Structure106 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 M END > (102) 106 > (102) C11H8N4O > (102) 212.20742 > (102) GSK-3 > (102) 164 > (102) 18232649 > (102) 1800 > (102) 2008 > (102) 100 $$$$ triazolo[1,5-a]pyrimidine 6 csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.0625 2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 1.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 1.1437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4914 0.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5055 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -1.3313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 0.1648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9888 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 3.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 2.7938 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1633 3.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7789 2.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -1.3347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0598 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 -1.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 -0.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 18 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 15 12 2 0 0 0 0 11 16 2 0 0 0 0 16 12 1 0 0 0 0 11 14 1 0 0 0 0 10 21 1 0 0 0 0 18 17 1 0 0 0 0 18 20 2 0 0 0 0 18 19 2 0 0 0 0 21 22 1 0 0 0 0 26 22 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (1,014) 1208 > (1,014) C17H20N6O3S > (1,014) 388.4441 > (1,014) GSK-3b > (1,014) 11448 > (1,014) 190 > (1,014) 1012 $$$$ indirubin deriv. 7a csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 3.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 M END > (1,020) 1216 > (1,020) C16H10BrN3O2 > (1,020) 356.1735 > (1,020) GSK-3b > (1,020) 7401 > (1,020) 5 > (1,020) 1018 $$$$ indirubin deriv. 5c csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 20 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 21 1 0 0 0 0 M END > (1,021) 1217 > (1,021) C16H9IN2O2 > (1,021) 388.15933 > (1,021) GSK-3b > (1,021) 7409 > (1,021) 55 > (1,021) 1019 $$$$ Structure107 csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > (103) 107 > (103) C12H10N4O > (103) 226.234 > (103) GSK-3 > (103) 167 > (103) 18232649 > (103) 1100 > (103) 2008 > (103) 101 $$$$ indirubin deriv. 7d csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 M END > (1,022) 1218 > (1,022) C16H10ClN3O2 > (1,022) 311.7225 > (1,022) GSK-3b > (1,022) 7407 > (1,022) 20 > (1,022) 1020 $$$$ indirubin deriv. 9a csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2095 4.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (1,025) 1221 > (1,025) C17H12BrN3O2 > (1,025) 370.20008 > (1,025) GSK-3b > (1,025) 7403 > (1,025) 30 > (1,025) 1023 $$$$ indirubin deriv. 7i csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 3.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 22 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 M END > (1,026) 1222 > (1,026) C18H13N3O2 > (1,026) 303.31472 > (1,026) GSK-3b > (1,026) 7413 > (1,026) 60 > (1,026) 1024 $$$$ indirubin deriv. 5i csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 3.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 20 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > (1,027) 1223 > (1,027) C18H12N2O2 > (1,027) 288.30008 > (1,027) GSK-3b > (1,027) 7412 > (1,027) 240 > (1,027) 1025 $$$$ indirubin deriv. 8c csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 5.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 M END > (1,028) 1224 > (1,028) C18H12IN3O3 > (1,028) 445.21065 > (1,028) GSK-3b > (1,028) 7411 > (1,028) 13 > (1,028) 1026 $$$$ indirubin deriv. 7c csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 M END > (1,029) 1225 > (1,029) C16H10IN3O2 > (1,029) 403.17397 > (1,029) GSK-3b > (1,029) 7410 > (1,029) 10 > (1,029) 1027 $$$$ indirubin deriv. 8i csChFnd80/03251016502D 26 29 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5425 3.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0106 4.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 5.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 4.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 22 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 M END > (1,030) 1226 > (1,030) C20H15N3O3 > (1,030) 345.3514 > (1,030) GSK-3b > (1,030) 7414 > (1,030) 65 > (1,030) 1028 $$$$ indirubin deriv. 5b csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 20 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 21 1 0 0 0 0 M END > (1,031) 1227 > (1,031) C16H9FN2O2 > (1,031) 280.2532632 > (1,031) GSK-3b > (1,031) 7415 > (1,031) 650 > (1,031) 1029 $$$$ Structure108 csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 2.4249 3.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.8600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 4.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 3.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 5.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 6.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 6.0151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 7.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 8.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9715 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 1.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 0.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7179 0.7021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0255 7.9447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 0 0 0 0 18 8 1 0 0 0 0 9 8 1 0 0 0 0 19 18 2 0 0 0 0 20 9 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 20 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > (104) 108 > (104) C15H13N7O > (104) 307.31002 > (104) GSK-3 > (104) 170 > (104) 18232649 > (104) 70 > (104) 2008 > (104) 102 $$$$ indirubin deriv. 7b csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 3.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 M END > (1,032) 1228 > (1,032) C16H10FN3O2 > (1,032) 295.2679032 > (1,032) GSK-3b > (1,032) 7416 > (1,032) 130 > (1,032) 1030 $$$$ indirubin deriv. 8b csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 3.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 4.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0147 4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 M END > (1,033) 1229 > (1,033) C18H12FN3O3 > (1,033) 337.3045832 > (1,033) GSK-3b > (1,033) 7417 > (1,033) 90 > (1,033) 1031 $$$$ indirubin deriv. 7f csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 4.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 3.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 22 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 1 0 0 0 0 M END > (1,036) 1232 > (1,036) C17H12BrN3O2 > (1,036) 370.20008 > (1,036) GSK-3b > (1,036) 7421 > (1,036) 6 > (1,036) 1034 $$$$ indirubin deriv. 7e csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 3.6328 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 4.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 22 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 1 0 0 0 0 M END > (1,037) 1233 > (1,037) C16H9Cl2N3O2 > (1,037) 346.16756 > (1,037) GSK-3b > (1,037) 7424 > (1,037) 4 > (1,037) 1035 $$$$ Structure111 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 M END > (105) 111 > (105) C16H11N3O2 > (105) 277.27744 > (105) GSK-3 > (105) 176 > (105) 19665384 > (105) 80 > (105) 2009 > (105) 103 $$$$ 9-methoxypaullone csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (1,043) 1239 > (1,043) C17H14N2O2 > (1,043) 278.30526 > (1,043) GSK-3b > (1,043) 7301 > (1,043) 2200 > (1,043) 1041 $$$$ 2-iodo-9-trifluoromethylpaullone csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 9 24 1 0 0 0 0 M END > (1,046) 1242 > (1,046) C17H10F3IN2O > (1,046) 442.1737796 > (1,046) GSK-3b > (1,046) 7302 > (1,046) 2200 > (1,046) 1044 $$$$ 8,10-dichloropaullone csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 1.5934 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -1.2632 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 13 1 0 0 0 0 11 12 2 0 0 0 0 12 19 1 0 0 0 0 19 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 18 2 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 M END > (1,047) 1243 > (1,047) C16H10Cl2N2O > (1,047) 317.1694 > (1,047) GSK-3b > (1,047) 7306 > (1,047) 5000 > (1,047) 1045 $$$$ fisetin csChFnd80/03251016502D 21 23 0 0 0 0 0 0 0 0999 V2000 -3.7813 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2102 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 3 5 1 0 0 0 0 8 6 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 13 9 1 0 0 0 0 9 10 2 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 9 14 1 0 0 0 0 15 14 1 0 0 0 0 14 16 2 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 0 0 0 0 M END > (1,050) 1249 > (1,050) C15H10O6 > (1,050) 286.2363 > (1,050) GSK-3b > (1,050) 7457 > (1,050) 420 > (1,050) 1048 $$$$ Structure112 csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3008 8.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 9.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 7.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M END > (106) 112 > (106) C18H13N3O3 > (106) 319.31412 > (106) GSK-3 > (106) 178 > (106) 19665384 > (106) 7.5 > (106) 2009 > (106) 104 $$$$ chrysin csChFnd80/03251016502D 19 21 0 0 0 0 0 0 0 0999 V2000 -3.7813 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2102 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0668 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6379 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 3 5 1 0 0 0 0 8 6 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 12 9 1 0 0 0 0 9 10 2 0 0 0 0 8 11 2 0 0 0 0 9 13 1 0 0 0 0 14 13 1 0 0 0 0 13 15 2 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 1 19 1 0 0 0 0 M END > (1,054) 1253 > (1,054) C15H10O4 > (1,054) 254.2375 > (1,054) GSK-3b > (1,054) 7461 > (1,054) 7200 > (1,054) 1052 $$$$ 20x csChFnd80/03251016502D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.3082 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 3.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 2.3528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 1.7138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 2.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1656 3.8156 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7531 4.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 4.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 5.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 5.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 3.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7219 4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 5.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4063 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 1.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9053 0.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 2.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 4.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 3.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9759 2.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 3.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 4.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 4.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8582 5.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 6.6786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 5 2 2 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 11 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 10 15 1 0 0 0 0 16 1 2 0 0 0 0 1 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 21 20 1 0 0 0 0 20 19 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 21 24 1 0 0 0 0 26 24 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 15 32 3 0 0 0 0 M END > (1,057) 1256 > (1,057) C24H17N5O2S > (1,057) 439.48908 > (1,057) GSK-3b > (1,057) 31587 > (1,057) 2.3 > (1,057) 1055 $$$$ Paullone Analogue 71 csChFnd80/03251016502D 19 22 0 0 0 0 0 0 0 0999 V2000 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 0.0514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15 5 1 0 0 0 0 3 18 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 10 7 1 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 9 13 1 0 0 0 0 2 14 2 0 0 0 0 3 2 1 0 0 0 0 19 15 1 0 0 0 0 17 19 1 0 0 0 0 16 17 2 0 0 0 0 15 18 2 0 0 0 0 16 18 1 0 0 0 0 M END > (1,060) 1260 > (1,060) C14H9BrN2OS > (1,060) 333.20306 > (1,060) GSK-3b > (1,060) 7336 > (1,060) 120 > (1,060) 1058 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 37 csChFnd80/03251016502D 19 21 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 M END > (1,061) 1261 > (1,061) C15H14ClN3 > (1,061) 271.74476 > (1,061) GSK-3b > (1,061) 7370 > (1,061) 750 > (1,061) 1059 $$$$ Structure115 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 3.6373 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0954 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3865 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7639 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8641 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 5 22 1 0 0 0 0 M END > (107) 115 > (107) C16H10BrN3O2 > (107) 356.1735 > (107) GSK-3 > (107) 184 > (107) 19665384 > (107) 440 > (107) 2009 > (107) 105 $$$$ 9-bromopaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 M END > (1,063) 1263 > (1,063) C16H11BrN2O > (1,063) 327.17534 > (1,063) GSK-3b > (1,063) 7266 > (1,063) 23 > (1,063) 1061 $$$$ Structure116 csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 3.6373 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0954 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3865 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7639 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8641 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.7470 8.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0796 7.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7470 9.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 5 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 M END > (108) 116 > (108) C18H12BrN3O3 > (108) 398.21018 > (108) GSK-3 > (108) 186 > (108) 19665384 > (108) 73 > (108) 2009 > (108) 106 $$$$ Debromohymenialdisine (DBH) csChFnd80/03251016502D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.3125 3.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9799 2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 2.0260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6451 2.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8727 3.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 1.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1645 2.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 3.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0683 5.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0817 4.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6699 3.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 5.1382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 4.4779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4764 5.9465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6239 1.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 0.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 6 4 1 0 0 0 0 5 4 2 0 0 0 0 5 7 1 0 0 0 0 9 6 1 0 0 0 0 7 17 1 0 0 0 0 17 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 2 0 0 0 0 15 10 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 12 13 2 0 0 0 0 11 16 1 0 0 0 0 7 18 2 0 0 0 0 M END > (1,072) 1272 > (1,072) C11H11N5O2 > (1,072) 245.23734 > (1,072) GSK-3b > (1,072) 16591 > (1,072) 168 > (1,072) 1070 $$$$ Structure118 csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 3.6373 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0954 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3865 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7639 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1414 7.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5132 8.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 5.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8641 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 20 24 1 0 0 0 0 5 25 1 0 0 0 0 M END > (109) 118 > (109) C16H9BrN4O4 > (109) 401.17106 > (109) GSK-3 > (109) 192 > (109) 19665384 > (109) 55 > (109) 2009 > (109) 107 $$$$ Structure120 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (110) 120 > (110) C16H12N4O2 > (110) 292.29208 > (110) GSK-3 > (110) 196 > (110) 19665384 > (110) 360 > (110) 2009 > (110) 108 $$$$ Structure121 csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3008 8.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 7.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 9.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 M END > (111) 121 > (111) C18H14N4O3 > (111) 334.32876 > (111) GSK-3 > (111) 198 > (111) 19665384 > (111) 350 > (111) 2009 > (111) 109 $$$$ Structure122 csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 3.6373 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0954 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3865 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7639 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 7.2723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 5.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8641 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 12 21 1 0 0 0 0 20 22 1 0 0 0 0 5 23 1 0 0 0 0 M END > (112) 122 > (112) C16H11BrN4O2 > (112) 371.18814 > (112) GSK-3 > (112) 200 > (112) 19665384 > (112) 6600 > (112) 2009 > (112) 110 $$$$ Structure126 csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 6.4071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6323 7.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 5.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 10 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 20 24 1 0 0 0 0 M END > (114) 126 > (114) C16H10N4O4 > (114) 322.275 > (114) GSK-3 > (114) 210 > (114) 19665384 > (114) 40 > (114) 2009 > (114) 112 $$$$ Structure127 csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 3.6373 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0954 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3865 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7639 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7235 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1358 6.4071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8447 7.7765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4673 5.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 5.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8641 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 10 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 20 24 1 0 0 0 0 5 25 1 0 0 0 0 M END > (115) 127 > (115) C16H9BrN4O4 > (115) 401.17106 > (115) GSK-3 > (115) 212 > (115) 19665384 > (115) 700 > (115) 2009 > (115) 113 $$$$ Structure128 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 6.4071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 15 13 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 18 2 0 0 0 0 17 19 2 0 0 0 0 7 20 2 0 0 0 0 10 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (116) 128 > (116) C16H12N4O2 > (116) 292.29208 > (116) GSK-3 > (116) 214 > (116) 19665384 > (116) 180 > (116) 2009 > (116) 114 $$$$ Structure146 csChFnd80/03251016502D 25 27 0 0 0 0 0 0 0 0999 V2000 4.9958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4207 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4207 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 4.1694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 3.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 6.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6331 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8456 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 6.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 7.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 7.9531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 9.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 6.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6331 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 11 3 1 0 0 0 0 5 3 1 0 0 0 0 12 11 1 0 0 0 0 13 5 1 0 0 0 0 13 12 2 0 0 0 0 9 14 2 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 12 15 1 0 0 0 0 7 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 18 25 1 0 0 0 0 M END > (125) 146 > (125) C17H22N6OS > (125) 358.46118 > (125) GSK-3 > (125) 248 > (125) 16644220 > (125) 5600 > (125) 2006 > (125) 123 $$$$ Structure227 csChFnd80/03251016502D 22 24 0 0 0 0 0 0 0 0999 V2000 7.0958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0958 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5207 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5207 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9456 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3083 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5923 4.1694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6306 3.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 6.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 5.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 2 0 0 0 0 14 3 1 0 0 0 0 5 3 1 0 0 0 0 15 14 1 0 0 0 0 16 5 1 0 0 0 0 16 15 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (194) 227 > (194) C15H16N4O2S > (194) 316.37814 > (194) GSK-3 > (194) 344 > (194) 17981370 > (194) 640 > (194) 2008 > (194) 192 $$$$ Structure228 csChFnd80/03251016502D 26 29 0 0 0 0 0 0 0 0999 V2000 9.8958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3207 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3207 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5331 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7456 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3923 4.1694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 3.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 6.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 5.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 2 0 0 0 0 14 3 1 0 0 0 0 5 3 1 0 0 0 0 15 14 1 0 0 0 0 16 5 1 0 0 0 0 16 15 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 20 21 1 0 0 0 0 M END > (195) 228 > (195) C19H16N4O2S > (195) 364.42094 > (195) GSK-3 > (195) 348 > (195) 17981370 > (195) 170 > (195) 2008 > (195) 193 $$$$ Structure229 csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 9.8958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3207 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3207 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5331 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7456 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3923 4.1694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 3.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 6.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 5.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 2 0 0 0 0 14 3 1 0 0 0 0 5 3 1 0 0 0 0 15 14 1 0 0 0 0 16 5 1 0 0 0 0 16 15 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 23 22 1 0 0 0 0 24 22 2 0 0 0 0 25 23 2 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 27 26 2 0 0 0 0 21 22 1 0 0 0 0 M END > (196) 229 > (196) C20H18N4O2S > (196) 378.44752 > (196) GSK-3 > (196) 350 > (196) 17981370 > (196) 300 > (196) 2008 > (196) 194 $$$$ Structure232 csChFnd80/03251016502D 24 26 0 0 0 0 0 0 0 0999 V2000 9.1958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1958 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6207 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6207 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4083 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4083 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8331 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0456 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4083 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6923 4.1694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 3.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 6.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 5.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8331 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 2 0 0 0 0 14 3 1 0 0 0 0 5 3 1 0 0 0 0 15 14 1 0 0 0 0 16 5 1 0 0 0 0 16 15 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 11 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (199) 232 > (199) C17H20N4O2S > (199) 344.4313 > (199) GSK-3 > (199) 356 > (199) 17981370 > (199) 280 > (199) 2008 > (199) 197 $$$$ Structure233 csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 9.8958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8958 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3207 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3207 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5331 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7456 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3923 4.1694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 3.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 6.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 5.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5331 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 2 0 0 0 0 14 3 1 0 0 0 0 5 3 1 0 0 0 0 15 14 1 0 0 0 0 16 5 1 0 0 0 0 16 15 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 11 20 1 0 0 0 0 19 21 1 0 0 0 0 23 22 1 0 0 0 0 24 22 2 0 0 0 0 25 23 2 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 27 26 2 0 0 0 0 21 22 1 0 0 0 0 M END > (200) 233 > (200) C20H18N4O2S > (200) 378.44752 > (200) GSK-3 > (200) 358 > (200) 17981370 > (200) 130 > (200) 2008 > (200) 198 $$$$ Structure1 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 20.4448 -11.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4448 -12.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2930 -10.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2930 -13.1237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1412 -11.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1412 -12.4587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7097 -10.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4914 -11.7937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7097 -12.8697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1206 -9.4529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9894 -10.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8376 -11.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9894 -9.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6858 -10.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8376 -8.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6858 -9.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2930 -9.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1412 -8.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4448 -8.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1413 -7.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4449 -7.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2931 -6.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 1 2 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 5 11 1 0 0 0 0 18 17 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 22 21 2 0 0 0 0 3 17 1 0 0 0 0 M END > (3) 1 > (3) C17H13N5 > (3) 287.31862 > (3) GSK-3 > (3) 1 > (3) 17707953 > (3) 250 > (3) 2008 > (3) 1 $$$$ Structure238 csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 9.8959 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8959 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6835 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6835 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4710 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3208 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3208 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5332 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7456 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3924 4.1694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0001 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 3.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0001 6.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9001 5.5282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2001 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5332 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 4.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 3.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 5.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 9 13 2 0 0 0 0 14 3 1 0 0 0 0 5 3 1 0 0 0 0 15 14 1 0 0 0 0 16 5 1 0 0 0 0 16 15 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 11 21 1 0 0 0 0 23 22 1 0 0 0 0 24 22 2 0 0 0 0 25 23 2 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 27 26 2 0 0 0 0 20 22 1 0 0 0 0 M END > (205) 238 > (205) C20H19N5OS > (205) 377.46276 > (205) GSK-3 > (205) 368 > (205) 17981370 > (205) 520 > (205) 2008 > (205) 203 $$$$ Structure240 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 2.9662 7.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0996 8.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 6.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 7.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7978 6.3105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 7.6448 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 6.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2642 5.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6314 7.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 6.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9299 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 9.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2629 4.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4746 3.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 3.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 1.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 1.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2434 0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 3 1 2 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 2 0 0 0 0 5 4 1 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 11 10 2 0 0 0 0 2 12 2 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 8 13 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (207) 240 > (207) C16H11NO3S > (207) 297.32844 > (207) GSK-3 > (207) 384 > (207) 18586356 > (207) 1500 > (207) 2009 > (207) 205 $$$$ Structure243 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 2.7469 7.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8803 8.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 6.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0122 7.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 6.2768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 7.6111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0449 5.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 7.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8437 6.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7106 5.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 9.9182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0436 4.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 3.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 3.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0409 1.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0241 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8844 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8747 10.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 3 1 2 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 2 0 0 0 0 5 4 1 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 11 10 2 0 0 0 0 2 12 2 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 8 13 1 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > (208) 243 > (208) C16H13N3O3 > (208) 295.29272 > (208) GSK-3 > (208) 397 > (208) 18586356 > (208) 5500 > (208) 2009 > (208) 206 $$$$ Structure251 csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 3.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 1.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 5.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7709 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7709 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3461 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 3.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 1.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5820 0.3359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9834 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 2 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 19 18 1 0 0 0 0 19 20 2 0 0 0 0 8 18 2 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 5 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (216) 251 > (216) C18H14N2O4 > (216) 322.31476 > (216) GSK-3 > (216) 410 > (216) 15163202 > (216) 6000 > (216) 2004 > (216) 214 $$$$ Structure252 csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 2 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 8 17 2 0 0 0 0 M END > (217) 252 > (217) C16H10N2O2 > (217) 262.2628 > (217) GSK-3 > (217) 412 > (217) 15163202 > (217) 2500 > (217) 2004 > (217) 215 $$$$ Structure253 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 4.8497 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5989 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2270 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4041 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2270 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7944 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 2 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 8 17 2 0 0 0 0 5 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (218) 253 > (218) C17H12N2O3 > (218) 292.28878 > (218) GSK-3 > (218) 414 > (218) 15163202 > (218) 600 > (218) 2004 > (218) 216 $$$$ Structure254 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 7.2604 7.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9289 7.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 4 3 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 11 10 1 0 0 0 0 9 12 2 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 21 20 1 0 0 0 0 20 22 2 0 0 0 0 10 19 2 0 0 0 0 1 13 1 0 0 0 0 M END > (219) 254 > (219) C17H12N2O3 > (219) 292.28878 > (219) GSK-3 > (219) 416 > (219) 15163202 > (219) 800 > (219) 2004 > (219) 217 $$$$ Structure255 csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 9.6853 7.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3538 7.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1812 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9763 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9359 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5989 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2270 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4041 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2270 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7944 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 4 3 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 11 10 1 0 0 0 0 9 12 2 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 21 20 1 0 0 0 0 20 22 2 0 0 0 0 10 19 2 0 0 0 0 1 13 1 0 0 0 0 7 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (220) 255 > (220) C18H14N2O4 > (220) 322.31476 > (220) GSK-3 > (220) 418 > (220) 15163202 > (220) 200 > (220) 2004 > (220) 218 $$$$ Structure257 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5515 5.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8830 5.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 4.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 1.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1336 1.7641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 7.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 2 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 19 18 1 0 0 0 0 18 20 2 0 0 0 0 8 17 2 0 0 0 0 11 21 1 0 0 0 0 M END > (222) 257 > (222) C17H12N2O2 > (222) 276.28938 > (222) GSK-3 > (222) 420 > (222) 15163202 > (222) 800 > (222) 2004 > (222) 220 $$$$ Structure2 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 6.0622 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 2.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2165 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3936 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8262 3.8640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 2 1 2 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 5 11 1 0 0 0 0 M END > (4) 2 > (4) C11H9N5 > (4) 211.22266 > (4) GSK-3 > (4) 2 > (4) 17707953 > (4) 530 > (4) 2008 > (4) 2 $$$$ Structure439 csChFnd80/03251016502D 19 21 0 0 0 0 0 0 0 0999 V2000 4.6489 1.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 1.6764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5544 3.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 4.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 4.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 5.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 6.4258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 6.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 7.8202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5405 8.1317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 8.7413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6529 6.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 4.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 1.8052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9378 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 12 11 2 0 0 0 0 6 8 2 0 0 0 0 11 13 1 0 0 0 0 10 14 2 0 0 0 0 1 15 2 0 0 0 0 16 4 1 0 0 0 0 2 4 2 0 0 0 0 17 16 2 0 0 0 0 18 2 1 0 0 0 0 18 17 1 0 0 0 0 17 19 1 0 0 0 0 M END > (367) 439 > (367) C11H10BrN5O2 > (367) 324.1334 > (367) GSK-3b > (367) 619 > (367) 14698171 > (367) 10 > (367) 2004 > (367) 365 $$$$ Structure440 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 2.4250 3.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 3.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 2.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 1.2120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 4.4362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5403 5.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9794 2.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 3.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8024 1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1338 3.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 1.6449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4247 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5111 4.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5516 5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 3.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8829 5.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3693 6.8315 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 7 10 2 0 0 0 0 10 11 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 1 0 0 0 0 8 12 2 0 0 0 0 14 17 2 0 0 0 0 18 13 1 0 0 0 0 15 13 2 0 0 0 0 19 18 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 19 22 1 0 0 0 0 M END > (368) 440 > (368) C16H10IN3O2 > (368) 403.17397 > (368) GSK-3b > (368) 621 > (368) 14698171 > (368) 9 > (368) 2004 > (368) 366 $$$$ Structure444 csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 3.9370 2.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 3.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 3.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 5.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 5.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2444 7.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 1.4409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5652 2.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3011 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2383 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 1.3166 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 5.2133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 2.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 3 1 0 0 0 0 1 3 2 0 0 0 0 11 1 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 10 9 2 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 13 16 1 0 0 0 0 17 4 2 0 0 0 0 2 4 1 0 0 0 0 18 17 1 0 0 0 0 19 2 2 0 0 0 0 20 18 2 0 0 0 0 20 19 1 0 0 0 0 M END > (372) 444 > (372) C15H10BrN3O > (372) 328.1634 > (372) GSK-3b > (372) 629 > (372) 14698171 > (372) 6000 > (372) 2004 > (372) 370 $$$$ Structure445 csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 3.9370 2.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 3.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1983 3.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5098 4.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 5.8952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6370 5.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2444 7.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 2.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 1.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1249 1.4409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5652 2.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3011 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2383 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 1.3166 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0263 5.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 2.4835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3115 2.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 9 3 1 0 0 0 0 1 3 2 0 0 0 0 11 1 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 10 9 2 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 13 16 1 0 0 0 0 17 4 2 0 0 0 0 2 4 1 0 0 0 0 18 17 1 0 0 0 0 19 2 2 0 0 0 0 20 18 2 0 0 0 0 20 19 1 0 0 0 0 M END > (373) 445 > (373) C15H10BrN3O > (373) 328.1634 > (373) GSK-3b > (373) 631 > (373) 14698171 > (373) 18 > (373) 2004 > (373) 371 $$$$ Structure518 csChFnd80/03251016502D 28 31 0 0 0 0 0 0 0 0999 V2000 5.5629 9.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8418 9.8338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7092 7.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7786 8.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 7.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 9.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1710 8.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6688 6.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8152 5.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 7.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5362 4.9735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5994 6.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5994 8.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 8.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 6.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 7.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 3.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9136 3.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 1.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 1.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6481 6.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 6.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8252 5.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6098 4.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3946 3.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 3.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8633 7.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 1 6 2 0 0 0 0 4 7 2 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 3 8 1 0 0 0 0 13 10 1 0 0 0 0 12 10 2 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 5 21 1 0 0 0 0 22 27 1 0 0 0 0 20 28 1 0 0 0 0 M END > (433) 518 > (433) C21H19N3O4 > (433) 377.39326 > (433) GSK-3b > (433) 745 > (433) 15149684 > (433) 45 > (433) 2004 > (433) 431 $$$$ Structure521 csChFnd80/03251016502D 35 38 0 0 0 0 0 0 0 0999 V2000 6.8944 12.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1733 13.5094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0407 11.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1101 12.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4101 11.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 13.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5024 12.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0003 10.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1466 9.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 10.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8677 8.6491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 9.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 12.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 12.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 9.6895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 10.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 7.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 6.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 5.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 5.0450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9795 9.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3719 9.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 8.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9413 8.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7261 7.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1184 7.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 3.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1948 10.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 2.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0808 1.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7114 1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4502 1.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7897 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5871 10.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 1 6 2 0 0 0 0 4 7 2 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 3 8 1 0 0 0 0 13 10 1 0 0 0 0 12 10 2 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 5 21 1 0 0 0 0 20 27 1 0 0 0 0 25 23 1 0 0 0 0 22 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 28 35 1 0 0 0 0 M END > (436) 521 > (436) C26H28N4O5 > (436) 476.52432 > (436) GSK-3b > (436) 748 > (436) 15149684 > (436) 7 > (436) 2004 > (436) 434 $$$$ Structure528 csChFnd80/03251016502D 31 34 0 0 0 0 0 0 0 0999 V2000 5.2718 8.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5508 8.6477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4181 6.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 7.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 6.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 8.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8799 7.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3777 5.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 4.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 6.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2451 3.7873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 4.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 7.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 7.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9083 4.8278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 6.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 2.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6226 1.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3187 3.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4958 2.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7493 4.9695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 2.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3570 5.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5341 3.9832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 4.1296 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0653 1.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 0.7095 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3442 1.8484 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6347 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 5 4 1 0 0 0 0 1 6 2 0 0 0 0 4 7 2 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 3 8 1 0 0 0 0 13 10 1 0 0 0 0 12 10 2 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 5 25 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 M END > (443) 528 > (443) C20H14ClF3N4O3 > (443) 450.7983696 > (443) GSK-3b > (443) 755 > (443) 15149684 > (443) 26 > (443) 2004 > (443) 441 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 23 csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 0.4008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 3 0 0 0 0 M END > (901) 1074 > (901) C13H8N4 > (901) 220.22942 > (901) GSK-3b > (901) 7355 > (901) 4800 > (901) 899 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 24 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 M END > (902) 1075 > (902) C13H11N3 > (902) 209.24654 > (902) GSK-3b > (902) 7356 > (902) 2600 > (902) 900 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 27 csChFnd80/03251016502D 18 20 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 6 16 1 0 0 0 0 17 18 1 0 0 0 0 M END > (903) 1077 > (903) C14H13N3O > (903) 239.27252 > (903) GSK-3b > (903) 7358 > (903) 460 > (903) 901 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 21 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 M END > (904) 1078 > (904) C12H8BrN3 > (904) 274.11602 > (904) GSK-3b > (904) 7353 > (904) 6000 > (904) 902 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 22 csChFnd80/03251016502D 19 21 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 1.1295 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7632 0.4302 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -0.2985 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 M END > (905) 1079 > (905) C13H8F3N3 > (905) 263.2179296 > (905) GSK-3b > (905) 7354 > (905) 7200 > (905) 903 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 18 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 0.3714 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 M END > (906) 1080 > (906) C12H8FN3 > (906) 213.2104232 > (906) GSK-3b > (906) 7350 > (906) 1900 > (906) 904 $$$$ Paullone Analogue 74 csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 0.0514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -2.0460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14 5 1 0 0 0 0 3 17 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 10 7 1 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 9 19 1 0 0 0 0 2 13 2 0 0 0 0 3 2 1 0 0 0 0 18 14 1 0 0 0 0 16 18 1 0 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 15 17 1 0 0 0 0 19 20 3 0 0 0 0 M END > (907) 1081 > (907) C15H9N3OS > (907) 279.31646 > (907) GSK-3b > (907) 7339 > (907) 330 > (907) 905 $$$$ Paullone Analogue 73 csChFnd80/03251016502D 19 22 0 0 0 0 0 0 0 0999 V2000 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 0.0514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14 5 1 0 0 0 0 3 17 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 10 7 1 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 9 19 1 0 0 0 0 2 13 2 0 0 0 0 3 2 1 0 0 0 0 18 14 1 0 0 0 0 16 18 1 0 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 15 17 1 0 0 0 0 M END > (908) 1082 > (908) C14H9ClN2OS > (908) 288.75206 > (908) GSK-3b > (908) 7338 > (908) 400 > (908) 906 $$$$ Paullone Analogue 72 csChFnd80/03251016502D 19 22 0 0 0 0 0 0 0 0999 V2000 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 0.0514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 5 1 0 0 0 0 3 17 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 10 7 1 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 9 19 1 0 0 0 0 2 13 2 0 0 0 0 3 2 1 0 0 0 0 18 14 1 0 0 0 0 16 18 1 0 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 15 17 1 0 0 0 0 M END > (909) 1083 > (909) C15H12N2OS > (909) 268.33358 > (909) GSK-3b > (909) 7337 > (909) 1300 > (909) 907 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 14 csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 M END > (910) 1084 > (910) C13H11N3O > (910) 225.24594 > (910) GSK-3b > (910) 7346 > (910) 1100 > (910) 908 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 15 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 M END > (911) 1085 > (911) C12H9N3O > (911) 211.21936 > (911) GSK-3b > (911) 7347 > (911) 1200 > (911) 909 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4143 1.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 12 16 1 0 0 0 0 M END > (914) 1088 > (914) C12H9N3O > (914) 211.21936 > (914) GSK-3b > (914) 7343 > (914) 6500 > (914) 912 $$$$ Paullone Analogue 75 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 1.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 0.0514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4840 -1.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -2.6445 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14 5 1 0 0 0 0 3 17 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 10 7 1 0 0 0 0 7 8 2 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 9 19 1 0 0 0 0 2 13 2 0 0 0 0 3 2 1 0 0 0 0 18 14 1 0 0 0 0 16 18 1 0 0 0 0 15 16 2 0 0 0 0 14 17 2 0 0 0 0 15 17 1 0 0 0 0 19 21 1 0 0 0 0 19 20 2 0 0 0 0 M END > (915) 1089 > (915) C14H9N3O3S > (915) 299.30456 > (915) GSK-3b > (915) 7340 > (915) 35 > (915) 913 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 5 csChFnd80/03251016502D 15 17 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 M END > (916) 1090 > (916) C12H9N3 > (916) 195.21996 > (916) GSK-3b > (916) 7341 > (916) 2300 > (916) 914 $$$$ Paullone Analogue 62 csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -1.2113 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 -1.9920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -2.6132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 0 0 0 0 19 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 7 8 1 0 0 0 0 10 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 18 2 0 0 0 0 15 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (917) 1091 > (917) C16H10F3N3O > (917) 317.2653096 > (917) GSK-3b > (917) 7327 > (917) 5300 > (917) 915 $$$$ Paullone Analogue 64 csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4840 -1.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -2.6132 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19 1 1 0 0 0 0 19 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 7 8 1 0 0 0 0 10 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 18 2 0 0 0 0 15 22 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 M END > (918) 1092 > (918) C17H13N3O4 > (918) 323.30282 > (918) GSK-3b > (918) 7329 > (918) 70 > (918) 916 $$$$ Paullone Analogue 63 csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -2.0460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 0 0 0 0 19 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 7 8 1 0 0 0 0 10 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 18 2 0 0 0 0 15 22 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 3 0 0 0 0 M END > (919) 1093 > (919) C18H13N3O2 > (919) 303.31472 > (919) GSK-3b > (919) 7328 > (919) 130 > (919) 917 $$$$ Paullone Analogue 65 csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4840 -1.2113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -2.6132 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9915 -0.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 0 0 0 0 19 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 7 8 1 0 0 0 0 10 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 18 2 0 0 0 0 15 20 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (920) 1094 > (920) C17H13N3O4 > (920) 323.30282 > (920) GSK-3b > (920) 7330 > (920) 22 > (920) 918 $$$$ Paullone Analogue 67 csChFnd80/03251016502D 19 22 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 0 0 0 0 19 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 7 8 1 0 0 0 0 10 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 M END > (921) 1095 > (921) C15H11N3O > (921) 249.26734 > (921) GSK-3b > (921) 7332 > (921) 5500 > (921) 919 $$$$ Structure96 csChFnd80/03251016502D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 M END > (93) 96 > (93) C11H9N5 > (93) 211.22266 > (93) GSK-3 > (93) 128 > (93) 18232649 > (93) 630 > (93) 2008 > (93) 91 $$$$ Paullone Analogue 68 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4840 -1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -2.6132 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 17 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 7 8 1 0 0 0 0 9 6 1 0 0 0 0 6 7 1 0 0 0 0 7 18 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 16 14 1 0 0 0 0 19 16 2 0 0 0 0 14 20 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 M END > (922) 1096 > (922) C16H11N3O2S > (922) 309.34244 > (922) GSK-3b > (922) 7333 > (922) 600 > (922) 920 $$$$ Paullone Analogue 70 csChFnd80/03251016502D 27 29 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4204 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1349 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8494 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5638 1.0688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3125 0.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 0 0 0 0 17 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 6 7 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 16 14 1 0 0 0 0 18 16 2 0 0 0 0 14 19 1 0 0 0 0 7 20 2 0 0 0 0 8 7 1 0 0 0 0 1 24 1 0 0 0 0 24 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 M END > (923) 1097 > (923) C20H21BrClN3O2 > (923) 450.75664 > (923) GSK-3b > (923) 7335 > (923) 30 > (923) 921 $$$$ Paullone Analogue 53 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9412 -1.8325 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.9914 -0.1688 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 12 1 0 0 0 0 6 5 1 0 0 0 0 9 6 1 0 0 0 0 8 9 1 0 0 0 0 11 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 3 21 1 0 0 0 0 M END > (924) 1098 > (924) C16H10BrIN2O > (924) 453.07187 > (924) GSK-3b > (924) 7318 > (924) 4200 > (924) 922 $$$$ Paullone Analogue 54 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 -0.5813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 12 1 0 0 0 0 6 5 1 0 0 0 0 9 6 1 0 0 0 0 8 9 1 0 0 0 0 11 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 3 20 1 0 0 0 0 20 21 3 0 0 0 0 M END > (925) 1099 > (925) C17H11N3O > (925) 273.28874 > (925) GSK-3b > (925) 7319 > (925) 1300 > (925) 923 $$$$ Paullone Analogue 55 csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -1.2112 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 -1.9919 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -2.6132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 12 1 0 0 0 0 6 5 1 0 0 0 0 9 6 1 0 0 0 0 8 9 1 0 0 0 0 11 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 0 0 0 0 22 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 M END > (926) 1100 > (926) C18H13F3N2O2 > (926) 346.3032296 > (926) GSK-3b > (926) 7320 > (926) 240 > (926) 924 $$$$ Paullone Analogue 60 csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7059 -1.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -1.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -1.2113 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 -1.9920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -2.6132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 0 0 0 0 19 5 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 5 4 1 0 0 0 0 8 5 1 0 0 0 0 7 8 1 0 0 0 0 10 6 1 0 0 0 0 6 7 1 0 0 0 0 7 9 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 12 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 18 2 0 0 0 0 15 24 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M END > (927) 1102 > (927) C20H15F3N2O2 > (927) 372.3405096 > (927) GSK-3b > (927) 7325 > (927) 90 > (927) 925 $$$$ Paullone Analogue 57 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -3.5625 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 1.0688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 0.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 0.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 1.6456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3675 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -0.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9444 -0.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1317 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 -0.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9915 1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9411 -1.8325 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 12 1 0 0 0 0 6 5 1 0 0 0 0 9 6 1 0 0 0 0 8 9 1 0 0 0 0 11 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 21 1 0 0 0 0 2 20 1 0 0 0 0 M END > (928) 1103 > (928) C16H11BrN2O2 > (928) 343.17474 > (928) GSK-3b > (928) 7322 > (928) 18 > (928) 926 $$$$ indirubin deriv. 8h csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2095 4.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 5.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 4.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 20 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 M END > (930) 1105 > (930) C18H13N3O3 > (930) 319.31412 > (930) GSK-3b > (930) 7394 > (930) 200 > (930) 928 $$$$ indirubin deriv. 7h csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 20 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 M END > (931) 1106 > (931) C16H11N3O2 > (931) 277.27744 > (931) GSK-3b > (931) 7393 > (931) 22 > (931) 929 $$$$ Structure97 csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 M END > (94) 97 > (94) C11H9N5O > (94) 227.22206 > (94) GSK-3 > (94) 131 > (94) 18232649 > (94) 400 > (94) 2008 > (94) 92 $$$$ indirubin deriv. 13a csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 0.7687 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4231 3.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 21 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 4 20 1 0 0 0 0 21 22 1 0 0 0 0 M END > (932) 1107 > (932) C16H10BrN3O2 > (932) 356.1735 > (932) GSK-3b > (932) 7399 > (932) 340 > (932) 930 $$$$ indirubin deriv. 9b csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -2.5938 0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 2.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6098 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2152 1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 0.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 1.0371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 2.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 2.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 3.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 3.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 4 2 0 0 0 0 5 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 6 5 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 9 8 1 0 0 0 0 7 5 2 0 0 0 0 6 20 2 0 0 0 0 8 10 2 0 0 0 0 14 10 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 13 15 1 0 0 0 0 11 12 2 0 0 0 0 19 14 2 0 0 0 0 15 14 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > (934) 1109 > (934) C17H13N3O2 > (934) 291.30402 > (934) GSK-3b > (934) 7395 > (934) 150 > (934) 932 $$$$ Aloisine-Related Compound 3 csChFnd80/03251016502D 14 16 0 0 0 0 0 0 0 0999 V2000 -2.2770 1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 2.1063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.4562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 1.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 0.6139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 0.4967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 7 1 0 0 0 0 1 2 1 0 0 0 0 2 4 2 0 0 0 0 4 8 1 0 0 0 0 6 5 2 0 0 0 0 6 7 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 8 9 1 0 0 0 0 5 10 1 0 0 0 0 11 10 1 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 14 13 1 0 0 0 0 M END > (936) 1114 > (936) C10H7N3S > (936) 201.24768 > (936) GSK-3b > (936) 7381 > (936) 800 > (936) 934 $$$$ Aloisine-Related Compound 2 csChFnd80/03251016502D 14 16 0 0 0 0 0 0 0 0999 V2000 -2.2770 1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 2.1063 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.4562 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 1.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 1.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 0.6139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9139 1.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 0.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 1.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 0.4967 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 3 7 1 0 0 0 0 1 2 1 0 0 0 0 2 4 2 0 0 0 0 4 8 1 0 0 0 0 6 5 2 0 0 0 0 6 7 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 8 9 1 0 0 0 0 5 10 1 0 0 0 0 11 10 2 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 14 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > (937) 1115 > (937) C10H7N3S > (937) 201.24768 > (937) GSK-3b > (937) 7380 > (937) 1200 > (937) 935 $$$$ Meridianin A csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 -2.3750 2.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 1.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0895 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 3.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 1.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 2.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 1.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 1.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 0.8639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 4.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 3.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 4.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 3.5506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 4.5882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6272 4.9204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 8 2 0 0 0 0 1 5 1 0 0 0 0 7 6 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 9 1 0 0 0 0 8 6 1 0 0 0 0 7 11 1 0 0 0 0 15 11 2 0 0 0 0 11 13 1 0 0 0 0 16 12 2 0 0 0 0 16 14 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 12 17 1 0 0 0 0 M END > (939) 1119 > (939) C12H10N4O > (939) 226.234 > (939) GSK-3b > (939) 10838 > (939) 1300 > (939) 937 $$$$ 2-(3-hydroxy-1-propinyl)-9-trifluoromethylpaullone csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9161 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2143 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 -0.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 -0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1079 -0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 9 24 1 0 0 0 0 24 25 3 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 M END > (940) 1120 > (940) C20H13F3N2O2 > (940) 370.3246296 > (940) GSK-3b > (940) 7279 > (940) 200 > (940) 938 $$$$ 11-chloropaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 -1.3126 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END > (941) 1121 > (941) C16H11ClN2O > (941) 282.72434 > (941) GSK-3b > (941) 7278 > (941) 200 > (941) 939 $$$$ Structure98 csChFnd80/03251016502D 18 20 0 0 0 0 0 0 0 0999 V2000 2.6590 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4231 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7925 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2251 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5945 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4466 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > (95) 98 > (95) C12H11N5O > (95) 241.24864 > (95) GSK-3 > (95) 134 > (95) 18232649 > (95) 230 > (95) 2008 > (95) 93 $$$$ 9-methylpaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 M END > (942) 1122 > (942) C17H14N2O > (942) 262.30586 > (942) GSK-3b > (942) 7275 > (942) 130 > (942) 940 $$$$ 9-bromo-2,3-dihydroxypaullone csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 M END > (943) 1123 > (943) C16H11BrN2O3 > (943) 359.17414 > (943) GSK-3b > (943) 7274 > (943) 120 > (943) 941 $$$$ 2-bromopaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 9 20 1 0 0 0 0 M END > (945) 1125 > (945) C16H11BrN2O > (945) 327.17534 > (945) GSK-3b > (945) 7277 > (945) 200 > (945) 943 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 40 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > (946) 1126 > (946) C16H16ClN3 > (946) 285.77134 > (946) GSK-3b > (946) 7371 > (946) 5900 > (946) 944 $$$$ 10-bromopaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -1.2632 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 M END > (947) 1127 > (947) C16H11BrN2O > (947) 327.17534 > (947) GSK-3b > (947) 7276 > (947) 140 > (947) 945 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 47 csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 2.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4592 2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 2.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 6 16 1 0 0 0 0 16 18 1 0 0 0 0 15 17 1 0 0 0 0 20 18 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (948) 1128 > (948) C19H20ClN3 > (948) 325.8352 > (948) GSK-3b > (948) 7374 > (948) 8000 > (948) 946 $$$$ 9-bromo-12-methyloxycarbonylmethylpaullone csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 -1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1268 -1.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -2.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 M END > (949) 1129 > (949) C19H15BrN2O3 > (949) 399.238 > (949) GSK-3b > (949) 7271 > (949) 75 > (949) 947 $$$$ 2,3-dimethoxy-9-trifluoromethylpaullone csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 24 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M END > (950) 1130 > (950) C19H15F3N2O3 > (950) 376.3292096 > (950) GSK-3b > (950) 7270 > (950) 75 > (950) 948 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 44 csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 2.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4423 2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7919 1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 6 16 1 0 0 0 0 16 17 1 0 0 0 0 19 17 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > (951) 1131 > (951) C19H15N3 > (951) 285.3425 > (951) GSK-3b > (951) 7373 > (951) 1000 > (951) 949 $$$$ Structure99 csChFnd80/03251016502D 19 21 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 M END > (96) 99 > (96) C13H13N5O > (96) 255.27522 > (96) GSK-3 > (96) 137 > (96) 18232649 > (96) 30 > (96) 2008 > (96) 94 $$$$ 9-bromo-2,3-dimethoxypaullone csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 8 21 1 0 0 0 0 9 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 M END > (952) 1132 > (952) C18H15BrN2O3 > (952) 387.2273 > (952) GSK-3b > (952) 7273 > (952) 100 > (952) 950 $$$$ 9-fluoropaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 M END > (954) 1134 > (954) C16H11FN2O > (954) 266.2697432 > (954) GSK-3b > (954) 7272 > (954) 80 > (954) 952 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28 csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 6 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > (955) 1135 > (955) C13H11N3O > (955) 225.24594 > (955) GSK-3b > (955) 7375 > (955) 520 > (955) 953 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 39 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 6 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > (957) 1137 > (957) C16H17N3O > (957) 267.32568 > (957) GSK-3b > (957) 7377 > (957) 650 > (957) 955 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 29 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0633 1.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 6 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 M END > (958) 1139 > (958) C15H15N3O2 > (958) 269.2985 > (958) GSK-3b > (958) 7359 > (958) 2000 > (958) 956 $$$$ 3-(6-oxo-9-trifluoromethyl-5,6,7,12-tetrahydro-indolo[3,2-d]benzazepin-2-yl)-prop? csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9412 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3537 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7662 -0.8695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 9 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 3 0 0 0 0 M END > (960) 1141 > (960) C20H14F3N3O > (960) 369.3398696 > (960) GSK-3b > (960) 7269 > (960) 33 > (960) 958 $$$$ 9-trifluoromethylpaullone csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (961) 1142 > (961) C17H11F3N2O > (961) 316.2772496 > (961) GSK-3b > (961) 7268 > (961) 30 > (961) 959 $$$$ Structure100 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > (97) 100 > (97) C14H15N5O > (97) 269.3018 > (97) GSK-3 > (97) 140 > (97) 18232649 > (97) 25 > (97) 2008 > (97) 95 $$$$ 9-chloropaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 M END > (962) 1143 > (962) C16H11ClN2O > (962) 282.72434 > (962) GSK-3b > (962) 7267 > (962) 24 > (962) 960 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 35 csChFnd80/03251016502D 21 23 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 2.8924 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (963) 1144 > (963) C16H16ClN3O > (963) 301.77074 > (963) GSK-3b > (963) 7361 > (963) 2500 > (963) 961 $$$$ 9-cyano-2,3-dimethoxypaullone csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9412 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 0.1897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 24 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 3 0 0 0 0 M END > (964) 1145 > (964) C19H15N3O3 > (964) 333.3407 > (964) GSK-3b > (964) 7265 > (964) 18 > (964) 962 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 32 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 M END > (965) 1146 > (965) C16H17N3O > (965) 267.32568 > (965) GSK-3b > (965) 7360 > (965) 400 > (965) 963 $$$$ 2,3-dimethoxy-9-nitropaullone csChFnd80/03251016502D 26 29 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9412 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7358 0.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 24 1 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 24 25 2 0 0 0 0 M END > (966) 1147 > (966) C18H15N3O5 > (966) 353.3288 > (966) GSK-3b > (966) 7264 > (966) 13 > (966) 964 $$$$ 9-cyanopaullone csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 0.1897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 21 3 0 0 0 0 M END > (967) 1148 > (967) C17H11N3O > (967) 273.28874 > (967) GSK-3b > (967) 7263 > (967) 10 > (967) 965 $$$$ 9-Nitropaullone csChFnd80/03251016502D 22 25 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0214 0.1897 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6047 0.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -0.5121 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 22 1 0 0 0 0 20 21 2 0 0 0 0 M END > (968) 1150 > (968) C16H11N3O3 > (968) 293.27684 > (968) GSK-3b > (968) 7262 > (968) 4 > (968) 966 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 38 csChFnd80/03251016502D 21 23 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (969) 1151 > (969) C17H19N3O > (969) 281.35226 > (969) GSK-3b > (969) 7364 > (969) 920 > (969) 967 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4721 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 M END > (970) 1152 > (970) C16H15N3O > (970) 265.3098 > (970) GSK-3b > (970) 7363 > (970) 600 > (970) 968 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1419 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > (971) 1153 > (971) C16H17N3O > (971) 267.32568 > (971) GSK-3b > (971) 7362 > (971) 500 > (971) 969 $$$$ Structure101 csChFnd80/03251016502D 20 22 0 0 0 0 0 0 0 0999 V2000 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9688 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4646 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7708 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2034 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5728 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M END > (98) 101 > (98) C14H15N5O > (98) 269.3018 > (98) GSK-3 > (98) 143 > (98) 18232649 > (98) 21 > (98) 2008 > (98) 96 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 30 csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 17 1 0 0 0 0 6 16 1 0 0 0 0 M END > (972) 1154 > (972) C13H10ClN3 > (972) 243.6916 > (972) GSK-3b > (972) 7369 > (972) 1700 > (972) 970 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 31 csChFnd80/03251016502D 23 25 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 1.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 1.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1055 0.4008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8919 -0.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 17 1 0 0 0 0 19 16 1 0 0 0 0 19 21 1 0 0 0 0 19 18 2 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END > (973) 1155 > (973) C15H16N4O3S > (973) 332.37754 > (973) GSK-3b > (973) 7368 > (973) 500 > (973) 971 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 46 csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2669 2.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 1.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 1.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 2.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 19 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > (974) 1156 > (974) C20H23N3O > (974) 321.41612 > (974) GSK-3b > (974) 7367 > (974) 6800 > (974) 972 $$$$ 6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 42 csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 -3.0582 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 1.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3438 -0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -0.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 1.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7274 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9387 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8207 2.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 3 5 2 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 4 7 2 0 0 0 0 6 5 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 9 10 1 0 0 0 0 12 10 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 6 18 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 0 0 0 0 19 21 1 0 0 0 0 21 20 1 0 0 0 0 M END > (975) 1157 > (975) C17H17N3O > (975) 279.33638 > (975) GSK-3b > (975) 7366 > (975) 1100 > (975) 973 $$$$ 2,9-dibromopaullone csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 3.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 19 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 14 18 1 0 0 0 0 19 20 2 0 0 0 0 2 19 1 0 0 0 0 7 21 1 0 0 0 0 M END > (976) 1158 > (976) C16H10Br2N2O > (976) 406.0714 > (976) GSK-3b > (976) 7290 > (976) 800 > (976) 974 $$$$ 11-bromopaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 3.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 -1.3126 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 18 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 16 13 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 2 18 1 0 0 0 0 16 20 1 0 0 0 0 M END > (977) 1159 > (977) C16H11BrN2O > (977) 327.17534 > (977) GSK-3b > (977) 7291 > (977) 900 > (977) 975 $$$$ csChFnd80/03251016502D 28 31 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 0.1897 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4964 0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2933 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2829 -0.6073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 18 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 16 13 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 14 20 1 0 0 0 0 18 19 2 0 0 0 0 2 18 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 7 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 M END > (979) 1161 > (979) C21H15F3N2O2 > (979) 384.3512096 > (979) GSK-3b > (979) 7295 > (979) 1400 > (979) 977 $$$$ 2,3-dimethoxypaullone csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 3.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 1.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9412 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 18 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 16 13 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 2 18 1 0 0 0 0 6 20 1 0 0 0 0 7 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 M END > (980) 1162 > (980) C18H16N2O3 > (980) 308.33124 > (980) GSK-3b > (980) 7292 > (980) 900 > (980) 978 $$$$ csChFnd80/03251016502D 29 32 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3389 3.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9161 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2143 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9045 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5093 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 0.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3107 -0.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 18 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 16 13 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 2 18 1 0 0 0 0 14 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 7 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > (981) 1163 > (981) C21H15F3N2O3 > (981) 400.3506096 > (981) GSK-3b > (981) 7293 > (981) 900 > (981) 979 $$$$ Structure102 csChFnd80/03251016502D 18 20 0 0 0 0 0 0 0 0999 V2000 2.4249 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.0641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 3.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 2.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 1.3315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 4.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 5.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 5.2193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 7.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 7.5912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 6.8418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 5.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 9 18 1 0 0 0 0 M END > (99) 102 > (99) C12H11N5O > (99) 241.24864 > (99) GSK-3 > (99) 149 > (99) 18232649 > (99) 4600 > (99) 2008 > (99) 97 $$$$ 2-bromo-9-trifluoromethylpaullone csChFnd80/03251016502D 24 27 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 18 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 16 13 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 14 20 1 0 0 0 0 18 24 2 0 0 0 0 2 18 1 0 0 0 0 7 19 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 M END > (982) 1164 > (982) C17H10BrF3N2O > (982) 395.1733096 > (982) GSK-3b > (982) 7298 > (982) 2000 > (982) 980 $$$$ csChFnd80/03251016502D 32 36 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3258 -0.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0403 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0403 -1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3258 -2.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 -1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 -0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8157 0.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 18 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 16 13 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 14 19 1 0 0 0 0 18 32 2 0 0 0 0 2 18 1 0 0 0 0 7 23 1 0 0 0 0 19 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 23 24 3 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 25 31 1 0 0 0 0 M END > (983) 1165 > (983) C25H21F3N2O2 > (983) 438.4416496 > (983) GSK-3b > (983) 7299 > (983) 2000 > (983) 981 $$$$ csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 3.6311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 0 0 0 0 4 2 1 0 0 0 0 18 1 1 0 0 0 0 1 9 1 0 0 0 0 8 3 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 3 4 1 0 0 0 0 9 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 15 12 1 0 0 0 0 12 13 2 0 0 0 0 16 13 1 0 0 0 0 14 15 2 0 0 0 0 17 14 1 0 0 0 0 16 17 2 0 0 0 0 14 19 1 0 0 0 0 18 20 2 0 0 0 0 2 18 1 0 0 0 0 M END > (985) 1167 > (985) C16H11BrN2S > (985) 343.24094 > (985) GSK-3b > (985) 7297 > (985) 2000 > (985) 983 $$$$ 2-Bromo-9-Nitropaullone csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4123 0.9161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5122 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 9 20 1 0 0 0 0 16 21 1 0 0 0 0 21 23 1 0 0 0 0 21 22 2 0 0 0 0 M END > (986) 1168 > (986) C16H10BrN3O3 > (986) 372.1729 > (986) GSK-3b > (986) 7280 > (986) 200 > (986) 984 $$$$ 2-iodopaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 9 20 1 0 0 0 0 M END > (987) 1169 > (987) C16H11IN2O > (987) 374.17581 > (987) GSK-3b > (987) 7281 > (987) 250 > (987) 985 $$$$ 9-bromo-12-(2-hydroxyethyl)-paullone csChFnd80/03251016502D 23 26 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 -1.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 M END > (988) 1170 > (988) C18H15BrN2O2 > (988) 371.2279 > (988) GSK-3b > (988) 7282 > (988) 300 > (988) 986 $$$$ 9-bromo-12-methylpaullone csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8606 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 13 21 1 0 0 0 0 M END > (989) 1171 > (989) C17H13BrN2O > (989) 341.20192 > (989) GSK-3b > (989) 7283 > (989) 400 > (989) 987 $$$$ Structure631 csChFnd80/03251016502D 27 30 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 0.9162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 0.2144 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -0.5121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9045 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5093 0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0927 -0.3419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 20 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 9 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 3 0 0 0 0 M END > (990) 1172 > (990) C20H12F3N3O > (990) 367.3239896 > (990) GSK-3b > (990) 7284 > (990) 400 > (990) 988 $$$$ 9-bromo-5-(methyloxycarbonylmethyl)paullone csChFnd80/03251016502D 25 28 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 3.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9681 3.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3261 4.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4329 3.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2298 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 16 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > (991) 1173 > (991) C19H15BrN2O3 > (991) 399.238 > (991) GSK-3b > (991) 7285 > (991) 500 > (991) 989 $$$$ Structure103 csChFnd80/03251016502D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 M END > (100) 103 > (100) C11H8ClN5 > (100) 245.66772 > (100) GSK-3 > (100) 155 > (100) 18232649 > (100) 2000 > (100) 2008 > (100) 98 $$$$ 11-methylpaullone csChFnd80/03251016502D 20 23 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 -1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END > (992) 1174 > (992) C17H14N2O > (992) 262.30586 > (992) GSK-3b > (992) 7286 > (992) 500 > (992) 990 $$$$ paullone csChFnd80/03251016502D 19 22 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 M END > (993) 1175 > (993) C16H12N2O > (993) 248.27928 > (993) GSK-3b > (993) 7287 > (993) 620 > (993) 991 $$$$ 11-ethylpaullone csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3955 3.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 -1.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 -2.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 4 1 1 0 0 0 0 1 2 1 0 0 0 0 2 11 1 0 0 0 0 1 3 2 0 0 0 0 10 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 6 1 0 0 0 0 11 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 17 14 1 0 0 0 0 14 15 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 19 16 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 M END > (994) 1176 > (994) C18H16N2O > (994) 276.33244 > (994) GSK-3b > (994) 7288 > (994) 700 > (994) 992 $$$$ 9-bromo-7,12-dihydro-6-(hydroxyamino)-indolo[2-3-d]benzazepine csChFnd80/03251016502D 21 24 0 0 0 0 0 0 0 0999 V2000 0.0375 2.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 2.8878 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3019 2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 1.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 1.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3683 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2643 0.2631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9384 0.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5475 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 -0.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 3.6311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 3.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0213 0.1897 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11 4 1 0 0 0 0 5 3 1 0 0 0 0 3 1 2 0 0 0 0 1 2 1 0 0 0 0 2 10 1 0 0 0 0 9 4 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 4 5 1 0 0 0 0 10 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 16 13 1 0 0 0 0 13 14 2 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 18 15 1 0 0 0 0 17 18 2 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 M END > (995) 1177 > (995) C16H12BrN3O > (995) 342.18998 > (995) GSK-3b > (995) 7289 > (995) 750 > (995) 993 $$$$ Structure105 csChFnd80/03251016502D 19 21 0 0 0 0 0 0 0 0999 V2000 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 3.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 4.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5584 4.1552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6848 6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9910 5.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 6.5271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3604 5.7777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 7.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 2 0 0 0 0 7 10 1 0 0 0 0 14 16 1 0 0 0 0 3 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > (101) 105 > (101) C13H12N4OS > (101) 272.32558 > (101) GSK-3 > (101) 161 > (101) 18232649 > (101) 7000 > (101) 2008 > (101) 99 $$$$