0 7.1160 -4.9681 0.0000 C 0 0 6.4086 -5.3758 0.0000 C 0 0 6.4078 -6.1938 0.0000 C 0 0 7.1203 -6.6026 0.0000 C 0 0 7.8248 -6.1926 0.0000 C 0 0 12.7767 -4.9723 0.0000 C 0 0 13.4817 -5.3809 0.0000 C 0 0 13.4817 -6.1981 0.0000 C 0 0 12.7767 -6.6067 0.0000 C 0 0 12.0677 -6.1981 0.0000 N 0 0 12.0677 -5.3809 0.0000 N 0 0 12.7767 -4.1551 0.0000 O 0 0 13.4817 -7.8324 0.0000 C 0 0 12.7767 -7.4239 0.0000 C 0 0 12.0677 -7.8324 0.0000 C 0 0 12.0677 -8.6496 0.0000 C 0 0 12.7767 -9.0582 0.0000 C 0 0 13.4817 -8.6496 0.0000 N 0 0 14.2631 -8.9002 0.0000 N 0 0 14.7391 -8.2410 0.0000 C 0 0 14.2631 -7.5778 0.0000 C 0 0 12.7767 -9.8754 0.0000 O 0 0 12.0677 -10.2840 0.0000 C 0 0 11.3601 -4.9720 0.0000 C 0 0 10.6522 -5.3803 0.0000 C 0 0 9.9447 -4.9714 0.0000 C 0 0 9.2368 -5.3797 0.0000 C 0 0 15.5563 -8.2423 0.0000 C 0 0 15.9638 -8.9506 0.0000 C 0 0 4.9963 -5.3769 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 15 20 1 0 15 21 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 22 27 1 0 28 29 2 0 29 30 1 0 27 28 1 0 22 30 2 0 31 32 1 0 26 31 1 0 18 23 1 0 20 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 8 1 0 12 1 1 0 29 37 1 0 37 38 1 0 2 39 1 0 M END > CHEMBL2337969 > 1 $$$$ CHEMBL2337968 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 3.7467 -24.2935 0.0000 C 0 0 3.0387 -23.8834 0.0000 C 0 0 2.3335 -24.2892 0.0000 C 0 0 2.3300 -25.1067 0.0000 C 0 0 3.0380 -25.5168 0.0000 N 0 0 3.7494 -25.1094 0.0000 N 0 0 1.6211 -25.5133 0.0000 O 0 0 6.5730 -22.6601 0.0000 O 0 0 5.8651 -23.0684 0.0000 C 0 0 5.1597 -22.6574 0.0000 C 0 0 4.4523 -23.0651 0.0000 C 0 0 4.4515 -23.8831 0.0000 C 0 0 5.1640 -24.2919 0.0000 C 0 0 5.8685 -23.8819 0.0000 C 0 0 10.8204 -22.6616 0.0000 C 0 0 11.5254 -23.0702 0.0000 C 0 0 11.5254 -23.8874 0.0000 C 0 0 10.8204 -24.2960 0.0000 C 0 0 10.1114 -23.8874 0.0000 N 0 0 10.1114 -23.0702 0.0000 N 0 0 10.8204 -21.8444 0.0000 O 0 0 12.2345 -24.2960 0.0000 C 0 0 11.5254 -25.5217 0.0000 C 0 0 10.8204 -25.1132 0.0000 C 0 0 10.1114 -25.5217 0.0000 C 0 0 10.1114 -26.3389 0.0000 C 0 0 10.8204 -26.7475 0.0000 C 0 0 11.5254 -26.3389 0.0000 N 0 0 12.3068 -26.5895 0.0000 N 0 0 12.7828 -25.9303 0.0000 C 0 0 12.3068 -25.2671 0.0000 C 0 0 13.6000 -25.9303 0.0000 C 0 0 10.8204 -27.5647 0.0000 O 0 0 10.1114 -27.9733 0.0000 C 0 0 14.0086 -26.6381 0.0000 F 0 0 14.0086 -25.2226 0.0000 F 0 0 14.4164 -25.9273 0.0000 F 0 0 9.4038 -22.6613 0.0000 C 0 0 8.6959 -23.0696 0.0000 C 0 0 7.9884 -22.6607 0.0000 C 0 0 7.2805 -23.0690 0.0000 C 0 0 3.7450 -22.6558 0.0000 F 0 0 5.1616 -21.8403 0.0000 F 0 0 1 2 1 0 1 6 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 15 20 1 0 15 21 2 0 17 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 23 28 1 0 29 30 2 0 30 31 1 0 28 29 1 0 23 31 2 0 30 32 1 0 33 34 1 0 27 33 1 0 18 24 1 0 32 35 1 0 32 36 1 0 32 37 1 0 20 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 8 1 0 12 1 1 0 11 42 1 0 10 43 1 0 M END > CHEMBL2337968 > 1 $$$$ CHEMBL2337967 SciTegic12291823182D 44 48 0 0 0 0 999 V2000 5.3003 -13.1573 0.0000 C 0 0 8.0588 -11.4258 0.0000 O 0 0 7.3509 -11.8341 0.0000 C 0 0 6.6455 -11.4231 0.0000 C 0 0 5.9381 -11.8307 0.0000 C 0 0 5.9373 -12.6488 0.0000 C 0 0 6.6498 -13.0575 0.0000 C 0 0 7.3543 -12.6476 0.0000 C 0 0 12.3062 -11.4273 0.0000 C 0 0 13.0112 -11.8359 0.0000 C 0 0 13.0112 -12.6531 0.0000 C 0 0 12.3062 -13.0616 0.0000 C 0 0 11.5972 -12.6531 0.0000 N 0 0 11.5972 -11.8359 0.0000 N 0 0 12.3062 -10.6101 0.0000 O 0 0 13.7203 -13.0616 0.0000 C 0 0 13.0112 -14.2874 0.0000 C 0 0 12.3062 -13.8788 0.0000 C 0 0 11.5972 -14.2874 0.0000 C 0 0 11.5972 -15.1046 0.0000 C 0 0 12.3062 -15.5132 0.0000 C 0 0 13.0112 -15.1046 0.0000 N 0 0 13.7926 -15.3552 0.0000 N 0 0 14.2686 -14.6960 0.0000 C 0 0 13.7926 -14.0328 0.0000 C 0 0 15.0858 -14.6960 0.0000 C 0 0 12.3062 -16.3304 0.0000 O 0 0 11.5972 -16.7390 0.0000 C 0 0 15.4944 -15.4037 0.0000 F 0 0 15.4944 -13.9883 0.0000 F 0 0 15.9022 -14.6929 0.0000 F 0 0 10.8896 -11.4270 0.0000 C 0 0 10.1817 -11.8353 0.0000 C 0 0 9.4742 -11.4264 0.0000 C 0 0 8.7663 -11.8347 0.0000 C 0 0 4.5116 -12.9425 0.0000 C 0 0 4.0620 -13.6241 0.0000 C 0 0 4.5726 -14.2616 0.0000 N 0 0 5.3360 -13.9718 0.0000 N 0 0 3.2457 -13.6617 0.0000 O 0 0 4.9155 -12.2290 0.0000 C 0 0 4.0983 -12.2290 0.0000 C 0 0 6.6474 -10.6059 0.0000 F 0 0 5.2308 -11.4215 0.0000 F 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 1 0 9 15 2 0 11 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 17 22 1 0 23 24 2 0 24 25 1 0 22 23 1 0 17 25 2 0 24 26 1 0 27 28 1 0 21 27 1 0 12 18 1 0 26 29 1 0 26 30 1 0 26 31 1 0 14 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 2 1 0 6 1 1 0 36 37 1 0 1 36 1 0 37 38 1 0 38 39 1 0 39 1 2 0 37 40 2 0 36 41 1 0 36 42 1 0 4 43 1 0 5 44 1 0 M END > CHEMBL2337967 > 1 $$$$ CHEMBL2337966 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 4.7761 -23.3969 0.0000 C 0 0 7.5346 -21.6654 0.0000 O 0 0 6.8267 -22.0737 0.0000 C 0 0 6.1213 -21.6628 0.0000 C 0 0 5.4140 -22.0704 0.0000 C 0 0 5.4132 -22.8885 0.0000 C 0 0 6.1257 -23.2972 0.0000 C 0 0 6.8302 -22.8872 0.0000 C 0 0 11.7821 -21.6669 0.0000 C 0 0 12.4870 -22.0755 0.0000 C 0 0 12.4870 -22.8927 0.0000 C 0 0 11.7821 -23.3013 0.0000 C 0 0 11.0730 -22.8927 0.0000 N 0 0 11.0730 -22.0755 0.0000 N 0 0 11.7821 -20.8497 0.0000 O 0 0 13.1961 -23.3013 0.0000 C 0 0 12.4870 -24.5271 0.0000 C 0 0 11.7821 -24.1185 0.0000 C 0 0 11.0730 -24.5271 0.0000 C 0 0 11.0730 -25.3443 0.0000 C 0 0 11.7821 -25.7529 0.0000 C 0 0 12.4870 -25.3443 0.0000 N 0 0 13.2684 -25.5948 0.0000 N 0 0 13.7444 -24.9357 0.0000 C 0 0 13.2684 -24.2724 0.0000 C 0 0 14.5616 -24.9357 0.0000 C 0 0 11.7821 -26.5701 0.0000 O 0 0 11.0730 -26.9787 0.0000 C 0 0 14.9702 -25.6434 0.0000 F 0 0 14.9702 -24.2280 0.0000 F 0 0 15.3781 -24.9326 0.0000 F 0 0 10.3655 -21.6666 0.0000 C 0 0 9.6576 -22.0749 0.0000 C 0 0 8.9500 -21.6660 0.0000 C 0 0 8.2422 -22.0743 0.0000 C 0 0 3.9875 -23.1821 0.0000 C 0 0 3.5378 -23.8638 0.0000 C 0 0 4.0484 -24.5013 0.0000 N 0 0 4.8119 -24.2115 0.0000 N 0 0 2.7215 -23.9014 0.0000 O 0 0 4.3914 -22.4686 0.0000 C 0 0 3.5742 -22.4686 0.0000 C 0 0 4.7066 -21.6612 0.0000 F 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 1 0 9 15 2 0 11 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 17 22 1 0 23 24 2 0 24 25 1 0 22 23 1 0 17 25 2 0 24 26 1 0 27 28 1 0 21 27 1 0 12 18 1 0 26 29 1 0 26 30 1 0 26 31 1 0 14 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 2 1 0 6 1 1 0 36 37 1 0 1 36 1 0 37 38 1 0 38 39 1 0 39 1 2 0 37 40 2 0 36 41 1 0 36 42 1 0 5 43 1 0 M END > CHEMBL2337966 > 1 $$$$ CHEMBL2337965 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 4.7761 -23.3969 0.0000 C 0 0 7.5346 -21.6654 0.0000 O 0 0 6.8267 -22.0737 0.0000 C 0 0 6.1213 -21.6628 0.0000 C 0 0 5.4140 -22.0704 0.0000 C 0 0 5.4132 -22.8885 0.0000 C 0 0 6.1257 -23.2972 0.0000 C 0 0 6.8302 -22.8872 0.0000 C 0 0 11.7821 -21.6669 0.0000 C 0 0 12.4870 -22.0755 0.0000 C 0 0 12.4870 -22.8927 0.0000 C 0 0 11.7821 -23.3013 0.0000 C 0 0 11.0730 -22.8927 0.0000 N 0 0 11.0730 -22.0755 0.0000 N 0 0 11.7821 -20.8497 0.0000 O 0 0 13.1961 -23.3013 0.0000 C 0 0 12.4870 -24.5271 0.0000 C 0 0 11.7821 -24.1185 0.0000 C 0 0 11.0730 -24.5271 0.0000 C 0 0 11.0730 -25.3443 0.0000 C 0 0 11.7821 -25.7529 0.0000 C 0 0 12.4870 -25.3443 0.0000 N 0 0 13.2684 -25.5948 0.0000 N 0 0 13.7444 -24.9357 0.0000 C 0 0 13.2684 -24.2724 0.0000 C 0 0 14.5616 -24.9357 0.0000 C 0 0 11.7821 -26.5701 0.0000 O 0 0 11.0730 -26.9787 0.0000 C 0 0 14.9702 -25.6434 0.0000 F 0 0 14.9702 -24.2280 0.0000 F 0 0 15.3781 -24.9326 0.0000 F 0 0 10.3655 -21.6666 0.0000 C 0 0 9.6576 -22.0749 0.0000 C 0 0 8.9500 -21.6660 0.0000 C 0 0 8.2422 -22.0743 0.0000 C 0 0 3.9875 -23.1821 0.0000 C 0 0 3.5378 -23.8638 0.0000 C 0 0 4.0484 -24.5013 0.0000 N 0 0 4.8119 -24.2115 0.0000 N 0 0 2.7215 -23.9014 0.0000 O 0 0 4.3914 -22.4686 0.0000 C 0 0 3.5742 -22.4686 0.0000 C 0 0 6.1233 -20.8456 0.0000 F 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 1 0 9 15 2 0 11 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 17 22 1 0 23 24 2 0 24 25 1 0 22 23 1 0 17 25 2 0 24 26 1 0 27 28 1 0 21 27 1 0 12 18 1 0 26 29 1 0 26 30 1 0 26 31 1 0 14 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 2 1 0 6 1 1 0 36 37 1 0 1 36 1 0 37 38 1 0 38 39 1 0 39 1 2 0 37 40 2 0 36 41 1 0 36 42 1 0 4 43 1 0 M END > CHEMBL2337965 > 1 $$$$ CHEMBL2337964 SciTegic12291823182D 42 46 0 0 0 0 999 V2000 6.7446 -16.0977 0.0000 C 0 0 6.0472 -16.5241 0.0000 C 0 0 6.2346 -17.3189 0.0000 C 0 0 7.0487 -17.3848 0.0000 N 0 0 7.3617 -16.6306 0.0000 N 0 0 5.7019 -17.9385 0.0000 O 0 0 5.8053 -15.7407 0.0000 C 0 0 5.2446 -16.3352 0.0000 C 0 0 8.1496 -13.6503 0.0000 O 0 0 7.4417 -14.0586 0.0000 C 0 0 6.7363 -13.6477 0.0000 C 0 0 6.0289 -14.0553 0.0000 C 0 0 6.0281 -14.8734 0.0000 C 0 0 6.7406 -15.2821 0.0000 C 0 0 7.4451 -14.8722 0.0000 C 0 0 12.3970 -13.6518 0.0000 C 0 0 13.1020 -14.0604 0.0000 C 0 0 13.1020 -14.8776 0.0000 C 0 0 12.3970 -15.2862 0.0000 C 0 0 11.6880 -14.8776 0.0000 N 0 0 11.6880 -14.0604 0.0000 N 0 0 12.3970 -12.8346 0.0000 O 0 0 13.8111 -15.2862 0.0000 C 0 0 13.1020 -16.5120 0.0000 C 0 0 12.3970 -16.1034 0.0000 C 0 0 11.6880 -16.5120 0.0000 C 0 0 11.6880 -17.3292 0.0000 C 0 0 12.3970 -17.7378 0.0000 C 0 0 13.1020 -17.3292 0.0000 N 0 0 13.8834 -17.5797 0.0000 N 0 0 14.3594 -16.9206 0.0000 C 0 0 13.8834 -16.2573 0.0000 C 0 0 15.1766 -16.9206 0.0000 C 0 0 12.3970 -18.5550 0.0000 O 0 0 11.6880 -18.9636 0.0000 C 0 0 15.5852 -17.6283 0.0000 F 0 0 15.5852 -16.2129 0.0000 F 0 0 15.9930 -16.9175 0.0000 F 0 0 10.9804 -13.6515 0.0000 C 0 0 10.2725 -14.0598 0.0000 C 0 0 9.5650 -13.6509 0.0000 C 0 0 8.8571 -14.0592 0.0000 C 0 0 2 3 1 0 1 2 1 0 3 4 1 0 4 5 1 0 5 1 2 0 3 6 2 0 2 7 1 0 2 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 16 21 1 0 16 22 2 0 18 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 1 0 30 31 2 0 31 32 1 0 29 30 1 0 24 32 2 0 31 33 1 0 34 35 1 0 28 34 1 0 19 25 1 0 33 36 1 0 33 37 1 0 33 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 9 1 0 14 1 1 0 M END > CHEMBL2337964 > 1 $$$$ CHEMBL2337963 SciTegic12291823182D 42 46 0 0 0 0 999 V2000 7.9511 -14.1822 0.0000 C 0 0 7.2465 -14.5981 0.0000 C 0 0 7.2543 -15.4117 0.0000 C 0 0 7.9651 -15.8156 0.0000 C 0 0 8.6697 -15.3997 0.0000 N 0 0 8.6635 -14.5800 0.0000 N 0 0 7.9719 -16.6328 0.0000 O 0 0 6.5349 -14.1963 0.0000 C 0 0 9.3589 -11.7312 0.0000 O 0 0 8.6510 -12.1395 0.0000 C 0 0 7.9456 -11.7285 0.0000 C 0 0 7.2382 -12.1362 0.0000 C 0 0 7.2374 -12.9542 0.0000 C 0 0 7.9499 -13.3630 0.0000 C 0 0 8.6544 -12.9530 0.0000 C 0 0 13.6063 -11.7327 0.0000 C 0 0 14.3113 -12.1413 0.0000 C 0 0 14.3113 -12.9585 0.0000 C 0 0 13.6063 -13.3671 0.0000 C 0 0 12.8972 -12.9585 0.0000 N 0 0 12.8972 -12.1413 0.0000 N 0 0 13.6063 -10.9155 0.0000 O 0 0 15.0204 -13.3671 0.0000 C 0 0 14.3113 -14.5928 0.0000 C 0 0 13.6063 -14.1843 0.0000 C 0 0 12.8972 -14.5928 0.0000 C 0 0 12.8972 -15.4100 0.0000 C 0 0 13.6063 -15.8186 0.0000 C 0 0 14.3113 -15.4100 0.0000 N 0 0 15.0926 -15.6606 0.0000 N 0 0 15.5687 -15.0014 0.0000 C 0 0 15.0926 -14.3382 0.0000 C 0 0 16.3858 -15.0014 0.0000 C 0 0 13.6063 -16.6358 0.0000 O 0 0 12.8972 -17.0444 0.0000 C 0 0 16.7944 -15.7092 0.0000 F 0 0 16.7944 -14.2937 0.0000 F 0 0 17.2023 -14.9983 0.0000 F 0 0 12.1897 -11.7324 0.0000 C 0 0 11.4818 -12.1407 0.0000 C 0 0 10.7743 -11.7318 0.0000 C 0 0 10.0664 -12.1401 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 2 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 16 21 1 0 16 22 2 0 18 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 1 0 30 31 2 0 31 32 1 0 29 30 1 0 24 32 2 0 31 33 1 0 34 35 1 0 28 34 1 0 19 25 1 0 33 36 1 0 33 37 1 0 33 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 9 1 0 14 1 1 0 M END > CHEMBL2337963 > 1 $$$$ CHEMBL2337962 SciTegic12291823182D 42 46 0 0 0 0 999 V2000 4.8669 -5.0514 0.0000 C 0 0 7.6254 -3.3199 0.0000 O 0 0 6.9175 -3.7282 0.0000 C 0 0 6.2121 -3.3173 0.0000 C 0 0 5.5048 -3.7249 0.0000 C 0 0 5.5040 -4.5429 0.0000 C 0 0 6.2165 -4.9517 0.0000 C 0 0 6.9210 -4.5417 0.0000 C 0 0 11.8729 -3.3214 0.0000 C 0 0 12.5778 -3.7300 0.0000 C 0 0 12.5778 -4.5472 0.0000 C 0 0 11.8729 -4.9558 0.0000 C 0 0 11.1638 -4.5472 0.0000 N 0 0 11.1638 -3.7300 0.0000 N 0 0 11.8729 -2.5042 0.0000 O 0 0 13.2869 -4.9558 0.0000 C 0 0 12.5778 -6.1816 0.0000 C 0 0 11.8729 -5.7730 0.0000 C 0 0 11.1638 -6.1816 0.0000 C 0 0 11.1638 -6.9987 0.0000 C 0 0 11.8729 -7.4073 0.0000 C 0 0 12.5778 -6.9987 0.0000 N 0 0 13.3592 -7.2493 0.0000 N 0 0 13.8352 -6.5902 0.0000 C 0 0 13.3592 -5.9269 0.0000 C 0 0 14.6524 -6.5902 0.0000 C 0 0 11.8729 -8.2245 0.0000 O 0 0 11.1638 -8.6331 0.0000 C 0 0 15.0610 -7.2979 0.0000 F 0 0 15.0610 -5.8824 0.0000 F 0 0 15.4689 -6.5871 0.0000 F 0 0 10.4563 -3.3211 0.0000 C 0 0 9.7484 -3.7294 0.0000 C 0 0 9.0408 -3.3205 0.0000 C 0 0 8.3330 -3.7288 0.0000 C 0 0 4.0783 -4.8366 0.0000 C 0 0 3.6286 -5.5182 0.0000 C 0 0 4.1392 -6.1557 0.0000 N 0 0 4.9027 -5.8659 0.0000 N 0 0 2.8123 -5.5559 0.0000 O 0 0 4.4822 -4.1231 0.0000 C 0 0 3.6650 -4.1231 0.0000 C 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 3 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 1 0 9 15 2 0 11 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 17 22 1 0 23 24 2 0 24 25 1 0 22 23 1 0 17 25 2 0 24 26 1 0 27 28 1 0 21 27 1 0 12 18 1 0 26 29 1 0 26 30 1 0 26 31 1 0 14 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 2 1 0 6 1 1 0 36 37 1 0 1 36 1 0 37 38 1 0 38 39 1 0 39 1 2 0 37 40 2 0 36 41 1 0 36 42 1 0 M END > CHEMBL2337962 > 1 $$$$ CHEMBL2337961 SciTegic12291823182D 41 45 0 0 0 0 999 V2000 4.7991 -4.9533 0.0000 C 0 0 4.0912 -4.5432 0.0000 C 0 0 3.3860 -4.9490 0.0000 C 0 0 3.3825 -5.7665 0.0000 C 0 0 4.0904 -6.1766 0.0000 N 0 0 4.8018 -5.7692 0.0000 N 0 0 2.6736 -6.1731 0.0000 O 0 0 7.6254 -3.3199 0.0000 O 0 0 6.9175 -3.7282 0.0000 C 0 0 6.2121 -3.3173 0.0000 C 0 0 5.5048 -3.7249 0.0000 C 0 0 5.5040 -4.5429 0.0000 C 0 0 6.2165 -4.9517 0.0000 C 0 0 6.9210 -4.5417 0.0000 C 0 0 11.8729 -3.3214 0.0000 C 0 0 12.5778 -3.7300 0.0000 C 0 0 12.5778 -4.5472 0.0000 C 0 0 11.8729 -4.9558 0.0000 C 0 0 11.1638 -4.5472 0.0000 N 0 0 11.1638 -3.7300 0.0000 N 0 0 11.8729 -2.5042 0.0000 O 0 0 13.2869 -4.9558 0.0000 C 0 0 12.5778 -6.1816 0.0000 C 0 0 11.8729 -5.7730 0.0000 C 0 0 11.1638 -6.1816 0.0000 C 0 0 11.1638 -6.9987 0.0000 C 0 0 11.8729 -7.4073 0.0000 C 0 0 12.5778 -6.9987 0.0000 N 0 0 13.3592 -7.2493 0.0000 N 0 0 13.8352 -6.5902 0.0000 C 0 0 13.3592 -5.9269 0.0000 C 0 0 14.6524 -6.5902 0.0000 C 0 0 11.8729 -8.2245 0.0000 O 0 0 11.1638 -8.6331 0.0000 C 0 0 15.0610 -7.2979 0.0000 F 0 0 15.0610 -5.8824 0.0000 F 0 0 15.4689 -6.5871 0.0000 F 0 0 10.4563 -3.3211 0.0000 C 0 0 9.7484 -3.7294 0.0000 C 0 0 9.0408 -3.3205 0.0000 C 0 0 8.3330 -3.7288 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 15 20 1 0 15 21 2 0 17 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 23 28 1 0 29 30 2 0 30 31 1 0 28 29 1 0 23 31 2 0 30 32 1 0 33 34 1 0 27 33 1 0 18 24 1 0 32 35 1 0 32 36 1 0 32 37 1 0 20 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 8 1 0 12 1 1 0 M END > CHEMBL2337961 > 0 $$$$ CHEMBL2337960 SciTegic12291823182D 41 45 0 0 0 0 999 V2000 4.4896 -4.8254 0.0000 C 0 0 3.7816 -4.4153 0.0000 C 0 0 3.0764 -4.8210 0.0000 C 0 0 3.0729 -5.6386 0.0000 C 0 0 3.7809 -6.0487 0.0000 N 0 0 4.4923 -5.6413 0.0000 N 0 0 2.3641 -6.0451 0.0000 O 0 0 7.3159 -3.1919 0.0000 O 0 0 6.6080 -3.6002 0.0000 C 0 0 5.9026 -3.1893 0.0000 C 0 0 5.1952 -3.5969 0.0000 C 0 0 5.1944 -4.4150 0.0000 C 0 0 5.9069 -4.8237 0.0000 C 0 0 6.6114 -4.4138 0.0000 C 0 0 11.5633 -3.1934 0.0000 C 0 0 12.2683 -3.6020 0.0000 C 0 0 12.2683 -4.4192 0.0000 C 0 0 11.5633 -4.8278 0.0000 C 0 0 10.8543 -4.4192 0.0000 N 0 0 10.8543 -3.6020 0.0000 N 0 0 11.5633 -2.3763 0.0000 O 0 0 12.9774 -4.8278 0.0000 C 0 0 12.2683 -6.0536 0.0000 C 0 0 11.5633 -5.6450 0.0000 C 0 0 10.8543 -6.0536 0.0000 C 0 0 10.8543 -6.8708 0.0000 C 0 0 11.5633 -7.2794 0.0000 C 0 0 12.2683 -6.8708 0.0000 N 0 0 13.0497 -7.1213 0.0000 N 0 0 13.5257 -6.4622 0.0000 C 0 0 13.0497 -5.7989 0.0000 C 0 0 14.3429 -6.4622 0.0000 C 0 0 11.5633 -8.0966 0.0000 O 0 0 10.8543 -8.5052 0.0000 C 0 0 14.7515 -7.1699 0.0000 F 0 0 14.7515 -5.7545 0.0000 F 0 0 15.1593 -6.4591 0.0000 F 0 0 10.1467 -3.1931 0.0000 C 0 0 9.4388 -3.6014 0.0000 C 0 0 8.7313 -3.1925 0.0000 C 0 0 8.0234 -3.6008 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 15 20 1 0 15 21 2 0 17 22 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 23 28 1 0 29 30 2 0 30 31 1 0 28 29 1 0 23 31 2 0 30 32 1 0 33 34 1 0 27 33 1 0 18 24 1 0 32 35 1 0 32 36 1 0 32 37 1 0 20 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 8 1 0 12 1 1 0 M END > CHEMBL2337960 > 1 $$$$ CHEMBL2337959 SciTegic12291823182D 42 46 0 0 0 0 999 V2000 7.3373 -16.8191 0.0000 C 0 0 6.6294 -16.4090 0.0000 C 0 0 5.9242 -16.8147 0.0000 C 0 0 5.9207 -17.6323 0.0000 C 0 0 6.6286 -18.0424 0.0000 N 0 0 7.3400 -17.6350 0.0000 N 0 0 5.2118 -18.0388 0.0000 O 0 0 6.6306 -15.5918 0.0000 C 0 0 10.1637 -15.1857 0.0000 O 0 0 9.4558 -15.5940 0.0000 C 0 0 8.7504 -15.1830 0.0000 C 0 0 8.0430 -15.5906 0.0000 C 0 0 8.0422 -16.4087 0.0000 C 0 0 8.7547 -16.8174 0.0000 C 0 0 9.4592 -16.4075 0.0000 C 0 0 14.4111 -15.1872 0.0000 C 0 0 15.1161 -15.5958 0.0000 C 0 0 15.1161 -16.4130 0.0000 C 0 0 14.4111 -16.8216 0.0000 C 0 0 13.7020 -16.4130 0.0000 N 0 0 13.7020 -15.5958 0.0000 N 0 0 14.4111 -14.3700 0.0000 O 0 0 15.8252 -16.8216 0.0000 C 0 0 15.1161 -18.0473 0.0000 C 0 0 14.4111 -17.6387 0.0000 C 0 0 13.7020 -18.0473 0.0000 C 0 0 13.7020 -18.8645 0.0000 C 0 0 14.4111 -19.2731 0.0000 C 0 0 15.1161 -18.8645 0.0000 N 0 0 15.8974 -19.1151 0.0000 N 0 0 16.3735 -18.4559 0.0000 C 0 0 15.8974 -17.7927 0.0000 C 0 0 17.1907 -18.4559 0.0000 C 0 0 14.4111 -20.0903 0.0000 O 0 0 13.7020 -20.4989 0.0000 C 0 0 17.5992 -19.1636 0.0000 F 0 0 17.5992 -17.7482 0.0000 F 0 0 18.0071 -18.4528 0.0000 F 0 0 12.9945 -15.1869 0.0000 C 0 0 12.2866 -15.5952 0.0000 C 0 0 11.5791 -15.1863 0.0000 C 0 0 10.8712 -15.5946 0.0000 C 0 0 1 2 1 0 1 6 2 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 2 0 2 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 16 21 1 0 16 22 2 0 18 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 1 0 30 31 2 0 31 32 1 0 29 30 1 0 24 32 2 0 31 33 1 0 34 35 1 0 28 34 1 0 19 25 1 0 33 36 1 0 33 37 1 0 33 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 9 1 0 13 1 1 0 M END > CHEMBL2337959 > 0 $$$$ CHEMBL2337953 SciTegic12291823182D 40 44 0 0 0 0 999 V2000 6.4798 -5.1448 0.0000 O 0 0 5.7720 -5.5531 0.0000 C 0 0 5.0666 -5.1421 0.0000 C 0 0 4.3592 -5.5497 0.0000 C 0 0 4.3584 -6.3678 0.0000 C 0 0 5.0709 -6.7765 0.0000 C 0 0 5.7754 -6.3666 0.0000 C 0 0 3.6453 -6.7782 0.0000 C 0 0 2.9373 -6.3681 0.0000 C 0 0 2.2321 -6.7738 0.0000 C 0 0 2.2286 -7.5914 0.0000 C 0 0 2.9366 -8.0015 0.0000 N 0 0 3.6480 -7.5941 0.0000 N 0 0 1.5197 -7.9979 0.0000 O 0 0 2.9386 -5.5509 0.0000 C 0 0 7.8957 -5.1400 0.0000 C 0 0 10.7255 -5.1374 0.0000 C 0 0 11.4305 -5.5460 0.0000 C 0 0 11.4305 -6.3632 0.0000 C 0 0 10.7255 -6.7718 0.0000 C 0 0 10.0164 -6.3632 0.0000 N 0 0 10.0164 -5.5460 0.0000 N 0 0 10.7255 -4.3202 0.0000 O 0 0 12.1396 -6.7718 0.0000 C 0 0 11.4305 -7.9975 0.0000 C 0 0 10.7255 -7.5889 0.0000 C 0 0 10.0164 -7.9975 0.0000 C 0 0 10.0164 -8.8147 0.0000 C 0 0 10.7255 -9.2233 0.0000 C 0 0 11.4305 -8.8147 0.0000 N 0 0 12.2118 -9.0653 0.0000 N 0 0 12.6878 -8.4061 0.0000 C 0 0 12.2118 -7.7429 0.0000 C 0 0 13.5050 -8.4061 0.0000 C 0 0 10.7255 -10.0405 0.0000 O 0 0 10.0164 -10.4491 0.0000 C 0 0 9.3089 -5.1371 0.0000 C 0 0 8.6010 -5.5454 0.0000 C 0 0 13.9136 -9.1138 0.0000 C 0 0 7.1888 -5.5499 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 8 9 1 0 8 13 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 8 1 0 11 14 2 0 9 15 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 17 22 1 0 17 23 2 0 19 24 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 25 30 1 0 31 32 2 0 32 33 1 0 30 31 1 0 25 33 2 0 32 34 1 0 35 36 1 0 29 35 1 0 20 26 1 0 22 37 1 0 37 38 1 0 38 16 1 0 34 39 1 0 16 40 1 0 40 1 1 0 M END > CHEMBL2337953 > 1 $$$$ CHEMBL2337954 SciTegic12291823182D 39 43 0 0 0 0 999 V2000 7.1856 -5.5448 0.0000 O 0 0 6.4777 -5.1365 0.0000 C 0 0 5.7723 -5.5474 0.0000 C 0 0 5.0649 -5.1398 0.0000 C 0 0 5.0641 -4.3217 0.0000 C 0 0 5.7766 -3.9130 0.0000 C 0 0 6.4811 -4.3230 0.0000 C 0 0 4.3510 -3.9113 0.0000 C 0 0 3.6431 -4.3215 0.0000 C 0 0 2.9379 -3.9157 0.0000 C 0 0 2.9344 -3.0982 0.0000 C 0 0 3.6423 -2.6880 0.0000 N 0 0 4.3537 -3.0954 0.0000 N 0 0 2.2255 -2.6916 0.0000 O 0 0 3.6443 -5.1386 0.0000 C 0 0 7.8957 -5.1400 0.0000 C 0 0 10.7255 -5.1374 0.0000 C 0 0 11.4305 -5.5460 0.0000 C 0 0 11.4305 -6.3632 0.0000 C 0 0 10.7255 -6.7718 0.0000 C 0 0 10.0164 -6.3632 0.0000 N 0 0 10.0164 -5.5460 0.0000 N 0 0 10.7255 -4.3202 0.0000 O 0 0 12.1396 -6.7718 0.0000 C 0 0 11.4305 -7.9975 0.0000 C 0 0 10.7255 -7.5889 0.0000 C 0 0 10.0164 -7.9975 0.0000 C 0 0 10.0164 -8.8147 0.0000 C 0 0 10.7255 -9.2233 0.0000 C 0 0 11.4305 -8.8147 0.0000 N 0 0 12.2118 -9.0653 0.0000 N 0 0 12.6878 -8.4061 0.0000 C 0 0 12.2118 -7.7429 0.0000 C 0 0 13.5050 -8.4061 0.0000 C 0 0 10.7255 -10.0405 0.0000 O 0 0 10.0164 -10.4491 0.0000 C 0 0 9.3089 -5.1371 0.0000 C 0 0 8.6010 -5.5454 0.0000 C 0 0 13.9136 -9.1138 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 8 9 1 0 8 13 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 8 1 0 11 14 2 0 9 15 1 0 16 1 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 17 22 1 0 17 23 2 0 19 24 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 25 30 1 0 31 32 2 0 32 33 1 0 30 31 1 0 25 33 2 0 32 34 1 0 35 36 1 0 29 35 1 0 20 26 1 0 22 37 1 0 37 38 1 0 38 16 1 0 34 39 1 0 M END > CHEMBL2337954 > 1 $$$$ CHEMBL2337976 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 6.1105 -5.8502 0.0000 O 0 0 5.4026 -5.4419 0.0000 C 0 0 4.6972 -5.8529 0.0000 C 0 0 3.9898 -5.4452 0.0000 C 0 0 3.9890 -4.6272 0.0000 C 0 0 4.7016 -4.2184 0.0000 C 0 0 5.4060 -4.6284 0.0000 C 0 0 3.2759 -4.2168 0.0000 C 0 0 2.5680 -4.6269 0.0000 C 0 0 1.8628 -4.2211 0.0000 C 0 0 1.8593 -3.4036 0.0000 C 0 0 2.5672 -2.9935 0.0000 N 0 0 3.2786 -3.4009 0.0000 N 0 0 1.1504 -2.9970 0.0000 O 0 0 2.5692 -5.4441 0.0000 C 0 0 11.0681 -5.4469 0.0000 C 0 0 11.7730 -5.8555 0.0000 C 0 0 11.7730 -6.6727 0.0000 C 0 0 11.0681 -7.0813 0.0000 C 0 0 10.3590 -6.6727 0.0000 N 0 0 10.3590 -5.8555 0.0000 N 0 0 11.0681 -4.6297 0.0000 O 0 0 12.4821 -7.0813 0.0000 C 0 0 11.7730 -8.3071 0.0000 C 0 0 11.0681 -7.8985 0.0000 C 0 0 10.3590 -8.3071 0.0000 C 0 0 10.3590 -9.1243 0.0000 C 0 0 11.0681 -9.5329 0.0000 C 0 0 11.7730 -9.1243 0.0000 N 0 0 12.5544 -9.3748 0.0000 N 0 0 13.0304 -8.7157 0.0000 C 0 0 12.5544 -8.0524 0.0000 C 0 0 13.8476 -8.7157 0.0000 C 0 0 11.0681 -10.3501 0.0000 O 0 0 10.3590 -10.7587 0.0000 C 0 0 14.2562 -9.4234 0.0000 F 0 0 14.2562 -8.0080 0.0000 F 0 0 14.6640 -8.7126 0.0000 F 0 0 9.6514 -5.4466 0.0000 C 0 0 8.9436 -5.8549 0.0000 C 0 0 8.2360 -5.4460 0.0000 C 0 0 7.5282 -5.8543 0.0000 C 0 0 6.8206 -5.4454 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 8 9 1 0 8 13 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 8 1 0 11 14 2 0 9 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 16 21 1 0 16 22 2 0 18 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 1 0 30 31 2 0 31 32 1 0 29 30 1 0 24 32 2 0 31 33 1 0 34 35 1 0 28 34 1 0 19 25 1 0 33 36 1 0 33 37 1 0 33 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 1 1 0 M END > CHEMBL2337976 > 1 $$$$ CHEMBL2337958 SciTegic12291823182D 42 46 0 0 0 0 999 V2000 7.3813 -5.4314 0.0000 O 0 0 6.6667 -5.8435 0.0000 C 0 0 5.9546 -5.4286 0.0000 C 0 0 5.2404 -5.8402 0.0000 C 0 0 5.2396 -6.6660 0.0000 C 0 0 5.9589 -7.0787 0.0000 C 0 0 6.6702 -6.6648 0.0000 C 0 0 4.5197 -7.0803 0.0000 C 0 0 3.8050 -6.6663 0.0000 C 0 0 3.0930 -7.0759 0.0000 C 0 0 3.0895 -7.9013 0.0000 C 0 0 3.8042 -8.3153 0.0000 N 0 0 4.5225 -7.9040 0.0000 N 0 0 2.3738 -8.3117 0.0000 O 0 0 3.8062 -5.8413 0.0000 C 0 0 11.6695 -5.4364 0.0000 C 0 0 12.3813 -5.8489 0.0000 C 0 0 12.3813 -6.6739 0.0000 C 0 0 11.6695 -7.0864 0.0000 C 0 0 10.9537 -6.6739 0.0000 N 0 0 10.9537 -5.8489 0.0000 N 0 0 11.6695 -4.6114 0.0000 O 0 0 13.0971 -7.0864 0.0000 C 0 0 12.3813 -8.3239 0.0000 C 0 0 11.6695 -7.9114 0.0000 C 0 0 10.9537 -8.3239 0.0000 C 0 0 10.9537 -9.1489 0.0000 C 0 0 11.6695 -9.5614 0.0000 C 0 0 12.3813 -9.1489 0.0000 N 0 0 13.1700 -9.4018 0.0000 N 0 0 13.6506 -8.7364 0.0000 C 0 0 13.1700 -8.0668 0.0000 C 0 0 14.4756 -8.7364 0.0000 C 0 0 11.6695 -10.3863 0.0000 O 0 0 10.9537 -10.7988 0.0000 C 0 0 14.8881 -9.4509 0.0000 F 0 0 14.8881 -8.0219 0.0000 F 0 0 15.2999 -8.7333 0.0000 F 0 0 10.2394 -5.4361 0.0000 C 0 0 9.5248 -5.8483 0.0000 C 0 0 8.8105 -5.4355 0.0000 C 0 0 8.0958 -5.8477 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 8 9 1 0 8 13 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 8 1 0 11 14 2 0 9 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 16 21 1 0 16 22 2 0 18 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 1 0 30 31 2 0 31 32 1 0 29 30 1 0 24 32 2 0 31 33 1 0 34 35 1 0 28 34 1 0 19 25 1 0 33 36 1 0 33 37 1 0 33 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 1 1 0 M END > CHEMBL2337958 > 1 $$$$ CHEMBL2337957 SciTegic12291823182D 41 45 0 0 0 0 999 V2000 6.9980 -3.9394 0.0000 O 0 0 6.2833 -3.5272 0.0000 C 0 0 5.5712 -3.9421 0.0000 C 0 0 4.8571 -3.5306 0.0000 C 0 0 4.8563 -2.7047 0.0000 C 0 0 5.5756 -2.2921 0.0000 C 0 0 6.2868 -2.7060 0.0000 C 0 0 4.1363 -2.2904 0.0000 C 0 0 3.4217 -2.7044 0.0000 C 0 0 2.7097 -2.2948 0.0000 C 0 0 2.7062 -1.4695 0.0000 C 0 0 3.4208 -1.0554 0.0000 N 0 0 4.1390 -1.4667 0.0000 N 0 0 1.9905 -1.0590 0.0000 O 0 0 3.4229 -3.5294 0.0000 C 0 0 10.5738 -3.5323 0.0000 C 0 0 11.2854 -3.9448 0.0000 C 0 0 11.2854 -4.7697 0.0000 C 0 0 10.5738 -5.1822 0.0000 C 0 0 9.8579 -4.7697 0.0000 N 0 0 9.8579 -3.9448 0.0000 N 0 0 10.5738 -2.7073 0.0000 O 0 0 12.0013 -5.1822 0.0000 C 0 0 11.2854 -6.4197 0.0000 C 0 0 10.5738 -6.0072 0.0000 C 0 0 9.8579 -6.4197 0.0000 C 0 0 9.8579 -7.2447 0.0000 C 0 0 10.5738 -7.6572 0.0000 C 0 0 11.2854 -7.2447 0.0000 N 0 0 12.0743 -7.4977 0.0000 N 0 0 12.5548 -6.8322 0.0000 C 0 0 12.0743 -6.1627 0.0000 C 0 0 13.3798 -6.8322 0.0000 C 0 0 10.5738 -8.4822 0.0000 O 0 0 9.8579 -8.8947 0.0000 C 0 0 13.7923 -7.5467 0.0000 F 0 0 13.7923 -6.1177 0.0000 F 0 0 14.2040 -6.8291 0.0000 F 0 0 9.1435 -3.5320 0.0000 C 0 0 8.4289 -3.9442 0.0000 C 0 0 7.7146 -3.5314 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 2 1 0 8 9 1 0 8 13 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 8 1 0 11 14 2 0 9 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 16 21 1 0 16 22 2 0 18 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 1 0 30 31 2 0 31 32 1 0 29 30 1 0 24 32 2 0 31 33 1 0 34 35 1 0 28 34 1 0 19 25 1 0 33 36 1 0 33 37 1 0 33 38 1 0 21 39 1 0 39 40 1 0 40 41 1 0 41 1 1 0 M END > CHEMBL2337957 > 1 $$$$ CHEMBL2337956 SciTegic12291823182D 40 44 0 0 0 0 999 V2000 10.9154 -3.4697 0.0000 C 0 0 11.6270 -3.8822 0.0000 C 0 0 11.6270 -4.7072 0.0000 C 0 0 10.9154 -5.1197 0.0000 C 0 0 10.1995 -4.7072 0.0000 N 0 0 10.1995 -3.8822 0.0000 N 0 0 10.9154 -2.6448 0.0000 O 0 0 12.3429 -5.1197 0.0000 C 0 0 11.6270 -6.3572 0.0000 C 0 0 10.9154 -5.9447 0.0000 C 0 0 10.1995 -6.3572 0.0000 C 0 0 10.1995 -7.1822 0.0000 C 0 0 10.9154 -7.5947 0.0000 C 0 0 11.6270 -7.1822 0.0000 N 0 0 12.4159 -7.4352 0.0000 N 0 0 12.8964 -6.7697 0.0000 C 0 0 12.4159 -6.1001 0.0000 C 0 0 13.7214 -6.7697 0.0000 C 0 0 10.9154 -8.4197 0.0000 O 0 0 10.1995 -8.8322 0.0000 C 0 0 14.1339 -7.4842 0.0000 F 0 0 14.1339 -6.0552 0.0000 F 0 0 14.5457 -6.7666 0.0000 F 0 0 9.4853 -3.4694 0.0000 C 0 0 8.7706 -3.8816 0.0000 C 0 0 8.0563 -3.4689 0.0000 O 0 0 7.3417 -3.8810 0.0000 C 0 0 6.6296 -3.4662 0.0000 C 0 0 5.9154 -3.8777 0.0000 C 0 0 5.9146 -4.7036 0.0000 C 0 0 6.6339 -5.1162 0.0000 C 0 0 7.3451 -4.7024 0.0000 C 0 0 5.1947 -5.1179 0.0000 C 0 0 4.4800 -4.7039 0.0000 C 0 0 3.7680 -5.1134 0.0000 C 0 0 3.7645 -5.9388 0.0000 C 0 0 4.4792 -6.3529 0.0000 N 0 0 5.1974 -5.9416 0.0000 N 0 0 3.0489 -6.3492 0.0000 O 0 0 4.4813 -3.8789 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 1 0 1 7 2 0 3 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 1 0 15 16 2 0 16 17 1 0 14 15 1 0 9 17 2 0 16 18 1 0 19 20 1 0 13 19 1 0 4 10 1 0 18 21 1 0 18 22 1 0 18 23 1 0 6 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 27 1 0 33 34 1 0 33 38 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 30 33 1 0 36 39 2 0 34 40 1 0 M END > CHEMBL2337956 > 1 $$$$ CHEMBL2381188 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 2.8096 -11.2771 0.0000 N 0 0 2.8161 -12.1044 0.0000 C 0 0 3.5348 -12.5106 0.0000 N 0 0 3.5176 -10.8577 0.0000 C 0 0 4.2367 -11.2601 0.0000 C 0 0 4.2492 -12.0866 0.0000 N 0 0 5.0390 -12.3300 0.0000 C 0 0 5.5148 -11.6541 0.0000 N 0 0 5.0189 -10.9930 0.0000 C 0 0 5.2619 -10.2045 0.0000 C 0 0 3.5074 -10.0327 0.0000 N 0 0 5.3059 -13.1107 0.0000 C 0 0 6.0415 -9.9426 0.0000 C 0 0 6.0289 -9.1176 0.0000 N 0 0 5.2405 -8.8746 0.0000 N 0 0 4.7659 -9.5494 0.0000 C 0 0 6.7147 -10.4156 0.0000 C 0 0 6.6373 -11.2382 0.0000 C 0 0 7.3100 -11.7145 0.0000 C 0 0 8.0604 -11.3696 0.0000 C 0 0 8.1340 -10.5435 0.0000 C 0 0 7.4604 -10.0708 0.0000 C 0 0 6.6890 -8.6226 0.0000 C 0 0 8.7345 -11.8452 0.0000 C 0 0 8.6597 -12.6668 0.0000 F 0 0 9.4835 -11.4991 0.0000 F 0 0 9.4497 -12.2488 0.0000 F 0 0 4.0751 -9.4376 0.0000 C 0 0 2.9138 -9.4420 0.0000 C 0 0 3.4757 -8.8580 0.0000 C 0 0 3.4608 -8.0332 0.0000 F 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 9 10 1 0 4 11 1 0 7 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 10 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 13 17 1 0 14 23 1 0 20 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 11 28 1 0 11 29 1 0 28 30 1 0 29 30 1 0 30 31 1 0 M END > CHEMBL2381188 > 0 $$$$ CHEMBL2402509 SciTegic12291823182D 21 22 0 0 0 0 999 V2000 19.4764 -16.6121 0.0000 C 0 0 19.8891 -17.3220 0.0000 C 0 0 20.2975 -16.6096 0.0000 C 0 0 17.0605 -16.5089 0.0000 N 0 0 17.0594 -17.3284 0.0000 C 0 0 17.7674 -17.7374 0.0000 N 0 0 18.4771 -17.3279 0.0000 C 0 0 18.4743 -16.5053 0.0000 N 0 0 17.7657 -16.1000 0.0000 C 0 0 16.3514 -17.7364 0.0000 N 0 0 19.1855 -17.7354 0.0000 N 0 0 20.6009 -17.7332 0.0000 C 0 0 21.3089 -18.1372 0.0000 N 0 0 15.6440 -17.3273 0.0000 C 0 0 17.7637 -15.2829 0.0000 N 0 0 18.4234 -14.8006 0.0000 N 0 0 18.1685 -14.0241 0.0000 C 0 0 17.3513 -14.0266 0.0000 N 0 0 17.1012 -14.8045 0.0000 C 0 0 19.8828 -15.9032 0.0000 C 0 0 21.1147 -16.6071 0.0000 C 0 0 2 1 1 0 3 2 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 7 11 1 0 11 2 1 0 2 12 1 0 12 13 3 0 10 14 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 15 1 0 9 15 1 0 1 20 1 0 3 21 1 0 M END > CHEMBL2402509 > 1 $$$$ CHEMBL2419555 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 12.1021 -32.3922 0.0000 C 0 0 12.9299 -32.3890 0.0000 C 0 0 13.3392 -31.6716 0.0000 C 0 0 12.9217 -30.9569 0.0000 C 0 0 12.0908 -30.9642 0.0000 C 0 0 11.6853 -31.6822 0.0000 C 0 0 10.8599 -31.6892 0.0000 O 0 0 10.4412 -30.9777 0.0000 C 0 0 9.6157 -30.9846 0.0000 C 0 0 9.2013 -30.2706 0.0000 N 0 0 8.3922 -31.7097 0.0000 C 0 0 9.2154 -31.6997 0.0000 C 0 0 7.9691 -30.9959 0.0000 C 0 0 8.3743 -30.2805 0.0000 C 0 0 7.9573 -29.5738 0.0000 C 0 0 7.1353 -29.5815 0.0000 C 0 0 6.7320 -30.3018 0.0000 C 0 0 7.1513 -31.0054 0.0000 C 0 0 14.1647 -31.6673 0.0000 C 0 0 14.5810 -32.3801 0.0000 O 0 0 14.5737 -30.9504 0.0000 N 0 0 15.3991 -30.9461 0.0000 C 0 0 14.1573 -30.2376 0.0000 C 0 0 14.5688 -29.5211 0.0000 C 0 0 12.9179 -29.5345 0.0000 C 0 0 13.3360 -30.2438 0.0000 C 0 0 13.3268 -28.8126 0.0000 C 0 0 14.1490 -28.8074 0.0000 C 0 0 14.3983 -28.0238 0.0000 S 0 0 13.7300 -27.5446 0.0000 C 0 0 13.0679 -28.0322 0.0000 N 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 14 1 0 13 11 1 0 11 12 2 0 12 9 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 13 2 0 3 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 28 2 0 27 25 2 0 25 26 1 0 26 23 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 27 1 0 M END > CHEMBL2419555 > 0 $$$$ CHEMBL2419369 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 15.0070 -29.2460 0.0000 C 0 0 15.0058 -30.0733 0.0000 C 0 0 15.7207 -30.4862 0.0000 C 0 0 15.7189 -28.8332 0.0000 C 0 0 16.4343 -29.2424 0.0000 C 0 0 16.4350 -30.0692 0.0000 C 0 0 17.1503 -30.4802 0.0000 C 0 0 17.8653 -30.0654 0.0000 C 0 0 17.8606 -29.2354 0.0000 C 0 0 17.1447 -28.8281 0.0000 N 0 0 18.5725 -28.8185 0.0000 C 0 0 19.2895 -29.2267 0.0000 O 0 0 20.0014 -28.8099 0.0000 C 0 0 20.7161 -29.2215 0.0000 C 0 0 21.4276 -28.8053 0.0000 C 0 0 21.4230 -27.9794 0.0000 C 0 0 20.7011 -27.5714 0.0000 C 0 0 19.9926 -27.9900 0.0000 C 0 0 22.1344 -27.5616 0.0000 N 0 0 22.8519 -27.9688 0.0000 C 0 0 23.5634 -27.5510 0.0000 O 0 0 22.8581 -28.7938 0.0000 C 0 0 22.1283 -26.7366 0.0000 C 0 0 22.1988 -29.2829 0.0000 C 0 0 22.4600 -30.0655 0.0000 C 0 0 23.2846 -30.0595 0.0000 N 0 0 23.5337 -29.2730 0.0000 N 0 0 22.0650 -30.7897 0.0000 C 0 0 21.2422 -30.8066 0.0000 N 0 0 20.8471 -31.5300 0.0000 C 0 0 21.2769 -32.2352 0.0000 C 0 0 22.1060 -32.2125 0.0000 C 0 0 22.4972 -31.4885 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 22 1 0 25 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 28 1 0 M END > CHEMBL2419369 > 0 $$$$ CHEMBL2419561 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 14.6641 -8.3646 0.0000 C 0 0 13.9479 -9.6055 0.0000 C 0 0 13.9501 -8.7780 0.0000 C 0 0 14.4882 -10.8258 0.0000 N 0 0 13.6676 -10.9063 0.0000 C 0 0 13.3334 -10.1657 0.0000 S 0 0 14.6666 -10.0195 0.0000 C 0 0 15.3789 -8.7762 0.0000 C 0 0 15.3765 -9.6061 0.0000 C 0 0 9.6393 -11.2642 0.0000 C 0 0 15.3714 -7.1313 0.0000 O 0 0 8.9294 -10.0282 0.0000 C 0 0 12.5036 -8.7914 0.0000 C 0 0 13.9425 -7.1295 0.0000 N 0 0 10.3557 -10.0252 0.0000 C 0 0 11.7944 -7.5491 0.0000 C 0 0 8.2163 -9.6154 0.0000 C 0 0 8.9261 -10.8497 0.0000 C 0 0 12.5050 -7.1394 0.0000 C 0 0 13.2212 -8.3799 0.0000 C 0 0 14.6621 -7.5402 0.0000 C 0 0 9.6420 -9.6145 0.0000 N 0 0 7.5011 -10.8497 0.0000 C 0 0 10.3565 -10.8500 0.0000 C 0 0 13.2209 -7.5509 0.0000 C 0 0 13.9365 -6.3056 0.0000 C 0 0 11.0812 -8.7925 0.0000 O 0 0 11.0781 -9.6131 0.0000 C 0 0 7.4982 -10.0276 0.0000 C 0 0 8.2181 -11.2619 0.0000 C 0 0 11.7909 -8.3804 0.0000 C 0 0 6 5 1 0 1 3 1 0 9 8 1 0 7 9 2 0 8 1 2 0 4 7 1 0 3 2 2 0 2 6 1 0 5 4 2 0 7 2 1 0 19 16 2 0 18 10 1 0 12 17 2 0 13 20 1 0 22 12 1 0 23 30 1 0 12 18 1 0 10 24 2 0 25 19 1 0 30 18 2 0 29 23 2 0 28 27 1 0 21 11 2 0 31 13 2 0 14 26 1 0 17 29 1 0 15 22 2 0 20 25 2 0 24 15 1 0 25 14 1 0 14 21 1 0 16 31 1 0 27 31 1 0 15 28 1 0 21 1 1 0 M END > CHEMBL2419561 > 0 $$$$ CHEMBL2419564 SciTegic12291823182D 28 31 0 0 0 0 999 V2000 2.1862 -19.1344 0.0000 C 0 0 2.1850 -19.9618 0.0000 C 0 0 2.8999 -20.3747 0.0000 C 0 0 2.8981 -18.7216 0.0000 C 0 0 3.6135 -19.1308 0.0000 C 0 0 3.6143 -19.9576 0.0000 C 0 0 4.3296 -20.3687 0.0000 C 0 0 5.0447 -19.9539 0.0000 C 0 0 5.0399 -19.1238 0.0000 C 0 0 4.3240 -18.7166 0.0000 N 0 0 5.7519 -18.7069 0.0000 C 0 0 6.4689 -19.1151 0.0000 O 0 0 7.1809 -18.6983 0.0000 C 0 0 7.8957 -19.1099 0.0000 C 0 0 8.6072 -18.6937 0.0000 C 0 0 8.6026 -17.8677 0.0000 C 0 0 7.8805 -17.4598 0.0000 C 0 0 7.1720 -17.8783 0.0000 C 0 0 9.3140 -17.4500 0.0000 N 0 0 10.0315 -17.8571 0.0000 C 0 0 10.7430 -17.4394 0.0000 O 0 0 10.0377 -18.6822 0.0000 C 0 0 9.3258 -19.0976 0.0000 C 0 0 9.3316 -19.9218 0.0000 C 0 0 10.0497 -20.3298 0.0000 N 0 0 10.7634 -19.9076 0.0000 C 0 0 10.7541 -19.0847 0.0000 C 0 0 9.3079 -16.6249 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 22 1 0 19 28 1 0 M END > CHEMBL2419564 > 0 $$$$ CHEMBL2425740 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 16.9533 -22.2513 0.0000 Cl 0 0 16.9042 -25.5587 0.0000 N 0 0 14.8419 -20.9826 0.0000 C 0 0 16.9357 -23.1464 0.0000 O 0 0 16.1974 -25.9692 0.0000 C 0 0 15.4865 -25.5587 0.0000 C 0 0 17.6851 -25.8125 0.0000 N 0 0 14.1093 -22.1974 0.0000 Cl 0 0 16.1974 -24.3273 0.0000 C 0 0 15.5318 -22.2269 0.0000 C 0 0 15.5175 -23.0475 0.0000 N 0 0 15.4865 -24.7378 0.0000 C 0 0 14.8277 -21.8034 0.0000 C 0 0 15.5644 -20.5845 0.0000 N 0 0 16.9042 -24.7378 0.0000 C 0 0 16.2502 -21.8328 0.0000 C 0 0 18.1676 -25.1482 0.0000 C 0 0 17.6851 -24.4800 0.0000 C 0 0 16.1985 -23.5105 0.0000 C 0 0 16.2685 -21.0111 0.0000 C 0 0 16.1984 -26.7864 0.0000 O 0 0 15.4913 -27.1959 0.0000 C 0 0 18.9874 -25.1484 0.0000 C 0 0 19.3950 -25.8567 0.0000 O 0 0 19.3970 -24.4413 0.0000 O 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 23 24 1 0 23 25 2 0 17 23 1 0 M END > CHEMBL2425740 > 0 $$$$ CHEMBL2425739 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 15.2900 -21.7519 0.0000 Cl 0 0 15.2410 -25.0593 0.0000 N 0 0 13.1786 -20.4832 0.0000 C 0 0 15.2724 -22.6470 0.0000 O 0 0 14.5341 -25.4698 0.0000 C 0 0 13.8232 -25.0593 0.0000 C 0 0 16.0218 -25.3131 0.0000 N 0 0 12.4460 -21.6980 0.0000 Cl 0 0 14.5341 -23.8279 0.0000 C 0 0 13.8685 -21.7275 0.0000 C 0 0 13.8542 -22.5482 0.0000 N 0 0 13.8232 -24.2384 0.0000 C 0 0 13.1644 -21.3040 0.0000 C 0 0 13.9012 -20.0851 0.0000 N 0 3 15.2410 -24.2384 0.0000 C 0 0 14.5869 -21.3334 0.0000 C 0 0 16.5043 -24.6489 0.0000 C 0 0 16.0218 -23.9806 0.0000 C 0 0 14.5352 -23.0111 0.0000 C 0 0 14.6053 -20.5118 0.0000 C 0 0 13.9180 -19.2681 0.0000 O 0 5 14.5352 -26.2870 0.0000 O 0 0 13.8280 -26.6965 0.0000 C 0 0 17.3175 -24.6476 0.0000 C 0 0 18.1347 -24.6488 0.0000 N 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 14 21 1 0 5 22 1 0 22 23 1 0 24 25 3 0 17 24 1 0 M CHG 2 14 1 21 -1 M END > CHEMBL2425739 > 0 $$$$ CHEMBL2425759 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 5.2773 -21.2360 0.0000 Cl 0 0 5.2283 -24.5434 0.0000 N 0 0 3.1660 -19.9673 0.0000 C 0 0 5.2598 -22.1311 0.0000 O 0 0 4.5215 -24.9539 0.0000 C 0 0 3.8105 -24.5434 0.0000 C 0 0 6.0092 -24.7972 0.0000 N 0 0 2.4333 -21.1821 0.0000 Cl 0 0 4.5215 -23.3120 0.0000 C 0 0 3.8558 -21.2116 0.0000 C 0 0 3.8416 -22.0322 0.0000 N 0 0 3.8105 -23.7225 0.0000 C 0 0 3.1517 -20.7881 0.0000 C 0 0 3.8885 -19.5692 0.0000 N 0 0 5.2283 -23.7225 0.0000 C 0 0 4.5742 -20.8175 0.0000 C 0 0 6.4917 -24.1329 0.0000 C 0 0 6.0092 -23.4647 0.0000 C 0 0 4.5226 -22.4952 0.0000 C 0 0 4.5926 -19.9959 0.0000 C 0 0 4.5225 -25.7711 0.0000 O 0 0 3.8153 -26.1806 0.0000 C 0 0 7.3089 -24.1341 0.0000 C 0 0 7.7185 -23.4270 0.0000 O 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 17 23 1 0 23 24 2 0 M END > CHEMBL2425759 > 0 $$$$ CHEMBL2425757 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 12.7559 -18.9124 0.0000 Cl 0 0 12.7069 -22.2198 0.0000 N 0 0 10.6445 -17.6437 0.0000 C 0 0 12.7383 -19.8075 0.0000 O 0 0 12.0000 -22.6303 0.0000 C 0 0 11.2891 -22.2198 0.0000 C 0 0 13.4877 -22.4736 0.0000 N 0 0 9.9119 -18.8584 0.0000 Cl 0 0 12.0000 -20.9884 0.0000 C 0 0 11.3344 -18.8880 0.0000 C 0 0 11.3201 -19.7086 0.0000 N 0 0 11.2891 -21.3988 0.0000 C 0 0 10.6303 -18.4644 0.0000 C 0 0 11.3670 -17.2456 0.0000 N 0 3 12.7069 -21.3988 0.0000 C 0 0 12.0528 -18.4939 0.0000 C 0 0 13.9702 -21.8093 0.0000 C 0 0 13.4877 -21.1411 0.0000 C 0 0 12.0011 -20.1715 0.0000 C 0 0 12.0712 -17.6722 0.0000 C 0 0 11.3838 -16.4285 0.0000 O 0 5 12.0011 -23.4475 0.0000 O 0 0 11.2939 -23.8569 0.0000 C 0 0 14.7874 -21.8105 0.0000 C 0 0 15.1950 -22.5188 0.0000 O 0 0 16.0122 -22.5200 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 14 21 1 0 5 22 1 0 22 23 1 0 17 24 1 0 24 25 1 0 25 26 1 0 M CHG 2 14 1 21 -1 M END > CHEMBL2425757 > 0 $$$$ CHEMBL2425756 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 9.4059 -18.9071 0.0000 Cl 0 0 9.3565 -22.2310 0.0000 N 0 0 7.2839 -17.6321 0.0000 C 0 0 9.3882 -19.8067 0.0000 O 0 0 8.6462 -22.6435 0.0000 C 0 0 7.9317 -22.2310 0.0000 C 0 0 10.1413 -22.4860 0.0000 N 0 0 6.5477 -18.8529 0.0000 Cl 0 0 8.6462 -20.9934 0.0000 C 0 0 7.9773 -18.8826 0.0000 C 0 0 7.9629 -19.7074 0.0000 N 0 0 7.9317 -21.4060 0.0000 C 0 0 7.2697 -18.4570 0.0000 C 0 0 8.0100 -17.2320 0.0000 N 0 0 9.3565 -21.4060 0.0000 C 0 0 8.6993 -18.4865 0.0000 C 0 0 10.6262 -21.8185 0.0000 C 0 0 10.1413 -21.1469 0.0000 C 0 0 8.6473 -20.1726 0.0000 C 0 0 8.7176 -17.6608 0.0000 C 0 0 8.6472 -23.4648 0.0000 O 0 0 7.9366 -23.8763 0.0000 C 0 0 11.4475 -21.8196 0.0000 C 0 0 11.8571 -22.5315 0.0000 O 0 0 12.6784 -22.5327 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 24 25 1 0 M END > CHEMBL2425756 > 0 $$$$ CHEMBL2425755 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 3.5988 -19.8524 0.0000 Cl 0 0 3.5495 -23.1762 0.0000 N 0 0 1.4770 -18.5774 0.0000 C 0 0 3.5812 -20.7519 0.0000 O 0 0 2.8392 -23.5887 0.0000 C 0 0 2.1247 -23.1762 0.0000 C 0 0 4.3343 -23.4312 0.0000 N 0 0 0.7408 -19.7982 0.0000 Cl 0 0 2.8392 -21.9387 0.0000 C 0 0 2.1703 -19.8278 0.0000 C 0 0 2.1560 -20.6526 0.0000 N 0 0 2.1247 -22.3512 0.0000 C 0 0 1.4626 -19.4022 0.0000 C 0 0 2.2031 -18.1773 0.0000 N 0 0 3.5495 -22.3512 0.0000 C 0 0 2.8922 -19.4318 0.0000 C 0 0 4.8192 -22.7638 0.0000 C 0 0 4.3343 -22.0921 0.0000 C 0 0 2.8403 -21.1178 0.0000 C 0 0 2.9107 -18.6061 0.0000 C 0 0 2.8402 -24.4100 0.0000 O 0 0 2.1295 -24.8215 0.0000 C 0 0 5.6405 -22.7649 0.0000 C 0 0 6.0501 -23.4767 0.0000 C 0 0 6.0521 -22.0542 0.0000 O 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 23 25 1 0 M END > CHEMBL2425755 > 0 $$$$ CHEMBL2425754 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 13.7712 -5.0779 0.0000 Cl 0 0 13.7222 -8.3853 0.0000 N 0 0 11.6598 -3.8092 0.0000 C 0 0 13.7536 -5.9730 0.0000 O 0 0 13.0153 -8.7958 0.0000 C 0 0 12.3044 -8.3853 0.0000 C 0 0 14.5030 -8.6391 0.0000 N 0 0 10.9272 -5.0240 0.0000 Cl 0 0 13.0153 -7.1539 0.0000 C 0 0 12.3497 -5.0535 0.0000 C 0 0 12.3354 -5.8741 0.0000 N 0 0 12.3044 -7.5644 0.0000 C 0 0 11.6456 -4.6300 0.0000 C 0 0 12.3823 -3.4111 0.0000 N 0 3 13.7222 -7.5644 0.0000 C 0 0 13.0681 -4.6594 0.0000 C 0 0 14.9855 -7.9748 0.0000 C 0 0 14.5030 -7.3066 0.0000 C 0 0 13.0164 -6.3371 0.0000 C 0 0 13.0864 -3.8378 0.0000 C 0 0 12.3991 -2.5941 0.0000 O 0 5 13.0164 -9.6130 0.0000 O 0 0 12.3092 -10.0225 0.0000 C 0 0 15.8004 -7.9719 0.0000 C 0 0 16.5076 -8.3815 0.0000 C 0 0 16.5087 -7.5643 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 14 21 1 0 5 22 1 0 22 23 1 0 25 24 1 0 26 25 1 0 24 26 1 0 17 24 1 0 M CHG 2 14 1 21 -1 M END > CHEMBL2425754 > 0 $$$$ CHEMBL2425752 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 9.6976 -8.0248 0.0000 Cl 0 0 9.6486 -11.3322 0.0000 N 0 0 7.5863 -6.7561 0.0000 C 0 0 9.6800 -8.9198 0.0000 O 0 0 8.9417 -11.7426 0.0000 C 0 0 8.2308 -11.3322 0.0000 C 0 0 10.4294 -11.5859 0.0000 N 0 0 6.8536 -7.9708 0.0000 Cl 0 0 8.9417 -10.1007 0.0000 C 0 0 8.2761 -8.0003 0.0000 C 0 0 8.2618 -8.8210 0.0000 N 0 0 8.2308 -10.5112 0.0000 C 0 0 7.5720 -7.5768 0.0000 C 0 0 8.3088 -6.3579 0.0000 N 0 3 9.6486 -10.5112 0.0000 C 0 0 8.9945 -7.6062 0.0000 C 0 0 10.9119 -10.9217 0.0000 C 0 0 10.4294 -10.2534 0.0000 C 0 0 8.9429 -9.2839 0.0000 C 0 0 9.0129 -6.7846 0.0000 C 0 0 8.3256 -5.5409 0.0000 O 0 5 8.9428 -12.5598 0.0000 O 0 0 8.2356 -12.9693 0.0000 C 0 0 11.7291 -10.9229 0.0000 C 0 0 12.1367 -11.6312 0.0000 C 0 0 12.1387 -10.2157 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 14 21 1 0 5 22 1 0 22 23 1 0 17 24 1 0 24 25 1 0 24 26 1 0 M CHG 2 14 1 21 -1 M END > CHEMBL2425752 > 0 $$$$ CHEMBL2425751 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 5.1783 -4.8715 0.0000 Cl 0 0 5.1293 -8.1790 0.0000 N 0 0 3.0669 -3.6029 0.0000 C 0 0 5.1607 -5.7666 0.0000 O 0 0 4.4224 -8.5894 0.0000 C 0 0 3.7115 -8.1790 0.0000 C 0 0 5.9101 -8.4327 0.0000 N 0 0 2.3343 -4.8176 0.0000 Cl 0 0 4.4224 -6.9475 0.0000 C 0 0 3.7568 -4.8471 0.0000 C 0 0 3.7425 -5.6678 0.0000 N 0 0 3.7115 -7.3580 0.0000 C 0 0 3.0527 -4.4236 0.0000 C 0 0 3.7894 -3.2047 0.0000 N 0 0 5.1293 -7.3580 0.0000 C 0 0 4.4752 -4.4530 0.0000 C 0 0 6.3926 -7.7685 0.0000 C 0 0 5.9101 -7.1002 0.0000 C 0 0 4.4235 -6.1307 0.0000 C 0 0 4.4936 -3.6314 0.0000 C 0 0 4.4235 -9.4066 0.0000 O 0 0 3.7163 -9.8161 0.0000 C 0 0 7.2098 -7.7697 0.0000 C 0 0 7.6174 -8.4780 0.0000 C 0 0 7.6194 -7.0625 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 23 25 1 0 M END > CHEMBL2425751 > 0 $$$$ CHEMBL2425750 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 14.4645 -3.4064 0.0000 Cl 0 0 14.4155 -6.7138 0.0000 N 0 0 12.3532 -2.1377 0.0000 C 0 0 14.4470 -4.3015 0.0000 O 0 0 13.7087 -7.1243 0.0000 C 0 0 12.9978 -6.7138 0.0000 C 0 0 15.1964 -6.9676 0.0000 N 0 0 11.6206 -3.3524 0.0000 Cl 0 0 13.7087 -5.4824 0.0000 C 0 0 13.0431 -3.3820 0.0000 C 0 0 13.0288 -4.2026 0.0000 N 0 0 12.9978 -5.8928 0.0000 C 0 0 12.3389 -2.9584 0.0000 C 0 0 13.0757 -1.7396 0.0000 N 0 3 14.4155 -5.8928 0.0000 C 0 0 13.7614 -2.9879 0.0000 C 0 0 15.6789 -6.3033 0.0000 C 0 0 15.1964 -5.6351 0.0000 C 0 0 13.7098 -4.6655 0.0000 C 0 0 13.7798 -2.1662 0.0000 C 0 0 13.0925 -0.9226 0.0000 O 0 5 13.7097 -7.9415 0.0000 O 0 0 13.0025 -8.3509 0.0000 C 0 0 16.4961 -6.3045 0.0000 C 0 0 16.9037 -7.0128 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 14 21 1 0 5 22 1 0 22 23 1 0 17 24 1 0 24 25 1 0 M CHG 2 14 1 21 -1 M END > CHEMBL2425750 > 0 $$$$ CHEMBL2425748 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 8.7855 -3.3692 0.0000 Cl 0 0 8.7365 -6.6766 0.0000 N 0 0 6.6741 -2.1005 0.0000 C 0 0 8.7679 -4.2643 0.0000 O 0 0 8.0296 -7.0871 0.0000 C 0 0 7.3187 -6.6766 0.0000 C 0 0 9.5173 -6.9304 0.0000 N 0 0 5.9415 -3.3153 0.0000 Cl 0 0 8.0296 -5.4452 0.0000 C 0 0 7.3640 -3.3448 0.0000 C 0 0 7.3497 -4.1655 0.0000 N 0 0 7.3187 -5.8557 0.0000 C 0 0 6.6599 -2.9213 0.0000 C 0 0 7.3966 -1.7024 0.0000 N 0 3 8.7365 -5.8557 0.0000 C 0 0 8.0824 -2.9507 0.0000 C 0 0 9.9998 -6.2662 0.0000 C 0 0 9.5173 -5.5979 0.0000 C 0 0 8.0307 -4.6284 0.0000 C 0 0 8.1008 -2.1291 0.0000 C 0 0 7.4135 -0.8854 0.0000 O 0 5 8.0307 -7.9043 0.0000 O 0 0 7.3235 -8.3138 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 14 21 1 0 5 22 1 0 22 23 1 0 M CHG 2 14 1 21 -1 M END > CHEMBL2425748 > 0 $$$$ CHEMBL2425746 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 4.0671 -2.7968 0.0000 Cl 0 0 4.0179 -6.1203 0.0000 N 0 0 1.9455 -1.5219 0.0000 C 0 0 4.0495 -3.6962 0.0000 O 0 0 3.3077 -6.5328 0.0000 C 0 0 2.5932 -6.1203 0.0000 C 0 0 4.8026 -6.3753 0.0000 N 0 0 1.2093 -2.7425 0.0000 Cl 0 0 3.3077 -4.8829 0.0000 C 0 0 2.6387 -2.7723 0.0000 C 0 0 2.6244 -3.5969 0.0000 N 0 0 2.5932 -5.2953 0.0000 C 0 0 1.9312 -2.3466 0.0000 C 0 0 2.6716 -1.1218 0.0000 N 0 0 4.0179 -5.2953 0.0000 C 0 0 3.3606 -2.3762 0.0000 C 0 0 5.2875 -5.7078 0.0000 C 0 0 4.8026 -5.0364 0.0000 C 0 0 3.3088 -4.0620 0.0000 C 0 0 3.3791 -1.5505 0.0000 C 0 0 6.1111 -5.7049 0.0000 C 0 0 6.6523 -6.3709 0.0000 F 0 0 6.6542 -5.0406 0.0000 F 0 0 3.3087 -7.3540 0.0000 O 0 0 2.5980 -7.7654 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 21 22 1 0 21 23 1 0 17 21 1 0 5 24 1 0 24 25 1 0 M END > CHEMBL2425746 > 0 $$$$ CHEMBL2425745 SciTegic12291823182D 27 29 0 0 0 0 999 V2000 10.0684 -22.6309 0.0000 C 0 0 10.8097 -22.2668 0.0000 O 0 0 9.3834 -22.1680 0.0000 N 0 0 9.3976 -21.3431 0.0000 C 0 0 10.1201 -20.9450 0.0000 C 0 0 10.1384 -20.1192 0.0000 C 0 0 9.4302 -19.6925 0.0000 N 0 0 8.7077 -20.0907 0.0000 C 0 0 8.6934 -20.9155 0.0000 C 0 0 10.8274 -21.3676 0.0000 Cl 0 0 7.9709 -21.3137 0.0000 Cl 0 0 9.3523 -23.8665 0.0000 C 0 0 9.3523 -24.6915 0.0000 C 0 0 10.0674 -25.1020 0.0000 C 0 0 10.0674 -23.4519 0.0000 C 0 0 10.7783 -23.8665 0.0000 C 0 0 10.7783 -24.6915 0.0000 N 0 0 11.5632 -24.9452 0.0000 N 0 0 12.0500 -24.2770 0.0000 C 0 0 11.5632 -23.6086 0.0000 C 0 0 10.0674 -25.9271 0.0000 C 0 0 9.3523 -26.3417 0.0000 C 0 0 12.8718 -24.2757 0.0000 C 0 0 13.6189 -24.2757 0.0000 F 0 0 13.4139 -24.9408 0.0000 F 0 0 13.4139 -23.6108 0.0000 F 0 0 10.7787 -26.3370 0.0000 O 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 21 22 1 0 23 24 1 0 23 25 1 0 23 26 1 0 19 23 1 0 15 1 1 0 21 27 2 0 M END > CHEMBL2425745 > 0 $$$$ CHEMBL2425744 SciTegic12291823182D 27 29 0 0 0 0 999 V2000 4.8963 -22.0691 0.0000 C 0 0 5.6342 -21.7068 0.0000 O 0 0 4.2144 -21.6084 0.0000 N 0 0 4.2286 -20.7873 0.0000 C 0 0 4.9478 -20.3910 0.0000 C 0 0 4.9660 -19.5689 0.0000 C 0 0 4.2610 -19.1442 0.0000 N 0 0 3.5418 -19.5406 0.0000 C 0 0 3.5276 -20.3616 0.0000 C 0 0 5.6518 -20.8117 0.0000 Cl 0 0 2.8084 -20.7580 0.0000 Cl 0 0 4.1834 -23.2991 0.0000 C 0 0 4.1834 -24.1204 0.0000 C 0 0 4.8953 -24.5290 0.0000 C 0 0 4.8953 -22.8863 0.0000 C 0 0 5.6030 -23.2991 0.0000 C 0 0 5.6030 -24.1204 0.0000 N 0 0 6.3843 -24.3729 0.0000 N 0 0 6.8688 -23.7077 0.0000 C 0 0 6.3843 -23.0424 0.0000 C 0 0 4.8953 -25.3503 0.0000 C 0 0 7.6869 -23.7065 0.0000 C 0 0 8.4305 -23.7065 0.0000 F 0 0 8.2264 -24.3685 0.0000 F 0 0 8.2264 -23.0445 0.0000 F 0 0 4.1876 -25.7589 0.0000 O 0 0 4.1876 -26.5761 0.0000 C 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 22 23 1 0 22 24 1 0 22 25 1 0 19 22 1 0 15 1 1 0 21 26 1 0 26 27 1 0 M END > CHEMBL2425744 > 0 $$$$ CHEMBL2425743 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 11.1656 -19.9395 0.0000 C 0 0 11.9035 -19.5771 0.0000 O 0 0 10.4836 -19.4787 0.0000 N 0 0 10.4978 -18.6577 0.0000 C 0 0 11.2170 -18.2613 0.0000 C 0 0 11.2353 -17.4393 0.0000 C 0 0 10.5303 -17.0146 0.0000 N 0 0 9.8111 -17.4109 0.0000 C 0 0 9.7969 -18.2320 0.0000 C 0 0 11.9210 -18.6820 0.0000 Cl 0 0 9.0777 -18.6283 0.0000 Cl 0 0 10.4527 -21.1694 0.0000 C 0 0 10.4527 -21.9907 0.0000 C 0 0 11.1645 -22.3993 0.0000 C 0 0 11.1645 -20.7567 0.0000 C 0 0 11.8722 -21.1694 0.0000 C 0 0 11.8722 -21.9907 0.0000 N 0 0 12.6536 -22.2433 0.0000 N 0 0 13.1380 -21.5780 0.0000 C 0 0 12.6536 -20.9128 0.0000 C 0 0 11.1645 -23.2206 0.0000 C 0 0 13.9562 -21.5768 0.0000 C 0 0 14.6997 -21.5768 0.0000 F 0 0 14.4957 -22.2388 0.0000 F 0 0 14.4957 -20.9149 0.0000 F 0 0 10.4568 -23.6292 0.0000 O 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 22 23 1 0 22 24 1 0 22 25 1 0 19 22 1 0 15 1 1 0 21 26 1 0 M END > CHEMBL2425743 > 0 $$$$ CHEMBL2425741 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 7.3066 -18.1772 0.0000 C 0 0 8.0445 -17.8148 0.0000 O 0 0 6.6247 -17.7164 0.0000 N 0 0 6.6389 -16.8954 0.0000 C 0 0 7.3581 -16.4990 0.0000 C 0 0 7.3763 -15.6770 0.0000 C 0 0 6.6713 -15.2522 0.0000 N 0 0 5.9521 -15.6486 0.0000 C 0 0 5.9379 -16.4696 0.0000 C 0 0 8.0621 -16.9197 0.0000 Cl 0 0 5.2187 -16.8660 0.0000 Cl 0 0 6.5937 -19.4071 0.0000 C 0 0 6.5937 -20.2284 0.0000 C 0 0 7.3056 -20.6370 0.0000 C 0 0 7.3056 -18.9944 0.0000 C 0 0 8.0133 -19.4071 0.0000 C 0 0 8.0133 -20.2284 0.0000 N 0 0 8.7946 -20.4809 0.0000 N 0 0 9.2791 -19.8157 0.0000 C 0 0 8.7946 -19.1504 0.0000 C 0 0 7.3056 -21.4583 0.0000 N 0 0 6.5937 -21.8710 0.0000 C 0 0 10.0972 -19.8145 0.0000 C 0 0 10.8408 -19.8145 0.0000 F 0 0 10.6367 -20.4765 0.0000 F 0 0 10.6367 -19.1526 0.0000 F 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 21 22 1 0 23 24 1 0 23 25 1 0 23 26 1 0 19 23 1 0 15 1 1 0 M END > CHEMBL2425741 > 0 $$$$ CHEMBL2425777 SciTegic12291823182D 27 29 0 0 0 0 999 V2000 14.1814 -21.1963 0.0000 C 0 0 14.9849 -21.0222 0.0000 O 0 0 13.6305 -20.5848 0.0000 N 0 0 13.8420 -19.7914 0.0000 C 0 0 14.6354 -19.5799 0.0000 C 0 0 14.8511 -18.7864 0.0000 C 0 0 14.2691 -18.2044 0.0000 N 0 3 13.4756 -18.4159 0.0000 C 0 0 13.2641 -19.2094 0.0000 C 0 0 15.2174 -20.1577 0.0000 Cl 0 0 12.4707 -19.4209 0.0000 Cl 0 0 11.7239 -22.2301 0.0000 C 0 0 11.7239 -23.0514 0.0000 C 0 0 12.4357 -23.4600 0.0000 C 0 0 12.4357 -21.8174 0.0000 C 0 0 13.1434 -22.2301 0.0000 C 0 0 13.1434 -23.0514 0.0000 N 0 0 13.9248 -23.3040 0.0000 N 0 0 14.4092 -22.6387 0.0000 C 0 0 13.9248 -21.9735 0.0000 C 0 0 12.4357 -24.2813 0.0000 O 0 0 11.7239 -24.6941 0.0000 C 0 0 15.2273 -22.6375 0.0000 C 0 0 15.9709 -22.6375 0.0000 F 0 0 15.7669 -23.2995 0.0000 F 0 0 15.7669 -21.9756 0.0000 F 0 0 14.4811 -17.4152 0.0000 O 0 5 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 21 22 1 0 20 1 1 0 23 24 1 0 23 25 1 0 23 26 1 0 19 23 1 0 7 27 1 0 M CHG 2 7 1 27 -1 M END > CHEMBL2425777 > 0 $$$$ CHEMBL2425776 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 14.9821 -18.9180 0.0000 C 0 0 15.7855 -18.7440 0.0000 O 0 0 14.4312 -18.3066 0.0000 N 0 0 14.6427 -17.5131 0.0000 C 0 0 15.4361 -17.3016 0.0000 C 0 0 15.6518 -16.5082 0.0000 C 0 0 15.0698 -15.9262 0.0000 N 0 0 14.2763 -16.1377 0.0000 C 0 0 14.0648 -16.9312 0.0000 C 0 0 16.0181 -17.8795 0.0000 Cl 0 0 13.2713 -17.1427 0.0000 Cl 0 0 12.5246 -19.9519 0.0000 C 0 0 12.5246 -20.7732 0.0000 C 0 0 13.2364 -21.1818 0.0000 C 0 0 13.2364 -19.5392 0.0000 C 0 0 13.9441 -19.9519 0.0000 C 0 0 13.9441 -20.7732 0.0000 N 0 0 14.7254 -21.0257 0.0000 N 0 0 15.2099 -20.3605 0.0000 C 0 0 14.7254 -19.6952 0.0000 C 0 0 13.2364 -22.0031 0.0000 O 0 0 12.5246 -22.4158 0.0000 C 0 0 16.0280 -20.3593 0.0000 C 0 0 16.7716 -20.3593 0.0000 F 0 0 16.5676 -21.0213 0.0000 F 0 0 16.5676 -19.6973 0.0000 F 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 21 22 1 0 20 1 1 0 23 24 1 0 23 25 1 0 23 26 1 0 19 23 1 0 M END > CHEMBL2425776 > 0 $$$$ CHEMBL2425775 SciTegic12291823182D 27 29 0 0 0 0 999 V2000 3.5693 -23.6288 0.0000 C 0 0 3.5682 -24.4561 0.0000 C 0 0 4.2830 -24.8690 0.0000 C 0 0 4.2812 -23.2160 0.0000 C 0 0 4.9965 -23.6252 0.0000 C 0 0 5.0015 -24.4561 0.0000 N 0 0 5.7933 -24.7084 0.0000 N 0 0 6.2779 -24.0331 0.0000 C 0 0 5.7854 -23.3638 0.0000 C 0 0 4.2821 -25.6940 0.0000 O 0 0 3.5671 -26.1057 0.0000 C 0 0 7.1069 -24.0296 0.0000 C 0 0 7.8576 -24.0251 0.0000 F 0 0 7.6554 -24.6947 0.0000 F 0 0 7.6476 -23.3580 0.0000 F 0 0 4.2787 -22.3910 0.0000 C 0 0 4.9920 -21.9764 0.0000 O 0 0 3.5631 -21.9806 0.0000 N 0 0 3.5605 -21.1557 0.0000 C 0 0 4.2757 -20.7459 0.0000 C 0 0 4.2736 -19.9216 0.0000 C 0 0 3.5573 -19.5104 0.0000 N 0 3 2.8418 -19.9294 0.0000 C 0 0 2.8474 -20.7523 0.0000 C 0 0 4.9945 -21.1590 0.0000 Cl 0 0 2.1375 -21.1705 0.0000 Cl 0 0 3.5538 -18.6855 0.0000 O 0 5 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 19 1 0 20 25 1 0 24 26 1 0 22 27 1 0 M CHG 2 22 1 27 -1 M END > CHEMBL2425775 > 0 $$$$ CHEMBL2425773 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 8.0737 -20.1753 0.0000 C 0 0 8.0725 -21.0026 0.0000 C 0 0 8.7874 -21.4155 0.0000 C 0 0 8.7856 -19.7624 0.0000 C 0 0 9.5010 -20.1716 0.0000 C 0 0 9.5058 -21.0027 0.0000 N 0 0 10.2977 -21.2549 0.0000 N 0 0 10.7823 -20.5797 0.0000 C 0 0 10.2898 -19.9103 0.0000 C 0 0 8.7864 -22.2405 0.0000 O 0 0 8.0715 -22.6522 0.0000 C 0 0 11.6113 -20.5761 0.0000 C 0 0 12.3620 -20.5716 0.0000 F 0 0 12.1600 -21.2412 0.0000 F 0 0 12.1521 -19.9046 0.0000 F 0 0 8.7831 -18.9375 0.0000 C 0 0 8.0674 -18.5271 0.0000 C 0 0 9.4963 -18.5228 0.0000 O 0 0 8.0683 -17.7028 0.0000 C 0 0 7.3534 -17.2925 0.0000 C 0 0 6.6391 -17.7073 0.0000 N 0 0 6.6443 -18.5365 0.0000 C 0 0 7.3598 -18.9431 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 16 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 17 1 0 M END > CHEMBL2425773 > 0 $$$$ CHEMBL2425772 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 8.6526 -20.9580 0.0000 C 0 0 8.6515 -21.7854 0.0000 C 0 0 9.3662 -22.1982 0.0000 C 0 0 9.3644 -20.5453 0.0000 C 0 0 10.0799 -20.9544 0.0000 C 0 0 10.0847 -21.7854 0.0000 N 0 0 10.8766 -22.0376 0.0000 N 0 0 11.3612 -21.3624 0.0000 C 0 0 10.8687 -20.6930 0.0000 C 0 0 9.3653 -23.0232 0.0000 O 0 0 8.6505 -23.4349 0.0000 C 0 0 12.1901 -21.3588 0.0000 C 0 0 12.9408 -21.3543 0.0000 F 0 0 12.7388 -22.0239 0.0000 F 0 0 12.7308 -20.6873 0.0000 F 0 0 9.3620 -19.7203 0.0000 C 0 0 8.6463 -19.3099 0.0000 C 0 0 10.0752 -19.3057 0.0000 O 0 0 8.6472 -18.4856 0.0000 C 0 0 7.9324 -18.0753 0.0000 C 0 0 7.2181 -18.4901 0.0000 N 0 0 7.2233 -19.3193 0.0000 C 0 0 7.9387 -19.7259 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 16 18 2 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 17 1 0 M END > CHEMBL2425772 > 0 $$$$ CHEMBL2425771 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 2.6777 -20.7497 0.0000 C 0 0 2.6765 -21.5770 0.0000 C 0 0 3.3913 -21.9899 0.0000 C 0 0 3.3895 -20.3369 0.0000 C 0 0 4.1049 -20.7461 0.0000 C 0 0 4.1098 -21.5770 0.0000 N 0 0 4.9016 -21.8292 0.0000 N 0 0 5.3862 -21.1540 0.0000 C 0 0 4.8937 -20.4847 0.0000 C 0 0 3.3904 -22.8149 0.0000 O 0 0 2.6755 -23.2266 0.0000 C 0 0 6.2152 -21.1505 0.0000 C 0 0 6.9658 -21.1460 0.0000 F 0 0 6.7638 -21.8155 0.0000 F 0 0 6.7559 -20.4789 0.0000 F 0 0 3.3871 -19.5119 0.0000 C 0 0 2.6713 -19.1015 0.0000 C 0 0 2.6689 -18.2765 0.0000 C 0 0 3.3841 -17.8667 0.0000 C 0 0 3.3820 -17.0425 0.0000 C 0 0 2.6657 -16.6313 0.0000 N 0 0 1.9501 -17.0503 0.0000 C 0 0 1.9558 -17.8732 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 M END > CHEMBL2425771 > 0 $$$$ CHEMBL2425769 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 9.3776 -8.8998 0.0000 C 0 0 9.3764 -9.7272 0.0000 C 0 0 10.0913 -10.1400 0.0000 C 0 0 10.0894 -8.4871 0.0000 C 0 0 10.8048 -8.8962 0.0000 C 0 0 10.8097 -9.7272 0.0000 N 0 0 11.6015 -9.9794 0.0000 N 0 0 12.0861 -9.3042 0.0000 C 0 0 11.5937 -8.6348 0.0000 C 0 0 10.0904 -10.9650 0.0000 O 0 0 9.3754 -11.3767 0.0000 C 0 0 12.9152 -9.3006 0.0000 C 0 0 13.6657 -9.2962 0.0000 F 0 0 13.4637 -9.9657 0.0000 F 0 0 13.4559 -8.6291 0.0000 F 0 0 10.0869 -7.6621 0.0000 C 0 0 9.3713 -7.2517 0.0000 C 0 0 9.3688 -6.4267 0.0000 C 0 0 10.0839 -6.0169 0.0000 C 0 0 10.0819 -5.1927 0.0000 C 0 0 9.3656 -4.7815 0.0000 N 0 0 8.6500 -5.2005 0.0000 C 0 0 8.6556 -6.0234 0.0000 C 0 0 10.8027 -6.4301 0.0000 Cl 0 0 7.9457 -6.4416 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 19 24 1 0 23 25 1 0 M END > CHEMBL2425769 > 0 $$$$ CHEMBL2425768 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 5.8776 -8.1165 0.0000 C 0 0 5.8765 -8.9438 0.0000 C 0 0 6.5913 -9.3567 0.0000 C 0 0 6.5895 -7.7037 0.0000 C 0 0 7.3048 -8.1129 0.0000 C 0 0 7.3098 -8.9439 0.0000 N 0 0 8.1016 -9.1961 0.0000 N 0 0 8.5861 -8.5209 0.0000 C 0 0 8.0937 -7.8515 0.0000 C 0 0 6.5904 -10.1817 0.0000 O 0 0 5.8754 -10.5934 0.0000 C 0 0 9.4152 -8.5173 0.0000 C 0 0 10.1658 -8.5128 0.0000 F 0 0 9.9638 -9.1824 0.0000 F 0 0 9.9559 -7.8458 0.0000 F 0 0 6.5870 -6.8788 0.0000 C 0 0 5.8713 -6.4684 0.0000 C 0 0 5.8689 -5.6434 0.0000 C 0 0 6.5840 -5.2336 0.0000 C 0 0 6.5819 -4.4094 0.0000 C 0 0 5.8656 -3.9982 0.0000 N 0 0 5.1501 -4.4172 0.0000 C 0 0 5.1557 -5.2400 0.0000 C 0 0 7.3003 -6.4641 0.0000 O 0 0 5.1581 -6.8830 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 16 24 2 0 17 25 2 0 M END > CHEMBL2425768 > 0 $$$$ CHEMBL2425767 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 4.8985 -8.4082 0.0000 C 0 0 4.8974 -9.2355 0.0000 C 0 0 5.6122 -9.6484 0.0000 C 0 0 5.6103 -7.9954 0.0000 C 0 0 6.3257 -8.4046 0.0000 C 0 0 6.3306 -9.2356 0.0000 N 0 0 7.1224 -9.4878 0.0000 N 0 0 7.6070 -8.8126 0.0000 C 0 0 7.1146 -8.1432 0.0000 C 0 0 5.6112 -10.4734 0.0000 O 0 0 4.8963 -10.8851 0.0000 C 0 0 8.4361 -8.8090 0.0000 C 0 0 9.1866 -8.8045 0.0000 F 0 0 8.9846 -9.4741 0.0000 F 0 0 8.9768 -8.1375 0.0000 F 0 0 5.6079 -7.1705 0.0000 C 0 0 4.8923 -6.7601 0.0000 C 0 0 4.8897 -5.9351 0.0000 C 0 0 5.6049 -5.5252 0.0000 C 0 0 5.6028 -4.7010 0.0000 C 0 0 4.8865 -4.2899 0.0000 N 0 0 4.1709 -4.7089 0.0000 C 0 0 4.1766 -5.5317 0.0000 C 0 0 6.3212 -6.7559 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 16 24 1 0 M END > CHEMBL2425767 > 0 $$$$ CHEMBL2425766 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 3.4527 -5.7790 0.0000 C 0 0 3.4515 -6.6064 0.0000 C 0 0 4.1664 -7.0192 0.0000 C 0 0 4.1646 -5.3663 0.0000 C 0 0 4.8799 -5.7754 0.0000 C 0 0 4.8848 -6.6064 0.0000 N 0 0 5.6766 -6.8586 0.0000 N 0 0 6.1612 -6.1834 0.0000 C 0 0 5.6688 -5.5140 0.0000 C 0 0 4.1654 -7.8442 0.0000 O 0 0 3.4505 -8.2559 0.0000 C 0 0 6.9902 -6.1798 0.0000 C 0 0 7.7409 -6.1754 0.0000 F 0 0 7.5388 -6.8449 0.0000 F 0 0 7.5310 -5.5084 0.0000 F 0 0 4.1620 -4.5413 0.0000 C 0 0 3.4464 -4.1309 0.0000 C 0 0 3.4439 -3.3059 0.0000 C 0 0 4.1590 -2.8961 0.0000 C 0 0 4.1569 -2.0719 0.0000 C 0 0 3.4407 -1.6607 0.0000 N 0 0 2.7252 -2.0798 0.0000 C 0 0 2.7307 -2.9026 0.0000 C 0 0 4.8778 -3.3093 0.0000 Cl 0 0 2.0208 -3.3208 0.0000 Cl 0 0 4.8753 -4.1267 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 19 24 1 0 23 25 1 0 16 26 1 0 M END > CHEMBL2425766 > 0 $$$$ CHEMBL2425764 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 8.6651 -5.5874 0.0000 C 0 0 8.6640 -6.4147 0.0000 C 0 0 9.3788 -6.8276 0.0000 C 0 0 9.3769 -5.1746 0.0000 C 0 0 10.0923 -5.5838 0.0000 C 0 0 10.0973 -6.4147 0.0000 N 0 0 10.8891 -6.6670 0.0000 N 0 0 11.3737 -5.9917 0.0000 C 0 0 10.8812 -5.3224 0.0000 C 0 0 9.3779 -7.6526 0.0000 O 0 0 8.6629 -8.0643 0.0000 C 0 0 12.2027 -5.9882 0.0000 C 0 0 12.9534 -5.9838 0.0000 F 0 0 12.7512 -6.6533 0.0000 F 0 0 12.7434 -5.3167 0.0000 F 0 0 9.3745 -4.3496 0.0000 C 0 0 8.6589 -3.9392 0.0000 C 0 0 8.6563 -3.1143 0.0000 C 0 0 9.3715 -2.7045 0.0000 C 0 0 9.3694 -1.8802 0.0000 C 0 0 8.6531 -1.4690 0.0000 N 0 0 7.9375 -1.8880 0.0000 C 0 0 7.9432 -2.7109 0.0000 C 0 0 10.0878 -3.9350 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 16 24 2 0 M END > CHEMBL2425764 > 0 $$$$ CHEMBL2425763 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 8.2859 -4.3707 0.0000 C 0 0 8.2848 -5.1981 0.0000 C 0 0 8.9995 -5.6109 0.0000 C 0 0 8.9978 -3.9580 0.0000 C 0 0 9.7132 -4.3671 0.0000 C 0 0 9.7180 -5.1981 0.0000 N 0 0 10.5099 -5.4503 0.0000 N 0 0 10.9945 -4.7751 0.0000 C 0 0 10.5020 -4.1057 0.0000 C 0 0 8.9986 -6.4359 0.0000 O 0 0 8.2838 -6.8476 0.0000 C 0 0 11.8234 -4.7715 0.0000 C 0 0 12.5741 -4.7670 0.0000 F 0 0 12.3721 -5.4366 0.0000 F 0 0 12.3641 -4.1000 0.0000 F 0 0 8.9953 -3.1330 0.0000 C 0 0 8.2796 -2.7226 0.0000 C 0 0 8.2771 -1.8976 0.0000 C 0 0 8.9923 -1.4878 0.0000 C 0 0 8.9902 -0.6636 0.0000 C 0 0 8.2740 -0.2524 0.0000 N 0 0 7.5583 -0.6714 0.0000 C 0 0 7.5640 -1.4943 0.0000 C 0 0 9.7111 -1.9010 0.0000 Cl 0 0 6.8541 -1.9125 0.0000 Cl 0 0 9.7085 -2.7184 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 19 24 1 0 23 25 1 0 16 26 2 0 M END > CHEMBL2425763 > 0 $$$$ CHEMBL2425762 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 5.3062 -4.7339 0.0000 C 0 0 5.3051 -5.5534 0.0000 C 0 0 6.0131 -5.9624 0.0000 C 0 0 6.0113 -4.3250 0.0000 C 0 0 6.7199 -4.7303 0.0000 C 0 0 6.7248 -5.5535 0.0000 N 0 0 7.5091 -5.8033 0.0000 N 0 0 7.9891 -5.1344 0.0000 C 0 0 7.5013 -4.4714 0.0000 C 0 0 6.0122 -6.7796 0.0000 O 0 0 5.3040 -7.1874 0.0000 C 0 0 8.8103 -5.1309 0.0000 C 0 0 9.5538 -5.1265 0.0000 F 0 0 9.3537 -5.7897 0.0000 F 0 0 9.3459 -4.4658 0.0000 F 0 0 6.0089 -3.5078 0.0000 N 0 0 5.2999 -3.1014 0.0000 C 0 0 5.2975 -2.2842 0.0000 C 0 0 6.0059 -1.8782 0.0000 C 0 0 6.0038 -1.0618 0.0000 C 0 0 5.2943 -0.6545 0.0000 N 0 0 4.5855 -1.0696 0.0000 C 0 0 4.5911 -1.8846 0.0000 C 0 0 6.7179 -2.2874 0.0000 Cl 0 0 3.8878 -2.2989 0.0000 Cl 0 0 4.5935 -3.5121 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 19 24 1 0 23 25 1 0 17 26 2 0 M END > CHEMBL2425762 > 0 $$$$ CHEMBL2425761 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 2.4152 -4.7957 0.0000 C 0 0 2.4140 -5.6230 0.0000 C 0 0 3.1289 -6.0360 0.0000 C 0 0 3.1271 -4.3829 0.0000 C 0 0 3.8424 -4.7921 0.0000 C 0 0 3.8473 -5.6232 0.0000 N 0 0 4.6391 -5.8753 0.0000 N 0 0 5.1237 -5.2002 0.0000 C 0 0 4.6313 -4.5307 0.0000 C 0 0 3.1280 -6.8610 0.0000 O 0 0 2.4130 -7.2726 0.0000 C 0 0 5.9528 -5.1965 0.0000 C 0 0 6.7034 -5.1921 0.0000 F 0 0 6.5014 -5.8616 0.0000 F 0 0 6.4935 -4.5251 0.0000 F 0 0 3.1245 -3.5580 0.0000 C 0 0 3.8378 -3.1433 0.0000 O 0 0 2.4089 -3.1477 0.0000 N 0 0 2.4064 -2.3227 0.0000 C 0 0 3.1215 -1.9128 0.0000 C 0 0 3.1195 -1.0886 0.0000 C 0 0 2.4032 -0.6774 0.0000 N 0 0 1.6877 -1.0965 0.0000 C 0 0 1.6932 -1.9192 0.0000 C 0 0 3.8403 -2.3259 0.0000 Cl 0 0 0.9833 -2.3375 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 19 1 0 20 25 1 0 24 26 1 0 M END > CHEMBL2425761 > 0 $$$$ CHEMBL193240 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 0.5774 1.7693 0.0000 O 0 0 -1.9785 -3.4827 0.0000 C 0 0 -1.1535 -3.4827 0.0000 C 0 0 -1.5660 -2.7682 0.0000 C 0 0 0.5774 0.9443 0.0000 C 0 0 -0.1371 0.5318 0.0000 C 0 0 -0.8516 0.9443 0.0000 C 0 0 -1.5660 0.5318 0.0000 C 0 0 -1.5660 -0.2932 0.0000 C 0 0 -2.2805 -0.7057 0.0000 O 0 0 -2.9950 -0.2932 0.0000 C 0 0 -3.7095 -0.7057 0.0000 F 0 0 -2.9950 0.5318 0.0000 F 0 0 -0.8516 -0.7057 0.0000 C 0 0 -0.8516 -1.5307 0.0000 O 0 0 -1.5660 -1.9432 0.0000 C 0 0 -0.1371 -0.2932 0.0000 C 0 0 1.2918 0.5318 0.0000 N 0 0 2.0063 0.9443 0.0000 C 0 0 2.7208 0.5318 0.0000 C 0 0 2.7208 -0.2932 0.0000 Cl 0 0 3.4353 0.9443 0.0000 C 0 0 3.4353 1.7693 0.0000 N 0 0 2.7208 2.1818 0.0000 C 0 0 2.0063 1.7693 0.0000 C 0 0 1.2918 2.1818 0.0000 Cl 0 0 5 1 2 0 3 2 1 0 4 2 1 0 4 3 1 0 16 4 1 0 5 6 1 0 5 18 1 0 7 6 2 0 17 6 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 14 1 0 11 10 1 0 11 12 1 0 11 13 1 0 14 15 1 0 14 17 2 0 16 15 1 0 19 18 1 0 20 19 2 0 25 19 1 0 20 21 1 0 22 20 1 0 22 23 2 0 24 23 1 0 25 24 2 0 25 26 1 0 M END > CHEMBL193240 > 0 $$$$ CHEMBL2425738 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 9.9494 -20.4023 0.0000 Cl 0 0 9.9003 -23.7097 0.0000 N 0 0 7.8380 -19.1336 0.0000 C 0 0 9.9318 -21.2974 0.0000 O 0 0 9.1935 -24.1202 0.0000 C 0 0 8.4826 -23.7097 0.0000 C 0 0 10.6812 -23.9635 0.0000 N 0 0 7.1054 -20.3484 0.0000 Cl 0 0 9.1935 -22.4783 0.0000 C 0 0 8.5279 -20.3779 0.0000 C 0 0 8.5136 -21.1985 0.0000 N 0 0 8.4826 -22.8888 0.0000 C 0 0 7.8237 -19.9544 0.0000 C 0 0 8.5605 -18.7355 0.0000 N 0 0 9.9003 -22.8888 0.0000 C 0 0 9.2463 -19.9838 0.0000 C 0 0 11.1637 -23.2992 0.0000 C 0 0 10.6812 -22.6310 0.0000 C 0 0 9.1946 -21.6615 0.0000 C 0 0 9.2646 -19.1622 0.0000 C 0 0 9.1945 -24.9374 0.0000 O 0 0 8.4873 -25.3469 0.0000 C 0 0 11.9769 -23.2980 0.0000 C 0 0 12.7940 -23.2992 0.0000 N 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 23 24 3 0 17 23 1 0 M END > CHEMBL2425738 > 0 $$$$ CHEMBL2425760 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 8.5874 -19.5356 0.0000 Cl 0 0 8.5384 -22.8430 0.0000 N 0 0 6.4760 -18.2669 0.0000 C 0 0 8.5698 -20.4307 0.0000 O 0 0 7.8315 -23.2535 0.0000 C 0 0 7.1206 -22.8430 0.0000 C 0 0 9.3192 -23.0968 0.0000 N 0 0 5.7434 -19.4816 0.0000 Cl 0 0 7.8315 -21.6116 0.0000 C 0 0 7.1659 -19.5112 0.0000 C 0 0 7.1516 -20.3318 0.0000 N 0 0 7.1206 -22.0221 0.0000 C 0 0 6.4618 -19.0877 0.0000 C 0 0 7.1985 -17.8688 0.0000 N 0 0 8.5384 -22.0221 0.0000 C 0 0 7.8843 -19.1171 0.0000 C 0 0 9.8017 -22.4325 0.0000 C 0 0 9.3192 -21.7643 0.0000 C 0 0 7.8326 -20.7947 0.0000 C 0 0 7.9026 -18.2954 0.0000 C 0 0 7.8326 -24.0707 0.0000 O 0 0 7.1254 -24.4802 0.0000 C 0 0 10.6189 -22.4337 0.0000 C 0 0 11.0265 -23.1420 0.0000 N 0 0 11.8437 -23.1432 0.0000 O 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 17 23 1 0 23 24 2 0 24 25 1 0 M END > CHEMBL2425760 > 0 $$$$ CHEMBL2425758 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 14.9598 -19.0899 0.0000 Cl 0 0 14.9108 -22.3973 0.0000 N 0 0 12.8485 -17.8212 0.0000 C 0 0 14.9422 -19.9849 0.0000 O 0 0 14.2040 -22.8077 0.0000 C 0 0 13.4930 -22.3973 0.0000 C 0 0 15.6917 -22.6510 0.0000 N 0 0 12.1158 -19.0359 0.0000 Cl 0 0 14.2040 -21.1658 0.0000 C 0 0 13.5383 -19.0654 0.0000 C 0 0 13.5241 -19.8861 0.0000 N 0 0 13.4930 -21.5763 0.0000 C 0 0 12.8342 -18.6419 0.0000 C 0 0 13.5710 -17.4230 0.0000 N 0 0 14.9108 -21.5763 0.0000 C 0 0 14.2567 -18.6713 0.0000 C 0 0 16.1742 -21.9868 0.0000 C 0 0 15.6917 -21.3185 0.0000 C 0 0 14.2051 -20.3490 0.0000 C 0 0 14.2751 -17.8497 0.0000 C 0 0 14.2050 -23.6249 0.0000 O 0 0 13.4978 -24.0344 0.0000 C 0 0 16.9914 -21.9880 0.0000 C 0 0 17.3989 -22.6963 0.0000 C 0 0 17.4010 -21.2808 0.0000 O 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 23 25 2 0 M END > CHEMBL2425758 > 0 $$$$ CHEMBL2425753 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 13.6556 -7.6120 0.0000 Cl 0 0 13.6066 -10.9194 0.0000 N 0 0 11.5443 -6.3433 0.0000 C 0 0 13.6380 -8.5071 0.0000 O 0 0 12.8998 -11.3299 0.0000 C 0 0 12.1888 -10.9194 0.0000 C 0 0 14.3875 -11.1732 0.0000 N 0 0 10.8116 -7.5581 0.0000 Cl 0 0 12.8998 -9.6880 0.0000 C 0 0 12.2341 -7.5876 0.0000 C 0 0 12.2199 -8.4083 0.0000 N 0 0 12.1888 -10.0985 0.0000 C 0 0 11.5300 -7.1641 0.0000 C 0 0 12.2668 -5.9452 0.0000 N 0 0 13.6066 -10.0985 0.0000 C 0 0 12.9525 -7.1935 0.0000 C 0 0 14.8700 -10.5090 0.0000 C 0 0 14.3875 -9.8407 0.0000 C 0 0 12.9009 -8.8712 0.0000 C 0 0 12.9709 -6.3719 0.0000 C 0 0 12.9008 -12.1471 0.0000 O 0 0 12.1936 -12.5566 0.0000 C 0 0 15.6849 -10.5060 0.0000 C 0 0 16.3920 -10.9156 0.0000 C 0 0 16.3932 -10.0984 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 24 23 1 0 25 24 1 0 23 25 1 0 17 23 1 0 M END > CHEMBL2425753 > 0 $$$$ CHEMBL2425749 SciTegic12291823182D 24 26 0 0 0 0 999 V2000 11.5136 -2.9606 0.0000 Cl 0 0 11.4646 -6.2681 0.0000 N 0 0 9.4022 -1.6920 0.0000 C 0 0 11.4960 -3.8557 0.0000 O 0 0 10.7577 -6.6785 0.0000 C 0 0 10.0468 -6.2681 0.0000 C 0 0 12.2454 -6.5218 0.0000 N 0 0 8.6696 -2.9067 0.0000 Cl 0 0 10.7577 -5.0366 0.0000 C 0 0 10.0921 -2.9362 0.0000 C 0 0 10.0778 -3.7569 0.0000 N 0 0 10.0468 -5.4471 0.0000 C 0 0 9.3880 -2.5127 0.0000 C 0 0 10.1247 -1.2938 0.0000 N 0 0 11.4646 -5.4471 0.0000 C 0 0 10.8105 -2.5421 0.0000 C 0 0 12.7279 -5.8576 0.0000 C 0 0 12.2454 -5.1893 0.0000 C 0 0 10.7588 -4.2198 0.0000 C 0 0 10.8289 -1.7205 0.0000 C 0 0 10.7588 -7.4957 0.0000 O 0 0 10.0516 -7.9052 0.0000 C 0 0 13.5451 -5.8588 0.0000 C 0 0 13.9527 -6.5670 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 17 23 1 0 23 24 1 0 M END > CHEMBL2425749 > 0 $$$$ CHEMBL2425747 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 8.0054 -2.7749 0.0000 Cl 0 0 7.9564 -6.0823 0.0000 N 0 0 5.8941 -1.5062 0.0000 C 0 0 7.9879 -3.6700 0.0000 O 0 0 7.2496 -6.4928 0.0000 C 0 0 6.5386 -6.0823 0.0000 C 0 0 8.7373 -6.3361 0.0000 N 0 0 5.1614 -2.7210 0.0000 Cl 0 0 7.2496 -4.8509 0.0000 C 0 0 6.5839 -2.7505 0.0000 C 0 0 6.5697 -3.5712 0.0000 N 0 0 6.5386 -5.2614 0.0000 C 0 0 5.8798 -2.3270 0.0000 C 0 0 6.6166 -1.1081 0.0000 N 0 0 7.9564 -5.2614 0.0000 C 0 0 7.3023 -2.3564 0.0000 C 0 0 9.2198 -5.6719 0.0000 C 0 0 8.7373 -5.0036 0.0000 C 0 0 7.2507 -4.0341 0.0000 C 0 0 7.3207 -1.5348 0.0000 C 0 0 7.2506 -7.3100 0.0000 O 0 0 6.5434 -7.7195 0.0000 C 0 0 5 2 1 0 11 10 1 0 3 13 2 0 16 1 1 0 19 4 2 0 16 20 1 0 9 12 2 0 17 18 1 0 15 9 1 0 14 3 1 0 13 10 1 0 20 14 2 0 18 15 2 0 12 6 1 0 6 5 2 0 9 19 1 0 19 11 1 0 2 7 1 0 7 17 2 0 10 16 2 0 13 8 1 0 15 2 1 0 5 21 1 0 21 22 1 0 M END > CHEMBL2425747 > 0 $$$$ CHEMBL2425742 SciTegic12291823182D 27 29 0 0 0 0 999 V2000 11.2316 -18.7509 0.0000 C 0 0 11.9695 -18.3885 0.0000 O 0 0 10.5497 -18.2901 0.0000 N 0 0 10.5639 -17.4690 0.0000 C 0 0 11.2831 -17.0727 0.0000 C 0 0 11.3013 -16.2506 0.0000 C 0 0 10.5963 -15.8259 0.0000 N 0 0 9.8771 -16.2223 0.0000 C 0 0 9.8629 -17.0433 0.0000 C 0 0 11.9871 -17.4934 0.0000 Cl 0 0 9.1437 -17.4397 0.0000 Cl 0 0 10.5187 -19.9808 0.0000 C 0 0 10.5187 -20.8021 0.0000 C 0 0 11.2306 -21.2107 0.0000 C 0 0 11.2306 -19.5680 0.0000 C 0 0 11.9383 -19.9808 0.0000 C 0 0 11.9383 -20.8021 0.0000 N 0 0 12.7196 -21.0546 0.0000 N 0 0 13.2041 -20.3894 0.0000 C 0 0 12.7196 -19.7241 0.0000 C 0 0 11.2306 -22.0320 0.0000 C 0 0 10.5187 -22.4447 0.0000 C 0 0 14.0222 -20.3882 0.0000 C 0 0 14.7658 -20.3882 0.0000 F 0 0 14.5617 -21.0502 0.0000 F 0 0 14.5617 -19.7262 0.0000 F 0 0 11.9387 -22.4399 0.0000 O 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 21 22 1 0 23 24 1 0 23 25 1 0 23 26 1 0 19 23 1 0 15 1 1 0 21 27 1 0 M END > CHEMBL2425742 > 0 $$$$ CHEMBL2425826 SciTegic12291823182D 26 28 0 0 0 0 999 V2000 3.7489 -18.2143 0.0000 C 0 0 4.4869 -17.8519 0.0000 O 0 0 3.0670 -17.7535 0.0000 N 0 0 3.0812 -16.9325 0.0000 C 0 0 3.8004 -16.5361 0.0000 C 0 0 3.8186 -15.7141 0.0000 C 0 0 3.1136 -15.2894 0.0000 N 0 0 2.3944 -15.6857 0.0000 C 0 0 2.3802 -16.5068 0.0000 C 0 0 4.5044 -16.9569 0.0000 Cl 0 0 1.6610 -16.9031 0.0000 Cl 0 0 3.0361 -19.4442 0.0000 C 0 0 3.0361 -20.2655 0.0000 C 0 0 3.7479 -20.6741 0.0000 C 0 0 3.7479 -19.0315 0.0000 C 0 0 4.4556 -19.4442 0.0000 C 0 0 4.4556 -20.2655 0.0000 N 0 0 5.2369 -20.5181 0.0000 N 0 0 5.7214 -19.8528 0.0000 C 0 0 5.2369 -19.1876 0.0000 C 0 0 3.7479 -21.4955 0.0000 S 0 0 3.0361 -21.9082 0.0000 C 0 0 6.5395 -19.8517 0.0000 C 0 0 7.2831 -19.8517 0.0000 F 0 0 7.0791 -20.5136 0.0000 F 0 0 7.0791 -19.1897 0.0000 F 0 0 1 2 2 0 1 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 4 1 0 5 10 1 0 9 11 1 0 12 13 1 0 13 14 2 0 14 17 1 0 16 15 1 0 15 12 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 16 2 0 14 21 1 0 21 22 1 0 23 24 1 0 23 25 1 0 23 26 1 0 19 23 1 0 15 1 1 0 M END > CHEMBL2425826 > 0 $$$$ CHEMBL2425774 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 6.9447 -19.1916 0.0000 C 0 0 6.9436 -20.0111 0.0000 C 0 0 7.6516 -20.4201 0.0000 C 0 0 7.6498 -18.7827 0.0000 C 0 0 8.3584 -19.1880 0.0000 C 0 0 8.3633 -20.0111 0.0000 N 0 0 9.1476 -20.2610 0.0000 N 0 0 9.6276 -19.5921 0.0000 C 0 0 9.1398 -18.9291 0.0000 C 0 0 7.6507 -21.2373 0.0000 O 0 0 6.9425 -21.6451 0.0000 C 0 0 10.4488 -19.5886 0.0000 C 0 0 11.1924 -19.5842 0.0000 F 0 0 10.9922 -20.2474 0.0000 F 0 0 10.9844 -18.9234 0.0000 F 0 0 7.6474 -17.9655 0.0000 C 0 0 6.9385 -17.5590 0.0000 C 0 0 6.9394 -16.7426 0.0000 C 0 0 6.2313 -16.3362 0.0000 C 0 0 5.5238 -16.7470 0.0000 N 0 0 5.5289 -17.5684 0.0000 C 0 0 6.2375 -17.9711 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 M END > CHEMBL2425774 > 0 $$$$ CHEMBL2425770 SciTegic12291823182D 23 25 0 0 0 0 999 V2000 12.1609 -10.5790 0.0000 C 0 0 12.1597 -11.4063 0.0000 C 0 0 12.8746 -11.8192 0.0000 C 0 0 12.8728 -10.1662 0.0000 C 0 0 13.5881 -10.5753 0.0000 C 0 0 13.5930 -11.4064 0.0000 N 0 0 14.3848 -11.6586 0.0000 N 0 0 14.8694 -10.9833 0.0000 C 0 0 14.3770 -10.3140 0.0000 C 0 0 12.8737 -12.6442 0.0000 O 0 0 12.1587 -13.0559 0.0000 C 0 0 15.6984 -10.9798 0.0000 C 0 0 16.4490 -10.9753 0.0000 F 0 0 16.2470 -11.6448 0.0000 F 0 0 16.2392 -10.3083 0.0000 F 0 0 12.8702 -9.3412 0.0000 C 0 0 12.1546 -8.9309 0.0000 C 0 0 12.1521 -8.1059 0.0000 C 0 0 12.8672 -7.6960 0.0000 C 0 0 12.8651 -6.8718 0.0000 C 0 0 12.1489 -6.4607 0.0000 N 0 0 11.4333 -6.8797 0.0000 C 0 0 11.4389 -7.7025 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 M END > CHEMBL2425770 > 0 $$$$ CHEMBL2425765 SciTegic12291823182D 25 27 0 0 0 0 999 V2000 8.8804 -4.9031 0.0000 C 0 0 8.8792 -5.7226 0.0000 C 0 0 9.5873 -6.1316 0.0000 C 0 0 9.5855 -4.4942 0.0000 C 0 0 10.2941 -4.8995 0.0000 C 0 0 10.2989 -5.7227 0.0000 N 0 0 11.0833 -5.9725 0.0000 N 0 0 11.5633 -5.3037 0.0000 C 0 0 11.0755 -4.6406 0.0000 C 0 0 9.5864 -6.9488 0.0000 O 0 0 8.8782 -7.3566 0.0000 C 0 0 12.3845 -5.3001 0.0000 C 0 0 13.1280 -5.2957 0.0000 F 0 0 12.9279 -5.9589 0.0000 F 0 0 12.9201 -4.6350 0.0000 F 0 0 9.5830 -3.6771 0.0000 C 0 0 8.8741 -3.2706 0.0000 N 0 0 8.8717 -2.4534 0.0000 C 0 0 9.5800 -2.0474 0.0000 C 0 0 9.5780 -1.2310 0.0000 C 0 0 8.8685 -0.8237 0.0000 N 0 0 8.1597 -1.2388 0.0000 C 0 0 8.1653 -2.0538 0.0000 C 0 0 10.2921 -2.4566 0.0000 Cl 0 0 7.4620 -2.4681 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 3 10 1 0 10 11 1 0 12 13 1 0 12 14 1 0 12 15 1 0 8 12 1 0 4 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 19 24 1 0 23 25 1 0 M END > CHEMBL2425765 > 0 $$$$ CHEMBL2001019 SciTegic12291823182D 28 32 0 0 0 0 999 V2000 7.0287 -50.9365 0.0000 C 0 0 7.8494 -51.0205 0.0000 C 0 0 8.1871 -51.7732 0.0000 N 0 0 7.7766 -52.4888 0.0000 N 0 0 8.3304 -53.1004 0.0000 C 0 0 9.0831 -52.7627 0.0000 C 0 0 8.9946 -51.9425 0.0000 C 0 0 11.2300 -53.9942 0.0000 C 0 0 11.2277 -53.1692 0.0000 C 0 0 10.5167 -54.4087 0.0000 N 0 0 10.5120 -52.7587 0.0000 N 0 0 9.7987 -53.1732 0.0000 C 0 0 9.8010 -53.9982 0.0000 C 0 0 12.0116 -52.9121 0.0000 N 0 0 12.4984 -53.5781 0.0000 N 0 0 12.0153 -54.2469 0.0000 N 0 0 12.2643 -52.1267 0.0000 C 0 0 15.4494 -51.2637 0.0000 N 0 0 15.6607 -50.4662 0.0000 C 0 0 15.0757 -49.8845 0.0000 C 0 0 14.2795 -50.1003 0.0000 C 0 0 14.0682 -50.8977 0.0000 C 0 0 13.2719 -51.1135 0.0000 C 0 0 13.0606 -51.9110 0.0000 C 0 0 13.6456 -52.4927 0.0000 C 0 0 14.4419 -52.2769 0.0000 C 0 0 14.6532 -51.4795 0.0000 C 0 0 6.6911 -50.1838 0.0000 O 0 0 1 2 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 3 7 1 0 8 9 1 0 8 10 2 0 9 11 2 0 11 12 1 0 12 13 2 0 10 13 1 0 14 15 1 0 15 16 2 0 8 16 1 0 9 14 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 18 27 1 0 22 27 1 0 17 24 1 0 14 17 1 0 6 12 1 0 2 3 1 0 1 28 1 0 M END > CHEMBL2001019 > 1 $$$$ CHEMBL2431819 SciTegic12291823182D 27 31 0 0 0 0 999 V2000 9.9673 -2.5424 0.0000 C 0 0 10.6750 -2.1338 0.0000 C 0 0 1 0 0 0 11.3827 -2.5424 0.0000 C 0 0 10.6750 -1.3166 0.0000 C 0 0 10.2655 -0.0540 0.0000 N 0 0 10.0131 -0.8312 0.0000 N 0 0 11.0828 -0.0540 0.0000 C 0 0 11.3370 -0.8288 0.0000 N 0 0 12.1307 -0.9951 0.0000 N 0 0 12.6758 -0.3895 0.0000 C 0 0 12.4216 0.3906 0.0000 C 0 0 11.6222 0.5599 0.0000 C 0 0 13.4763 -0.5577 0.0000 C 0 0 13.8099 -1.3037 0.0000 C 0 0 14.6225 -1.2170 0.0000 N 0 0 14.7912 -0.4174 0.0000 N 0 0 14.0828 -0.0100 0.0000 C 0 0 15.5372 -0.0838 0.0000 C 0 0 11.3801 -3.3606 0.0000 C 0 0 12.0870 -3.7691 0.0000 C 0 0 12.0856 -2.1343 0.0000 C 0 0 12.7931 -2.5391 0.0000 C 0 0 12.7919 -3.3577 0.0000 C 0 0 13.4991 -3.7663 0.0000 N 0 0 14.2081 -3.3574 0.0000 C 0 0 14.2053 -2.5356 0.0000 C 0 0 13.4975 -2.1307 0.0000 C 0 0 1 2 1 0 2 3 1 0 2 4 1 6 4 8 1 0 7 5 2 0 5 6 1 0 6 4 2 0 7 8 1 0 7 12 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 13 2 0 10 13 1 0 16 18 1 0 3 19 2 0 19 20 1 0 20 23 2 0 22 21 2 0 21 3 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 22 1 0 M END > CHEMBL2431819 > 1 $$$$ CHEMBL2431835 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 8.9520 -26.6990 0.0000 C 0 0 8.9520 -27.5162 0.0000 C 0 0 9.6572 -27.9207 0.0000 N 0 0 9.6572 -26.2863 0.0000 N 0 0 10.3625 -26.6990 0.0000 C 0 0 10.3625 -27.5172 0.0000 C 0 0 11.1406 -27.7702 0.0000 N 0 0 11.6217 -27.1082 0.0000 N 0 0 11.1407 -26.4463 0.0000 N 0 0 11.3932 -25.6691 0.0000 C 0 0 2 0 0 0 12.1926 -25.4992 0.0000 C 0 0 12.7367 -26.1088 0.0000 C 0 0 13.5353 -25.9394 0.0000 C 0 0 12.4404 -24.7253 0.0000 C 0 0 8.2455 -26.2946 0.0000 C 0 0 8.1572 -25.4846 0.0000 C 0 0 7.3603 -25.3183 0.0000 N 0 0 6.9559 -26.0248 0.0000 N 0 0 7.5029 -26.6277 0.0000 C 0 0 6.1435 -26.1133 0.0000 C 0 0 13.2370 -24.5528 0.0000 C 0 0 13.7845 -25.1601 0.0000 C 0 0 14.5822 -24.9890 0.0000 N 0 0 14.8335 -24.2111 0.0000 C 0 0 14.2809 -23.6042 0.0000 C 0 0 13.4853 -23.7784 0.0000 C 0 0 10.8465 -25.0618 0.0000 C 0 0 5.6607 -25.4540 0.0000 C 0 0 4.8483 -25.5425 0.0000 O 0 0 1 2 1 0 1 4 2 0 2 3 2 0 3 6 1 0 5 4 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 22 2 0 21 14 2 0 14 11 1 0 1 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 15 2 0 18 20 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 21 1 0 10 27 1 1 20 28 1 0 28 29 1 0 M END > CHEMBL2431835 > 1 $$$$ CHEMBL2431834 SciTegic12291823182D 27 31 0 0 0 0 999 V2000 -1.4775 -27.6524 0.0000 C 0 0 -1.4775 -28.4696 0.0000 C 0 0 -0.7796 -28.8741 0.0000 N 0 0 -0.7796 -27.2397 0.0000 N 0 0 -0.0733 -27.6524 0.0000 C 0 0 -0.0733 -28.4706 0.0000 C 0 0 0.7111 -28.7236 0.0000 N 0 0 1.1922 -28.0616 0.0000 N 0 0 0.7112 -27.3997 0.0000 N 0 0 0.9637 -26.6225 0.0000 C 0 0 2 0 0 0 1.7631 -26.4526 0.0000 C 0 0 2.3072 -27.0622 0.0000 C 0 0 3.1058 -26.8928 0.0000 C 0 0 2.0109 -25.6787 0.0000 C 0 0 -2.1908 -27.2480 0.0000 C 0 0 -2.2759 -26.4380 0.0000 C 0 0 -3.0721 -26.2717 0.0000 N 0 0 -3.4766 -26.9782 0.0000 N 0 0 -2.9341 -27.5811 0.0000 C 0 0 -4.2904 -27.0667 0.0000 C 0 0 2.8075 -25.5062 0.0000 C 0 0 3.3550 -26.1135 0.0000 C 0 0 4.1527 -25.9424 0.0000 N 0 0 4.4040 -25.1645 0.0000 C 0 0 3.8514 -24.5576 0.0000 C 0 0 3.0558 -24.7318 0.0000 C 0 0 0.4169 -26.0152 0.0000 C 0 0 1 2 1 0 1 4 2 0 2 3 2 0 3 6 1 0 5 4 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 22 2 0 21 14 2 0 14 11 1 0 1 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 15 2 0 18 20 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 21 1 0 10 27 1 1 M END > CHEMBL2431834 > 1 $$$$ CHEMBL2431826 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 8.0068 -16.9794 0.0000 C 0 0 8.0068 -17.7966 0.0000 C 0 0 8.7121 -18.2011 0.0000 C 0 0 8.7121 -16.5667 0.0000 N 0 0 9.4174 -16.9794 0.0000 N 0 0 9.4173 -17.7976 0.0000 C 0 0 10.1955 -18.0505 0.0000 N 0 0 10.6765 -17.3886 0.0000 N 0 0 10.1956 -16.7267 0.0000 C 0 0 10.4481 -15.9495 0.0000 C 0 0 2 0 0 0 11.2474 -15.7796 0.0000 C 0 0 11.7915 -16.3892 0.0000 C 0 0 12.5902 -16.2198 0.0000 C 0 0 11.4952 -15.0057 0.0000 C 0 0 7.3003 -16.5750 0.0000 C 0 0 7.2993 -15.7567 0.0000 C 0 0 6.5912 -15.3503 0.0000 C 0 0 5.8837 -15.7610 0.0000 C 0 0 5.8887 -16.5824 0.0000 C 0 0 6.5974 -16.9851 0.0000 C 0 0 12.2919 -14.8332 0.0000 C 0 0 12.8394 -15.4405 0.0000 C 0 0 13.6371 -15.2694 0.0000 N 0 0 13.8883 -14.4915 0.0000 C 0 0 13.3358 -13.8846 0.0000 C 0 0 12.5401 -14.0588 0.0000 C 0 0 6.5892 -14.5331 0.0000 C 0 0 9.9013 -15.3422 0.0000 C 0 0 6.5860 -13.7182 0.0000 N 0 0 1 2 1 0 1 4 2 0 2 3 2 0 3 6 1 0 5 4 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 5 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 22 2 0 21 14 2 0 14 11 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 1 15 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 21 1 0 17 27 1 0 10 28 1 1 27 29 3 0 M END > CHEMBL2431826 > 1 $$$$ CHEMBL2431822 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 7.2763 -8.8570 0.0000 C 0 0 7.2763 -9.6742 0.0000 C 0 0 7.9816 -10.0787 0.0000 C 0 0 7.9816 -8.4443 0.0000 N 0 0 8.6869 -8.8570 0.0000 N 0 0 8.6868 -9.6752 0.0000 C 0 0 9.4650 -9.9282 0.0000 N 0 0 9.9460 -9.2662 0.0000 N 0 0 9.4650 -8.6043 0.0000 C 0 0 9.7176 -7.8271 0.0000 C 0 0 2 0 0 0 10.5169 -7.6572 0.0000 C 0 0 11.0610 -8.2668 0.0000 C 0 0 11.8597 -8.0974 0.0000 C 0 0 10.7647 -6.8833 0.0000 C 0 0 6.5698 -8.4526 0.0000 C 0 0 6.5687 -7.6343 0.0000 C 0 0 5.8607 -7.2279 0.0000 C 0 0 5.1532 -7.6386 0.0000 C 0 0 5.1582 -8.4600 0.0000 C 0 0 5.8669 -8.8628 0.0000 C 0 0 4.4437 -7.2330 0.0000 F 0 0 11.5613 -6.7108 0.0000 C 0 0 12.1089 -7.3181 0.0000 C 0 0 12.9066 -7.1470 0.0000 N 0 0 13.1578 -6.3691 0.0000 C 0 0 12.6052 -5.7622 0.0000 C 0 0 11.8096 -5.9364 0.0000 C 0 0 5.8587 -6.4107 0.0000 F 0 0 9.1708 -7.2198 0.0000 C 0 0 1 2 1 0 1 4 2 0 2 3 2 0 3 6 1 0 5 4 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 5 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 23 2 0 22 14 2 0 14 11 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 1 15 1 0 18 21 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 22 1 0 17 28 1 0 10 29 1 1 M END > CHEMBL2431822 > 1 $$$$ CHEMBL3094145 SciTegic12291823182D 31 36 0 0 0 0 999 V2000 7.5671 -6.6035 0.0000 C 0 0 7.5671 -5.7821 0.0000 C 0 0 8.2748 -5.3694 0.0000 C 0 0 8.9866 -5.7821 0.0000 C 0 0 8.9866 -6.6035 0.0000 C 0 0 8.2748 -7.0121 0.0000 C 0 0 9.7679 -5.5255 0.0000 N 0 0 10.2524 -6.1907 0.0000 C 0 0 9.7679 -6.8560 0.0000 S 0 0 10.2524 -4.8602 0.0000 C 0 0 11.0337 -5.1169 0.0000 N 0 0 11.0337 -5.9382 0.0000 C 0 0 6.8577 -7.0106 0.0000 O 0 0 6.1483 -6.6035 0.0000 C 0 0 5.4389 -7.0106 0.0000 C 0 0 5.4389 -7.8320 0.0000 C 0 0 4.7271 -8.2447 0.0000 C 0 0 4.0152 -7.8320 0.0000 C 0 0 4.0152 -7.0106 0.0000 C 0 0 4.7271 -6.6020 0.0000 N 0 0 3.3034 -8.2447 0.0000 C 0 0 2.5916 -7.8320 0.0000 C 0 0 2.5916 -7.0106 0.0000 C 0 0 3.3034 -6.6020 0.0000 C 0 0 11.6967 -6.4169 0.0000 C 0 0 9.9966 -4.0816 0.0000 C 0 0 10.5475 -3.4743 0.0000 C 0 0 10.2950 -2.6930 0.0000 C 0 0 9.4915 -2.5231 0.0000 O 0 0 8.9406 -3.1304 0.0000 C 0 0 9.1973 -3.9117 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 5 1 0 7 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 1 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 18 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 19 1 0 12 25 1 0 10 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 26 1 0 M END > CHEMBL3094145 > 0 $$$$ CHEMBL3094141 SciTegic12291823182D 31 36 0 0 0 0 999 V2000 5.8814 -14.6379 0.0000 N 0 0 6.6024 -15.0343 0.0000 C 0 0 6.6167 -15.8570 0.0000 C 0 0 5.9133 -16.2812 0.0000 C 0 0 5.1958 -15.8827 0.0000 C 0 0 4.4925 -16.3069 0.0000 C 0 0 3.7715 -15.9105 0.0000 C 0 0 3.7594 -15.0913 0.0000 C 0 0 4.4627 -14.6671 0.0000 C 0 0 5.1781 -15.0621 0.0000 C 0 0 10.9337 -14.7941 0.0000 S 0 0 11.4013 -14.1240 0.0000 C 0 0 10.9063 -13.4686 0.0000 N 0 0 10.1284 -13.7345 0.0000 C 0 0 10.1462 -14.5551 0.0000 C 0 0 11.3753 -12.7928 0.0000 C 0 0 12.1629 -13.0318 0.0000 N 0 0 12.1771 -13.8545 0.0000 C 0 0 9.4429 -14.9793 0.0000 C 0 0 8.7218 -14.5829 0.0000 C 0 0 8.7097 -13.7637 0.0000 C 0 0 9.4130 -13.3396 0.0000 C 0 0 8.0185 -15.0071 0.0000 O 0 0 11.3785 -10.6193 0.0000 C 0 0 11.6445 -11.3972 0.0000 C 0 0 11.1058 -12.0170 0.0000 C 0 0 10.3034 -11.8624 0.0000 C 0 0 10.0339 -11.0866 0.0000 C 0 0 10.5704 -10.4634 0.0000 N 0 0 12.8529 -14.3235 0.0000 C 0 0 7.3031 -14.6121 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 1 10 1 0 5 10 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 11 15 1 0 16 17 2 0 17 18 1 0 12 18 2 0 13 16 1 0 19 20 1 0 20 21 2 0 21 22 1 0 14 22 2 0 15 19 2 0 20 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 2 0 16 26 1 0 18 30 1 0 23 31 1 0 31 2 1 0 M END > CHEMBL3094141 > 0 $$$$ CHEMBL3092413 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 1.5463 -3.8754 0.0000 C 0 0 1.5451 -4.6950 0.0000 C 0 0 2.2532 -5.1039 0.0000 C 0 0 2.9629 -4.6945 0.0000 N 0 0 2.9600 -3.8718 0.0000 C 0 0 2.2514 -3.4666 0.0000 C 0 0 2.2535 -5.9162 0.0000 N 0 0 1.5439 -6.3234 0.0000 C 0 0 1.5418 -7.1370 0.0000 C 0 0 2.2476 -7.5496 0.0000 N 0 0 2.9572 -7.1424 0.0000 C 0 0 2.9610 -6.3226 0.0000 C 0 0 2.2443 -8.3668 0.0000 C 0 0 2.9503 -8.7782 0.0000 C 0 0 3.0362 -9.5870 0.0000 N 0 0 3.7019 -8.4446 0.0000 C 0 0 4.2463 -9.0540 0.0000 N 0 0 3.8326 -9.7576 0.0000 C 0 0 4.2350 -10.4656 0.0000 C 0 0 5.0510 -10.4712 0.0000 C 0 0 5.4629 -9.7629 0.0000 C 0 0 5.0581 -9.0578 0.0000 C 0 0 2.2493 -2.6535 0.0000 C 0 0 2.2469 -1.8363 0.0000 N 0 0 6.2822 -9.7665 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 1 0 7 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 3 7 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 18 2 0 17 16 1 0 16 14 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 23 24 3 0 6 23 1 0 21 25 1 0 M END > CHEMBL3092413 > 0 $$$$ CHEMBL3122212 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 16.5951 -21.5103 0.0000 N 0 0 17.3114 -21.0970 0.0000 C 0 0 17.3086 -20.2665 0.0000 C 0 0 16.5933 -19.8575 0.0000 N 0 0 15.8802 -21.0976 0.0000 C 0 0 15.8815 -20.2686 0.0000 C 0 0 15.0935 -20.0113 0.0000 C 0 0 14.6053 -20.6811 0.0000 N 0 0 15.0916 -21.3525 0.0000 N 0 0 14.8398 -19.2263 0.0000 C 0 0 18.0266 -21.5084 0.0000 O 0 0 18.7404 -21.0948 0.0000 C 0 0 19.4555 -21.5062 0.0000 C 0 0 19.4521 -22.3296 0.0000 C 0 0 20.1664 -22.7409 0.0000 C 0 0 20.8811 -22.3272 0.0000 C 0 0 20.8772 -21.4979 0.0000 C 0 0 20.1623 -21.0904 0.0000 N 0 0 14.8355 -22.1367 0.0000 C 0 0 15.3932 -18.6155 0.0000 C 0 0 15.1401 -17.8312 0.0000 N 0 0 14.3326 -17.6578 0.0000 C 0 0 13.7788 -18.2750 0.0000 C 0 0 14.0349 -19.0570 0.0000 C 0 0 13.4842 -19.6713 0.0000 C 0 0 5 1 1 0 1 2 2 0 2 3 1 0 3 4 2 0 4 6 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 1 0 7 10 1 0 2 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 9 19 1 0 10 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 10 1 0 24 25 1 0 M END > CHEMBL3122212 > 1 $$$$ CHEMBL3222276 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 5.9178 -13.2507 0.0000 N 0 0 6.6322 -13.6632 0.0000 C 0 0 6.6322 -14.4882 0.0000 C 0 0 5.9178 -14.9007 0.0000 C 0 0 5.2033 -14.4882 0.0000 C 0 0 4.4888 -14.9007 0.0000 C 0 0 3.7743 -14.4882 0.0000 C 0 0 3.7743 -13.6632 0.0000 C 0 0 4.4888 -13.2507 0.0000 C 0 0 5.2033 -13.6632 0.0000 C 0 0 7.3467 -13.2507 0.0000 C 0 0 8.0612 -13.6632 0.0000 O 0 0 8.7756 -13.2507 0.0000 C 0 0 8.7756 -12.4257 0.0000 C 0 0 9.4901 -12.0132 0.0000 C 0 0 10.2046 -12.4257 0.0000 C 0 0 10.2046 -13.2507 0.0000 C 0 0 9.4901 -13.6632 0.0000 C 0 0 11.0053 -11.1928 0.0000 N 0 0 11.8123 -11.0212 0.0000 N 0 0 12.2248 -11.7357 0.0000 C 0 0 11.6727 -12.3488 0.0000 C 0 0 10.9191 -12.0132 0.0000 C 0 0 11.4027 -14.5148 0.0000 C 0 0 11.2312 -13.7078 0.0000 C 0 0 11.8443 -13.1558 0.0000 C 0 0 12.6289 -13.4107 0.0000 C 0 0 12.8004 -14.2177 0.0000 C 0 0 12.1873 -14.7697 0.0000 N 0 0 10.3922 -10.6407 0.0000 C 0 0 3.0599 -14.9007 0.0000 O 0 0 2.3454 -14.4882 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 13 18 2 0 12 13 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 19 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 2 0 22 26 1 0 19 30 1 0 16 23 1 0 11 12 1 0 2 11 1 0 31 32 1 0 7 31 1 0 M END > CHEMBL3222276 > 1 $$$$ CHEMBL3222274 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 9.5569 -18.0418 0.0000 C 0 0 9.5558 -18.8692 0.0000 C 0 0 10.2706 -19.2821 0.0000 C 0 0 10.2689 -17.6290 0.0000 C 0 0 10.9843 -18.0382 0.0000 C 0 0 10.9850 -18.8650 0.0000 C 0 0 11.7004 -19.2759 0.0000 C 0 0 12.4153 -18.8612 0.0000 C 0 0 12.4106 -18.0312 0.0000 C 0 0 11.6947 -17.6240 0.0000 N 0 0 13.1225 -17.6144 0.0000 C 0 0 13.8395 -18.0225 0.0000 O 0 0 14.5515 -17.6057 0.0000 C 0 0 15.2661 -18.0173 0.0000 C 0 0 15.9777 -17.6012 0.0000 C 0 0 15.9730 -16.7752 0.0000 C 0 0 15.2511 -16.3673 0.0000 C 0 0 14.5426 -16.7858 0.0000 C 0 0 16.6849 -16.3573 0.0000 C 0 0 17.4767 -16.5849 0.0000 N 0 0 17.9414 -15.9033 0.0000 N 0 0 17.4366 -15.2506 0.0000 C 0 0 16.6600 -15.5291 0.0000 C 0 0 15.9425 -15.1223 0.0000 C 0 0 15.9377 -14.2980 0.0000 C 0 0 15.2207 -13.8913 0.0000 C 0 0 14.5087 -14.3097 0.0000 N 0 0 14.5179 -15.1388 0.0000 C 0 0 15.2354 -15.5418 0.0000 C 0 0 11.7021 -20.1009 0.0000 O 0 0 10.9884 -20.5150 0.0000 C 0 0 17.7566 -17.3610 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 19 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 7 30 1 0 30 31 1 0 20 32 1 0 M END > CHEMBL3222274 > 0 $$$$ CHEMBL3222273 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 5.2345 -12.6850 0.0000 N 0 0 5.9490 -13.0975 0.0000 C 0 0 5.9490 -13.9225 0.0000 C 0 0 5.2345 -14.3350 0.0000 C 0 0 4.5200 -13.9225 0.0000 C 0 0 3.8056 -14.3350 0.0000 C 0 0 3.0911 -13.9225 0.0000 C 0 0 3.0911 -13.0975 0.0000 C 0 0 3.8056 -12.6850 0.0000 C 0 0 4.5200 -13.0975 0.0000 C 0 0 6.6634 -12.6850 0.0000 C 0 0 7.3779 -13.0975 0.0000 O 0 0 8.0924 -12.6850 0.0000 C 0 0 8.0924 -11.8600 0.0000 C 0 0 8.8069 -11.4475 0.0000 C 0 0 9.5213 -11.8600 0.0000 C 0 0 9.5213 -12.6850 0.0000 C 0 0 8.8069 -13.0975 0.0000 C 0 0 10.3220 -10.6270 0.0000 N 0 0 11.1290 -10.4555 0.0000 N 0 0 11.5415 -11.1699 0.0000 C 0 0 10.9895 -11.7830 0.0000 C 0 0 10.2358 -11.4475 0.0000 C 0 0 10.7194 -13.9490 0.0000 C 0 0 10.5479 -13.1420 0.0000 C 0 0 11.1610 -12.5900 0.0000 C 0 0 11.9456 -12.8449 0.0000 C 0 0 12.1171 -13.6519 0.0000 C 0 0 11.5041 -14.2039 0.0000 N 0 0 9.7089 -10.0749 0.0000 C 0 0 6.6634 -14.3350 0.0000 O 0 0 6.6634 -15.1600 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 13 18 2 0 12 13 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 19 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 2 0 22 26 1 0 19 30 1 0 16 23 1 0 11 12 1 0 2 11 1 0 31 32 1 0 3 31 1 0 M END > CHEMBL3222273 > 0 $$$$ CHEMBL3218039 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 9.5571 -18.0420 0.0000 C 0 0 9.5559 -18.8694 0.0000 C 0 0 10.2707 -19.2823 0.0000 C 0 0 10.2690 -17.6292 0.0000 C 0 0 10.9844 -18.0384 0.0000 C 0 0 10.9851 -18.8652 0.0000 C 0 0 11.7005 -19.2761 0.0000 C 0 0 12.4155 -18.8614 0.0000 C 0 0 12.4107 -18.0314 0.0000 C 0 0 11.6948 -17.6242 0.0000 N 0 0 13.1227 -17.6146 0.0000 C 0 0 13.8397 -18.0228 0.0000 O 0 0 14.5516 -17.6059 0.0000 C 0 0 15.2663 -18.0175 0.0000 C 0 0 15.9779 -17.6014 0.0000 C 0 0 15.9732 -16.7754 0.0000 C 0 0 15.2513 -16.3675 0.0000 C 0 0 14.5427 -16.7860 0.0000 C 0 0 16.6851 -16.3575 0.0000 C 0 0 17.4769 -16.5851 0.0000 N 0 0 17.9416 -15.9034 0.0000 N 0 0 17.4368 -15.2508 0.0000 C 0 0 16.6602 -15.5293 0.0000 C 0 0 18.7662 -15.8787 0.0000 C 0 0 15.9427 -15.1224 0.0000 C 0 0 15.9379 -14.2981 0.0000 C 0 0 15.2209 -13.8915 0.0000 C 0 0 14.5088 -14.3098 0.0000 N 0 0 14.5181 -15.1390 0.0000 C 0 0 15.2356 -15.5420 0.0000 C 0 0 8.8412 -19.2813 0.0000 O 0 0 8.1270 -18.8683 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 19 1 0 21 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 2 31 1 0 31 32 1 0 M END > CHEMBL3218039 > 0 $$$$ CHEMBL3218037 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 9.5569 -18.0418 0.0000 C 0 0 9.5558 -18.8692 0.0000 C 0 0 10.2706 -19.2821 0.0000 C 0 0 10.2689 -17.6290 0.0000 C 0 0 10.9843 -18.0382 0.0000 C 0 0 10.9850 -18.8650 0.0000 C 0 0 11.7004 -19.2759 0.0000 C 0 0 12.4153 -18.8612 0.0000 C 0 0 12.4106 -18.0312 0.0000 C 0 0 11.6947 -17.6240 0.0000 N 0 0 13.1225 -17.6144 0.0000 C 0 0 13.8395 -18.0225 0.0000 O 0 0 14.5515 -17.6057 0.0000 C 0 0 15.2661 -18.0173 0.0000 C 0 0 15.9777 -17.6012 0.0000 C 0 0 15.9730 -16.7752 0.0000 C 0 0 15.2511 -16.3673 0.0000 C 0 0 14.5426 -16.7858 0.0000 C 0 0 16.6849 -16.3573 0.0000 C 0 0 17.4767 -16.5849 0.0000 N 0 0 17.9414 -15.9033 0.0000 N 0 0 17.4366 -15.2506 0.0000 C 0 0 16.6600 -15.5291 0.0000 C 0 0 18.7660 -15.8785 0.0000 C 0 0 15.9425 -15.1223 0.0000 C 0 0 15.9377 -14.2980 0.0000 C 0 0 15.2207 -13.8913 0.0000 C 0 0 14.5087 -14.3097 0.0000 N 0 0 14.5179 -15.1388 0.0000 C 0 0 15.2354 -15.5418 0.0000 C 0 0 11.7021 -20.1009 0.0000 O 0 0 10.9884 -20.5150 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 19 1 0 21 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 7 31 1 0 31 32 1 0 M END > CHEMBL3218037 > 0 $$$$ CHEMBL3218036 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 9.5570 -18.0420 0.0000 C 0 0 9.5559 -18.8693 0.0000 C 0 0 10.2707 -19.2822 0.0000 C 0 0 10.2690 -17.6291 0.0000 C 0 0 10.9843 -18.0383 0.0000 C 0 0 10.9850 -18.8652 0.0000 C 0 0 11.7004 -19.2761 0.0000 C 0 0 12.4154 -18.8613 0.0000 C 0 0 12.4107 -18.0314 0.0000 C 0 0 11.6948 -17.6241 0.0000 N 0 0 13.1226 -17.6145 0.0000 C 0 0 13.8396 -18.0227 0.0000 O 0 0 14.5516 -17.6058 0.0000 C 0 0 15.2662 -18.0174 0.0000 C 0 0 15.9778 -17.6013 0.0000 C 0 0 15.9731 -16.7753 0.0000 C 0 0 15.2512 -16.3674 0.0000 C 0 0 14.5427 -16.7859 0.0000 C 0 0 16.6850 -16.3574 0.0000 C 0 0 17.4768 -16.5850 0.0000 N 0 0 17.9415 -15.9034 0.0000 N 0 0 17.4367 -15.2507 0.0000 C 0 0 16.6602 -15.5292 0.0000 C 0 0 18.7661 -15.8786 0.0000 C 0 0 15.9427 -15.1224 0.0000 C 0 0 15.9378 -14.2981 0.0000 C 0 0 15.2208 -13.8914 0.0000 C 0 0 14.5088 -14.3098 0.0000 N 0 0 14.5180 -15.1389 0.0000 C 0 0 15.2355 -15.5420 0.0000 C 0 0 13.1315 -19.2711 0.0000 O 0 0 13.1347 -20.0960 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 16 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 19 1 0 21 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 8 31 1 0 31 32 1 0 M END > CHEMBL3218036 > 0 $$$$ CHEMBL3262027 SciTegic12291823182D 27 30 0 0 0 0 999 V2000 3.2508 -6.2568 0.0000 N 0 0 3.2497 -7.0764 0.0000 C 0 0 3.9577 -7.4853 0.0000 C 0 0 3.9559 -5.8480 0.0000 C 0 0 4.6646 -6.2532 0.0000 C 0 0 4.6694 -7.0764 0.0000 N 0 0 5.4538 -7.3262 0.0000 C 0 0 5.9338 -6.6574 0.0000 C 0 0 5.4460 -5.9943 0.0000 N 0 0 5.7108 -8.1019 0.0000 C 0 0 3.9535 -5.0308 0.0000 N 0 0 4.6580 -4.6230 0.0000 C 0 0 4.6575 -3.8094 0.0000 C 0 0 3.9504 -3.3991 0.0000 O 0 0 3.2421 -3.8086 0.0000 C 0 0 3.2409 -4.6284 0.0000 C 0 0 5.1659 -8.7121 0.0000 C 0 0 5.4223 -9.4872 0.0000 C 0 0 6.2234 -9.6530 0.0000 C 0 0 6.7675 -9.0376 0.0000 C 0 0 6.5082 -8.2649 0.0000 C 0 0 7.5684 -9.2001 0.0000 O 0 0 7.8282 -9.9749 0.0000 C 0 0 6.4815 -10.4284 0.0000 O 0 0 5.9390 -11.0396 0.0000 C 0 0 4.8788 -10.0974 0.0000 O 0 0 4.0786 -9.9317 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 5 2 0 7 10 1 0 4 11 1 0 11 12 1 0 11 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 10 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 10 1 0 20 22 1 0 22 23 1 0 19 24 1 0 24 25 1 0 18 26 1 0 26 27 1 0 M END > CHEMBL3262027 > 1 $$$$ CHEMBL3262029 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 12.8452 -6.2288 0.0000 C 0 0 12.1365 -5.8211 0.0000 C 0 0 12.8464 -7.0463 0.0000 N 0 0 11.4292 -6.2309 0.0000 N 0 0 11.4304 -7.0485 0.0000 C 0 0 12.1390 -7.4562 0.0000 C 0 0 13.6223 -5.9749 0.0000 N 0 0 14.1039 -6.6356 0.0000 C 0 0 13.6243 -7.2977 0.0000 C 0 0 12.1353 -5.0035 0.0000 N 0 0 11.4266 -4.5958 0.0000 C 0 0 11.4254 -3.7783 0.0000 C 0 0 12.1328 -3.3685 0.0000 O 0 0 12.8414 -3.7761 0.0000 C 0 0 12.8427 -4.5937 0.0000 C 0 0 14.6573 -9.1439 0.0000 N 0 0 13.8802 -9.3977 0.0000 N 0 0 13.3987 -8.7370 0.0000 C 0 0 13.8782 -8.0749 0.0000 C 0 0 14.6561 -8.3263 0.0000 C 0 0 15.3128 -9.6178 0.0000 C 0 0 16.0616 -9.2864 0.0000 C 0 0 16.7201 -9.7644 0.0000 O 0 0 17.4689 -9.4330 0.0000 C 0 0 1 2 1 0 1 3 1 0 2 4 2 0 4 5 1 0 5 6 2 0 3 6 1 0 7 8 1 0 8 9 2 0 3 9 1 0 1 7 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 10 15 1 0 2 10 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 16 20 1 0 21 22 1 0 23 24 1 0 22 23 1 0 16 21 1 0 9 19 1 0 M END > CHEMBL3262029 > 1 $$$$ CHEMBL3262291 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 14.2738 -17.7925 0.0000 C 0 0 14.7540 -18.4653 0.0000 C 0 0 15.5748 -18.3850 0.0000 C 0 0 14.6121 -17.0433 0.0000 C 0 0 15.4315 -16.9591 0.0000 C 0 0 15.9123 -17.6327 0.0000 C 0 0 15.9234 -16.2937 0.0000 N 0 0 16.7084 -16.5558 0.0000 C 0 0 16.6975 -17.3795 0.0000 C 0 0 17.4043 -17.7990 0.0000 C 0 0 18.1225 -17.3958 0.0000 C 0 0 18.1295 -16.5690 0.0000 C 0 0 17.4220 -16.1533 0.0000 N 0 0 15.6752 -15.5078 0.0000 C 0 0 18.8320 -17.8153 0.0000 C 0 0 19.5499 -17.4106 0.0000 C 0 0 20.2595 -17.8299 0.0000 O 0 0 20.9775 -17.4252 0.0000 C 0 0 21.6849 -17.8491 0.0000 N 0 0 22.4023 -17.4450 0.0000 C 0 0 22.4112 -16.6199 0.0000 C 0 0 21.6967 -16.2007 0.0000 N 0 0 20.9821 -16.6071 0.0000 C 0 0 20.2641 -16.1868 0.0000 C 0 0 20.2691 -15.3547 0.0000 C 0 0 19.5510 -14.9343 0.0000 C 0 0 18.8279 -15.3459 0.0000 C 0 0 18.8229 -16.1780 0.0000 C 0 0 19.5410 -16.5984 0.0000 C 0 0 18.1099 -14.9256 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 9 1 0 8 7 1 0 7 5 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 7 14 1 0 11 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 23 24 1 0 24 25 1 0 24 29 2 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 27 30 1 0 M END > CHEMBL3262291 > 0 $$$$ CHEMBL3262293 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 14.2792 -17.7992 0.0000 C 0 0 14.7596 -18.4723 0.0000 C 0 0 15.5807 -18.3920 0.0000 C 0 0 14.6176 -17.0498 0.0000 C 0 0 15.4373 -16.9656 0.0000 C 0 0 15.9184 -17.6394 0.0000 C 0 0 15.9295 -16.2999 0.0000 N 0 0 16.7147 -16.5621 0.0000 C 0 0 16.7038 -17.3861 0.0000 C 0 0 17.4109 -17.8057 0.0000 C 0 0 18.1294 -17.4024 0.0000 C 0 0 18.1363 -16.5753 0.0000 C 0 0 17.4286 -16.1594 0.0000 N 0 0 15.6812 -15.5137 0.0000 C 0 0 18.8392 -17.8221 0.0000 C 0 0 19.5573 -17.4172 0.0000 C 0 0 20.2671 -17.8367 0.0000 O 0 0 20.9854 -17.4318 0.0000 C 0 0 21.6931 -17.8559 0.0000 N 0 0 22.4107 -17.4516 0.0000 C 0 0 22.4197 -16.6262 0.0000 C 0 0 21.7049 -16.2068 0.0000 N 0 0 20.9900 -16.6134 0.0000 C 0 0 20.2718 -16.1929 0.0000 C 0 0 20.2768 -15.3605 0.0000 C 0 0 19.5584 -14.9400 0.0000 C 0 0 18.8350 -15.3517 0.0000 N 0 0 18.8300 -16.1841 0.0000 C 0 0 19.5484 -16.6047 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 9 1 0 8 7 1 0 7 5 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 7 14 1 0 11 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 23 24 1 0 24 25 1 0 24 29 2 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > CHEMBL3262293 > 0 $$$$ CHEMBL3262297 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 14.2792 -17.7992 0.0000 C 0 0 14.7596 -18.4723 0.0000 C 0 0 15.5807 -18.3920 0.0000 C 0 0 14.6176 -17.0498 0.0000 C 0 0 15.4373 -16.9656 0.0000 C 0 0 15.9184 -17.6394 0.0000 C 0 0 15.9295 -16.2999 0.0000 N 0 0 16.7147 -16.5621 0.0000 C 0 0 16.7038 -17.3861 0.0000 C 0 0 17.4109 -17.8057 0.0000 C 0 0 18.1294 -17.4024 0.0000 C 0 0 18.1363 -16.5753 0.0000 C 0 0 17.4286 -16.1594 0.0000 N 0 0 15.6812 -15.5137 0.0000 C 0 0 18.8392 -17.8221 0.0000 C 0 0 19.5573 -17.4172 0.0000 C 0 0 20.2671 -17.8367 0.0000 O 0 0 20.9854 -17.4318 0.0000 C 0 0 21.6931 -17.8559 0.0000 N 0 0 22.4107 -17.4516 0.0000 C 0 0 22.4197 -16.6262 0.0000 C 0 0 21.7049 -16.2068 0.0000 C 0 0 20.9900 -16.6134 0.0000 C 0 0 20.2718 -16.1929 0.0000 C 0 0 20.2768 -15.3605 0.0000 C 0 0 19.5584 -14.9400 0.0000 C 0 0 18.8350 -15.3517 0.0000 N 0 0 18.8300 -16.1841 0.0000 C 0 0 19.5484 -16.6047 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 9 1 0 8 7 1 0 7 5 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 7 14 1 0 11 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 23 24 1 0 24 25 1 0 24 29 2 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > CHEMBL3262297 > 0 $$$$ CHEMBL3262298 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 14.2792 -17.7992 0.0000 C 0 0 14.7596 -18.4723 0.0000 C 0 0 15.5807 -18.3920 0.0000 C 0 0 14.6176 -17.0498 0.0000 C 0 0 15.4373 -16.9656 0.0000 C 0 0 15.9184 -17.6394 0.0000 C 0 0 15.9295 -16.2999 0.0000 N 0 0 16.7147 -16.5621 0.0000 C 0 0 16.7038 -17.3861 0.0000 C 0 0 17.4109 -17.8057 0.0000 C 0 0 18.1294 -17.4024 0.0000 C 0 0 18.1363 -16.5753 0.0000 C 0 0 17.4286 -16.1594 0.0000 N 0 0 15.6812 -15.5137 0.0000 C 0 0 18.8392 -17.8221 0.0000 C 0 0 19.5573 -17.4172 0.0000 C 0 0 20.2671 -17.8367 0.0000 O 0 0 20.9854 -17.4318 0.0000 C 0 0 21.6931 -17.8559 0.0000 N 0 0 22.4107 -17.4516 0.0000 C 0 0 22.4197 -16.6262 0.0000 C 0 0 21.7049 -16.2068 0.0000 C 0 0 20.9900 -16.6134 0.0000 C 0 0 20.2718 -16.1929 0.0000 C 0 0 20.2768 -15.3605 0.0000 C 0 0 19.5584 -14.9400 0.0000 N 0 0 18.8350 -15.3517 0.0000 C 0 0 18.8300 -16.1841 0.0000 N 0 0 19.5484 -16.6047 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 9 1 0 8 7 1 0 7 5 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 7 14 1 0 11 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 23 24 1 0 24 25 1 0 24 29 2 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 M END > CHEMBL3262298 > 0 $$$$ CHEMBL3262303 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 14.5421 -16.9869 0.0000 C 0 0 9.9796 -16.9642 0.0000 C 0 0 10.4601 -17.6376 0.0000 C 0 0 11.2817 -17.5573 0.0000 C 0 0 10.3181 -16.2142 0.0000 C 0 0 11.1382 -16.1300 0.0000 C 0 0 11.6197 -16.8041 0.0000 C 0 0 11.6308 -15.4639 0.0000 N 0 0 12.4165 -15.7262 0.0000 C 0 0 12.4056 -16.5508 0.0000 C 0 0 13.1131 -16.9706 0.0000 C 0 0 13.8319 -16.5671 0.0000 C 0 0 13.8389 -15.7394 0.0000 C 0 0 13.1308 -15.3232 0.0000 N 0 0 11.3822 -14.6772 0.0000 C 0 0 15.2608 -16.5817 0.0000 C 0 0 15.9711 -17.0016 0.0000 O 0 0 16.6897 -16.5964 0.0000 C 0 0 17.3978 -17.0207 0.0000 N 0 0 18.1160 -16.6163 0.0000 C 0 0 18.1248 -15.7905 0.0000 C 0 0 17.4097 -15.3708 0.0000 C 0 0 16.6944 -15.7776 0.0000 C 0 0 15.9825 -15.3608 0.0000 C 0 0 15.9893 -14.5372 0.0000 C 0 0 15.2782 -14.1204 0.0000 N 0 0 14.5602 -14.5287 0.0000 C 0 0 14.5579 -15.3580 0.0000 N 0 0 15.2696 -15.7710 0.0000 C 0 0 10.5690 -14.4973 0.0000 F 0 0 11.9447 -14.0628 0.0000 F 0 0 2 3 2 0 3 4 1 0 4 7 2 0 6 5 2 0 5 2 1 0 6 7 1 0 7 10 1 0 9 8 1 0 8 6 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 8 15 1 0 12 1 1 0 1 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 15 30 1 0 15 31 1 0 M END > CHEMBL3262303 > 0 $$$$ CHEMBL3359093 SciTegic12291823182D 21 22 0 0 0 0 999 V2000 4.1795 -4.5193 0.0000 C 0 0 4.1783 -5.3388 0.0000 C 0 0 4.8864 -5.7478 0.0000 C 0 0 5.5960 -5.3383 0.0000 C 0 0 5.5932 -4.5157 0.0000 C 0 0 4.8846 -4.1104 0.0000 C 0 0 4.8806 -3.2875 0.0000 N 0 3 4.1717 -2.8810 0.0000 O 0 0 5.5871 -2.8768 0.0000 O 0 5 4.8862 -6.5650 0.0000 Cl 0 0 6.2994 -4.1044 0.0000 S 0 0 7.0086 -4.5103 0.0000 C 0 0 7.0084 -5.3252 0.0000 C 0 0 7.7168 -5.7311 0.0000 C 0 0 8.4239 -5.3197 0.0000 C 0 0 8.4182 -4.4983 0.0000 C 0 0 7.7092 -4.0962 0.0000 C 0 0 7.7019 -3.2790 0.0000 N 0 0 8.4059 -2.8641 0.0000 C 0 0 8.3986 -2.0469 0.0000 O 0 0 9.1172 -3.2663 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 7 9 1 0 6 7 1 0 3 10 1 0 5 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M CHG 2 7 1 9 -1 M END > CHEMBL3359093 > 0 $$$$ CHEMBL3359101 SciTegic12291823182D 18 19 0 0 0 0 999 V2000 10.9395 -8.7611 0.0000 N 0 0 10.2318 -9.1697 0.0000 C 0 0 10.2318 -9.9869 0.0000 C 0 0 9.5241 -10.3955 0.0000 C 0 0 8.8164 -9.9869 0.0000 C 0 0 8.8164 -9.1697 0.0000 C 0 0 9.5241 -8.7611 0.0000 C 0 0 8.1087 -10.3955 0.0000 S 0 0 7.4009 -9.9869 0.0000 C 0 0 6.6932 -10.3955 0.0000 C 0 0 5.9855 -9.9869 0.0000 C 0 0 5.9855 -9.1697 0.0000 C 0 0 6.6932 -8.7611 0.0000 C 0 0 7.4010 -9.1697 0.0000 C 0 0 5.2778 -8.7611 0.0000 N 0 3 5.2778 -7.9439 0.0000 O 0 0 4.5701 -9.1697 0.0000 O 0 5 5.2778 -10.3955 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 2 7 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 2 0 8 9 1 0 15 16 2 0 15 17 1 0 12 15 1 0 11 18 1 0 5 8 1 0 M CHG 2 15 1 17 -1 M END > CHEMBL3359101 > 0 $$$$ CHEMBL3359103 SciTegic12291823182D 18 19 0 0 0 0 999 V2000 8.0298 -9.7805 0.0000 S 0 0 7.3221 -9.3719 0.0000 C 0 0 6.6144 -9.7805 0.0000 C 0 0 5.9067 -9.3719 0.0000 C 0 0 5.9067 -8.5547 0.0000 C 0 0 6.6144 -8.1461 0.0000 C 0 0 7.3221 -8.5547 0.0000 C 0 0 6.6144 -10.5977 0.0000 N 0 3 7.3221 -11.0063 0.0000 O 0 0 5.9067 -11.0063 0.0000 O 0 5 6.6144 -7.3289 0.0000 Cl 0 0 8.7375 -9.3719 0.0000 C 0 0 8.7375 -8.5547 0.0000 C 0 0 9.4452 -8.1461 0.0000 C 0 0 10.1529 -8.5547 0.0000 C 0 0 10.1529 -9.3719 0.0000 C 0 0 9.4452 -9.7805 0.0000 C 0 0 8.0298 -8.1461 0.0000 Br 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 2 7 2 0 8 9 2 0 8 10 1 0 3 8 1 0 6 11 1 0 1 2 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 12 17 2 0 13 18 1 0 1 12 1 0 M CHG 2 8 1 10 -1 M END > CHEMBL3359103 > 0 $$$$ CHEMBL3359111 SciTegic12291823182D 18 19 0 0 0 0 999 V2000 7.6016 -9.0897 0.0000 S 0 0 8.3093 -9.4983 0.0000 C 0 0 9.0171 -9.0897 0.0000 C 0 0 9.7248 -9.4983 0.0000 C 0 0 9.7248 -10.3155 0.0000 C 0 0 9.0171 -10.7241 0.0000 C 0 0 8.3093 -10.3155 0.0000 C 0 0 9.0171 -8.2725 0.0000 N 0 3 8.3093 -7.8639 0.0000 O 0 0 9.7248 -7.8639 0.0000 O 0 5 10.4325 -10.7241 0.0000 Cl 0 0 6.8939 -9.4983 0.0000 C 0 0 6.8939 -10.3155 0.0000 C 0 0 6.1862 -10.7241 0.0000 C 0 0 5.4785 -10.3155 0.0000 C 0 0 5.4785 -9.4983 0.0000 C 0 0 6.1862 -9.0897 0.0000 C 0 0 7.6016 -10.7241 0.0000 Br 0 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 2 7 2 0 8 9 2 0 8 10 1 0 3 8 1 0 5 11 1 0 1 2 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 12 17 2 0 13 18 1 0 1 12 1 0 M CHG 2 8 1 10 -1 M END > CHEMBL3359111 > 0 $$$$ CHEMBL3359624 SciTegic12291823182D 18 19 0 0 0 0 999 V2000 5.3996 -10.6575 0.0000 N 0 0 6.1073 -10.2489 0.0000 C 0 0 6.1073 -9.4317 0.0000 C 0 0 6.8151 -9.0232 0.0000 C 0 0 7.5228 -9.4317 0.0000 C 0 0 7.5228 -10.2489 0.0000 C 0 0 6.8150 -10.6575 0.0000 C 0 0 8.2305 -9.0232 0.0000 S 0 0 8.9382 -9.4317 0.0000 C 0 0 9.6459 -9.0232 0.0000 C 0 0 10.3536 -9.4317 0.0000 C 0 0 10.3536 -10.2489 0.0000 C 0 0 9.6459 -10.6575 0.0000 C 0 0 8.9382 -10.2489 0.0000 C 0 0 9.6459 -8.2060 0.0000 N 0 3 10.3536 -7.7974 0.0000 O 0 0 8.9382 -7.7974 0.0000 O 0 5 11.0613 -10.6575 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 2 7 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 2 0 8 9 1 0 15 16 2 0 15 17 1 0 10 15 1 0 12 18 1 0 5 8 1 0 M CHG 2 15 1 17 -1 M END > CHEMBL3359624 > 0 $$$$ CHEMBL196910 SciTegic12291823182D 17 18 0 0 0 0 999 V2000 -1.6240 -17.2879 0.0000 C 0 0 -1.6253 -18.1155 0.0000 C 0 0 -0.9123 -18.5284 0.0000 C 0 0 -0.1930 -18.1149 0.0000 C 0 0 -0.1962 -17.2839 0.0000 C 0 0 -0.9143 -16.8752 0.0000 C 0 0 0.5162 -16.8679 0.0000 S 0 0 1.2327 -17.2769 0.0000 C 0 0 1.2342 -18.1005 0.0000 C 0 0 1.9498 -18.5094 0.0000 C 0 0 2.6633 -18.0933 0.0000 C 0 0 2.6564 -17.2641 0.0000 C 0 0 1.9402 -16.8589 0.0000 C 0 0 -2.3403 -18.5270 0.0000 Cl 0 0 -0.9187 -16.0449 0.0000 N 0 3 -1.6351 -15.6358 0.0000 O 0 0 -0.2062 -15.6291 0.0000 O 0 5 8 9 2 0 4 5 1 0 9 10 1 0 2 3 1 0 10 11 2 0 5 6 2 0 11 12 1 0 6 1 1 0 12 13 2 0 13 8 1 0 1 2 2 0 2 14 1 0 5 7 1 0 3 4 2 0 7 8 1 0 15 16 2 0 15 17 1 0 6 15 1 0 M CHG 2 15 1 17 -1 M END > CHEMBL196910 > 0 $$$$ CHEMBL3359632 SciTegic12291823182D 17 18 0 0 0 0 999 V2000 6.4580 -8.7611 0.0000 C 0 0 6.4580 -9.5783 0.0000 C 0 0 5.7503 -9.9869 0.0000 C 0 0 5.0426 -9.5783 0.0000 C 0 0 5.0426 -8.7611 0.0000 C 0 0 5.7503 -8.3525 0.0000 N 0 0 7.1658 -8.3525 0.0000 S 0 0 7.8735 -8.7611 0.0000 C 0 0 8.5812 -8.3525 0.0000 C 0 0 9.2889 -8.7611 0.0000 C 0 0 9.2889 -9.5783 0.0000 C 0 0 8.5812 -9.9869 0.0000 C 0 0 7.8735 -9.5783 0.0000 C 0 0 9.9966 -9.9869 0.0000 N 0 3 9.9966 -10.8041 0.0000 O 0 0 10.7043 -9.5783 0.0000 O 0 5 8.5812 -7.5353 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 14 15 2 0 14 16 1 0 11 14 1 0 9 17 1 0 7 8 1 0 1 7 1 0 M CHG 2 14 1 16 -1 M END > CHEMBL3359632 > 0 $$$$ CHEMBL3359633 SciTegic12291823182D 17 18 0 0 0 0 999 V2000 5.0460 -8.7611 0.0000 C 0 0 5.7537 -8.3525 0.0000 C 0 0 6.4614 -8.7611 0.0000 C 0 0 6.4614 -9.5783 0.0000 C 0 0 5.7537 -9.9869 0.0000 C 0 0 5.0460 -9.5783 0.0000 N 0 0 7.1691 -8.3525 0.0000 S 0 0 7.8768 -8.7611 0.0000 C 0 0 8.5845 -8.3525 0.0000 C 0 0 9.2922 -8.7611 0.0000 C 0 0 9.2922 -9.5783 0.0000 C 0 0 8.5845 -9.9869 0.0000 C 0 0 7.8768 -9.5783 0.0000 C 0 0 9.9999 -9.9869 0.0000 N 0 3 9.9999 -10.8041 0.0000 O 0 0 10.7077 -9.5783 0.0000 O 0 5 8.5845 -7.5353 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 14 15 2 0 14 16 1 0 11 14 1 0 9 17 1 0 7 8 1 0 3 7 1 0 M CHG 2 14 1 16 -1 M END > CHEMBL3359633 > 0 $$$$ CHEMBL3359635 SciTegic12291823182D 17 18 0 0 0 0 999 V2000 5.4860 -9.4988 0.0000 C 0 0 6.1937 -9.0902 0.0000 C 0 0 6.9014 -9.4988 0.0000 C 0 0 6.9014 -10.3160 0.0000 C 0 0 6.1937 -10.7246 0.0000 C 0 0 5.4860 -10.3160 0.0000 N 0 0 7.6091 -9.0902 0.0000 S 0 0 8.3168 -9.4988 0.0000 C 0 0 9.0245 -9.0902 0.0000 C 0 0 9.7322 -9.4988 0.0000 C 0 0 9.7322 -10.3160 0.0000 C 0 0 9.0245 -10.7246 0.0000 C 0 0 8.3168 -10.3160 0.0000 C 0 0 9.0245 -8.2730 0.0000 N 0 3 9.7322 -7.8644 0.0000 O 0 0 8.3168 -7.8644 0.0000 O 0 5 10.4400 -10.7246 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 14 15 2 0 14 16 1 0 9 14 1 0 11 17 1 0 7 8 1 0 3 7 1 0 M CHG 2 14 1 16 -1 M END > CHEMBL3359635 > 0 $$$$ CHEMBL484928 SciTegic12291823182D 16 16 0 0 0 0 999 V2000 5.9017 -2.0353 0.0000 C 0 0 5.4897 -2.7502 0.0000 C 0 0 4.6659 -2.7502 0.0000 C 0 0 4.2540 -2.0353 0.0000 C 0 0 4.6659 -1.3205 0.0000 C 0 0 5.4897 -1.3205 0.0000 C 0 0 6.7255 -2.0353 0.0000 S 0 0 6.7255 -2.8591 0.0000 O 0 0 6.7255 -1.2114 0.0000 O 0 0 7.5494 -2.0353 0.0000 N 0 0 4.2540 -0.6097 0.0000 N 0 3 4.6659 0.1052 0.0000 O 0 0 3.4301 -0.6097 0.0000 O 0 5 5.9017 -3.4651 0.0000 C 0 0 7.9613 -2.7502 0.0000 C 0 0 7.9613 -1.3205 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 2 0 7 8 2 0 7 9 2 0 7 10 1 0 1 7 1 0 11 12 2 0 11 13 1 0 5 11 1 0 2 14 1 0 10 15 1 0 10 16 1 0 M CHG 2 11 1 13 -1 M END > CHEMBL484928 > 0 $$$$ CHEMBL2180767 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 19.1314 -19.8533 0.0000 N 0 0 19.1302 -20.6803 0.0000 C 0 0 19.8448 -21.0930 0.0000 C 0 0 20.5608 -20.6798 0.0000 N 0 0 20.5580 -19.8497 0.0000 C 0 0 19.8429 -19.4407 0.0000 C 0 0 21.2706 -19.4347 0.0000 O 0 0 21.9862 -19.8442 0.0000 C 0 0 22.2127 -20.6347 0.0000 C 0 0 22.7979 -19.6322 0.0000 C 0 0 23.0158 -20.4124 0.0000 N 0 0 23.7334 -20.8154 0.0000 C 0 0 23.7399 -21.6410 0.0000 C 0 0 24.4571 -22.0465 0.0000 C 0 0 24.4400 -20.3968 0.0000 N 0 0 25.1577 -20.7984 0.0000 C 0 0 25.1650 -21.6257 0.0000 C 0 0 25.8838 -22.0312 0.0000 C 0 0 26.5959 -21.6108 0.0000 C 0 0 26.5847 -20.7805 0.0000 C 0 0 25.8653 -20.3787 0.0000 C 0 0 19.8389 -18.6218 0.0000 N 0 0 20.5536 -18.2086 0.0000 C 0 0 20.5531 -17.3876 0.0000 C 0 0 19.8396 -16.9735 0.0000 C 0 0 19.1249 -17.3867 0.0000 C 0 0 19.1237 -18.2140 0.0000 C 0 0 19.8402 -16.1490 0.0000 C 0 0 20.5547 -15.7372 0.0000 O 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 9 11 1 0 10 11 1 0 12 13 2 0 13 14 1 0 14 17 2 0 16 15 2 0 15 12 1 0 11 12 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 22 23 1 0 22 27 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 6 22 1 0 25 28 1 0 28 29 1 0 M END > CHEMBL2180767 > 0 $$$$ CHEMBL3356649 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 7.1000 -4.1616 0.0000 C 0 0 6.2787 -4.1616 0.0000 O 0 0 8.3341 -6.2971 0.0000 N 0 0 7.5128 -6.2971 0.0000 C 0 0 7.1000 -5.5853 0.0000 C 0 0 7.5128 -4.8734 0.0000 C 0 0 8.3341 -4.8734 0.0000 C 0 0 8.7427 -5.5853 0.0000 C 0 0 8.7427 -7.0090 0.0000 C 0 0 9.5640 -7.0090 0.0000 C 0 0 8.3341 -7.7208 0.0000 N 0 0 9.9767 -7.7208 0.0000 N 0 0 9.5640 -8.4326 0.0000 C 0 0 8.7427 -8.4326 0.0000 C 0 0 9.9767 -6.2971 0.0000 O 0 0 12.4407 -6.2971 0.0000 N 0 0 12.0279 -7.0090 0.0000 C 0 0 11.2066 -7.0090 0.0000 C 0 0 10.7980 -6.2971 0.0000 C 0 0 11.2066 -5.5853 0.0000 C 0 0 12.0279 -5.5853 0.0000 C 0 0 13.6706 -7.0090 0.0000 N 0 0 13.2620 -6.2971 0.0000 C 0 0 13.6706 -5.5853 0.0000 C 0 0 14.4919 -5.5853 0.0000 C 0 0 14.9046 -6.2971 0.0000 C 0 0 15.7259 -6.2971 0.0000 C 0 0 16.1345 -7.0090 0.0000 C 0 0 15.7259 -7.7208 0.0000 C 0 0 14.9046 -7.7208 0.0000 C 0 0 14.4919 -7.0090 0.0000 C 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 3 8 1 0 9 10 1 0 9 11 2 0 10 12 2 0 12 13 1 0 13 14 2 0 11 14 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 16 21 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 22 31 1 0 26 31 1 0 16 23 1 0 15 19 1 0 10 15 1 0 3 9 1 0 1 6 1 0 M END > CHEMBL3356649 > 0 $$$$ CHEMBL3356651 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 7.3435 -4.0930 0.0000 C 0 0 6.5181 -4.0930 0.0000 O 0 0 8.5734 -6.2285 0.0000 N 0 0 7.7521 -6.2285 0.0000 C 0 0 7.3435 -5.5167 0.0000 C 0 0 7.7521 -4.8048 0.0000 C 0 0 8.5734 -4.8048 0.0000 C 0 0 8.9862 -5.5167 0.0000 C 0 0 8.5734 -7.6522 0.0000 C 0 0 8.9862 -6.9403 0.0000 C 0 0 9.8075 -6.9403 0.0000 C 0 0 10.2161 -7.6522 0.0000 C 0 0 9.8075 -8.3640 0.0000 C 0 0 8.9862 -8.3640 0.0000 N 0 0 10.2161 -6.2285 0.0000 O 0 0 12.1972 -6.2285 0.0000 N 0 0 11.6194 -6.8105 0.0000 C 0 0 11.0374 -6.2285 0.0000 C 0 0 11.6194 -5.6465 0.0000 C 0 0 13.4312 -6.9403 0.0000 N 0 0 13.0185 -6.2285 0.0000 C 0 0 13.4312 -5.5167 0.0000 C 0 0 14.2525 -5.5167 0.0000 C 0 0 14.6611 -6.2285 0.0000 C 0 0 15.4825 -6.2285 0.0000 C 0 0 15.8952 -6.9403 0.0000 C 0 0 15.4825 -7.6522 0.0000 C 0 0 14.6611 -7.6522 0.0000 C 0 0 14.2525 -6.9403 0.0000 C 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 3 8 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 9 14 2 0 16 17 1 0 17 18 1 0 18 19 1 0 16 19 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 20 29 1 0 24 29 1 0 16 21 1 0 15 18 1 0 11 15 1 0 3 10 1 0 1 6 1 0 M END > CHEMBL3356651 > 0 $$$$ CHEMBL3356652 SciTegic12291823182D 33 38 0 0 0 0 999 V2000 14.6897 -9.0588 0.0000 C 0 0 15.5110 -9.0588 0.0000 O 0 0 13.4598 -6.9274 0.0000 N 0 0 14.2811 -6.9274 0.0000 C 0 0 14.6897 -7.6393 0.0000 C 0 0 14.2811 -8.3511 0.0000 C 0 0 13.4598 -8.3511 0.0000 C 0 0 13.0471 -7.6393 0.0000 C 0 0 13.4598 -5.5038 0.0000 N 0 0 13.0471 -6.2156 0.0000 C 0 0 12.2257 -6.2156 0.0000 C 0 0 11.8171 -5.5038 0.0000 N 0 0 12.2257 -4.7919 0.0000 C 0 0 11.8171 -4.0801 0.0000 C 0 0 12.2257 -3.3683 0.0000 C 0 0 13.0471 -3.3683 0.0000 C 0 0 13.4598 -4.0801 0.0000 C 0 0 13.0471 -4.7919 0.0000 C 0 0 11.8171 -6.9274 0.0000 O 0 0 9.8360 -6.9274 0.0000 N 0 0 10.4139 -6.3455 0.0000 C 0 0 10.9958 -6.9274 0.0000 C 0 0 10.4139 -7.5053 0.0000 C 0 0 8.6020 -6.2156 0.0000 N 0 0 9.0147 -6.9274 0.0000 C 0 0 8.6020 -7.6393 0.0000 C 0 0 7.7807 -7.6393 0.0000 C 0 0 7.3721 -6.9274 0.0000 C 0 0 6.5507 -6.9274 0.0000 C 0 0 6.1380 -6.2156 0.0000 C 0 0 6.5507 -5.5038 0.0000 C 0 0 7.3721 -5.5038 0.0000 C 0 0 7.7807 -6.2156 0.0000 C 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 3 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 9 18 1 0 13 18 1 0 20 21 1 0 21 22 1 0 22 23 1 0 20 23 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 24 33 1 0 28 33 1 0 20 25 1 0 19 22 1 0 11 19 1 0 3 10 1 0 1 6 1 0 M END > CHEMBL3356652 > 0 $$$$ CHEMBL3356680 SciTegic12291823182D 32 37 0 0 0 0 999 V2000 14.8033 -6.6056 0.0000 N 0 0 14.8033 -7.4269 0.0000 C 0 0 14.0915 -7.8397 0.0000 N 0 0 13.3796 -7.4269 0.0000 C 0 0 13.3796 -6.6056 0.0000 C 0 0 12.6678 -6.1970 0.0000 C 0 0 12.6678 -5.3757 0.0000 C 0 0 13.3796 -4.9630 0.0000 C 0 0 14.0915 -5.3757 0.0000 C 0 0 14.0915 -6.1970 0.0000 C 0 0 15.5110 -7.8397 0.0000 N 0 0 11.9560 -4.9630 0.0000 C 0 0 11.2441 -5.3757 0.0000 C 0 0 11.9560 -4.1417 0.0000 N 0 0 10.5323 -4.9630 0.0000 N 0 0 10.5323 -4.1417 0.0000 C 0 0 11.2441 -3.7331 0.0000 C 0 0 11.2441 -6.1970 0.0000 O 0 0 9.5273 -7.1876 0.0000 N 0 0 9.7388 -6.3941 0.0000 C 0 0 10.5323 -6.6056 0.0000 C 0 0 10.3208 -7.3991 0.0000 C 0 0 8.1036 -7.1876 0.0000 N 0 0 8.8155 -7.6003 0.0000 C 0 0 8.8155 -8.4216 0.0000 C 0 0 8.1036 -8.8302 0.0000 C 0 0 7.3959 -8.4216 0.0000 C 0 0 6.6841 -8.8302 0.0000 C 0 0 5.9723 -8.4216 0.0000 C 0 0 5.9723 -7.6003 0.0000 C 0 0 6.6841 -7.1876 0.0000 C 0 0 7.3959 -7.6003 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 2 0 5 10 1 0 2 11 1 0 12 13 1 0 12 14 2 0 13 15 2 0 15 16 1 0 16 17 2 0 14 17 1 0 19 20 1 0 20 21 1 0 21 22 1 0 19 22 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 23 32 1 0 27 32 1 0 19 24 1 0 18 21 1 0 13 18 1 0 7 12 1 0 M END > CHEMBL3356680 > 1 $$$$ CHEMBL3356681 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 7.4258 -4.5196 0.0000 C 0 0 6.6045 -4.5196 0.0000 C 0 0 7.8344 -5.2314 0.0000 N 0 0 8.6557 -5.2314 0.0000 C 0 0 9.0684 -5.9433 0.0000 C 0 0 8.6557 -6.6510 0.0000 C 0 0 7.8344 -6.6510 0.0000 C 0 0 7.4258 -5.9433 0.0000 C 0 0 9.0684 -7.3628 0.0000 C 0 0 9.8898 -7.3628 0.0000 C 0 0 8.6557 -8.0746 0.0000 N 0 0 10.2984 -8.0746 0.0000 N 0 0 9.8898 -8.7865 0.0000 C 0 0 9.0684 -8.7865 0.0000 C 0 0 10.2984 -6.6510 0.0000 O 0 0 12.2836 -6.6510 0.0000 N 0 0 11.7016 -7.2329 0.0000 C 0 0 11.1197 -6.6510 0.0000 C 0 0 11.7016 -6.0731 0.0000 C 0 0 13.5135 -7.3628 0.0000 N 0 0 13.1049 -6.6510 0.0000 C 0 0 13.5135 -5.9433 0.0000 C 0 0 14.3348 -5.9433 0.0000 C 0 0 14.7476 -6.6510 0.0000 C 0 0 15.5689 -6.6510 0.0000 C 0 0 15.9775 -7.3628 0.0000 C 0 0 15.5689 -8.0746 0.0000 C 0 0 14.7476 -8.0746 0.0000 C 0 0 14.3348 -7.3628 0.0000 C 0 0 7.8344 -3.8078 0.0000 O 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 3 8 1 0 9 10 1 0 9 11 2 0 10 12 2 0 12 13 1 0 13 14 2 0 11 14 1 0 16 17 1 0 17 18 1 0 18 19 1 0 16 19 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 20 29 1 0 24 29 1 0 16 21 1 0 15 18 1 0 10 15 1 0 6 9 1 0 1 3 1 0 1 30 2 0 M END > CHEMBL3356681 > 0 $$$$ CHEMBL3356684 SciTegic12291823182D 34 39 0 0 0 0 999 V2000 14.8033 -7.2247 0.0000 C 0 0 15.5110 -6.8161 0.0000 C 0 0 14.0915 -6.8161 0.0000 N 0 0 13.3796 -7.2247 0.0000 C 0 0 12.6678 -6.8161 0.0000 C 0 0 12.6678 -5.9948 0.0000 C 0 0 13.3796 -5.5821 0.0000 C 0 0 14.0915 -5.9948 0.0000 C 0 0 11.9560 -4.7607 0.0000 N 0 0 11.9560 -5.5821 0.0000 C 0 0 11.2441 -5.9948 0.0000 C 0 0 10.5323 -5.5821 0.0000 N 0 0 10.5323 -4.7607 0.0000 C 0 0 9.8246 -4.3522 0.0000 C 0 0 9.8246 -3.5308 0.0000 C 0 0 10.5323 -3.1181 0.0000 C 0 0 11.2441 -3.5308 0.0000 C 0 0 11.2441 -4.3522 0.0000 C 0 0 11.2441 -6.8161 0.0000 O 0 0 9.5273 -7.8067 0.0000 N 0 0 9.7388 -7.0132 0.0000 C 0 0 10.5323 -7.2247 0.0000 C 0 0 10.3208 -8.0182 0.0000 C 0 0 8.1036 -7.8067 0.0000 N 0 0 8.8155 -8.2153 0.0000 C 0 0 8.8155 -9.0366 0.0000 C 0 0 8.1036 -9.4493 0.0000 C 0 0 7.3959 -9.0366 0.0000 C 0 0 6.6841 -9.4493 0.0000 C 0 0 5.9723 -9.0366 0.0000 C 0 0 5.9723 -8.2153 0.0000 C 0 0 6.6841 -7.8067 0.0000 C 0 0 7.3959 -8.2153 0.0000 C 0 0 14.8033 -8.0460 0.0000 O 0 0 1 2 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 3 8 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 9 18 1 0 13 18 1 0 20 21 1 0 21 22 1 0 22 23 1 0 20 23 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 24 33 1 0 28 33 1 0 20 25 1 0 19 22 1 0 11 19 1 0 6 10 1 0 1 3 1 0 1 34 2 0 M END > CHEMBL3356684 > 0 $$$$ CHEMBL3360413 SciTegic12291823182D 31 34 0 0 0 0 999 V2000 30.3122 -1.9209 0.0000 N 0 0 30.3122 -2.7458 0.0000 C 0 0 31.0242 -3.1541 0.0000 N 0 0 31.0242 -1.5041 0.0000 C 0 0 31.0242 -0.6791 0.0000 O 0 0 29.5983 -3.1594 0.0000 N 0 0 31.7361 -1.9209 0.0000 C 0 0 31.7361 -2.7469 0.0000 C 0 0 32.5217 -3.0022 0.0000 N 0 0 33.0073 -2.3339 0.0000 N 0 0 32.5217 -1.6656 0.0000 C 0 0 28.8832 -2.7479 0.0000 C 0 0 2 0 0 0 28.1694 -3.1614 0.0000 C 0 0 27.4543 -2.7500 0.0000 N 0 0 28.1705 -3.9864 0.0000 O 0 0 26.7404 -3.1635 0.0000 C 0 0 26.0262 -2.7504 0.0000 C 0 0 25.3129 -3.1632 0.0000 C 0 0 25.3136 -3.9891 0.0000 C 0 0 26.0337 -4.4004 0.0000 C 0 0 26.7441 -3.9852 0.0000 C 0 0 24.6004 -4.4035 0.0000 O 0 0 23.8847 -3.9930 0.0000 C 0 0 32.7765 -3.7819 0.0000 C 0 0 32.2226 -4.3948 0.0000 C 0 0 32.4769 -5.1789 0.0000 C 0 0 33.2847 -5.3511 0.0000 C 0 0 33.8376 -4.7331 0.0000 C 0 0 33.5804 -3.9515 0.0000 C 0 0 31.4158 -4.2224 0.0000 Cl 0 0 28.8820 -1.9229 0.0000 C 0 0 1 2 1 0 1 4 1 0 2 3 2 0 3 8 1 0 7 4 1 0 4 5 2 0 2 6 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 7 1 0 6 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 19 22 1 0 22 23 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 9 24 1 0 25 30 1 0 12 31 1 6 M END > CHEMBL3360413 > 0 $$$$ CHEMBL3360415 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 19.5171 -8.3168 0.0000 N 0 0 19.5171 -9.1419 0.0000 C 0 0 20.2292 -9.5502 0.0000 N 0 0 20.2292 -7.9002 0.0000 C 0 0 20.2292 -7.0752 0.0000 O 0 0 18.8033 -9.5555 0.0000 N 0 0 20.9413 -8.3168 0.0000 C 0 0 20.9413 -9.1430 0.0000 C 0 0 21.7268 -9.3983 0.0000 N 0 0 22.2124 -8.7300 0.0000 N 0 0 21.7269 -8.0617 0.0000 C 0 0 18.0882 -9.1440 0.0000 C 0 0 1 0 0 0 17.3743 -9.5575 0.0000 C 0 0 16.6592 -9.1460 0.0000 N 0 0 17.3755 -10.3825 0.0000 O 0 0 15.9453 -9.5596 0.0000 C 0 0 15.2312 -9.1465 0.0000 C 0 0 14.5177 -9.5593 0.0000 C 0 0 14.5185 -10.3853 0.0000 C 0 0 15.2385 -10.7966 0.0000 C 0 0 15.9491 -10.3813 0.0000 C 0 0 13.8051 -10.7997 0.0000 O 0 0 13.0895 -10.3892 0.0000 C 0 0 21.9815 -10.1780 0.0000 C 0 0 21.5041 -10.8426 0.0000 C 0 0 21.9873 -11.5055 0.0000 C 0 0 22.7671 -11.2508 0.0000 C 0 0 22.7657 -10.4305 0.0000 C 0 0 18.0870 -8.3190 0.0000 C 0 0 1 2 1 0 1 4 1 0 2 3 2 0 3 8 1 0 7 4 1 0 4 5 2 0 2 6 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 7 1 0 6 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 19 22 1 0 22 23 1 0 9 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 24 1 0 12 29 1 1 M END > CHEMBL3360415 > 0 $$$$ CHEMBL3360170 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 17.8622 -21.3708 0.0000 N 0 0 18.5674 -20.9663 0.0000 C 0 0 18.5674 -20.1491 0.0000 N 0 0 17.8622 -19.7364 0.0000 C 0 0 17.1569 -20.9663 0.0000 C 0 0 17.1569 -20.1492 0.0000 C 0 0 16.3798 -19.8966 0.0000 S 0 0 15.8994 -20.5577 0.0000 C 0 0 16.3797 -21.2187 0.0000 C 0 0 19.2764 -19.7426 0.0000 C 0 0 17.8621 -18.9192 0.0000 O 0 0 19.2746 -21.3759 0.0000 N 0 0 19.2787 -18.9254 0.0000 C 0 0 19.2734 -22.1931 0.0000 C 0 0 18.5641 -22.5990 0.0000 C 0 0 18.5625 -23.4154 0.0000 C 0 0 19.2702 -23.8259 0.0000 N 0 0 19.9808 -23.4139 0.0000 C 0 0 19.9789 -22.5988 0.0000 C 0 0 20.6857 -22.1888 0.0000 F 0 0 16.1272 -21.9959 0.0000 C 0 0 15.3281 -22.1614 0.0000 C 0 0 15.0748 -22.9346 0.0000 N 0 0 15.6187 -23.5450 0.0000 C 0 0 16.4193 -23.3768 0.0000 C 0 0 16.6761 -22.5983 0.0000 C 0 0 14.2733 -23.1026 0.0000 C 0 0 13.7288 -22.4932 0.0000 O 0 0 14.0178 -23.8788 0.0000 O 0 0 13.9843 -21.7170 0.0000 C 0 0 6 4 1 0 5 1 1 0 1 2 2 0 2 3 1 0 3 4 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 3 10 1 0 4 11 2 0 2 12 1 0 10 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 14 1 0 19 20 1 0 9 21 1 0 21 22 1 0 21 26 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 28 1 0 27 29 2 0 23 27 1 0 28 30 1 0 M END > CHEMBL3360170 > 1 $$$$ CHEMBL3360171 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 23.6820 -21.0860 0.0000 C 0 0 23.6862 -21.9032 0.0000 C 0 0 24.3918 -21.4910 0.0000 C 0 0 27.8212 -20.7806 0.0000 N 0 0 28.5265 -20.3761 0.0000 C 0 0 28.5265 -19.5589 0.0000 N 0 0 27.8212 -19.1462 0.0000 C 0 0 27.1159 -20.3761 0.0000 C 0 0 27.1159 -19.5590 0.0000 C 0 0 26.3388 -19.3064 0.0000 S 0 0 25.8584 -19.9675 0.0000 C 0 0 26.3387 -20.6285 0.0000 C 0 0 29.2354 -19.1524 0.0000 C 0 0 27.8211 -18.3290 0.0000 O 0 0 29.2336 -20.7857 0.0000 N 0 0 29.2377 -18.3352 0.0000 C 0 0 29.2324 -21.6029 0.0000 C 0 0 28.5231 -22.0088 0.0000 C 0 0 28.5215 -22.8252 0.0000 C 0 0 29.2292 -23.2357 0.0000 N 0 0 29.9398 -22.8237 0.0000 C 0 0 29.9379 -22.0087 0.0000 C 0 0 30.6447 -21.5986 0.0000 F 0 0 26.0862 -21.4057 0.0000 C 0 0 25.2871 -21.5712 0.0000 C 0 0 25.0338 -22.3444 0.0000 N 0 0 25.5777 -22.9548 0.0000 C 0 0 26.3783 -22.7866 0.0000 C 0 0 26.6351 -22.0081 0.0000 C 0 0 24.2323 -22.5124 0.0000 C 0 0 23.9768 -23.2886 0.0000 O 0 0 22.8876 -22.0705 0.0000 C 0 0 22.3429 -21.4614 0.0000 O 0 0 2 1 1 0 3 2 1 0 9 7 1 0 8 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 8 1 0 6 13 1 0 7 14 2 0 5 15 1 0 13 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 22 23 1 0 12 24 1 0 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 30 31 2 0 26 30 1 0 30 2 1 0 2 32 1 0 32 33 1 0 M END > CHEMBL3360171 > 1 $$$$ CHEMBL3360172 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 3.1697 -28.0817 0.0000 C 0 0 3.1738 -28.8989 0.0000 C 0 0 3.8795 -28.4867 0.0000 C 0 0 7.3088 -27.7762 0.0000 N 0 0 8.0141 -27.3718 0.0000 C 0 0 8.0141 -26.5546 0.0000 N 0 0 7.3088 -26.1419 0.0000 C 0 0 6.6036 -27.3718 0.0000 C 0 0 6.6036 -26.5546 0.0000 C 0 0 5.8264 -26.3020 0.0000 S 0 0 5.3460 -26.9631 0.0000 C 0 0 5.8264 -27.6242 0.0000 C 0 0 8.7230 -26.1481 0.0000 C 0 0 7.3088 -25.3247 0.0000 O 0 0 8.7212 -27.7814 0.0000 N 0 0 8.7254 -25.3309 0.0000 C 0 0 8.7201 -28.5986 0.0000 C 0 0 8.0107 -29.0045 0.0000 C 0 0 8.0092 -29.8209 0.0000 C 0 0 8.7168 -30.2313 0.0000 N 0 0 9.4275 -29.8194 0.0000 C 0 0 9.4255 -29.0043 0.0000 C 0 0 10.1324 -28.5943 0.0000 F 0 0 5.5738 -28.4014 0.0000 C 0 0 4.7748 -28.5669 0.0000 C 0 0 4.5214 -29.3401 0.0000 N 0 0 5.0653 -29.9505 0.0000 C 0 0 5.8660 -29.7823 0.0000 C 0 0 6.1228 -29.0038 0.0000 C 0 0 3.7200 -29.5080 0.0000 C 0 0 3.4645 -30.2843 0.0000 O 0 0 2.3753 -29.0662 0.0000 C 0 0 1.5751 -29.2363 0.0000 N 0 0 2 1 1 0 3 2 1 0 1 3 1 0 9 7 1 0 8 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 8 1 0 6 13 1 0 7 14 2 0 5 15 1 0 13 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 22 23 1 0 12 24 1 0 24 25 1 0 24 29 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 30 31 2 0 26 30 1 0 30 2 1 0 2 32 1 0 32 33 3 0 M END > CHEMBL3360172 > 1 $$$$ CHEMBL3317685 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 1.2406 -11.0772 0.0000 N 0 0 0.5315 -10.6686 0.0000 C 0 0 0.5315 -9.8514 0.0000 C 0 0 1.2406 -9.4429 0.0000 C 0 0 1.9456 -9.8514 0.0000 C 0 0 2.6547 -9.4429 0.0000 C 0 0 3.3638 -9.8514 0.0000 N 0 0 3.3638 -10.6686 0.0000 C 0 0 2.6547 -11.0772 0.0000 C 0 0 1.9456 -10.6686 0.0000 C 0 0 3.9702 -9.3036 0.0000 N 0 0 3.6400 -8.5563 0.0000 C 0 0 2.8254 -8.6403 0.0000 C 0 0 4.0486 -7.8472 0.0000 C 0 0 3.6400 -7.1423 0.0000 O 0 0 4.8658 -7.8472 0.0000 O 0 0 4.0729 -11.0772 0.0000 C 0 0 4.0729 -11.8944 0.0000 C 0 0 4.7778 -12.3030 0.0000 C 0 0 5.5251 -11.9686 0.0000 N 0 0 6.0730 -12.5751 0.0000 C 0 0 5.6644 -13.2842 0.0000 C 0 0 4.8660 -13.1134 0.0000 N 0 0 6.0730 -13.9933 0.0000 C 0 0 6.8902 -13.9933 0.0000 C 0 0 7.2987 -13.2842 0.0000 C 0 0 6.8902 -12.5751 0.0000 C 0 0 5.6959 -11.1702 0.0000 C 0 0 5.2744 -7.1423 0.0000 C 0 0 6.0915 -7.1423 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 6 13 2 0 7 11 1 0 14 15 2 0 14 16 1 0 12 14 1 0 17 18 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 19 23 2 0 24 25 1 0 25 26 2 0 26 27 1 0 21 27 2 0 22 24 2 0 20 28 1 0 18 19 1 0 8 17 1 0 29 30 1 0 16 29 1 0 M END > CHEMBL3317685 > 0 $$$$ CHEMBL3317684 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 19.9651 -3.0185 0.0000 N 0 0 19.2560 -2.6099 0.0000 C 0 0 19.2560 -1.7927 0.0000 C 0 0 19.9651 -1.3841 0.0000 C 0 0 20.6742 -1.7927 0.0000 C 0 0 21.3792 -1.3841 0.0000 C 0 0 22.0883 -1.7927 0.0000 N 0 0 22.0883 -2.6099 0.0000 C 0 0 21.3792 -3.0185 0.0000 C 0 0 20.6742 -2.6099 0.0000 C 0 0 22.6947 -1.2449 0.0000 N 0 0 22.3645 -0.4976 0.0000 C 0 0 21.5499 -0.5857 0.0000 C 0 0 22.7730 0.2136 0.0000 C 0 0 22.3645 0.9243 0.0000 O 0 0 23.5902 0.2136 0.0000 O 0 0 22.7973 -3.0185 0.0000 C 0 0 22.7973 -3.8357 0.0000 C 0 0 23.5023 -4.2443 0.0000 C 0 0 23.5905 -5.0547 0.0000 N 0 0 24.3888 -5.2254 0.0000 C 0 0 24.7974 -4.5164 0.0000 C 0 0 24.2496 -3.9099 0.0000 N 0 0 24.7191 -5.9727 0.0000 C 0 0 24.2431 -6.6360 0.0000 C 0 0 24.5734 -7.3792 0.0000 C 0 0 25.3838 -7.4732 0.0000 C 0 0 25.8680 -6.8041 0.0000 C 0 0 25.5336 -6.0568 0.0000 C 0 0 24.4204 -3.1115 0.0000 C 0 0 23.9988 0.9243 0.0000 C 0 0 24.8160 0.9243 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 6 13 2 0 7 11 1 0 14 15 2 0 14 16 1 0 12 14 1 0 17 18 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 19 23 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 2 0 21 24 1 0 23 30 1 0 18 19 1 0 8 17 1 0 31 32 1 0 16 31 1 0 M END > CHEMBL3317684 > 0 $$$$ CHEMBL3317683 SciTegic12291823182D 26 30 0 0 0 0 999 V2000 12.1743 -4.6846 0.0000 N 0 0 11.3571 -4.6846 0.0000 C 0 0 10.9485 -3.9755 0.0000 C 0 0 11.3571 -3.2664 0.0000 C 0 0 12.1743 -3.2664 0.0000 C 0 0 12.5829 -2.5615 0.0000 C 0 0 13.4001 -2.5615 0.0000 N 0 0 13.8087 -3.2665 0.0000 C 0 0 13.4001 -3.9755 0.0000 C 0 0 12.5829 -3.9755 0.0000 C 0 0 13.6506 -1.7843 0.0000 N 0 0 12.9915 -1.3041 0.0000 C 0 0 12.3282 -1.7843 0.0000 C 0 0 14.6259 -3.2665 0.0000 C 0 0 15.0345 -3.9755 0.0000 C 0 0 15.8517 -3.9755 0.0000 C 0 0 16.3318 -3.3164 0.0000 N 0 0 17.1090 -3.5669 0.0000 C 0 0 17.1090 -4.3841 0.0000 C 0 0 16.3318 -4.6388 0.0000 N 0 0 17.8140 -4.7927 0.0000 C 0 0 18.5231 -4.3841 0.0000 C 0 0 18.5231 -3.5669 0.0000 C 0 0 17.8140 -3.1583 0.0000 C 0 0 16.0771 -2.5392 0.0000 C 0 0 12.9915 -0.4869 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 6 13 2 0 7 11 1 0 14 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 16 20 2 0 21 22 1 0 22 23 2 0 23 24 1 0 18 24 2 0 19 21 2 0 17 25 1 0 15 16 1 0 8 14 1 0 12 26 1 0 M END > CHEMBL3317683 > 0 $$$$ CHEMBL3317682 SciTegic12291823182D 28 32 0 0 0 0 999 V2000 3.1796 -5.0194 0.0000 N 0 0 2.4705 -5.4280 0.0000 C 0 0 1.7655 -5.0194 0.0000 C 0 0 1.7655 -4.2022 0.0000 C 0 0 2.4705 -3.7936 0.0000 C 0 0 2.4705 -2.9764 0.0000 C 0 0 3.1796 -2.5678 0.0000 N 0 0 3.8886 -2.9764 0.0000 C 0 0 3.8886 -3.7936 0.0000 C 0 0 3.1796 -4.2022 0.0000 C 0 0 3.0088 -1.7694 0.0000 N 0 0 2.1984 -1.6813 0.0000 C 0 0 1.8640 -2.4286 0.0000 C 0 0 4.5936 -2.5678 0.0000 C 0 0 5.3027 -2.9764 0.0000 C 0 0 6.0118 -2.5678 0.0000 C 0 0 6.7591 -2.8981 0.0000 N 0 0 7.3028 -2.2916 0.0000 C 0 0 6.8942 -1.5825 0.0000 C 0 0 6.0958 -1.7533 0.0000 N 0 0 8.1173 -2.3798 0.0000 C 0 0 8.4476 -3.1229 0.0000 C 0 0 9.2621 -3.2070 0.0000 C 0 0 9.7423 -2.5478 0.0000 C 0 0 9.4079 -1.8005 0.0000 C 0 0 8.5975 -1.7165 0.0000 C 0 0 5.4893 -1.2055 0.0000 C 0 0 1.7898 -0.9763 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 6 13 2 0 7 11 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 21 26 2 0 18 21 1 0 20 27 1 0 15 16 1 0 8 14 1 0 12 28 1 0 M END > CHEMBL3317682 > 0 $$$$ CHEMBL3317686 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 10.7282 -12.7111 0.0000 N 0 0 10.0191 -13.1197 0.0000 C 0 0 9.3100 -12.7111 0.0000 C 0 0 9.3100 -11.8898 0.0000 C 0 0 10.0191 -11.4771 0.0000 C 0 0 10.0191 -10.6558 0.0000 C 0 0 10.7282 -10.2472 0.0000 N 0 0 11.4414 -10.6558 0.0000 C 0 0 11.4414 -11.4771 0.0000 C 0 0 10.7282 -11.8898 0.0000 C 0 0 10.5615 -9.4447 0.0000 N 0 0 9.7429 -9.3565 0.0000 C 0 0 9.4126 -10.1079 0.0000 C 0 0 12.1546 -10.2472 0.0000 C 0 0 12.8678 -10.6558 0.0000 C 0 0 13.5769 -10.2472 0.0000 C 0 0 14.3283 -10.5816 0.0000 N 0 0 14.8762 -9.9710 0.0000 C 0 0 14.4676 -9.2619 0.0000 C 0 0 13.6651 -9.4326 0.0000 N 0 0 15.6907 -10.0591 0.0000 C 0 0 16.0292 -10.8064 0.0000 C 0 0 16.8438 -10.8946 0.0000 C 0 0 17.3239 -10.2313 0.0000 C 0 0 16.9936 -9.4799 0.0000 C 0 0 16.1750 -9.3917 0.0000 C 0 0 13.0503 -8.8807 0.0000 C 0 0 9.3335 -8.6493 0.0000 C 0 0 9.7413 -7.9411 0.0000 F 0 0 8.5163 -8.6502 0.0000 F 0 0 8.9189 -7.9367 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 6 13 2 0 7 11 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 21 26 2 0 18 21 1 0 20 27 1 0 15 16 1 0 8 14 1 0 12 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 M END > CHEMBL3317686 > 0 $$$$ CHEMBL3317687 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 21.5693 -13.1331 0.0000 N 0 0 20.8603 -13.5459 0.0000 C 0 0 20.1512 -13.1331 0.0000 C 0 0 20.1512 -12.3159 0.0000 C 0 0 20.8603 -11.9032 0.0000 C 0 0 20.8603 -11.0860 0.0000 C 0 0 21.5693 -10.6733 0.0000 N 0 0 22.2826 -11.0860 0.0000 C 0 0 22.2826 -11.9032 0.0000 C 0 0 21.5693 -12.3160 0.0000 C 0 0 21.3986 -9.8749 0.0000 N 0 0 20.5840 -9.7868 0.0000 C 0 0 20.2550 -10.5382 0.0000 C 0 0 22.9916 -10.6733 0.0000 C 0 0 23.7007 -11.0860 0.0000 C 0 0 24.4098 -10.6733 0.0000 C 0 0 25.1571 -11.0077 0.0000 N 0 0 25.7091 -10.3971 0.0000 C 0 0 25.2964 -9.6880 0.0000 C 0 0 24.4980 -9.8588 0.0000 N 0 0 26.5236 -10.4853 0.0000 C 0 0 26.8580 -11.2326 0.0000 C 0 0 27.6726 -11.3207 0.0000 C 0 0 28.1527 -10.6574 0.0000 C 0 0 27.8183 -9.9060 0.0000 C 0 0 27.0038 -9.8220 0.0000 C 0 0 23.8874 -9.3109 0.0000 C 0 0 20.1765 -9.0777 0.0000 C 0 0 19.3593 -9.0777 0.0000 O 0 0 18.9465 -8.3686 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 6 13 2 0 7 11 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 21 26 2 0 18 21 1 0 20 27 1 0 15 16 1 0 8 14 1 0 29 30 1 0 28 29 1 0 12 28 1 0 M END > CHEMBL3317687 > 0 $$$$ CHEMBL3317688 SciTegic12291823182D 28 32 0 0 0 0 999 V2000 -2.1341 -18.4667 0.0000 C 0 0 -1.4317 -18.0581 0.0000 N 0 0 -0.7210 -18.4667 0.0000 C 0 0 -0.7210 -19.2838 0.0000 C 0 0 -1.4317 -19.6924 0.0000 C 0 0 -1.4317 -20.5096 0.0000 C 0 0 -2.1341 -20.9182 0.0000 N 0 0 -2.8448 -20.5096 0.0000 C 0 0 -2.8448 -19.6924 0.0000 C 0 0 -2.1341 -19.2838 0.0000 C 0 0 -1.5993 -17.2597 0.0000 N 0 0 -2.4109 -17.1715 0.0000 C 0 0 -2.7410 -17.9188 0.0000 C 0 0 -0.0144 -18.0581 0.0000 C 0 0 0.6988 -18.4667 0.0000 C 0 0 1.4037 -18.0581 0.0000 C 0 0 2.1510 -18.3883 0.0000 N 0 0 2.6989 -17.7819 0.0000 C 0 0 2.2903 -17.0728 0.0000 C 0 0 1.4919 -17.2435 0.0000 N 0 0 3.5134 -17.8700 0.0000 C 0 0 3.8437 -18.6132 0.0000 C 0 0 4.6582 -18.6972 0.0000 C 0 0 5.1384 -18.0381 0.0000 C 0 0 4.8040 -17.2908 0.0000 C 0 0 3.9936 -17.2067 0.0000 C 0 0 0.8854 -16.6957 0.0000 C 0 0 -2.8195 -16.4666 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 1 13 2 0 2 11 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 21 26 2 0 18 21 1 0 20 27 1 0 15 16 1 0 3 14 1 0 12 28 1 0 M END > CHEMBL3317688 > 0 $$$$ CHEMBL3317689 SciTegic12291823182D 28 32 0 0 0 0 999 V2000 8.2072 -18.3050 0.0000 C 0 0 8.9163 -17.8964 0.0000 N 0 0 9.6254 -18.3050 0.0000 C 0 0 9.6254 -19.1221 0.0000 C 0 0 8.9163 -19.5307 0.0000 C 0 0 8.9163 -20.3479 0.0000 C 0 0 8.2072 -20.7565 0.0000 C 0 0 7.5022 -20.3479 0.0000 N 0 0 7.5022 -19.5307 0.0000 C 0 0 8.2072 -19.1221 0.0000 C 0 0 8.7455 -17.0980 0.0000 N 0 0 7.9351 -17.0098 0.0000 C 0 0 7.6007 -17.7571 0.0000 C 0 0 10.3345 -17.8964 0.0000 C 0 0 11.0394 -18.3050 0.0000 C 0 0 11.7485 -17.8964 0.0000 C 0 0 12.4958 -18.2266 0.0000 N 0 0 13.0395 -17.6202 0.0000 C 0 0 12.6309 -16.9111 0.0000 C 0 0 11.8325 -17.0818 0.0000 N 0 0 13.8540 -17.7083 0.0000 C 0 0 14.1843 -18.4515 0.0000 C 0 0 14.9989 -18.5355 0.0000 C 0 0 15.4790 -17.8764 0.0000 C 0 0 15.1446 -17.1291 0.0000 C 0 0 14.3342 -17.0450 0.0000 C 0 0 11.2261 -16.5340 0.0000 C 0 0 7.5265 -16.3049 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 1 10 1 0 5 10 1 0 11 12 2 0 12 13 1 0 1 13 2 0 2 11 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 21 26 2 0 18 21 1 0 20 27 1 0 15 16 1 0 3 14 1 0 12 28 1 0 M END > CHEMBL3317689 > 0 $$$$ CHEMBL3317690 SciTegic12291823182D 26 30 0 0 0 0 999 V2000 17.7178 -17.6692 0.0000 C 0 0 18.5391 -17.6692 0.0000 N 0 0 18.9518 -18.3824 0.0000 C 0 0 18.5391 -19.0915 0.0000 C 0 0 17.7178 -19.0915 0.0000 C 0 0 17.3092 -19.8047 0.0000 C 0 0 16.4879 -19.8047 0.0000 C 0 0 16.0751 -19.0915 0.0000 N 0 0 16.4879 -18.3824 0.0000 C 0 0 17.3092 -18.3824 0.0000 C 0 0 18.7938 -16.8879 0.0000 N 0 0 18.1305 -16.4036 0.0000 C 0 0 17.4631 -16.8879 0.0000 C 0 0 19.7731 -18.3824 0.0000 C 0 0 20.1817 -19.0915 0.0000 C 0 0 21.0030 -19.0915 0.0000 C 0 0 21.4873 -18.4282 0.0000 N 0 0 22.2687 -18.6788 0.0000 C 0 0 22.2687 -19.5001 0.0000 C 0 0 21.4873 -19.7548 0.0000 N 0 0 22.9778 -19.9128 0.0000 C 0 0 23.6910 -19.5001 0.0000 C 0 0 23.6910 -18.6788 0.0000 C 0 0 22.9778 -18.2702 0.0000 C 0 0 21.2326 -17.6469 0.0000 C 0 0 18.1305 -15.5823 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 1 10 1 0 5 10 1 0 11 12 2 0 12 13 1 0 1 13 2 0 2 11 1 0 14 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 16 20 2 0 21 22 1 0 22 23 2 0 23 24 1 0 18 24 2 0 19 21 2 0 17 25 1 0 15 16 1 0 3 14 1 0 12 26 1 0 M END > CHEMBL3317690 > 0 $$$$ CHEMBL3317691 SciTegic12291823182D 28 32 0 0 0 0 999 V2000 25.4013 -18.4907 0.0000 C 0 0 26.1104 -18.0821 0.0000 N 0 0 26.8195 -18.4907 0.0000 C 0 0 26.8195 -19.3079 0.0000 C 0 0 26.1104 -19.7165 0.0000 C 0 0 26.1104 -20.5337 0.0000 C 0 0 25.4013 -20.9423 0.0000 C 0 0 24.6964 -20.5337 0.0000 C 0 0 24.6964 -19.7165 0.0000 C 0 0 25.4013 -19.3079 0.0000 C 0 0 25.9397 -17.2837 0.0000 N 0 0 25.1293 -17.1955 0.0000 C 0 0 24.7949 -17.9428 0.0000 C 0 0 27.5245 -18.0821 0.0000 C 0 0 28.2336 -18.4907 0.0000 C 0 0 28.9427 -18.0821 0.0000 C 0 0 29.6900 -18.4123 0.0000 N 0 0 30.2337 -17.8059 0.0000 C 0 0 29.8251 -17.0968 0.0000 C 0 0 29.0267 -17.2675 0.0000 N 0 0 31.0482 -17.8940 0.0000 C 0 0 31.3785 -18.6372 0.0000 C 0 0 32.1930 -18.7212 0.0000 C 0 0 32.6732 -18.0621 0.0000 C 0 0 32.3388 -17.3148 0.0000 C 0 0 31.5284 -17.2308 0.0000 C 0 0 28.4202 -16.7197 0.0000 C 0 0 24.7207 -16.4906 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 1 13 2 0 2 11 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 16 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 21 26 2 0 18 21 1 0 20 27 1 0 15 16 1 0 3 14 1 0 12 28 1 0 M END > CHEMBL3317691 > 0 $$$$ CHEMBL3317692 SciTegic12291823182D 26 30 0 0 0 0 999 V2000 1.9078 -24.4110 0.0000 C 0 0 2.7250 -24.4110 0.0000 N 0 0 3.1336 -25.1160 0.0000 C 0 0 2.7250 -25.8251 0.0000 C 0 0 1.9078 -25.8251 0.0000 C 0 0 1.4992 -26.5342 0.0000 C 0 0 0.6820 -26.5342 0.0000 C 0 0 0.2734 -25.8251 0.0000 C 0 0 0.6820 -25.1160 0.0000 C 0 0 1.4992 -25.1160 0.0000 C 0 0 2.9756 -23.6338 0.0000 N 0 0 2.3164 -23.1537 0.0000 C 0 0 1.6532 -23.6338 0.0000 C 0 0 3.9508 -25.1160 0.0000 C 0 0 4.3594 -25.8251 0.0000 C 0 0 5.1766 -25.8251 0.0000 C 0 0 5.6567 -25.1659 0.0000 N 0 0 6.4340 -25.4165 0.0000 C 0 0 6.4340 -26.2337 0.0000 C 0 0 5.6567 -26.4884 0.0000 N 0 0 7.1389 -26.6423 0.0000 C 0 0 7.8480 -26.2337 0.0000 C 0 0 7.8480 -25.4165 0.0000 C 0 0 7.1389 -25.0079 0.0000 C 0 0 5.4021 -24.3887 0.0000 C 0 0 2.3164 -22.3365 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 1 13 2 0 2 11 1 0 14 15 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 16 20 2 0 21 22 1 0 22 23 2 0 23 24 1 0 18 24 2 0 19 21 2 0 17 25 1 0 15 16 1 0 3 14 1 0 12 26 1 0 M END > CHEMBL3317692 > 0 $$$$ CHEMBL3315046 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 1.9879 -17.3673 0.0000 C 0 0 1.9868 -18.1869 0.0000 C 0 0 2.6948 -18.5958 0.0000 C 0 0 3.4045 -18.1864 0.0000 C 0 0 3.4016 -17.3637 0.0000 C 0 0 2.6930 -16.9585 0.0000 C 0 0 1.2787 -18.5949 0.0000 C 0 0 0.5329 -18.2592 0.0000 C 0 0 -0.0186 -18.8661 0.0000 N 0 0 1.1930 -19.4048 0.0000 C 0 0 0.3933 -19.5701 0.0000 C 0 0 0.1382 -20.3438 0.0000 C 0 0 1.7350 -20.0096 0.0000 N 0 0 1.4836 -20.7832 0.0000 C 0 0 0.6818 -20.9496 0.0000 C 0 0 -0.8320 -18.7810 0.0000 C 0 0 4.1078 -16.9525 0.0000 O 0 0 4.8170 -17.3584 0.0000 C 0 0 4.8168 -18.1733 0.0000 N 0 0 5.5252 -18.5791 0.0000 C 0 0 6.2323 -18.1678 0.0000 C 0 0 6.2266 -17.3464 0.0000 C 0 0 5.5176 -16.9442 0.0000 C 0 0 5.5131 -16.1277 0.0000 C 0 0 6.2187 -15.7133 0.0000 C 0 0 6.2118 -14.9017 0.0000 C 0 0 5.4999 -14.4958 0.0000 N 0 0 4.7936 -14.9184 0.0000 C 0 0 4.8040 -15.7282 0.0000 C 0 0 0.4268 -21.7260 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 11 1 0 10 7 1 0 10 11 2 0 11 12 1 0 12 15 2 0 14 13 2 0 13 10 1 0 14 15 1 0 9 16 1 0 5 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 23 24 1 0 15 30 1 0 M END > CHEMBL3315046 > 0 $$$$ CHEMBL3315045 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 14.6131 -7.6890 0.0000 C 0 0 14.6120 -8.5085 0.0000 C 0 0 15.3200 -8.9175 0.0000 C 0 0 16.0297 -8.5081 0.0000 C 0 0 16.0268 -7.6854 0.0000 C 0 0 15.3182 -7.2801 0.0000 C 0 0 13.9039 -8.9166 0.0000 C 0 0 13.1580 -8.5809 0.0000 C 0 0 12.6107 -9.1878 0.0000 N 0 0 13.8182 -9.7265 0.0000 C 0 0 13.0185 -9.8917 0.0000 C 0 0 12.7633 -10.6655 0.0000 C 0 0 14.3602 -10.3313 0.0000 N 0 0 14.1088 -11.1048 0.0000 C 0 0 13.3070 -11.2713 0.0000 C 0 0 11.7980 -9.1026 0.0000 C 0 0 16.7330 -7.2741 0.0000 O 0 0 17.4422 -7.6801 0.0000 C 0 0 17.4420 -8.4949 0.0000 N 0 0 18.1504 -8.9008 0.0000 C 0 0 18.8575 -8.4894 0.0000 C 0 0 18.8518 -7.6680 0.0000 C 0 0 18.1428 -7.2659 0.0000 C 0 0 18.1383 -6.4493 0.0000 C 0 0 18.8439 -6.0350 0.0000 C 0 0 18.8370 -5.2233 0.0000 C 0 0 18.1251 -4.8174 0.0000 N 0 0 17.4188 -5.2400 0.0000 C 0 0 17.4292 -6.0499 0.0000 C 0 0 13.0520 -12.0477 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 11 1 0 10 7 1 0 10 11 2 0 11 12 1 0 12 15 2 0 14 13 2 0 13 10 1 0 14 15 1 0 9 16 1 0 5 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 23 24 1 0 15 30 1 0 M END > CHEMBL3315045 > 0 $$$$ CHEMBL3315044 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 3.4159 -9.5462 0.0000 C 0 0 3.4148 -10.3658 0.0000 C 0 0 4.1228 -10.7747 0.0000 C 0 0 4.8325 -10.3653 0.0000 C 0 0 4.8297 -9.5426 0.0000 C 0 0 4.1210 -9.1374 0.0000 C 0 0 2.7068 -10.7738 0.0000 C 0 0 1.9609 -10.4382 0.0000 C 0 0 1.4136 -11.0450 0.0000 N 0 0 2.6211 -11.5837 0.0000 C 0 0 1.8214 -11.7490 0.0000 C 0 0 1.5662 -12.5227 0.0000 C 0 0 3.1631 -12.1885 0.0000 N 0 0 2.9116 -12.9621 0.0000 C 0 0 2.1098 -13.1285 0.0000 C 0 0 0.6008 -10.9599 0.0000 C 0 0 5.5358 -9.1314 0.0000 O 0 0 6.2451 -9.5373 0.0000 C 0 0 6.2448 -10.3522 0.0000 N 0 0 6.9532 -10.7580 0.0000 C 0 0 7.6604 -10.3467 0.0000 C 0 0 7.6546 -9.5253 0.0000 C 0 0 6.9457 -9.1231 0.0000 C 0 0 6.9411 -8.3066 0.0000 C 0 0 7.6468 -7.8922 0.0000 C 0 0 7.6398 -7.0806 0.0000 C 0 0 6.9279 -6.6747 0.0000 N 0 0 6.2216 -7.0973 0.0000 C 0 0 6.2320 -7.9071 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 11 1 0 10 7 1 0 10 11 2 0 11 12 1 0 12 15 2 0 14 13 2 0 13 10 1 0 14 15 1 0 9 16 1 0 5 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 23 24 1 0 M END > CHEMBL3315044 > 0 $$$$ CHEMBL3315043 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 11.7983 -2.0223 0.0000 C 0 0 11.7972 -2.8418 0.0000 C 0 0 12.5052 -3.2508 0.0000 C 0 0 13.2149 -2.8414 0.0000 C 0 0 13.2121 -2.0187 0.0000 C 0 0 12.5034 -1.6134 0.0000 C 0 0 11.0892 -3.2499 0.0000 C 0 0 10.3433 -2.9142 0.0000 C 0 0 9.7960 -3.5211 0.0000 N 0 0 11.0035 -4.0598 0.0000 C 0 0 10.2038 -4.2250 0.0000 C 0 0 9.9486 -4.9988 0.0000 C 0 0 11.5455 -4.6646 0.0000 N 0 0 11.2940 -5.4381 0.0000 C 0 0 10.4922 -5.6046 0.0000 C 0 0 8.9832 -3.4359 0.0000 C 0 0 13.9182 -1.6074 0.0000 O 0 0 14.6275 -2.0134 0.0000 C 0 0 14.6272 -2.8282 0.0000 N 0 0 15.3356 -3.2341 0.0000 C 0 0 16.0428 -2.8228 0.0000 C 0 0 16.0370 -2.0014 0.0000 N 0 0 15.3281 -1.5992 0.0000 C 0 0 15.3235 -0.7826 0.0000 C 0 0 16.0292 -0.3683 0.0000 C 0 0 16.0222 0.4481 0.0000 C 0 0 15.3103 0.8512 0.0000 N 0 0 14.6040 0.4318 0.0000 C 0 0 14.6144 -0.3832 0.0000 C 0 0 10.2372 -6.3810 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 11 1 0 10 7 1 0 10 11 2 0 11 12 1 0 12 15 2 0 14 13 2 0 13 10 1 0 14 15 1 0 9 16 1 0 5 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 23 24 1 0 15 30 1 0 M END > CHEMBL3315043 > 0 $$$$ CHEMBL3315042 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 2.2727 -2.9262 0.0000 C 0 0 2.2715 -3.7457 0.0000 C 0 0 2.9796 -4.1547 0.0000 C 0 0 3.6892 -3.7452 0.0000 C 0 0 3.6864 -2.9226 0.0000 C 0 0 2.9778 -2.5173 0.0000 C 0 0 1.5635 -4.1537 0.0000 C 0 0 0.8176 -3.8181 0.0000 C 0 0 0.2703 -4.4249 0.0000 N 0 0 1.4778 -4.9636 0.0000 C 0 0 0.6781 -5.1289 0.0000 C 0 0 0.4229 -5.9026 0.0000 C 0 0 2.0198 -5.5685 0.0000 N 0 0 1.7684 -6.3420 0.0000 C 0 0 0.9666 -6.5085 0.0000 C 0 0 -0.5472 -4.3398 0.0000 C 0 0 4.3926 -2.5113 0.0000 O 0 0 5.1018 -2.9172 0.0000 C 0 0 5.1016 -3.7321 0.0000 N 0 0 5.8100 -4.1379 0.0000 C 0 0 6.5171 -3.7266 0.0000 C 0 0 6.5114 -2.9052 0.0000 N 0 0 5.8024 -2.5031 0.0000 C 0 0 5.7979 -1.6865 0.0000 C 0 0 6.5035 -1.2722 0.0000 C 0 0 6.4966 -0.4605 0.0000 C 0 0 5.7847 -0.0546 0.0000 N 0 0 5.0783 -0.4772 0.0000 C 0 0 5.0888 -1.2871 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 11 1 0 10 7 1 0 10 11 2 0 11 12 1 0 12 15 2 0 14 13 2 0 13 10 1 0 14 15 1 0 9 16 1 0 5 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 23 24 1 0 M END > CHEMBL3315042 > 0 $$$$ CHEMBL3315040 SciTegic12291823182D 33 38 0 0 0 0 999 V2000 1.1278 -12.4790 0.0000 C 0 0 1.1266 -13.3064 0.0000 C 0 0 1.8414 -13.7193 0.0000 C 0 0 2.5578 -13.3060 0.0000 C 0 0 2.5550 -12.4754 0.0000 C 0 0 1.8396 -12.0663 0.0000 C 0 0 0.4118 -13.7184 0.0000 C 0 0 -0.3421 -13.3795 0.0000 C 0 0 -0.8979 -13.9922 0.0000 N 0 0 0.3253 -14.5360 0.0000 C 0 0 -0.4846 -14.7028 0.0000 C 0 0 -0.7436 -15.4840 0.0000 C 0 0 0.8725 -15.1466 0.0000 N 0 0 0.6186 -15.9275 0.0000 C 0 0 -0.1925 -16.0956 0.0000 C 0 0 -0.4515 -16.8791 0.0000 C 0 0 0.1023 -17.4953 0.0000 C 0 0 0.9140 -17.3227 0.0000 C 0 0 1.1678 -16.5393 0.0000 C 0 0 -1.7191 -13.9061 0.0000 C 0 0 3.2679 -12.0603 0.0000 O 0 0 3.9839 -12.4701 0.0000 C 0 0 3.9836 -13.2926 0.0000 N 0 0 4.6988 -13.7024 0.0000 C 0 0 5.4127 -13.2872 0.0000 C 0 0 5.4069 -12.4579 0.0000 N 0 0 4.6912 -12.0519 0.0000 C 0 0 4.6830 -11.2296 0.0000 C 0 0 5.3953 -10.8114 0.0000 C 0 0 5.3884 -9.9872 0.0000 N 0 0 4.6697 -9.5802 0.0000 C 0 0 3.9566 -10.0036 0.0000 N 0 0 3.9671 -10.8264 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 11 1 0 10 7 1 0 10 11 2 0 11 12 1 0 12 15 2 0 14 13 2 0 13 10 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 14 1 0 9 20 1 0 5 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 22 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 28 1 0 27 28 1 0 M END > CHEMBL3315040 > 0 $$$$ CHEMBL3315039 SciTegic12291823182D 33 38 0 0 0 0 999 V2000 12.2028 -2.5258 0.0000 C 0 0 12.2017 -3.3454 0.0000 C 0 0 12.9097 -3.7543 0.0000 C 0 0 13.6194 -3.3449 0.0000 C 0 0 13.6165 -2.5222 0.0000 C 0 0 12.9079 -2.1170 0.0000 C 0 0 11.4936 -3.7534 0.0000 C 0 0 10.7477 -3.4177 0.0000 C 0 0 10.2004 -4.0246 0.0000 N 0 0 11.4079 -4.5633 0.0000 C 0 0 10.6082 -4.7286 0.0000 C 0 0 10.3530 -5.5023 0.0000 C 0 0 11.9499 -5.1681 0.0000 N 0 0 11.6985 -5.9417 0.0000 C 0 0 10.8967 -6.1081 0.0000 C 0 0 10.6415 -6.8843 0.0000 C 0 0 11.1871 -7.4946 0.0000 C 0 0 11.9911 -7.3236 0.0000 C 0 0 12.2425 -6.5477 0.0000 C 0 0 9.3877 -3.9394 0.0000 C 0 0 14.3227 -2.1110 0.0000 O 0 0 15.0319 -2.5169 0.0000 C 0 0 15.0317 -3.3318 0.0000 N 0 0 15.7401 -3.7376 0.0000 C 0 0 16.4472 -3.3263 0.0000 C 0 0 16.4415 -2.5049 0.0000 N 0 0 15.7325 -2.1027 0.0000 C 0 0 15.7244 -1.2882 0.0000 C 0 0 16.4301 -0.8739 0.0000 C 0 0 16.4231 -0.0575 0.0000 C 0 0 15.7112 0.3478 0.0000 N 0 0 15.0049 -0.0738 0.0000 C 0 0 15.0153 -0.8888 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 7 8 2 0 8 9 1 0 9 11 1 0 10 7 1 0 10 11 2 0 11 12 1 0 12 15 2 0 14 13 2 0 13 10 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 14 1 0 9 20 1 0 5 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 22 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 28 1 0 27 28 1 0 M END > CHEMBL3315039 > 0 $$$$ CHEMBL3315035 SciTegic12291823182D 33 38 0 0 0 0 999 V2000 2.4006 -20.9952 0.0000 C 0 0 2.3995 -21.8147 0.0000 C 0 0 3.1075 -22.2237 0.0000 C 0 0 3.8172 -21.8142 0.0000 C 0 0 3.8144 -20.9916 0.0000 C 0 0 3.1057 -20.5863 0.0000 C 0 0 1.6915 -22.2227 0.0000 C 0 0 4.5255 -22.2217 0.0000 O 0 0 5.2326 -21.8120 0.0000 C 0 0 5.9376 -22.2199 0.0000 N 0 0 6.6442 -21.8109 0.0000 C 0 0 6.6434 -20.9928 0.0000 C 0 0 5.9300 -20.5855 0.0000 C 0 0 5.2264 -20.9969 0.0000 N 0 0 0.9456 -21.8871 0.0000 C 0 0 0.3983 -22.4939 0.0000 N 0 0 5.9236 -19.7715 0.0000 N 0 0 1.6058 -23.0326 0.0000 C 0 0 0.8061 -23.1979 0.0000 C 0 0 0.5509 -23.9716 0.0000 C 0 0 2.1478 -23.6375 0.0000 N 0 0 1.8963 -24.4110 0.0000 C 0 0 1.0945 -24.5775 0.0000 C 0 0 0.8393 -25.3536 0.0000 C 0 0 1.3849 -25.9640 0.0000 C 0 0 2.1889 -25.7930 0.0000 C 0 0 2.4404 -25.0170 0.0000 C 0 0 -0.4192 -22.4088 0.0000 C 0 0 6.6265 -19.3627 0.0000 C 0 0 6.6204 -18.5495 0.0000 C 0 0 5.9117 -18.1472 0.0000 O 0 0 5.2076 -18.5641 0.0000 C 0 0 5.2171 -19.3760 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 7 15 2 0 15 16 1 0 16 19 1 0 18 7 1 0 13 17 1 0 18 19 2 0 19 20 1 0 20 23 2 0 22 21 2 0 21 18 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 22 1 0 16 28 1 0 17 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 17 1 0 M END > CHEMBL3315035 > 0 $$$$ CHEMBL3315034 SciTegic12291823182D 33 38 0 0 0 0 999 V2000 11.7529 -11.3911 0.0000 C 0 0 11.7518 -12.2106 0.0000 C 0 0 12.4598 -12.6196 0.0000 C 0 0 13.1695 -12.2102 0.0000 C 0 0 13.1667 -11.3875 0.0000 C 0 0 12.4580 -10.9823 0.0000 C 0 0 11.0438 -12.6187 0.0000 C 0 0 13.8778 -12.6177 0.0000 O 0 0 14.5849 -12.2080 0.0000 C 0 0 15.2899 -12.6159 0.0000 N 0 0 15.9965 -12.2069 0.0000 C 0 0 15.9957 -11.3888 0.0000 C 0 0 15.2823 -10.9815 0.0000 C 0 0 14.5787 -11.3928 0.0000 N 0 0 10.2979 -12.2830 0.0000 C 0 0 9.7506 -12.8899 0.0000 N 0 0 15.2759 -10.1674 0.0000 C 0 0 10.9581 -13.4286 0.0000 C 0 0 10.1584 -13.5938 0.0000 C 0 0 9.9032 -14.3676 0.0000 C 0 0 11.5001 -14.0334 0.0000 N 0 0 11.2486 -14.8069 0.0000 C 0 0 10.4468 -14.9734 0.0000 C 0 0 10.1916 -15.7495 0.0000 C 0 0 10.7372 -16.3599 0.0000 C 0 0 11.5412 -16.1889 0.0000 C 0 0 11.7927 -15.4130 0.0000 C 0 0 8.9378 -12.8047 0.0000 C 0 0 15.9788 -9.7587 0.0000 C 0 0 15.9727 -8.9454 0.0000 N 0 0 15.2640 -8.5431 0.0000 C 0 0 14.5599 -8.9601 0.0000 N 0 0 14.5695 -9.7720 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 7 15 2 0 15 16 1 0 16 19 1 0 18 7 1 0 13 17 1 0 18 19 2 0 19 20 1 0 20 23 2 0 22 21 2 0 21 18 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 22 1 0 16 28 1 0 17 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 17 1 0 M END > CHEMBL3315034 > 0 $$$$ CHEMBL3315031 SciTegic12291823182D 32 37 0 0 0 0 999 V2000 3.8410 -2.6373 0.0000 C 0 0 3.8399 -3.4568 0.0000 C 0 0 4.5479 -3.8658 0.0000 C 0 0 5.2576 -3.4563 0.0000 C 0 0 5.2548 -2.6337 0.0000 C 0 0 4.5461 -2.2284 0.0000 C 0 0 3.1319 -3.8648 0.0000 C 0 0 5.9659 -3.8638 0.0000 O 0 0 6.6730 -3.4541 0.0000 C 0 0 7.3780 -3.8620 0.0000 N 0 0 8.0846 -3.4530 0.0000 C 0 0 8.0838 -2.6349 0.0000 C 0 0 7.3704 -2.2276 0.0000 C 0 0 6.6668 -2.6390 0.0000 N 0 0 2.3860 -3.5292 0.0000 C 0 0 1.8387 -4.1360 0.0000 N 0 0 7.3640 -1.4136 0.0000 C 0 0 8.0227 -0.9299 0.0000 C 0 0 7.7662 -0.1540 0.0000 N 0 0 6.9490 -0.1581 0.0000 N 0 0 6.7005 -0.9366 0.0000 C 0 0 3.0462 -4.6747 0.0000 C 0 0 2.2465 -4.8400 0.0000 C 0 0 1.9913 -5.6137 0.0000 C 0 0 3.5882 -5.2795 0.0000 N 0 0 3.3367 -6.0531 0.0000 C 0 0 2.5349 -6.2196 0.0000 C 0 0 2.2797 -6.9957 0.0000 C 0 0 2.8253 -7.6060 0.0000 C 0 0 3.6293 -7.4350 0.0000 C 0 0 3.8808 -6.6591 0.0000 C 0 0 1.0259 -4.0509 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 2 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 7 15 2 0 15 16 1 0 16 23 1 0 22 7 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 17 1 0 13 17 1 0 22 23 2 0 23 24 1 0 24 27 2 0 26 25 2 0 25 22 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 16 32 1 0 M END > CHEMBL3315031 > 0 $$$$ CHEMBL3393462 SciTegic12291823182D 29 34 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 N 0 0 -2.0045 -1.1298 0.0000 C 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 2 0 2 12 1 0 3 13 1 0 6 14 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 15 19 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 21 25 1 0 26 27 1 0 27 28 2 0 28 29 1 0 24 29 2 0 23 26 2 0 20 21 1 0 19 20 1 0 4 16 1 0 M END > CHEMBL3393462 > 0 $$$$ CHEMBL3393467 SciTegic12291823182D 33 38 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.8792 0.0850 0.0000 C 0 0 -2.0045 -1.1298 0.0000 S 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 -4.3175 4.1700 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 2 0 12 13 1 0 2 11 1 0 3 13 1 0 14 15 2 0 14 16 1 0 11 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 23 24 1 0 22 23 1 0 4 19 1 0 16 33 1 0 M END > CHEMBL3393467 > 0 $$$$ CHEMBL3393469 SciTegic12291823182D 34 39 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 23 24 1 0 22 23 1 0 4 19 1 0 33 34 1 0 16 33 1 0 M END > CHEMBL3393469 > 0 $$$$ CHEMBL3393471 SciTegic12291823182D 32 37 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -3.6477 2.9686 0.0000 O 0 0 -1.6734 3.6176 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 23 24 1 0 22 23 1 0 4 19 1 0 M END > CHEMBL3393471 > 0 $$$$ CHEMBL3393472 SciTegic12291823182D 36 39 0 0 0 0 999 V2000 1.3000 0.7500 0.0000 O 0 0 22.2548 0.3750 0.0000 Cl 0 0 11.6973 3.2896 0.0000 N 0 0 10.3974 2.5364 0.0000 C 0 0 10.3974 1.0300 0.0000 C 0 0 11.6973 0.2768 0.0000 C 0 0 12.9729 1.0300 0.0000 C 0 0 14.2850 0.2768 0.0000 C 0 0 15.5849 1.0300 0.0000 C 0 0 15.5849 2.5364 0.0000 N 0 0 14.2850 3.2896 0.0000 C 0 0 12.9729 2.5364 0.0000 C 0 0 8.1014 1.7832 0.0000 N 0 0 8.9761 2.9980 0.0000 C 0 0 8.9761 0.5683 0.0000 C 0 0 8.5075 4.4211 0.0000 C 0 0 9.3072 5.3158 0.0000 O 0 0 7.0384 4.7283 0.0000 O 0 0 14.2874 -0.9232 0.0000 O 0 0 12.9154 -2.0856 0.0000 O 0 0 11.7035 -1.2240 0.0000 C 0 0 10.4884 -2.0816 0.0000 C 0 0 10.9496 -3.5090 0.0000 C 0 0 12.4496 -3.5114 0.0000 C 0 0 13.3307 -4.7232 0.0000 S 0 0 14.8234 -4.5666 0.0000 C 0 0 15.7885 -5.6653 0.0000 N 0 0 17.1599 -5.0741 0.0000 C 0 0 17.0153 -3.5861 0.0000 C 0 0 15.5558 -3.2700 0.0000 N 0 0 18.5223 -5.7110 0.0000 C 0 0 19.7548 -4.8219 0.0000 C 0 0 19.6102 -3.3339 0.0000 C 0 0 18.2296 -2.6987 0.0000 C 0 0 6.5690 6.1538 0.0000 C 0 0 5.3944 6.3995 0.0000 C 0 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 3 12 1 0 7 12 2 0 13 14 1 0 13 15 1 0 4 14 2 0 5 15 2 0 16 17 2 0 16 18 1 0 14 16 1 0 8 19 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 20 24 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 26 30 1 0 31 32 1 0 32 33 2 0 33 34 1 0 29 34 2 0 28 31 2 0 25 26 1 0 24 25 1 0 6 21 1 0 35 36 1 0 18 35 1 0 M END > CHEMBL3393472 > 0 $$$$ CHEMBL3393483 SciTegic12291823182D 35 40 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 7.6542 -8.6039 0.0000 N 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 29 33 1 0 23 24 1 0 22 23 1 0 4 19 1 0 34 35 1 0 16 34 1 0 M END > CHEMBL3393483 > 0 $$$$ CHEMBL3393484 SciTegic12291823182D 36 41 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 5.9025 1.5913 0.0000 C 0 0 5.9009 2.7913 0.0000 C 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 8 18 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 20 24 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 26 30 1 0 31 32 1 0 32 33 2 0 33 34 1 0 29 34 2 0 28 31 2 0 25 26 1 0 24 25 1 0 4 21 1 0 35 36 1 0 16 35 1 0 M END > CHEMBL3393484 > 0 $$$$ CHEMBL3393485 SciTegic12291823182D 39 43 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1 0 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 5.9025 1.5913 0.0000 C 0 0 6.9428 0.9930 0.0000 O 0 0 5.9004 3.0921 0.0000 C 0 0 6.9384 3.6942 0.0000 N 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 11.2742 -1.3231 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 23 24 1 0 22 23 1 0 4 19 1 1 33 34 2 0 33 35 1 0 35 36 1 0 8 33 1 0 37 38 1 0 16 37 1 0 M END > CHEMBL3393485 > 0 $$$$ CHEMBL3393486 SciTegic12291823182D 40 44 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1 0 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 7.6542 -8.6039 0.0000 F 0 0 5.9025 1.5913 0.0000 C 0 0 6.9428 0.9930 0.0000 O 0 0 5.9004 3.0921 0.0000 C 0 0 6.9384 3.6942 0.0000 N 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 11.2742 -2.0702 0.0000 Cl 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 29 33 1 0 23 24 1 0 22 23 1 0 4 19 1 1 34 35 2 0 34 36 1 0 36 37 1 0 8 34 1 0 38 39 1 0 16 38 1 0 M END > CHEMBL3393486 > 0 $$$$ CHEMBL3393487 SciTegic12291823182D 35 40 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 7.1293 -3.2028 0.0000 Cl 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 32 33 1 0 23 24 1 0 22 23 1 0 4 19 1 0 34 35 1 0 16 34 1 0 M END > CHEMBL3393487 > 0 $$$$ CHEMBL3393488 SciTegic12291823182D 35 40 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 7.6542 -8.6039 0.0000 F 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 1 0 24 28 1 0 29 30 1 0 30 31 2 0 31 32 1 0 27 32 2 0 26 29 2 0 29 33 1 0 23 24 1 0 22 23 1 0 4 19 1 0 34 35 1 0 16 34 1 0 M END > CHEMBL3393488 > 0 $$$$ CHEMBL3393489 SciTegic12291823182D 36 41 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 4.5768 2.0379 0.0000 C 0 0 5.6286 0.2131 0.0000 C 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 8 18 1 0 8 19 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 20 24 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 26 30 1 0 31 32 1 0 32 33 2 0 33 34 1 0 29 34 2 0 28 31 2 0 25 26 1 0 24 25 1 0 4 21 1 0 35 36 1 0 16 35 1 0 M END > CHEMBL3393489 > 0 $$$$ CHEMBL3393490 SciTegic12291823182D 41 46 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 5.9025 1.5913 0.0000 C 0 0 6.9428 0.9930 0.0000 O 0 0 5.9004 3.0921 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 7.1987 3.8451 0.0000 C 0 0 7.1970 5.0451 0.0000 C 0 0 8.2389 3.2469 0.0000 C 0 0 8.2370 4.4467 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 17 18 2 0 17 19 1 0 8 17 1 0 6 20 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 21 25 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 27 31 1 0 32 33 1 0 33 34 2 0 34 35 1 0 30 35 2 0 29 32 2 0 26 27 1 0 25 26 1 0 4 22 1 0 36 37 1 0 16 36 1 0 38 39 1 0 38 41 1 0 38 40 1 0 19 38 1 0 M END > CHEMBL3393490 > 0 $$$$ CHEMBL3393491 SciTegic12291823182D 41 47 0 0 0 0 999 V2000 0.7168 1.5915 0.0000 N 0 0 -0.5831 0.8382 0.0000 C 0 0 -0.5831 -0.6682 0.0000 C 0 0 0.7168 -1.4214 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 N 0 0 3.3044 1.5915 0.0000 C 0 0 1.9924 0.8382 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.4731 2.7230 0.0000 C 0 0 -1.6734 3.6176 0.0000 O 0 0 -3.9422 3.0302 0.0000 O 0 0 3.3068 -2.6214 0.0000 O 0 0 5.9025 1.5913 0.0000 C 0 0 5.9004 3.0921 0.0000 C 0 0 7.1969 3.8466 0.0000 C 0 0 7.1918 5.3466 0.0000 C 0 0 5.8902 6.0922 0.0000 C 0 0 4.5937 5.3377 0.0000 C 0 0 4.5988 3.8377 0.0000 C 0 0 1.9349 -3.7838 0.0000 O 0 0 0.7229 -2.9221 0.0000 C 0 0 -0.4922 -3.7798 0.0000 C 0 0 -0.0310 -5.2071 0.0000 C 0 0 1.4690 -5.2096 0.0000 C 0 0 2.3502 -6.4213 0.0000 S 0 0 3.8428 -6.2647 0.0000 C 0 0 4.8079 -7.3634 0.0000 N 0 0 6.1793 -6.7722 0.0000 C 0 0 6.0347 -5.2842 0.0000 C 0 0 4.5752 -4.9681 0.0000 N 0 0 7.5417 -7.4092 0.0000 C 0 0 8.7742 -6.5201 0.0000 C 0 0 8.6296 -5.0320 0.0000 C 0 0 7.2490 -4.3969 0.0000 C 0 0 -4.4115 4.4557 0.0000 C 0 0 -5.5861 4.7013 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 1 10 1 0 5 10 2 0 11 12 1 0 11 13 1 0 2 12 2 0 3 13 2 0 14 15 2 0 14 16 1 0 12 14 1 0 6 17 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 19 24 2 0 8 18 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 25 29 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 31 35 1 0 36 37 1 0 37 38 2 0 38 39 1 0 34 39 2 0 33 36 2 0 30 31 1 0 29 30 1 0 4 26 1 0 40 41 1 0 16 40 1 0 M END > CHEMBL3393491 > 0 $$$$ CHEMBL3393204 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 4.0872 0.0382 0.0000 C 0 0 4.7008 -0.9930 0.0000 O 0 0 4.8208 1.3475 0.0000 C 0 0 6.3207 1.3698 0.0000 C 0 0 7.0514 2.6798 0.0000 C 0 0 6.2823 3.9676 0.0000 C 0 0 4.7825 3.9454 0.0000 C 0 0 4.0518 2.6354 0.0000 C 0 0 7.0107 5.2798 0.0000 O 0 0 6.2393 6.5672 0.0000 C 0 0 6.9654 7.8798 0.0000 C 0 0 6.1918 9.1649 0.0000 C 0 0 4.6921 9.1376 0.0000 C 0 0 3.9659 7.8251 0.0000 C 0 0 4.7395 6.5399 0.0000 N 0 0 8.4659 7.9072 0.0000 C 0 0 9.2417 6.6233 0.0000 C 0 0 10.7414 6.6531 0.0000 N 0 0 11.4655 7.9668 0.0000 C 0 0 10.6898 9.2507 0.0000 C 0 0 9.1901 9.2209 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 1 2 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 3 8 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 10 15 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 16 21 2 0 11 16 1 0 9 10 1 0 6 9 1 0 1 3 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 22 26 2 0 27 28 1 0 28 29 2 0 29 30 1 0 24 30 2 0 25 27 2 0 23 31 1 0 1 22 1 0 M END > CHEMBL3393204 > 0 $$$$ CHEMBL3393195 SciTegic12291823182D 35 39 0 0 0 0 999 V2000 -1.2760 -7.4990 0.0000 N 0 0 0.0245 -8.2466 0.0000 C 0 0 0.0274 -9.7466 0.0000 C 0 0 -1.2702 -10.4991 0.0000 C 0 0 -2.5707 -9.7516 0.0000 C 0 0 -2.5736 -8.2516 0.0000 C 0 0 -0.2160 -11.0724 0.0000 O 0 0 -2.6005 -12.7112 0.0000 C 0 0 -2.5682 -11.2116 0.0000 C 0 0 -3.8507 -10.4337 0.0000 C 0 0 -5.1656 -11.1555 0.0000 C 0 0 -5.1980 -12.6552 0.0000 C 0 0 -3.9154 -13.4330 0.0000 N 0 0 -6.2499 -13.2326 0.0000 F 0 0 -1.2813 -5.9982 0.0000 C 0 0 0.0151 -5.2437 0.0000 C 0 0 0.0099 -3.7437 0.0000 C 0 0 -1.2919 -2.9980 0.0000 C 0 0 -2.5882 -3.7528 0.0000 C 0 0 -2.5829 -5.2528 0.0000 N 0 0 1.0565 -5.8400 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3.8911 1.5017 0.0000 O 0 0 3.8894 2.7017 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8894 -2.7017 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 1 0 4 7 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 12 14 1 0 4 9 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 15 20 2 0 16 21 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 22 31 2 0 26 31 1 0 32 33 1 0 29 32 1 0 34 35 1 0 28 34 1 0 18 25 1 0 1 15 1 0 M END > CHEMBL3393195 > 1 $$$$ CHEMBL3393194 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -1.2760 -7.4990 0.0000 N 0 0 0.0245 -8.2466 0.0000 C 0 0 0.0274 -9.7466 0.0000 C 0 0 -1.2702 -10.4991 0.0000 C 0 0 -2.5707 -9.7516 0.0000 C 0 0 -2.5736 -8.2516 0.0000 C 0 0 -0.2160 -11.0724 0.0000 O 0 0 -2.6005 -12.7112 0.0000 C 0 0 -2.5682 -11.2116 0.0000 C 0 0 -3.8507 -10.4337 0.0000 C 0 0 -5.1656 -11.1555 0.0000 C 0 0 -5.1980 -12.6552 0.0000 C 0 0 -3.9154 -13.4330 0.0000 N 0 0 -1.2813 -5.9982 0.0000 C 0 0 0.0151 -5.2437 0.0000 C 0 0 0.0099 -3.7437 0.0000 C 0 0 -1.2919 -2.9980 0.0000 C 0 0 -2.5882 -3.7528 0.0000 C 0 0 -2.5829 -5.2528 0.0000 N 0 0 1.0565 -5.8400 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 -2.6111 0.7486 0.0000 N 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 3.8911 1.5017 0.0000 O 0 0 3.8894 2.7017 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8894 -2.7017 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 1 6 1 0 4 7 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 8 13 2 0 4 9 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 14 19 2 0 15 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 21 30 2 0 25 30 1 0 31 32 1 0 28 31 1 0 33 34 1 0 27 33 1 0 17 24 1 0 1 14 1 0 M END > CHEMBL3393194 > 1 $$$$ CHEMBL3401745 SciTegic12291823182D 34 36 0 0 0 0 999 V2000 -7.5100 0.4640 0.0000 O 0 0 -7.5131 -0.7360 0.0000 S 0 0 -8.5507 -0.1331 0.0000 O 0 0 -2.3155 0.7475 0.0000 N 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 N 0 0 1.7138 1.2033 0.0000 N 0 0 -3.6168 -1.4950 0.0000 C 0 0 -3.6203 -2.9951 0.0000 C 0 0 -4.9210 -3.7422 0.0000 C 0 0 -6.2184 -2.9893 0.0000 C 0 0 -6.2150 -1.4893 0.0000 C 0 0 -4.9143 -0.7422 0.0000 C 0 0 -2.3239 -3.7513 0.0000 O 0 0 -2.3295 -5.2521 0.0000 C 0 0 -1.2929 -5.8566 0.0000 C 0 0 -8.8150 -1.4826 0.0000 N 0 0 -10.1130 -0.7293 0.0000 C 0 0 -11.4150 -1.4759 0.0000 C 0 0 -12.7130 -0.7226 0.0000 C 0 0 -14.0149 -1.4693 0.0000 C 0 0 -15.3130 -0.7159 0.0000 C 0 0 -16.6149 -1.4626 0.0000 C 0 0 -17.6528 -0.8603 0.0000 O 0 0 -0.9991 2.7132 0.0000 O 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.0330 -4.0684 0.0000 C 0 0 2.0825 2.3453 0.0000 C 0 0 2 1 2 0 3 2 2 0 4 5 1 0 5 6 2 0 6 9 1 0 8 7 1 0 7 4 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 13 1 0 5 13 1 0 14 19 1 0 19 20 1 0 20 21 1 0 17 2 1 0 2 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 7 30 2 0 10 31 1 0 31 32 1 0 32 33 1 0 12 34 1 0 M END > CHEMBL3401745 > 1 $$$$ CHEMBL192 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 2.1000 -0.0042 0.0000 C 0 0 2.1000 0.7000 0.0000 C 0 0 -1.5375 -0.0042 0.0000 S 0 0 1.4917 -0.3667 0.0000 N 0 0 0.8792 -0.0042 0.0000 C 0 0 2.8042 0.9083 0.0000 N 0 0 1.4917 1.0625 0.0000 C 0 0 0.8792 0.6833 0.0000 N 0 0 3.2042 0.3458 0.0000 N 0 0 2.8042 -0.2417 0.0000 C 0 0 0.2875 -0.3750 0.0000 C 0 0 -2.1583 -0.3750 0.0000 N 0 0 -0.9333 -0.3750 0.0000 C 0 0 -0.3208 -0.0333 0.0000 C 0 0 -1.1875 0.6083 0.0000 O 0 0 -1.8958 0.6083 0.0000 O 0 0 -3.3958 -1.0917 0.0000 N 0 0 -2.7833 -0.0042 0.0000 C 0 0 -2.1583 -1.0917 0.0000 C 0 0 0.2875 -1.1125 0.0000 C 0 0 1.4917 1.7708 0.0000 O 0 0 -0.9333 -1.1125 0.0000 C 0 0 -0.3208 -1.4542 0.0000 C 0 0 -3.3958 -0.3750 0.0000 C 0 0 -2.7833 -1.4417 0.0000 C 0 0 3.0750 1.5750 0.0000 C 0 0 2.8042 -0.9500 0.0000 C 0 0 0.8792 -1.4542 0.0000 O 0 0 -3.9958 -1.4292 0.0000 C 0 0 1.4958 -1.1000 0.0000 C 0 0 3.4167 -1.3125 0.0000 C 0 0 2.1125 -1.4500 0.0000 C 0 0 4.0375 -0.9542 0.0000 C 0 0 2 1 2 0 3 13 1 0 4 1 1 0 5 4 2 0 6 2 1 0 7 2 1 0 8 5 1 0 9 10 2 0 10 1 1 0 11 5 1 0 12 3 1 0 13 14 2 0 14 11 1 0 15 3 2 0 16 3 2 0 17 25 1 0 18 12 1 0 19 12 1 0 20 11 2 0 21 7 2 0 22 23 2 0 23 20 1 0 24 18 1 0 25 19 1 0 26 6 1 0 27 10 1 0 28 20 1 0 29 17 1 0 30 28 1 0 31 27 1 0 32 30 1 0 33 31 1 0 9 6 1 0 8 7 1 0 22 13 1 0 17 24 1 0 M END > CHEMBL192 > 0 $$$$ CHEMBL3403372 SciTegic12291823182D 29 32 0 0 0 0 999 V2000 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 -1.4919 0.0000 C 0 0 -3.6251 -2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 N 0 0 -3.6267 2.9927 0.0000 C 0 0 -4.6688 3.5878 0.0000 C 0 0 -2.5905 3.5979 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.3751 3.8801 0.0000 C 0 0 2.3406 5.0280 0.0000 N 0 0 3.7308 4.4644 0.0000 C 0 0 3.6243 2.9682 0.0000 C 0 0 1.9829 6.4829 0.0000 C 0 0 3.0653 7.5227 0.0000 C 0 0 0.8304 6.8171 0.0000 O 0 0 2.7093 8.9798 0.0000 C 0 0 3.7931 10.0168 0.0000 C 0 0 5.2331 9.5966 0.0000 C 0 0 5.5892 8.1395 0.0000 C 0 0 4.5053 7.1025 0.0000 N 0 0 5 1 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 6 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 4 10 2 0 3 11 1 0 11 12 1 0 2 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 9 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 17 1 0 19 22 1 0 22 23 1 0 22 24 2 0 23 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 23 1 0 M END > CHEMBL3403372 > 1 $$$$ CHEMBL3403373 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 -1.4919 0.0000 C 0 0 -3.6251 -2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 N 0 0 -3.6267 2.9927 0.0000 C 0 0 -4.6688 3.5878 0.0000 C 0 0 -2.5905 3.5979 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.3751 3.8801 0.0000 C 0 0 2.3406 5.0280 0.0000 N 0 0 3.7308 4.4644 0.0000 C 0 0 3.6243 2.9682 0.0000 C 0 0 1.9829 6.4829 0.0000 C 0 0 3.0653 7.5227 0.0000 C 0 0 0.8304 6.8171 0.0000 O 0 0 2.7093 8.9798 0.0000 C 0 0 3.7931 10.0168 0.0000 C 0 0 5.2331 9.5966 0.0000 C 0 0 5.5892 8.1395 0.0000 C 0 0 4.5053 7.1025 0.0000 N 0 0 1.5573 9.3160 0.0000 C 0 0 5 1 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 6 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 4 10 2 0 3 11 1 0 11 12 1 0 2 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 9 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 17 1 0 19 22 1 0 22 23 1 0 22 24 2 0 23 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 23 1 0 25 30 1 0 M END > CHEMBL3403373 > 1 $$$$ CHEMBL3403346 SciTegic12291823182D 30 33 0 0 0 0 999 V2000 -1.0028 1.5132 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6187 -1.4919 0.0000 C 0 0 -3.6251 -2.6919 0.0000 C 0 0 -3.6187 1.4919 0.0000 N 0 0 -3.6267 2.9927 0.0000 C 0 0 -4.6688 3.5878 0.0000 C 0 0 -2.5905 3.5979 0.0000 C 0 0 2.1749 2.6315 0.0000 C 0 0 1.3751 3.8801 0.0000 C 0 0 2.3406 5.0280 0.0000 N 0 0 3.7308 4.4644 0.0000 C 0 0 3.6243 2.9682 0.0000 C 0 0 1.9829 6.4829 0.0000 C 0 0 3.0653 7.5227 0.0000 C 0 0 0.8304 6.8171 0.0000 O 0 0 2.7093 8.9798 0.0000 C 0 0 3.7931 10.0168 0.0000 C 0 0 5.2331 9.5966 0.0000 C 0 0 5.5892 8.1395 0.0000 C 0 0 4.5053 7.1025 0.0000 N 0 0 6.7411 7.8033 0.0000 C 0 0 5 1 1 0 1 2 2 0 2 3 1 0 3 4 1 0 4 6 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 4 10 2 0 3 11 1 0 11 12 1 0 2 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 9 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 17 1 0 19 22 1 0 22 23 1 0 22 24 2 0 23 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 23 1 0 28 30 1 0 M END > CHEMBL3403346 > 1 $$$$ CHEMBL3601563 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -2.3272 3.6028 0.0000 C 0 0 -3.9122 1.4966 0.0000 O 0 0 -4.9506 0.8952 0.0000 C 0 0 1.2964 -2.9980 0.0000 C 0 0 1 0 0 0 0.0817 -3.8599 0.0000 C 0 0 0.5391 -5.2603 0.0000 C 0 0 2.5032 -3.8565 0.0000 C 0 0 2.0324 -5.2755 0.0000 C 0 0 3.0199 -6.4099 0.0000 C 0 0 4.5069 -6.0965 0.0000 C 0 0 4.9777 -4.6775 0.0000 C 0 0 3.9729 -3.5374 0.0000 C 0 0 6.1535 -4.4380 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 5 1 0 4 11 1 0 11 12 1 0 1 13 1 0 13 14 1 0 15 7 1 6 15 16 1 0 16 17 1 0 17 19 1 0 18 15 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 22 24 1 0 M END > CHEMBL3601563 > 0 $$$$ CHEMBL3614045 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0031 3.0008 0.0000 O 0 0 1.0432 3.5994 0.0000 C 0 0 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 16 22 1 0 22 23 1 0 M END > CHEMBL3614045 > 0 $$$$ CHEMBL3614044 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.6003 1.4978 0.0000 O 0 0 3.6387 0.8963 0.0000 C 0 0 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 21 22 1 0 22 23 1 0 M END > CHEMBL3614044 > 0 $$$$ CHEMBL3614043 SciTegic12291823182D 23 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 O 0 0 2.5956 -2.7031 0.0000 C 0 0 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 1 22 1 0 22 23 1 0 M END > CHEMBL3614043 > 0 $$$$ CHEMBL3614042 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 2.7000 0.0000 C 0 0 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 16 22 1 0 M END > CHEMBL3614042 > 1 $$$$ CHEMBL3614041 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 1.3500 0.0000 C 0 0 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 21 22 1 0 M END > CHEMBL3614041 > 1 $$$$ CHEMBL3614031 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.3383 -1.3500 0.0000 C 0 0 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 1 22 1 0 M END > CHEMBL3614031 > 1 $$$$ CHEMBL3614040 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5972 -1.5031 0.0000 N 0 3 -2.5955 -2.7031 0.0000 O 0 0 -3.6375 -0.9049 0.0000 O 0 5 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 22 23 2 0 22 24 1 0 17 22 1 0 M CHG 2 22 1 24 -1 M END > CHEMBL3614040 > 1 $$$$ CHEMBL3614039 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.6003 1.4978 0.0000 N 0 3 3.6387 0.8963 0.0000 O 0 0 2.6024 2.6978 0.0000 O 0 5 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 22 23 2 0 22 24 1 0 21 22 1 0 M CHG 2 22 1 24 -1 M END > CHEMBL3614039 > 1 $$$$ CHEMBL3614038 SciTegic12291823182D 24 27 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 -6.5731 6.3051 0.0000 C 0 0 -2.7390 2.9810 0.0000 N 0 0 -6.2977 4.8306 0.0000 N 0 0 -4.1664 5.9915 0.0000 C 0 0 -4.8193 4.6606 0.0000 N 0 0 -2.5987 1.5004 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -6.2335 9.4285 0.0000 N 0 0 -4.1995 10.7526 0.0000 N 0 0 -5.0619 8.5108 0.0000 C 0 0 -5.2558 7.0226 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -4.9546 1.9903 0.0000 S 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -5.6975 10.8294 0.0000 N 0 0 -3.8096 9.3041 0.0000 N 0 0 -4.2067 3.2905 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 3 2.5956 -2.7031 0.0000 O 0 0 3.6375 -0.9049 0.0000 O 0 5 12 5 2 0 12 11 1 0 6 5 1 0 19 11 1 0 20 3 2 0 7 14 1 0 14 17 2 0 8 17 1 0 16 21 2 0 6 4 1 0 3 7 1 0 7 13 2 0 19 10 1 0 9 11 2 0 15 20 1 0 21 1 1 0 10 18 2 0 15 13 1 0 18 9 1 0 4 2 2 0 20 6 1 0 2 12 1 0 1 8 2 0 14 16 1 0 22 23 2 0 22 24 1 0 1 22 1 0 M CHG 2 22 1 24 -1 M END > CHEMBL3614038 > 1 $$$$ CHEMBL3614037 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 S 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.4458 -1.8433 0.0000 N 0 0 7.5066 -2.8789 0.0000 N 0 0 8.8261 -2.1656 0.0000 C 0 0 8.5555 -0.6902 0.0000 C 0 0 7.0687 -0.4917 0.0000 C 0 0 9.1866 1.8289 0.0000 N 0 0 10.4463 2.6433 0.0000 N 0 0 11.6101 1.6969 0.0000 N 0 0 11.0697 0.2976 0.0000 N 0 0 9.5905 0.3965 0.0000 C 0 0 2.3383 1.3500 0.0000 F 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 4 6 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 12 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 17 21 1 0 15 21 1 0 2 12 1 0 7 22 1 0 M END > CHEMBL3614037 > 1 $$$$ CHEMBL3614036 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 S 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.4458 -1.8433 0.0000 N 0 0 7.5066 -2.8789 0.0000 N 0 0 8.8261 -2.1656 0.0000 C 0 0 8.5555 -0.6902 0.0000 C 0 0 7.0687 -0.4917 0.0000 C 0 0 9.1866 1.8289 0.0000 N 0 0 10.4463 2.6433 0.0000 N 0 0 11.6101 1.6969 0.0000 N 0 0 11.0697 0.2976 0.0000 N 0 0 9.5905 0.3965 0.0000 C 0 0 0.0000 2.7000 0.0000 F 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 4 6 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 12 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 17 21 1 0 15 21 1 0 2 12 1 0 8 22 1 0 M END > CHEMBL3614036 > 1 $$$$ CHEMBL3614035 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 S 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.4458 -1.8433 0.0000 N 0 0 7.5066 -2.8789 0.0000 N 0 0 8.8261 -2.1656 0.0000 C 0 0 8.5555 -0.6902 0.0000 C 0 0 7.0687 -0.4917 0.0000 C 0 0 9.1866 1.8289 0.0000 N 0 0 10.4463 2.6433 0.0000 N 0 0 11.6101 1.6969 0.0000 N 0 0 11.0697 0.2976 0.0000 N 0 0 9.5905 0.3965 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 4 6 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 12 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 17 21 1 0 15 21 1 0 2 12 1 0 9 22 1 0 M END > CHEMBL3614035 > 1 $$$$ CHEMBL3614034 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 S 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.4458 -1.8433 0.0000 N 0 0 7.5066 -2.8789 0.0000 N 0 0 8.8261 -2.1656 0.0000 C 0 0 8.5555 -0.6902 0.0000 C 0 0 7.0687 -0.4917 0.0000 C 0 0 9.1866 1.8289 0.0000 N 0 0 10.4463 2.6433 0.0000 N 0 0 11.6101 1.6969 0.0000 N 0 0 11.0697 0.2976 0.0000 N 0 0 9.5905 0.3965 0.0000 C 0 0 2.3383 1.3500 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 4 6 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 12 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 17 21 1 0 15 21 1 0 2 12 1 0 7 22 1 0 M END > CHEMBL3614034 > 1 $$$$ CHEMBL3614032 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 S 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.4458 -1.8433 0.0000 N 0 0 7.5066 -2.8789 0.0000 N 0 0 8.8261 -2.1656 0.0000 C 0 0 8.5555 -0.6902 0.0000 C 0 0 7.0687 -0.4917 0.0000 C 0 0 9.1866 1.8289 0.0000 N 0 0 10.4463 2.6433 0.0000 N 0 0 11.6101 1.6969 0.0000 N 0 0 11.0697 0.2976 0.0000 N 0 0 9.5905 0.3965 0.0000 C 0 0 0.0000 2.7000 0.0000 Cl 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 4 6 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 12 16 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 17 21 1 0 15 21 1 0 2 12 1 0 8 22 1 0 M END > CHEMBL3614032 > 1 $$$$ CHEMBL3614033 SciTegic12291823182D 22 25 0 0 0 0 999 V2000 4.2010 -3.2956 0.0000 S 0 0 4.9531 -1.9978 0.0000 C 0 0 3.9511 -0.8815 0.0000 N 0 0 2.5987 -1.5004 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.3383 1.3500 0.0000 Cl 0 0 6.4458 -1.8433 0.0000 N 0 0 7.5066 -2.8789 0.0000 N 0 0 8.8261 -2.1656 0.0000 C 0 0 8.5555 -0.6902 0.0000 C 0 0 7.0687 -0.4917 0.0000 C 0 0 9.1866 1.8289 0.0000 N 0 0 10.4463 2.6433 0.0000 N 0 0 11.6101 1.6969 0.0000 N 0 0 11.0697 0.2976 0.0000 N 0 0 9.5905 0.3965 0.0000 C 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 9 12 1 0 4 6 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 13 17 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 18 22 1 0 16 22 1 0 2 13 1 0 M END > CHEMBL3614033 > 1 $$$$ CHEMBL3628713 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 2 0 11 21 1 0 8 22 1 0 22 23 2 0 5 23 1 0 4 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 25 30 1 0 24 31 2 0 2 31 1 0 M END > CHEMBL3628713 > 0 $$$$ CHEMBL3628714 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 C 0 0 -2.3272 -3.6028 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 11 22 1 0 8 23 1 0 23 24 2 0 5 24 1 0 4 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 26 31 1 0 25 32 2 0 2 32 1 0 M END > CHEMBL3628714 > 1 $$$$ CHEMBL3628715 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 C 0 0 -2.5870 -3.7544 0.0000 C 0 0 -2.5812 -5.2552 0.0000 C 0 0 -3.6177 -5.8599 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 19 24 2 0 11 24 1 0 8 25 1 0 25 26 2 0 5 26 1 0 4 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 28 33 1 0 27 34 2 0 2 34 1 0 M END > CHEMBL3628715 > 0 $$$$ CHEMBL3628716 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 O 0 0 -2.5870 -3.7544 0.0000 C 0 0 -2.5812 -5.2552 0.0000 C 0 0 -3.6177 -5.8599 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 19 24 2 0 11 24 1 0 8 25 1 0 25 26 2 0 5 26 1 0 4 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 28 33 1 0 27 34 2 0 2 34 1 0 M END > CHEMBL3628716 > 0 $$$$ CHEMBL3628717 SciTegic12291823182D 35 39 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 C 0 0 -2.5870 -3.7544 0.0000 O 0 0 -2.5812 -5.2552 0.0000 C 0 0 -3.8775 -6.0115 0.0000 C 0 0 -3.8729 -7.2115 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 19 25 2 0 11 25 1 0 8 26 1 0 26 27 2 0 5 27 1 0 4 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 29 34 1 0 28 35 2 0 2 35 1 0 M END > CHEMBL3628717 > 1 $$$$ CHEMBL3628718 SciTegic12291823182D 37 41 0 0 0 0 999 V2000 -5.1634 9.4686 0.0000 F 0 0 -5.1681 8.2686 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -3.8775 6.0115 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 O 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -9.1024 -6.0070 0.0000 C 0 0 -10.4529 -5.3840 0.0000 N 0 0 -11.4582 -6.4973 0.0000 N 0 0 -12.6514 -6.3702 0.0000 C 0 0 -10.7100 -7.7974 0.0000 C 0 0 -9.2424 -7.4877 0.0000 C 0 0 -8.1226 -8.4868 0.0000 C 0 0 -6.6706 -8.1318 0.0000 C 0 0 -5.6342 -9.2162 0.0000 C 0 0 -6.0551 -10.6559 0.0000 N 0 0 -7.5124 -11.0113 0.0000 C 0 0 -8.5488 -9.9269 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 2 0 17 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 23 28 1 0 16 29 1 0 29 30 2 0 13 30 1 0 10 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 8 37 1 0 32 37 1 0 M END > CHEMBL3628718 > 0 $$$$ CHEMBL3628719 SciTegic12291823182D 40 44 0 0 0 0 999 V2000 -7.4892 12.6312 0.0000 F 0 0 -6.4527 12.0265 0.0000 C 0 0 -6.4586 10.5257 0.0000 C 0 0 -5.1622 9.7694 0.0000 O 0 0 -5.1681 8.2686 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -3.8775 6.0115 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 O 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -9.1024 -6.0070 0.0000 C 0 0 -10.4529 -5.3840 0.0000 N 0 0 -11.4582 -6.4973 0.0000 N 0 0 -12.6514 -6.3702 0.0000 C 0 0 -10.7100 -7.7974 0.0000 C 0 0 -9.2424 -7.4877 0.0000 C 0 0 -8.1226 -8.4868 0.0000 C 0 0 -6.6706 -8.1318 0.0000 C 0 0 -5.6342 -9.2162 0.0000 C 0 0 -6.0551 -10.6559 0.0000 N 0 0 -7.5124 -11.0113 0.0000 C 0 0 -8.5488 -9.9269 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 2 0 20 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 26 31 1 0 19 32 1 0 32 33 2 0 16 33 1 0 13 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 11 40 1 0 35 40 1 0 M END > CHEMBL3628719 > 0 $$$$ CHEMBL3628720 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 -9.0349 16.2399 0.0000 F 0 0 -9.0396 15.0399 0.0000 C 0 0 -7.7433 14.2836 0.0000 C 0 0 -7.7491 12.7828 0.0000 O 0 0 -6.4527 12.0265 0.0000 C 0 0 -6.4586 10.5257 0.0000 C 0 0 -5.1622 9.7694 0.0000 O 0 0 -5.1681 8.2686 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -3.8775 6.0115 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 O 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -9.1024 -6.0070 0.0000 C 0 0 -10.4529 -5.3840 0.0000 N 0 0 -11.4582 -6.4973 0.0000 N 0 0 -12.6514 -6.3702 0.0000 C 0 0 -10.7100 -7.7974 0.0000 C 0 0 -9.2424 -7.4877 0.0000 C 0 0 -8.1226 -8.4868 0.0000 C 0 0 -6.6706 -8.1318 0.0000 C 0 0 -5.6342 -9.2162 0.0000 C 0 0 -6.0551 -10.6559 0.0000 N 0 0 -7.5124 -11.0113 0.0000 C 0 0 -8.5488 -9.9269 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 23 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 29 34 1 0 22 35 1 0 35 36 2 0 19 36 1 0 16 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 14 43 1 0 38 43 1 0 M END > CHEMBL3628720 > 0 $$$$ CHEMBL3628721 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 O 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -9.1024 -6.0070 0.0000 C 0 0 -10.4529 -5.3840 0.0000 N 0 0 -11.4582 -6.4973 0.0000 N 0 0 -12.6514 -6.3702 0.0000 C 0 0 -10.7100 -7.7974 0.0000 C 0 0 -9.2424 -7.4877 0.0000 C 0 0 -8.1226 -8.4868 0.0000 C 0 0 -6.6706 -8.1318 0.0000 C 0 0 -5.6342 -9.2162 0.0000 C 0 0 -6.0551 -10.6559 0.0000 N 0 0 -7.5124 -11.0113 0.0000 C 0 0 -8.5488 -9.9269 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2907 2.9981 0.0000 N 0 0 -2.5870 3.7544 0.0000 C 0 0 -2.5812 5.2552 0.0000 C 0 0 -3.6177 5.8599 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 10 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 16 21 1 0 9 22 1 0 22 23 2 0 6 23 1 0 3 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 1 30 1 0 25 30 1 0 1 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 M END > CHEMBL3628721 > 1 $$$$ CHEMBL3628722 SciTegic12291823182D 38 43 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2919 -2.9980 0.0000 N 0 0 -2.5034 -3.8610 0.0000 N 0 0 -2.0364 -5.2864 0.0000 N 0 0 -0.5364 -5.2827 0.0000 C 0 0 0.3498 -6.4908 0.0000 C 0 0 1.8417 -6.3281 0.0000 C 0 0 2.5515 -7.2957 0.0000 F 0 0 -0.0764 -3.8550 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 23 27 2 0 20 27 1 0 19 28 2 0 11 28 1 0 8 29 1 0 29 30 2 0 5 30 1 0 4 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 32 37 1 0 31 38 2 0 2 38 1 0 M END > CHEMBL3628722 > 1 $$$$ CHEMBL3628723 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -12.6514 6.3702 0.0000 C 0 0 -11.4582 6.4973 0.0000 N 0 0 -10.4529 5.3840 0.0000 N 0 0 -9.1024 6.0070 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -3.9067 3.0027 0.0000 O 0 0 -3.9091 1.5019 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 O 0 0 -3.9067 -3.0027 0.0000 C 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2030 -4.9560 0.0000 F 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -9.2424 7.4877 0.0000 C 0 0 -8.1226 8.4868 0.0000 C 0 0 -6.6706 8.1318 0.0000 C 0 0 -5.6342 9.2162 0.0000 C 0 0 -6.0551 10.6559 0.0000 N 0 0 -7.5124 11.0113 0.0000 C 0 0 -8.5488 9.9269 0.0000 C 0 0 -10.7100 7.7974 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 13 18 1 0 18 19 1 0 19 20 2 0 11 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 8 25 1 0 25 26 2 0 5 26 1 0 4 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 28 33 1 0 27 34 2 0 2 34 1 0 M END > CHEMBL3628723 > 0 $$$$ CHEMBL3628724 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 F 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 13 19 1 0 19 20 1 0 20 21 2 0 11 21 1 0 8 22 1 0 22 23 2 0 5 23 1 0 4 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 25 30 1 0 24 31 2 0 2 31 1 0 M END > CHEMBL3628724 > 0 $$$$ CHEMBL3628725 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 C 0 0 3.8894 -2.7017 0.0000 F 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 13 20 1 0 20 21 1 0 21 22 2 0 11 22 1 0 8 23 1 0 23 24 2 0 5 24 1 0 4 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 26 31 1 0 25 32 2 0 2 32 1 0 M END > CHEMBL3628725 > 0 $$$$ CHEMBL3628726 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -12.4980 6.6358 0.0000 C 0 0 -12.0118 5.5387 0.0000 N 0 0 -10.5451 5.2243 0.0000 N 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.8911 -1.5017 0.0000 O 0 0 3.8890 -3.0026 0.0000 C 0 0 5.1872 -3.7556 0.0000 C 0 0 5.1855 -4.9556 0.0000 F 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -12.7640 4.2409 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 16 21 1 0 21 22 2 0 13 22 1 0 22 23 1 0 23 24 2 0 11 24 1 0 8 25 1 0 25 26 2 0 5 26 1 0 4 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 28 33 1 0 27 34 2 0 2 34 1 0 M END > CHEMBL3628726 > 0 $$$$ CHEMBL3628994 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -9.6472 6.0205 0.0000 C 0 0 -10.5451 5.2243 0.0000 N 0 0 -12.0118 5.5387 0.0000 N 0 0 -12.7640 4.2409 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 O 0 0 -2.5870 -3.7544 0.0000 C 0 0 -2.5812 -5.2552 0.0000 C 0 0 -3.6177 -5.8599 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 6 11 1 0 5 12 2 0 2 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 21 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 27 32 2 0 19 32 1 0 16 33 1 0 33 34 2 0 13 34 1 0 M END > CHEMBL3628994 > 1 $$$$ CHEMBL3628995 SciTegic12291823182D 35 39 0 0 0 0 999 V2000 -9.6472 6.0205 0.0000 C 0 0 -10.5451 5.2243 0.0000 N 0 0 -12.0118 5.5387 0.0000 N 0 0 -12.7640 4.2409 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 C 0 0 -2.5870 -3.7544 0.0000 O 0 0 -2.5812 -5.2552 0.0000 C 0 0 -3.8775 -6.0115 0.0000 C 0 0 -3.8729 -7.2115 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 6 11 1 0 5 12 2 0 2 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 21 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 27 33 2 0 19 33 1 0 16 34 1 0 34 35 2 0 13 35 1 0 M END > CHEMBL3628995 > 0 $$$$ CHEMBL3628996 SciTegic12291823182D 37 41 0 0 0 0 999 V2000 -5.1634 9.4686 0.0000 F 0 0 -5.1681 8.2686 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -3.8775 6.0115 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 O 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -9.1024 -6.0070 0.0000 C 0 0 -9.2424 -7.4877 0.0000 C 0 0 -8.1226 -8.4868 0.0000 C 0 0 -6.6706 -8.1318 0.0000 C 0 0 -5.6342 -9.2162 0.0000 C 0 0 -6.0551 -10.6559 0.0000 N 0 0 -7.5124 -11.0113 0.0000 C 0 0 -8.5488 -9.9269 0.0000 C 0 0 -10.7100 -7.7974 0.0000 C 0 0 -11.4582 -6.4973 0.0000 N 0 0 -10.4529 -5.3840 0.0000 N 0 0 -10.6937 -4.2085 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 19 24 1 0 18 25 1 0 25 26 2 0 26 27 1 0 17 27 1 0 27 28 1 0 16 29 1 0 29 30 2 0 13 30 1 0 10 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 2 0 8 37 1 0 32 37 1 0 M END > CHEMBL3628996 > 0 $$$$ CHEMBL3628997 SciTegic12291823182D 40 44 0 0 0 0 999 V2000 -7.4892 12.6312 0.0000 F 0 0 -6.4527 12.0265 0.0000 C 0 0 -6.4586 10.5257 0.0000 C 0 0 -5.1622 9.7694 0.0000 O 0 0 -5.1681 8.2686 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -3.8775 6.0115 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 O 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -9.1024 -6.0070 0.0000 C 0 0 -9.2424 -7.4877 0.0000 C 0 0 -8.1226 -8.4868 0.0000 C 0 0 -6.6706 -8.1318 0.0000 C 0 0 -5.6342 -9.2162 0.0000 C 0 0 -6.0551 -10.6559 0.0000 N 0 0 -7.5124 -11.0113 0.0000 C 0 0 -8.5488 -9.9269 0.0000 C 0 0 -10.7100 -7.7974 0.0000 C 0 0 -11.4582 -6.4973 0.0000 N 0 0 -10.4529 -5.3840 0.0000 N 0 0 -10.6937 -4.2085 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 22 27 1 0 21 28 1 0 28 29 2 0 29 30 1 0 20 30 1 0 30 31 1 0 19 32 1 0 32 33 2 0 16 33 1 0 13 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 11 40 1 0 35 40 1 0 M END > CHEMBL3628997 > 0 $$$$ CHEMBL3628998 SciTegic12291823182D 43 47 0 0 0 0 999 V2000 -9.0349 16.2399 0.0000 F 0 0 -9.0396 15.0399 0.0000 C 0 0 -7.7433 14.2836 0.0000 C 0 0 -7.7491 12.7828 0.0000 O 0 0 -6.4527 12.0265 0.0000 C 0 0 -6.4586 10.5257 0.0000 C 0 0 -5.1622 9.7694 0.0000 O 0 0 -5.1681 8.2686 0.0000 C 0 0 -3.8717 7.5123 0.0000 C 0 0 -3.8775 6.0115 0.0000 O 0 0 -2.5812 5.2552 0.0000 C 0 0 -2.5870 3.7544 0.0000 C 0 0 -1.2907 2.9981 0.0000 O 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -3.9091 -1.5019 0.0000 C 0 0 -3.9067 -3.0027 0.0000 O 0 0 -5.2049 -3.7560 0.0000 C 0 0 -5.2047 -5.2560 0.0000 C 0 0 -6.5036 -6.0062 0.0000 C 0 0 -7.8028 -5.2564 0.0000 C 0 0 -9.1024 -6.0070 0.0000 C 0 0 -9.2424 -7.4877 0.0000 C 0 0 -8.1226 -8.4868 0.0000 C 0 0 -6.6706 -8.1318 0.0000 C 0 0 -5.6342 -9.2162 0.0000 C 0 0 -6.0551 -10.6559 0.0000 N 0 0 -7.5124 -11.0113 0.0000 C 0 0 -8.5488 -9.9269 0.0000 C 0 0 -10.7100 -7.7974 0.0000 C 0 0 -11.4582 -6.4973 0.0000 N 0 0 -10.4529 -5.3840 0.0000 N 0 0 -10.6937 -4.2085 0.0000 C 0 0 -7.8030 -3.7564 0.0000 C 0 0 -6.5041 -3.0062 0.0000 C 0 0 -1.2964 -1.4973 0.0000 N 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 25 30 1 0 24 31 1 0 31 32 2 0 32 33 1 0 23 33 1 0 33 34 1 0 22 35 1 0 35 36 2 0 19 36 1 0 16 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 14 43 1 0 38 43 1 0 M END > CHEMBL3628998 > 0 $$$$ CHEMBL3628999 SciTegic12291823182D 34 38 0 0 0 0 999 V2000 -9.6472 6.0205 0.0000 C 0 0 -10.5451 5.2243 0.0000 N 0 0 -12.0118 5.5387 0.0000 N 0 0 -12.7640 4.2409 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2907 -2.9981 0.0000 N 0 0 -2.5870 -3.7544 0.0000 C 0 0 -2.5812 -5.2552 0.0000 C 0 0 -3.6177 -5.8599 0.0000 F 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 6 11 1 0 5 12 2 0 2 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 21 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 27 32 2 0 19 32 1 0 16 33 1 0 33 34 2 0 13 34 1 0 M END > CHEMBL3628999 > 0 $$$$ CHEMBL3629000 SciTegic12291823182D 38 43 0 0 0 0 999 V2000 -9.6472 6.0205 0.0000 C 0 0 -10.5451 5.2243 0.0000 N 0 0 -12.0118 5.5387 0.0000 N 0 0 -12.7640 4.2409 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2919 -2.9980 0.0000 N 0 0 -2.5034 -3.8610 0.0000 N 0 0 -2.0364 -5.2864 0.0000 N 0 0 -0.5364 -5.2827 0.0000 C 0 0 0.3498 -6.4908 0.0000 C 0 0 1.8417 -6.3281 0.0000 C 0 0 2.5515 -7.2957 0.0000 F 0 0 -0.0764 -3.8550 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 6 11 1 0 5 12 2 0 2 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 21 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 31 35 2 0 28 35 1 0 27 36 2 0 19 36 1 0 16 37 1 0 37 38 2 0 13 38 1 0 M END > CHEMBL3629000 > 1 $$$$ CHEMBL3629001 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 -9.6472 6.0205 0.0000 C 0 0 -10.5451 5.2243 0.0000 N 0 0 -12.0118 5.5387 0.0000 N 0 0 -12.7640 4.2409 0.0000 C 0 0 -11.7622 3.1245 0.0000 C 0 0 -12.0680 1.6552 0.0000 C 0 0 -11.0348 0.5750 0.0000 C 0 0 -11.4561 -0.8646 0.0000 C 0 0 -12.9135 -1.2196 0.0000 N 0 0 -13.9496 -0.1350 0.0000 C 0 0 -13.5283 1.3047 0.0000 C 0 0 -10.4097 3.7432 0.0000 C 0 0 -9.1101 2.9927 0.0000 C 0 0 -9.1103 1.4927 0.0000 C 0 0 -7.8113 0.7426 0.0000 C 0 0 -6.5121 1.4924 0.0000 C 0 0 -5.2109 0.7445 0.0000 O 0 0 -3.9122 1.4966 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 3.6321 -1.3486 0.0000 F 0 0 1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -6.5121 2.9924 0.0000 C 0 0 -7.8110 3.7426 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 6 11 1 0 5 12 2 0 2 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 21 27 1 0 27 28 1 0 28 29 2 0 19 29 1 0 16 30 1 0 30 31 2 0 13 31 1 0 M END > CHEMBL3629001 > 0 $$$$ CHEMBL3634744 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 -9.1024 6.0070 0.0000 C 0 0 -9.1046 7.5071 0.0000 C 0 0 -10.4047 8.2552 0.0000 N 0 0 -11.7027 7.5033 0.0000 C 0 0 -11.7005 6.0033 0.0000 C 0 0 -10.4004 5.2552 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 O 0 0 -3.9091 1.5019 0.0000 C 0 0 -12.7428 8.1018 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -7.8060 8.2593 0.0000 C 0 0 -6.5046 7.5133 0.0000 C 0 0 -5.2079 8.2673 0.0000 C 0 0 -5.2124 9.7673 0.0000 C 0 0 -6.5137 10.5133 0.0000 C 0 0 -7.8105 9.7594 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 21 2 0 20 19 2 0 19 16 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 2 26 1 0 M END > CHEMBL3634744 > 0 $$$$ CHEMBL3634745 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 -9.1024 6.0070 0.0000 C 0 0 -9.1046 7.5071 0.0000 C 0 0 -10.4047 8.2552 0.0000 N 0 0 -11.7027 7.5033 0.0000 C 0 0 -11.7005 6.0033 0.0000 C 0 0 -10.4004 5.2552 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 O 0 0 -3.9091 1.5019 0.0000 C 0 0 -12.7428 8.1018 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -7.8060 8.2593 0.0000 C 0 0 -6.5046 7.5133 0.0000 C 0 0 -5.2079 8.2673 0.0000 C 0 0 -5.2124 9.7673 0.0000 C 0 0 -6.5137 10.5133 0.0000 C 0 0 -7.8105 9.7594 0.0000 C 0 0 -4.1750 10.3704 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 21 2 0 20 19 2 0 19 16 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 2 26 1 0 29 32 1 0 M END > CHEMBL3634745 > 0 $$$$ CHEMBL3634746 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 -9.1024 6.0070 0.0000 C 0 0 -9.1046 7.5071 0.0000 C 0 0 -10.4047 8.2552 0.0000 N 0 0 -11.7027 7.5033 0.0000 C 0 0 -11.7005 6.0033 0.0000 C 0 0 -10.4004 5.2552 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 O 0 0 -3.9091 1.5019 0.0000 C 0 0 -12.7428 8.1018 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -7.8060 8.2593 0.0000 C 0 0 -6.5046 7.5133 0.0000 C 0 0 -5.2079 8.2673 0.0000 C 0 0 -5.2124 9.7673 0.0000 C 0 0 -6.5137 10.5133 0.0000 C 0 0 -7.8105 9.7594 0.0000 C 0 0 -4.1750 10.3704 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 21 2 0 20 19 2 0 19 16 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 2 26 1 0 29 32 1 0 M END > CHEMBL3634746 > 0 $$$$ CHEMBL3634749 SciTegic12291823182D 33 37 0 0 0 0 999 V2000 -9.1024 6.0070 0.0000 C 0 0 -9.1046 7.5071 0.0000 C 0 0 -10.4047 8.2552 0.0000 N 0 0 -11.7027 7.5033 0.0000 C 0 0 -11.7005 6.0033 0.0000 C 0 0 -10.4004 5.2552 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 O 0 0 -3.9091 1.5019 0.0000 C 0 0 -12.7428 8.1018 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -7.8060 8.2593 0.0000 C 0 0 -7.8105 9.7594 0.0000 C 0 0 -6.5137 10.5133 0.0000 C 0 0 -5.2124 9.7673 0.0000 C 0 0 -5.2079 8.2673 0.0000 C 0 0 -6.5046 7.5133 0.0000 C 0 0 -6.5016 6.5133 0.0000 F 0 0 -4.1750 10.3704 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 21 2 0 20 19 2 0 19 16 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 2 26 1 0 31 32 1 0 29 33 1 0 M END > CHEMBL3634749 > 0 $$$$ CHEMBL3634847 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 -9.1024 6.0070 0.0000 C 0 0 -9.1046 7.5071 0.0000 C 0 0 -10.4047 8.2552 0.0000 N 0 0 -11.7027 7.5033 0.0000 C 0 0 -11.7005 6.0033 0.0000 C 0 0 -10.4004 5.2552 0.0000 C 0 0 -7.8028 5.2564 0.0000 C 0 0 -6.5036 6.0062 0.0000 C 0 0 -5.2047 5.2560 0.0000 C 0 0 -5.2049 3.7560 0.0000 C 0 0 -6.5041 3.0062 0.0000 C 0 0 -7.8030 3.7564 0.0000 C 0 0 -3.9067 3.0027 0.0000 O 0 0 -3.9091 1.5019 0.0000 C 0 0 -12.7428 8.1018 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2964 1.4973 0.0000 N 0 0 0.0000 0.7486 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 -7.8060 8.2593 0.0000 C 0 0 -6.5046 7.5133 0.0000 C 0 0 -5.2079 8.2673 0.0000 C 0 0 -5.2124 9.7673 0.0000 N 0 0 -6.5137 10.5133 0.0000 C 0 0 -7.8105 9.7594 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 21 2 0 20 19 2 0 19 16 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 26 1 0 2 26 1 0 M END > CHEMBL3634847 > 0 $$$$ CHEMBL3634853 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -8.8430 5.9609 0.0000 C 0 0 -8.8556 7.4609 0.0000 C 0 0 -10.1609 8.2001 0.0000 N 0 0 -11.4536 7.4392 0.0000 C 0 0 -11.4411 5.9393 0.0000 C 0 0 -10.1358 5.2002 0.0000 C 0 0 -7.5383 5.2194 0.0000 C 0 0 -6.2443 5.9781 0.0000 C 0 0 -4.9402 5.2369 0.0000 C 0 0 -4.9300 3.7369 0.0000 C 0 0 -6.2240 2.9782 0.0000 C 0 0 -7.5281 3.7194 0.0000 C 0 0 -3.6267 2.9927 0.0000 O 0 0 -3.6187 1.4919 0.0000 C 0 0 -12.4978 8.0306 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -7.5623 8.2222 0.0000 C 0 0 -6.2557 7.4852 0.0000 C 0 0 -4.9642 8.2481 0.0000 C 0 0 -4.9791 9.7480 0.0000 C 0 0 -6.2856 10.4851 0.0000 C 0 0 -7.5771 9.7222 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 2 17 1 0 16 23 2 0 23 24 1 0 24 27 2 0 26 25 2 0 25 16 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 26 1 0 M END > CHEMBL3634853 > 0 $$$$ CHEMBL3634855 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 -8.8430 5.9609 0.0000 C 0 0 -8.8556 7.4609 0.0000 C 0 0 -10.1609 8.2001 0.0000 N 0 0 -11.4536 7.4392 0.0000 C 0 0 -11.4411 5.9393 0.0000 C 0 0 -10.1358 5.2002 0.0000 C 0 0 -7.5383 5.2194 0.0000 C 0 0 -6.2443 5.9781 0.0000 C 0 0 -4.9402 5.2369 0.0000 C 0 0 -4.9300 3.7369 0.0000 C 0 0 -6.2240 2.9782 0.0000 C 0 0 -7.5281 3.7194 0.0000 C 0 0 -3.6267 2.9927 0.0000 O 0 0 -3.6187 1.4919 0.0000 C 0 0 -12.4978 8.0306 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -7.5623 8.2222 0.0000 C 0 0 -6.2557 7.4852 0.0000 C 0 0 -4.9642 8.2481 0.0000 C 0 0 -4.9791 9.7480 0.0000 C 0 0 -6.2856 10.4851 0.0000 C 0 0 -7.5771 9.7222 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 -3.9459 10.3583 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 2 17 1 0 16 23 2 0 23 24 1 0 24 27 2 0 26 25 2 0 25 16 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 26 1 0 20 31 1 0 M END > CHEMBL3634855 > 0 $$$$ CHEMBL3634857 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 -8.8430 5.9609 0.0000 C 0 0 -8.8556 7.4609 0.0000 C 0 0 -10.1609 8.2001 0.0000 N 0 0 -11.4536 7.4392 0.0000 C 0 0 -11.4411 5.9393 0.0000 C 0 0 -10.1358 5.2002 0.0000 C 0 0 -7.5383 5.2194 0.0000 C 0 0 -6.2443 5.9781 0.0000 C 0 0 -4.9402 5.2369 0.0000 C 0 0 -4.9300 3.7369 0.0000 C 0 0 -6.2240 2.9782 0.0000 C 0 0 -7.5281 3.7194 0.0000 C 0 0 -3.6267 2.9927 0.0000 O 0 0 -3.6187 1.4919 0.0000 C 0 0 -12.4978 8.0306 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -7.5623 8.2222 0.0000 C 0 0 -6.2557 7.4852 0.0000 C 0 0 -4.9642 8.2481 0.0000 C 0 0 -4.9791 9.7480 0.0000 C 0 0 -6.2856 10.4851 0.0000 C 0 0 -7.5771 9.7222 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 -3.9459 10.3583 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 2 17 1 0 16 23 2 0 23 24 1 0 24 27 2 0 26 25 2 0 25 16 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 26 1 0 28 31 1 0 20 32 1 0 M END > CHEMBL3634857 > 0 $$$$ CHEMBL3634858 SciTegic12291823182D 32 36 0 0 0 0 999 V2000 -8.8430 5.9609 0.0000 C 0 0 -8.8556 7.4609 0.0000 C 0 0 -10.1609 8.2001 0.0000 N 0 0 -11.4536 7.4392 0.0000 C 0 0 -11.4411 5.9393 0.0000 C 0 0 -10.1358 5.2002 0.0000 C 0 0 -7.5383 5.2194 0.0000 C 0 0 -6.2443 5.9781 0.0000 C 0 0 -4.9402 5.2369 0.0000 C 0 0 -4.9300 3.7369 0.0000 C 0 0 -6.2240 2.9782 0.0000 C 0 0 -7.5281 3.7194 0.0000 C 0 0 -3.6267 2.9927 0.0000 O 0 0 -3.6187 1.4919 0.0000 C 0 0 -12.4978 8.0306 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -7.5623 8.2222 0.0000 C 0 0 -6.2557 7.4852 0.0000 C 0 0 -4.9642 8.2481 0.0000 C 0 0 -4.9791 9.7480 0.0000 C 0 0 -6.2856 10.4851 0.0000 C 0 0 -7.5771 9.7222 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -1.0028 1.5132 0.0000 N 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 -3.9459 10.3583 0.0000 Cl 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 1 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 7 1 0 10 13 1 0 13 14 1 0 4 15 2 0 14 16 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 2 17 1 0 16 23 2 0 23 24 1 0 24 27 2 0 26 25 2 0 25 16 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 26 1 0 28 31 1 0 20 32 1 0 M END > CHEMBL3634858 > 0 $$$$ CHEMBL3739662 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -0.0521 3.4812 0.0000 C 0 0 0.3013 4.9340 0.0000 C 0 0 -0.7843 5.9691 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -2.5772 4.0889 0.0000 N 0 0 -1.4917 3.0537 0.0000 C 0 0 -3.0920 6.3748 0.0000 F 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.3053 0.7500 0.0000 Br 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 19 22 1 0 4 23 1 0 23 24 1 0 2 25 1 0 M END > CHEMBL3739662 > 1 $$$$ CHEMBL3741850 SciTegic12291823182D 31 35 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -0.0521 3.4812 0.0000 C 0 0 0.3013 4.9340 0.0000 C 0 0 -0.7843 5.9691 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -2.5772 4.0889 0.0000 N 0 0 -1.4917 3.0537 0.0000 C 0 0 -3.0920 6.3748 0.0000 F 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.5653 0.9011 0.0000 C 0 0 -4.5664 2.4010 0.0000 C 0 0 -5.8660 3.1501 0.0000 C 0 0 -7.1645 2.3992 0.0000 C 0 0 -7.1634 0.8992 0.0000 N 0 0 -5.8639 0.1501 0.0000 C 0 0 -8.2042 2.9984 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 19 22 1 0 4 23 1 0 23 24 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 2 25 1 0 28 31 1 0 M END > CHEMBL3741850 > 1 $$$$ CHEMBL3741950 SciTegic12291823182D 25 28 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -0.0521 3.4812 0.0000 C 0 0 -1.4917 3.0537 0.0000 C 0 0 -2.5772 4.0889 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -0.7843 5.9691 0.0000 N 0 0 0.3013 4.9340 0.0000 C 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.3053 0.7500 0.0000 Br 0 0 1.4528 5.2716 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 4 22 1 0 22 23 1 0 2 24 1 0 21 25 1 0 M END > CHEMBL3741950 > 1 $$$$ CHEMBL3742354 SciTegic12291823182D 29 33 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -0.0521 3.4812 0.0000 C 0 0 0.3013 4.9340 0.0000 C 0 0 -0.7843 5.9691 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -2.5772 4.0889 0.0000 N 0 0 -1.4917 3.0537 0.0000 C 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.5653 0.9011 0.0000 C 0 0 -4.5664 2.4010 0.0000 C 0 0 -5.8660 3.1501 0.0000 C 0 0 -7.1645 2.3992 0.0000 C 0 0 -7.1634 0.8992 0.0000 N 0 0 -5.8639 0.1501 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 4 22 1 0 22 23 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 2 24 1 0 M END > CHEMBL3742354 > 1 $$$$ CHEMBL3741781 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.5653 0.9011 0.0000 C 0 0 -4.5664 2.4010 0.0000 C 0 0 -5.8660 3.1501 0.0000 C 0 0 -7.1645 2.3992 0.0000 C 0 0 -7.1634 0.8992 0.0000 N 0 0 -5.8639 0.1501 0.0000 C 0 0 -8.2042 2.9984 0.0000 F 0 0 -0.0521 3.4812 0.0000 C 0 0 0.3013 4.9340 0.0000 C 0 0 -0.7843 5.9691 0.0000 C 0 0 -2.2235 5.5466 0.0000 N 0 0 -2.5772 4.0889 0.0000 C 0 0 -1.4917 3.0537 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 4 16 1 0 16 17 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 2 18 1 0 21 24 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 12 25 1 0 M END > CHEMBL3741781 > 1 $$$$ CHEMBL3739783 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.5653 0.9011 0.0000 C 0 0 -4.5664 2.4010 0.0000 C 0 0 -5.8660 3.1501 0.0000 C 0 0 -7.1645 2.3992 0.0000 C 0 0 -7.1634 0.8992 0.0000 N 0 0 -5.8639 0.1501 0.0000 C 0 0 -8.2042 2.9984 0.0000 F 0 0 -0.0521 3.4812 0.0000 C 0 0 0.3013 4.9340 0.0000 C 0 0 -0.7843 5.9691 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -2.5772 4.0889 0.0000 N 0 0 -1.4917 3.0537 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 4 16 1 0 16 17 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 2 18 1 0 21 24 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 12 25 1 0 M END > CHEMBL3739783 > 1 $$$$ CHEMBL3741207 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -0.0521 3.4812 0.0000 C 0 0 0.3013 4.9340 0.0000 C 0 0 -0.7843 5.9691 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -2.5772 4.0889 0.0000 N 0 0 -1.4917 3.0537 0.0000 C 0 0 -3.0920 6.3748 0.0000 F 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.5653 0.9011 0.0000 C 0 0 -4.5664 2.4010 0.0000 C 0 0 -5.8660 3.1501 0.0000 C 0 0 -7.1645 2.3992 0.0000 N 0 0 -7.1634 0.8992 0.0000 C 0 0 -5.8639 0.1501 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 19 22 1 0 4 23 1 0 23 24 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 2 25 1 0 M END > CHEMBL3741207 > 1 $$$$ CHEMBL3741492 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -0.0521 3.4812 0.0000 C 0 0 0.3013 4.9340 0.0000 C 0 0 -0.7843 5.9691 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -2.5772 4.0889 0.0000 N 0 0 -1.4917 3.0537 0.0000 C 0 0 -3.0920 6.3748 0.0000 F 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.5653 0.9011 0.0000 C 0 0 -4.5664 2.4010 0.0000 C 0 0 -5.8660 3.1501 0.0000 C 0 0 -7.1645 2.3992 0.0000 C 0 0 -7.1634 0.8992 0.0000 N 0 0 -5.8639 0.1501 0.0000 C 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 19 22 1 0 4 23 1 0 23 24 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 2 25 1 0 M END > CHEMBL3741492 > 1 $$$$ CHEMBL3741573 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -3.2678 -1.3585 0.0000 C 0 0 -3.2678 0.1469 0.0000 C 0 0 -1.9460 0.8996 0.0000 C 0 0 -1.9460 -2.0562 0.0000 C 0 0 -0.6609 -1.3585 0.0000 C 0 0 -0.6609 0.1469 0.0000 C 0 0 1.9460 -1.3585 0.0000 C 0 0 0.6426 -2.0562 0.0000 N 0 0 2.9755 -1.9752 0.0000 C 0 0 1.9460 0.1469 0.0000 C 0 0 0.6426 0.8996 0.0000 N 0 0 0.9547 2.3683 0.0000 C 0 0 2.4601 2.5335 0.0000 N 0 0 3.0843 1.1566 0.0000 C 0 0 4.2579 0.9067 0.0000 C 0 0 -0.0521 3.4812 0.0000 C 0 0 -1.4917 3.0537 0.0000 C 0 0 -2.5772 4.0889 0.0000 C 0 0 -2.2235 5.5466 0.0000 C 0 0 -0.7843 5.9691 0.0000 N 0 0 0.3013 4.9340 0.0000 C 0 0 -1.9307 -3.5580 0.0000 O 0 0 -2.9633 -4.1693 0.0000 C 0 0 -4.5653 0.9011 0.0000 C 0 0 -4.5664 2.4010 0.0000 C 0 0 -5.8660 3.1501 0.0000 C 0 0 -7.1645 2.3992 0.0000 C 0 0 -7.1634 0.8992 0.0000 N 0 0 -5.8639 0.1501 0.0000 C 0 0 1.4528 5.2716 0.0000 F 0 0 1 2 2 0 2 3 1 0 3 6 2 0 5 4 2 0 4 1 1 0 5 6 1 0 5 8 1 0 6 11 1 0 10 7 1 0 7 8 2 0 7 9 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 10 2 0 14 15 1 0 12 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 4 22 1 0 22 23 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 24 1 0 2 24 1 0 21 30 1 0 M END > CHEMBL3741573 > 1 $$$$ CHEMBL3747655 SciTegic12291823182D 22 24 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 -0.9971 3.0138 0.0000 N 0 0 -2.2935 3.7700 0.0000 C 0 0 -2.2901 5.2700 0.0000 C 0 0 -3.5873 6.0231 0.0000 C 0 0 -4.8881 5.2761 0.0000 C 0 0 -4.8917 3.7761 0.0000 C 0 0 -3.5944 3.0231 0.0000 C 0 0 -3.5868 7.5239 0.0000 O 0 0 -4.6255 8.1249 0.0000 C 0 0 2.0907 -2.3426 0.0000 C 0 0 -3.6217 1.4865 0.0000 C 0 0 -3.6302 2.4865 0.0000 N 0 0 -4.6560 0.8780 0.0000 O 0 0 1 2 1 0 2 3 2 0 3 6 1 0 5 4 1 0 4 1 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 5 1 0 4 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 13 17 1 0 17 18 1 0 7 19 1 0 20 21 1 0 20 22 2 0 1 20 1 0 M END > CHEMBL3747655 > 1 $$$$ CHEMBL3769507 SciTegic12291823182D 33 36 0 0 0 0 999 V2000 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 N 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 S 0 0 4.0872 0.0382 0.0000 C 0 0 4.7008 -0.9930 0.0000 N 0 0 4.8208 1.3475 0.0000 N 0 0 -0.9982 3.0140 0.0000 C 0 0 -2.2894 3.7767 0.0000 C 0 0 -2.2745 5.2767 0.0000 C 0 0 -0.9680 6.0137 0.0000 C 0 0 0.3235 5.2508 0.0000 C 0 0 0.3086 3.7509 0.0000 C 0 0 -0.9991 -2.7132 0.0000 O 0 0 -3.6217 -1.4865 0.0000 C 0 0 -4.6560 -0.8780 0.0000 C 0 0 8.5566 2.6924 0.0000 C 0 0 7.0567 2.6752 0.0000 C 0 0 6.3215 1.3677 0.0000 C 0 0 7.0864 0.0773 0.0000 C 0 0 8.5863 0.0945 0.0000 C 0 0 9.3214 1.4020 0.0000 S 0 0 9.9087 0.3555 0.0000 O 0 0 9.8848 2.4615 0.0000 O 0 0 -3.5667 6.0400 0.0000 C 0 0 -4.6122 5.4510 0.0000 F 0 0 -3.5543 7.2399 0.0000 F 0 0 -4.5996 6.6508 0.0000 F 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 1 6 1 0 7 8 2 0 8 9 1 0 2 7 1 0 3 9 1 0 10 11 2 0 10 12 1 0 8 10 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 13 18 2 0 4 13 1 0 1 19 2 0 20 21 1 0 6 20 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 22 27 1 0 27 28 2 0 27 29 2 0 12 24 1 0 30 31 1 0 30 32 1 0 30 33 1 0 15 30 1 0 M END > CHEMBL3769507 > 0 $$$$ CHEMBL3774784 SciTegic12291823182D 28 29 0 0 0 0 999 V2000 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1 0 0 0 3.6375 -0.9049 0.0000 C 0 0 3.6331 -3.6060 0.0000 O 0 0 1.5548 -3.6021 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -3.9069 5.2492 0.0000 O 0 0 -5.2089 5.9957 0.0000 C 0 0 -5.2144 7.4965 0.0000 N 0 0 -6.2462 5.3922 0.0000 O 0 0 -6.5164 8.2430 0.0000 C 0 0 -6.5219 9.7438 0.0000 C 0 0 -7.8239 10.4903 0.0000 C 0 0 -7.8294 11.9911 0.0000 C 0 0 -9.1314 12.7376 0.0000 C 0 0 -9.1358 13.9376 0.0000 C 0 0 0.0000 2.7000 0.0000 F 0 0 1 2 1 0 2 3 1 6 1 4 2 0 1 5 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 6 11 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 12 17 2 0 19 20 1 0 19 21 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 20 22 1 0 18 19 1 0 14 18 1 0 9 12 1 0 8 28 1 0 2 6 1 0 M END > CHEMBL3774784 > 0 $$$$ CHEMBL3809730 SciTegic12291823182D 26 29 0 0 0 0 999 V2000 6.2524 -0.2436 0.0000 C 0 0 5.4979 1.0528 0.0000 C 0 0 4.0317 0.7359 0.0000 N 0 0 3.8990 -0.7455 0.0000 N 0 0 5.2526 -1.3618 0.0000 C 0 0 5.5610 -2.8305 0.0000 C 0 0 4.6461 -3.9967 0.0000 N 0 0 5.4977 -5.2315 0.0000 O 0 0 6.9352 -4.8031 0.0000 C 0 0 6.9720 -3.3035 0.0000 C 0 0 2.6003 -1.4977 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 6.1035 2.4260 0.0000 C 0 0 7.5736 2.6979 0.0000 N 0 0 8.0739 4.1120 0.0000 C 0 0 7.0995 5.2524 0.0000 C 0 0 5.6247 4.9786 0.0000 C 0 0 5.1243 3.5645 0.0000 N 0 0 0.0000 -2.7000 0.0000 F 0 0 4.8451 5.8909 0.0000 O 0 0 7.4998 6.3836 0.0000 F 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 2 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 6 1 0 5 6 1 0 4 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 12 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 18 1 0 2 18 1 0 17 24 1 0 22 25 1 0 21 26 1 0 M END > CHEMBL3809730 > 0 $$$$ CHEMBL3814662 SciTegic12291823182D 37 43 0 0 0 0 999 V2000 7.0323 -3.0983 0.0000 C 0 0 7.6304 -1.7226 0.0000 C 0 0 9.1208 -1.5527 0.0000 N 0 0 10.0131 -2.7585 0.0000 N 0 0 9.4150 -4.1341 0.0000 C 0 0 7.9247 -4.3040 0.0000 C 0 0 7.4463 -5.4045 0.0000 O 0 0 10.3078 -5.3404 0.0000 C 0 0 11.7948 -5.3121 0.0000 N 0 0 12.2686 -6.7353 0.0000 N 0 0 11.0614 -7.6257 0.0000 C 0 0 9.8416 -6.7528 0.0000 C 0 0 5.5408 -3.2652 0.0000 O 0 0 4.6497 -2.0576 0.0000 C 0 0 12.6609 -4.0865 0.0000 C 0 0 12.1439 -2.6839 0.0000 C 0 0 13.1041 -1.5316 0.0000 C 0 0 14.5822 -1.7869 0.0000 C 0 0 15.1001 -3.1947 0.0000 C 0 0 14.1399 -4.3471 0.0000 C 0 0 9.7220 -0.1776 0.0000 C 0 0 11.2134 -0.0097 0.0000 C 0 0 3.1582 -2.2245 0.0000 C 0 0 2.2688 -1.0186 0.0000 N 0 0 0.7408 -1.0186 0.0000 C 0 0 -0.4399 -1.9215 0.0000 N 0 0 0.3010 0.3704 0.0000 N 0 0 -1.2039 0.3704 0.0000 C 0 0 -1.6669 -1.0186 0.0000 C 0 0 -3.1485 -1.3659 0.0000 C 0 0 -4.1672 0.0000 0.0000 C 0 0 -3.6810 1.1807 0.0000 C 0 0 -2.2225 1.5280 0.0000 C 0 0 1.5048 1.2733 0.0000 C 0 0 2.7318 0.3704 0.0000 C 0 0 12.3314 0.8682 0.0000 C 0 0 12.4960 -0.6227 0.0000 C 0 0 1 2 2 0 1 6 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 8 2 0 1 13 1 0 13 14 1 0 9 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 15 1 0 3 21 1 0 21 22 1 0 14 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 29 1 0 28 27 1 0 27 25 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 28 1 0 27 34 1 0 34 35 1 0 35 24 1 0 36 22 1 0 37 36 1 0 22 37 1 0 M END > CHEMBL3814662 > 1 $$$$ CHEMBL3819587 SciTegic12291823182D 39 43 0 0 0 0 999 V2000 -0.4439 -1.8202 0.0000 O 0 0 0.7442 -1.6517 0.0000 S 0 0 1.5291 -2.5594 0.0000 O 0 0 3.1043 -2.6385 0.0000 C 0 0 2.2325 -1.4158 0.0000 N 0 0 6.7119 -0.9853 0.0000 C 0 0 7.5843 -2.2056 0.0000 C 0 0 6.9638 -3.5712 0.0000 C 0 0 5.4708 -3.7166 0.0000 C 0 0 4.5984 -2.4964 0.0000 C 0 0 5.2190 -1.1307 0.0000 C 0 0 7.3331 0.3810 0.0000 C 0 0 2 0 0 0 6.4575 1.6000 0.0000 C 0 0 4.9640 1.4523 0.0000 C 0 0 4.2640 2.4269 0.0000 O 0 0 4.4696 0.3589 0.0000 O 0 0 4.9744 -4.8091 0.0000 C 0 0 8.8268 0.5271 0.0000 C 0 0 9.4401 1.8918 0.0000 C 0 0 10.9514 2.0515 0.0000 C 0 0 9.7095 -0.7085 0.0000 C 0 0 11.2042 -0.5413 0.0000 C 0 0 11.8176 0.8220 0.0000 C 0 0 13.3015 0.6542 0.0000 N 0 0 13.5983 -0.8189 0.0000 N 0 0 12.3140 -1.5405 0.0000 N 0 0 14.1127 1.5385 0.0000 C 0 0 11.5722 3.4176 0.0000 O 0 0 10.8750 4.3943 0.0000 C 0 0 2.9404 0.0000 0.0000 C 0 0 2.2507 1.3976 0.0000 C 0 0 2 0 0 0 0.7805 1.6880 0.0000 O 0 0 0.0000 -0.7623 0.0000 C 0 0 0.0000 0.7623 0.0000 C 0 0 -1.4884 1.5247 0.0000 C 0 0 -2.8315 0.7623 0.0000 C 0 0 -2.8315 -0.7623 0.0000 C 0 0 -1.4884 -1.5247 0.0000 C 0 0 2.9804 2.3502 0.0000 C 0 0 2 1 2 0 3 2 2 0 4 5 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 6 1 0 6 12 1 0 12 13 1 6 13 14 1 0 14 15 2 0 14 16 1 0 9 17 1 0 12 18 1 0 18 19 2 0 19 20 1 0 20 23 2 0 22 21 2 0 21 18 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 22 1 0 24 27 1 0 10 4 1 0 20 28 1 0 28 29 1 0 5 2 1 0 2 33 1 0 5 30 1 0 30 31 1 0 34 32 1 0 31 32 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 33 1 0 31 39 1 6 M END > CHEMBL3819587 > 1 $$$$ CHEMBL175883 SciTegic12291823182D 21 24 0 0 0 0 999 V2000 1.0542 0.1458 0.0000 C 0 0 1.0542 -0.6875 0.0000 C 0 0 -0.3750 -0.6875 0.0000 C 0 0 0.3375 0.5583 0.0000 O 0 0 -0.3750 0.1375 0.0000 C 0 0 0.3375 -1.1000 0.0000 C 0 0 1.7667 0.5625 0.0000 N 0 0 -1.0958 -1.1042 0.0000 C 0 0 -1.0958 0.5583 0.0000 C 0 0 -1.8125 -0.6917 0.0000 C 0 0 -1.8083 0.1375 0.0000 C 0 0 0.3375 -1.9292 0.0000 O 0 0 3.2042 1.3833 0.0000 O 0 0 1.7667 1.3833 0.0000 C 0 0 2.4917 0.1458 0.0000 C 0 0 2.4875 1.8000 0.0000 C 0 0 3.2000 0.5583 0.0000 C 0 0 -2.5208 -1.1000 0.0000 C 0 0 -2.5208 0.5458 0.0000 C 0 0 -3.2458 0.1375 0.0000 C 0 0 -3.2458 -0.6917 0.0000 C 0 0 2 1 2 0 3 5 2 0 4 1 1 0 5 4 1 0 6 2 1 0 7 1 1 0 8 3 1 0 9 5 1 0 10 11 1 0 11 9 2 0 12 6 2 0 13 17 1 0 14 7 1 0 15 7 1 0 16 14 1 0 17 15 1 0 18 10 1 0 19 11 1 0 20 19 2 0 21 18 2 0 3 6 1 0 13 16 1 0 8 10 2 0 20 21 1 0 M END > CHEMBL175883 > 0 $$$$ CHEMBL1795742 SciTegic12291823182D 21 24 0 0 0 0 999 V2000 17.8609 1.5913 0.0000 C 0 0 18.5726 2.0040 0.0000 C 0 0 19.2878 1.5949 0.0000 C 0 0 19.2866 0.7621 0.0000 C 0 0 20.0033 0.3469 0.0000 C 0 0 20.7258 0.7600 0.0000 N 0 0 20.7270 1.5929 0.0000 C 0 0 20.0057 2.0126 0.0000 O 0 0 20.0009 -0.4779 0.0000 O 0 0 21.4452 1.9997 0.0000 N 0 0 22.1583 1.5834 0.0000 C 0 0 22.8714 1.9905 0.0000 C 0 0 22.8777 2.8156 0.0000 O 0 0 22.1646 3.2320 0.0000 C 0 0 21.4452 2.8232 0.0000 C 0 0 18.5744 0.3514 0.0000 C 0 0 17.8598 0.7641 0.0000 C 0 0 17.1470 0.3517 0.0000 C 0 0 17.1478 -0.4733 0.0000 C 0 0 17.8672 -0.8842 0.0000 C 0 0 18.5769 -0.4694 0.0000 C 0 0 10 11 1 0 16 4 2 0 3 2 2 0 2 1 1 0 3 4 1 0 3 8 1 0 10 15 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 7 10 1 0 4 5 1 0 5 6 1 0 16 17 1 0 6 7 2 0 17 18 1 0 7 8 1 0 18 19 2 0 1 17 2 0 19 20 1 0 5 9 2 0 20 21 2 0 21 16 1 0 M END > CHEMBL1795742 > 0 $$$$ CHEMBL1795743 SciTegic12291823182D 21 24 0 0 0 0 999 V2000 -3.7802 -3.7524 0.0000 C 0 0 -3.7814 -4.5849 0.0000 C 0 0 -3.0649 -4.9999 0.0000 C 0 0 -2.3428 -4.5870 0.0000 N 0 0 -2.3416 -3.7544 0.0000 C 0 0 -3.0625 -3.3348 0.0000 O 0 0 -3.0673 -5.8244 0.0000 O 0 0 -1.6236 -3.3477 0.0000 N 0 0 -0.9107 -3.7639 0.0000 C 0 0 -0.1979 -3.3569 0.0000 C 0 0 -0.1916 -2.5322 0.0000 O 0 0 -0.9044 -2.1159 0.0000 C 0 0 -1.6236 -2.5246 0.0000 C 0 0 -4.4933 -4.9954 0.0000 C 0 0 -5.2077 -4.5829 0.0000 C 0 0 -5.2066 -3.7560 0.0000 C 0 0 -4.4926 -3.3425 0.0000 C 0 0 -4.4946 -2.5195 0.0000 C 0 0 -5.2099 -2.1088 0.0000 C 0 0 -5.9246 -2.5273 0.0000 C 0 0 -5.9190 -3.3489 0.0000 C 0 0 1 2 1 0 1 6 1 0 2 3 1 0 8 13 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 5 8 1 0 3 4 1 0 4 5 2 0 14 15 1 0 5 6 1 0 16 15 2 0 16 17 1 0 3 7 2 0 17 18 1 0 8 9 1 0 18 19 2 0 14 2 2 0 19 20 1 0 1 17 2 0 20 21 2 0 21 16 1 0 M END > CHEMBL1795743 > 0 $$$$ CHEMBL3663741 SciTegic12291823182D 34 39 0 0 1 0 999 V2000 -5.5861 -4.5313 0.0000 C 0 0 -4.4115 -4.2856 0.0000 C 0 0 -3.9422 -2.8601 0.0000 O 0 0 -2.4731 -2.5529 0.0000 C 0 0 -1.6734 -3.4476 0.0000 O 0 0 -2.0045 -1.1298 0.0000 C 0 0 -2.8792 0.0850 0.0000 N 0 0 -2.0045 1.2999 0.0000 C 0 0 -0.5831 0.8382 0.0000 C 0 0 0.7168 1.5915 0.0000 C 0 0 1 0 0 0 0.7229 3.0922 0.0000 C 0 0 1.9349 3.9538 0.0000 C 0 0 1.4690 5.3797 0.0000 C 0 0 -0.0310 5.3772 0.0000 C 0 0 -0.9162 6.5860 0.0000 S 0 0 -2.4083 6.4245 0.0000 C 0 0 -3.3770 7.5200 0.0000 N 0 0 -4.7464 6.9243 0.0000 C 0 0 -6.1110 7.5568 0.0000 C 0 0 -7.3405 6.6636 0.0000 C 0 0 -7.1910 5.1761 0.0000 C 0 0 -5.8084 4.5455 0.0000 C 0 0 -4.5969 5.4368 0.0000 C 0 0 -3.1364 5.1255 0.0000 N 0 0 -0.4922 3.9498 0.0000 O 0 0 1.9924 0.8382 0.0000 C 0 0 1.9924 -0.6682 0.0000 C 0 0 3.3044 -1.4214 0.0000 C 0 0 4.6043 -0.6682 0.0000 C 0 0 4.6043 0.8382 0.0000 C 0 0 3.3044 1.5915 0.0000 C 0 0 3.3068 2.7915 0.0000 O 0 0 0.7168 -1.4214 0.0000 N 0 0 -0.5831 -0.6682 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 1 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 18 23 1 0 23 24 1 0 16 24 1 0 14 25 1 0 11 25 1 0 10 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 26 31 1 0 31 32 2 0 27 33 1 0 33 34 1 0 6 34 2 0 9 34 1 0 M END > CHEMBL3663741 > 1 $$$$ CHEMBL2132713 SciTegic12291823182D 30 34 0 0 0 0 999 V2000 -2.1960 -2.7540 0.0000 F 0 0 -2.0330 0.6210 0.0000 N 0 0 -0.7210 0.6960 0.0000 N 0 0 -0.0080 1.9330 0.0000 N 0 0 -0.7250 3.1960 0.0000 N 0 0 -1.4330 1.9330 0.0000 C 0 0 -1.4330 1.1080 0.0000 C 0 0 -2.5960 1.9080 0.0000 C 0 0 -0.7210 2.3460 0.0000 C 0 0 -2.5580 1.1580 0.0000 C 0 0 -2.0710 -0.2170 0.0000 C 0 0 -3.1960 2.4630 0.0000 C 0 0 -0.0080 1.1080 0.0000 C 0 0 -2.8250 -0.6130 0.0000 C 0 0 -1.3710 -0.6880 0.0000 C 0 0 0.0040 3.6210 0.0000 C 0 0 -3.9830 2.2250 0.0000 C 0 0 -3.0080 3.2710 0.0000 C 0 0 -0.0080 4.4670 0.0000 C 0 0 -2.8710 -1.4630 0.0000 C 0 0 -1.4080 -1.5250 0.0000 C 0 0 -2.1580 -1.9170 0.0000 C 0 0 -4.5830 2.7830 0.0000 C 0 0 -3.6080 3.8330 0.0000 C 0 0 0.7380 3.2080 0.0000 C 0 0 -4.4080 3.5960 0.0000 C 0 0 0.7250 4.8920 0.0000 C 0 0 1.4670 3.6330 0.0000 C 0 0 1.4540 4.4790 0.0000 C 0 0 -0.7460 4.8790 0.0000 C 0 0 1 22 1 0 2 7 1 0 2 10 1 0 2 11 1 0 3 7 1 0 3 13 2 0 4 9 2 0 4 13 1 0 5 9 1 0 5 16 1 0 6 7 2 0 6 8 1 0 6 9 1 0 8 10 2 0 8 12 1 0 11 14 2 0 11 15 1 0 12 17 2 0 12 18 1 0 14 20 1 0 15 21 2 0 16 19 2 0 16 25 1 0 17 23 1 0 18 24 2 0 19 27 1 0 19 30 1 0 20 22 2 0 21 22 1 0 23 26 2 0 24 26 1 0 25 28 2 0 27 29 2 0 28 29 1 0 M END > CHEMBL2132713 > 0 $$$$