SciTegic07110717432D 14 14 0 0 0 0 999 V2000 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.5548 -3.6021 0.0000 O 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 N 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 12 1 0 9 10 1 0 10 11 1 0 12 13 2 0 12 14 1 0 M CHG 1 14 -1 M END > ZINC03581099 > 1 $$$$ SciTegic07110717432D 21 22 0 0 0 0 999 V2000 3.1180 4.0244 0.0000 C 0 0 1.9939 3.0300 0.0000 C 0 0 1.0457 3.3476 0.0000 O 0 0 2.2921 1.5591 0.0000 N 0 0 1.2076 0.5514 0.0000 C 0 0 2 0 0 0 -0.2882 0.4387 0.0000 C 0 0 2 0 0 0 -0.9385 -0.9130 0.0000 C 0 0 -0.0930 -2.1520 0.0000 C 0 0 1.4027 -2.0394 0.0000 C 0 0 2.0530 -0.6877 0.0000 C 0 0 1 0 0 0 3.0867 0.3722 0.0000 O 0 0 4.5499 0.0385 0.0000 C 0 0 5.1050 1.4325 0.0000 C 0 0 6.5895 1.6476 0.0000 C 0 0 7.5180 0.4695 0.0000 C 0 0 6.9621 -0.9236 0.0000 C 0 0 5.4776 -1.1387 0.0000 C 0 0 -0.7409 -3.5058 0.0000 C 0 0 -0.0631 -4.4961 0.0000 O 0 0 -1.9374 -3.5980 0.0000 O 0 5 0.3863 1.7566 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 6 21 1 6 7 8 1 0 8 9 2 0 8 18 1 0 9 10 1 0 10 11 1 6 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 18 19 2 0 18 20 1 0 M CHG 2 20 -1 21 1 M END > ZINC03833963 > 2 $$$$ SciTegic07110717432D 22 23 0 0 0 0 999 V2000 3.8627 2.2731 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 1.6972 2.0225 0.0000 O 0 0 2.5625 0.0216 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 O 0 0 3.8979 0.6634 0.0000 C 0 0 5.1593 -0.1498 0.0000 C 0 0 5.0858 -1.6480 0.0000 C 0 0 6.3465 -2.4608 0.0000 C 0 0 7.6808 -1.7754 0.0000 C 0 0 7.7543 -0.2772 0.0000 C 0 0 6.4936 0.5356 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -2.5956 2.7031 0.0000 O 0 0 -3.6375 0.9049 0.0000 O 0 5 1.2999 -2.2084 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 6 22 1 1 7 8 1 0 8 9 2 0 8 19 1 0 9 10 1 0 10 11 1 1 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 19 20 2 0 19 21 1 0 M CHG 2 21 -1 22 1 M END > ZINC03833964 > 3 $$$$ SciTegic07110717432D 25 26 0 0 0 0 999 V2000 3.8912 -5.2578 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1 0 0 0 1.2941 -3.7520 0.0000 C 0 0 1.2906 -5.2528 0.0000 C 0 0 2.5973 -1.5031 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5987 1.5004 0.0000 N 0 0 3.9491 0.8772 0.0000 C 0 0 4.1898 -0.2984 0.0000 O 0 0 4.9546 1.9904 0.0000 C 0 0 4.2067 3.2906 0.0000 C 0 0 2.7389 2.9810 0.0000 C 0 0 2 0 0 0 3.0646 4.4329 0.0000 C 0 0 4.4897 4.9034 0.0000 O 0 0 1.2509 3.0036 0.0000 C 0 0 0.5396 4.3252 0.0000 O 0 0 -2.6003 -1.4978 0.0000 C 0 0 -3.6387 -0.8963 0.0000 O 0 0 -2.6024 -2.6978 0.0000 O 0 5 1 2 1 0 3 2 1 1 3 4 1 0 3 6 1 0 4 5 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 23 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 18 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 1 18 21 1 0 19 20 1 0 21 22 1 0 23 24 2 0 23 25 1 0 M CHG 1 25 -1 M END > ZINC03832036 > 4 $$$$ SciTegic07110717432D 25 26 0 0 0 0 999 V2000 -1.1733 -7.6744 0.0000 C 0 0 0.3158 -7.4870 0.0000 C 0 0 0.8989 -6.1042 0.0000 C 0 0 2 0 0 0 -0.0075 -4.9080 0.0000 C 0 0 -1.4806 -5.0555 0.0000 C 0 0 2 0 0 0 -1.3318 -3.5629 0.0000 C 0 0 -2.5501 -2.6878 0.0000 C 0 0 -3.9171 -3.3052 0.0000 C 0 0 -4.0659 -4.7978 0.0000 C 0 0 -2.8476 -5.6730 0.0000 C 0 0 2.3882 -5.9183 0.0000 O 0 0 3.2946 -7.1144 0.0000 C 0 0 2 0 0 0 3.8354 -5.7372 0.0000 C 0 0 5.3237 -5.5502 0.0000 C 0 0 6.2298 -6.7455 0.0000 C 0 0 5.6477 -8.1280 0.0000 C 0 0 1 0 0 0 4.1594 -8.3150 0.0000 C 0 0 1 0 0 0 4.6126 -9.7253 0.0000 N 0 0 6.0716 -10.0771 0.0000 C 0 0 6.7604 -9.3523 0.0000 O 0 0 6.4972 -11.5163 0.0000 C 0 0 5.9033 -4.1658 0.0000 C 0 0 5.2981 -3.3697 0.0000 O 0 0 7.1115 -7.9073 0.0000 N 0 3 7.0937 -4.0141 0.0000 O 0 5 1 2 1 0 3 2 1 6 3 4 1 0 3 11 1 0 5 4 1 1 5 10 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 12 11 1 6 12 17 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 22 1 0 15 16 1 0 16 17 1 0 16 24 1 6 17 18 1 1 18 19 1 0 19 20 2 0 19 21 1 0 22 23 2 0 22 25 1 0 M CHG 2 24 1 25 -1 M END > ZINC04134491 > 5 $$$$ SciTegic07110717432D 26 27 0 0 0 0 999 V2000 9.0980 0.7508 0.0000 C 0 0 7.7975 1.5000 0.0000 C 0 0 6.4980 0.7492 0.0000 C 0 0 1 0 0 0 5.1983 1.4996 0.0000 C 0 0 5.1973 3.0004 0.0000 C 0 0 3.8976 3.7508 0.0000 C 0 0 3.8976 5.2508 0.0000 C 0 0 2.5985 6.0008 0.0000 C 0 0 1.2995 5.2508 0.0000 C 0 0 1.2995 3.7508 0.0000 C 0 0 2.5985 3.0008 0.0000 C 0 0 6.4990 -0.7516 0.0000 O 0 0 7.7988 -1.5020 0.0000 C 0 0 2 0 0 0 6.4996 -2.2102 0.0000 C 0 0 6.4994 -3.7102 0.0000 C 0 0 7.7983 -4.4604 0.0000 C 0 0 9.0974 -3.7106 0.0000 C 0 0 1 0 0 0 9.0977 -2.2106 0.0000 C 0 0 1 0 0 0 10.5534 -2.4846 0.0000 N 0 0 11.5584 -1.3699 0.0000 C 0 0 11.1879 -0.2285 0.0000 O 0 0 13.0264 -1.6820 0.0000 C 0 0 5.1979 -4.4577 0.0000 C 0 0 4.1597 -3.8560 0.0000 O 0 0 9.0607 -5.1905 0.0000 N 0 3 5.1957 -5.6577 0.0000 O 0 5 1 2 1 0 3 2 1 6 3 4 1 0 3 12 1 0 4 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 13 12 1 1 13 18 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 23 1 0 16 17 1 0 17 18 1 0 17 25 1 1 18 19 1 6 19 20 1 0 20 21 2 0 20 22 1 0 23 24 2 0 23 26 1 0 M CHG 2 25 1 26 -1 M END > ZINC03833965 > 6 $$$$ SciTegic07110717432D 30 32 0 0 0 0 999 V2000 3.8627 2.2731 0.0000 C 0 0 2.5631 1.5224 0.0000 C 0 0 1.6972 2.0225 0.0000 O 0 0 2.5625 0.0216 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 2 0 0 0 0.0000 -1.5000 0.0000 C 0 0 2 0 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1 0 0 0 2.5625 -0.0215 0.0000 O 0 0 3.8979 0.6634 0.0000 C 0 0 5.1593 -0.1498 0.0000 C 0 0 6.4947 0.5351 0.0000 C 0 0 7.7561 -0.2781 0.0000 C 0 0 7.6826 -1.7763 0.0000 C 0 0 8.9433 -2.5891 0.0000 C 0 0 10.2776 -1.9036 0.0000 C 0 0 10.3511 -0.4054 0.0000 C 0 0 9.0904 0.4073 0.0000 C 0 0 11.5389 -2.7168 0.0000 C 0 0 11.4631 -4.2150 0.0000 C 0 0 12.7225 -5.0297 0.0000 C 0 0 14.0578 -4.3464 0.0000 C 0 0 14.1338 -2.8484 0.0000 C 0 0 12.8743 -2.0336 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6381 0.9059 0.0000 O 0 0 -2.5944 2.7031 0.0000 O 0 5 1.2999 -2.2084 0.0000 N 0 3 1 2 1 0 2 3 2 0 2 4 1 0 5 4 1 6 5 10 1 0 5 6 1 0 6 7 1 0 6 30 1 1 7 8 1 0 8 9 2 0 8 27 1 0 9 10 1 0 10 11 1 1 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 21 1 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 27 28 2 0 27 29 1 0 M CHG 2 29 -1 30 1 M END > ZINC03833966 > 7 $$$$