SciTegic07110717202D 18 19 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 1 0 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 0.0000 2.7000 0.0000 F 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 4.9375 -1.3557 0.0000 O 0 0 3.9010 0.4457 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 16 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 10 1 0 7 8 1 0 7 9 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 16 17 2 0 16 18 1 0 M CHG 1 18 -1 M END > ZINC03779977 > 1 $$$$ SciTegic07110717202D 18 19 0 0 0 0 999 V2000 2.7557 -7.9984 0.0000 C 0 0 1.5625 -7.8709 0.0000 S 0 0 2 0 0 0 0.8558 -8.8407 0.0000 O 0 0 2.2696 -6.9014 0.0000 O 0 0 0.9548 -6.4986 0.0000 N 0 0 1.8372 -5.2877 0.0000 C 0 0 3.3372 -5.2929 0.0000 C 0 0 3.8056 -3.8679 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 1.3786 -3.8595 0.0000 S 0 0 2.5973 -1.5031 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.3383 1.3500 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 10 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 M END > ZINC00006765 > 2 $$$$ SciTegic07110717202D 19 20 0 0 0 0 999 V2000 2.5958 -2.7022 0.0000 C 0 0 2.5978 -1.5022 0.0000 C 0 0 1 0 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5973 1.5031 0.0000 C 0 0 -3.6375 0.9049 0.0000 O 0 0 -2.5951 3.0039 0.0000 C 0 0 -1.2935 3.7495 0.0000 C 0 0 -1.2883 5.2495 0.0000 C 0 0 -2.5847 6.0040 0.0000 C 0 0 -3.8864 5.2585 0.0000 C 0 0 -3.8916 3.7585 0.0000 C 0 0 3.8990 -0.7543 0.0000 C 0 0 4.9375 -1.3557 0.0000 O 0 0 3.9010 0.4457 0.0000 O 0 5 2 1 1 1 2 3 1 0 2 17 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 9 1 0 7 8 1 0 9 10 2 0 9 11 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 17 18 2 0 17 19 1 0 M CHG 1 19 -1 M END > ZINC03617632 > 3 $$$$ SciTegic07110717202D 21 23 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.9445 2.9229 0.0000 C 0 0 -4.3928 2.5323 0.0000 C 0 0 -5.4329 3.1307 0.0000 C 0 0 -4.0022 1.0841 0.0000 C 0 0 -2.1800 4.2143 0.0000 C 0 0 -3.1656 5.3519 0.0000 C 0 0 -2.6646 6.7657 0.0000 C 0 0 -1.1896 7.0387 0.0000 C 0 0 -0.2157 5.8978 0.0000 C 0 0 -0.7168 4.4840 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 2 0 13 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 M END > ZINC03814807 > 4 $$$$ SciTegic07110717202D 21 23 0 0 0 0 999 V2000 -3.5737 -3.3991 0.0000 C 0 0 -2.5225 -2.8202 0.0000 C 0 0 -2.4915 -1.3190 0.0000 C 0 0 -3.7006 -0.6045 0.0000 C 0 0 -3.7006 0.8244 0.0000 C 0 0 -2.4915 1.5389 0.0000 C 0 0 -1.2274 0.8244 0.0000 C 0 0 -1.2274 -0.6045 0.0000 C 0 0 0.0000 -1.3190 0.0000 N 0 0 1.2274 -0.6045 0.0000 C 0 0 1.2274 0.8244 0.0000 C 0 0 2.4732 1.5389 0.0000 C 0 0 3.7372 0.8244 0.0000 C 0 0 3.7372 -0.6045 0.0000 O 0 0 2.4732 -1.3190 0.0000 C 0 0 2 0 0 0 1.1708 -2.0228 0.0000 C 0 0 1.1661 -3.2228 0.0000 C 0 0 3.7709 -2.0306 0.0000 C 0 0 5.0733 -1.2849 0.0000 C 0 0 6.1107 -1.8879 0.0000 O 0 0 5.0772 -0.0849 0.0000 O 0 5 1 2 1 0 2 3 1 0 3 8 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 11 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 6 15 18 1 0 16 17 1 0 18 19 1 0 19 20 2 0 19 21 1 0 M CHG 1 21 -1 M END > ZINC03775137 > 5 $$$$ SciTegic07110717202D 21 23 0 0 0 0 999 V2000 3.7889 0.0269 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -3.6168 1.4950 0.0000 C 0 0 -3.6204 2.9950 0.0000 C 0 0 -4.9211 3.7421 0.0000 C 0 0 -6.2185 2.9892 0.0000 C 0 0 -6.2151 1.4892 0.0000 C 0 0 -4.9144 0.7421 0.0000 C 0 0 -7.5209 3.7349 0.0000 C 0 0 2 0 0 0 -8.5578 3.1309 0.0000 C 0 0 -7.5273 5.2357 0.0000 C 0 0 -8.5686 5.8320 0.0000 O 0 0 -6.4904 5.8398 0.0000 O 0 5 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 11 1 0 7 8 2 0 8 9 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 17 1 0 15 16 1 0 17 18 1 6 17 19 1 0 19 20 2 0 19 21 1 0 M CHG 1 21 -1 M END > ZINC03814517 > 6 $$$$ SciTegic07110717202D 22 24 0 0 0 0 999 V2000 4.1955 0.2934 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 C 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 1.6115 -3.9772 0.0000 C 0 0 2.0333 -5.4186 0.0000 C 0 0 0.9937 -6.4998 0.0000 C 0 0 -0.4625 -6.1401 0.0000 C 0 0 -0.8791 -4.6991 0.0000 C 0 0 0.1606 -3.6178 0.0000 C 0 0 -1.5028 -7.2219 0.0000 S 0 0 1 0 0 0 -1.1703 -8.3750 0.0000 O 0 0 -2.6677 -6.9338 0.0000 O 0 0 -2.3349 -8.0865 0.0000 C 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 5 13 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 M END > ZINC03814551 > 7 $$$$ SciTegic07110717202D 22 23 0 0 0 0 999 V2000 -0.7135 -4.2850 0.0000 C 0 0 0.1873 -3.4922 0.0000 C 0 0 2 0 0 0 -0.0492 -2.3157 0.0000 C 0 0 1.6096 -3.9713 0.0000 O 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 C 0 0 3.9511 -0.8815 0.0000 C 0 0 2 0 0 0 4.9531 -1.9978 0.0000 O 0 0 4.2010 -3.2956 0.0000 C 0 0 4.6874 -4.3927 0.0000 O 0 0 3.0443 -0.0955 0.0000 C 0 0 5.0960 -0.5221 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 C 0 0 2 1 1 6 2 3 1 0 2 4 1 0 4 5 1 0 5 9 1 0 5 6 2 0 6 7 1 0 6 13 1 0 7 8 1 0 7 11 1 1 7 12 1 0 8 9 1 0 9 10 2 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 19 20 2 0 19 21 2 0 19 22 1 6 M END > ZINC03814523 > 8 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 -6.3637 -0.2580 0.0000 C 0 0 -5.1640 -0.2295 0.0000 C 0 0 -4.2919 -1.4230 0.0000 C 0 0 -2.8689 -0.9181 0.0000 C 0 0 -1.6754 -1.7673 0.0000 C 0 0 0.0000 -1.3541 0.0000 C 0 0 0.3672 0.0000 0.0000 C 0 0 -0.3213 1.2853 0.0000 C 0 0 -1.7902 1.5836 0.0000 C 0 0 -2.9378 0.5738 0.0000 C 0 0 -4.3608 0.9869 0.0000 C 0 0 -4.8854 2.3905 0.0000 C 0 0 -4.1218 3.3162 0.0000 O 0 0 -6.3654 2.6392 0.0000 C 0 0 -7.3181 1.4805 0.0000 C 0 0 -8.7979 1.7261 0.0000 C 0 0 -9.3250 3.1304 0.0000 C 0 0 -8.3725 4.2891 0.0000 C 0 0 -6.8927 4.0435 0.0000 C 0 0 -4.7427 -2.8516 0.0000 C 0 0 -6.2079 -3.1768 0.0000 C 0 0 -6.5691 -4.3212 0.0000 O 0 0 -7.0185 -2.2921 0.0000 O 0 5 1 2 1 0 2 11 2 0 2 3 1 0 3 4 2 0 3 20 1 0 4 10 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 20 21 1 0 21 22 2 0 21 23 1 0 M CHG 1 23 -1 M END > ZINC03814783 > 9 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 0.0000 3.0008 0.0000 C 0 0 -1.3002 3.7488 0.0000 C 0 0 -1.3026 5.2488 0.0000 C 0 0 -0.0048 6.0009 0.0000 C 0 0 1.2954 5.2529 0.0000 C 0 0 1.2978 3.7529 0.0000 C 0 0 -0.0067 7.2009 0.0000 F 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -6.5002 3.7446 0.0000 S 0 0 2 0 0 0 -7.5389 3.1436 0.0000 O 0 0 -6.5018 4.9446 0.0000 O 0 0 -7.5401 4.3435 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 14 1 0 5 6 1 0 5 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 13 1 0 11 12 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 1 M END > ZINC03814661 > 10 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -2.7390 2.9810 0.0000 C 0 0 -4.2067 3.2905 0.0000 C 0 0 -4.6965 4.3860 0.0000 O 0 0 -4.9546 1.9903 0.0000 C 0 0 -3.9492 0.8772 0.0000 C 0 0 -1.6216 3.9790 0.0000 O 0 0 -1.9268 5.4485 0.0000 C 0 0 -3.3522 5.9158 0.0000 C 0 0 -3.6602 7.3839 0.0000 C 0 0 -2.5429 8.3847 0.0000 C 0 0 -1.1175 7.9174 0.0000 C 0 0 -0.8095 6.4494 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 17 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 M END > ZINC03814823 > 11 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 -2.5031 7.5923 0.0000 C 0 0 -2.0099 6.4983 0.0000 C 0 0 -2.8841 5.2815 0.0000 C 0 0 -4.3841 5.2767 0.0000 C 0 0 -4.8430 3.8486 0.0000 S 0 0 -3.6267 2.9927 0.0000 C 0 0 -2.4160 3.8564 0.0000 N 0 0 -3.6187 1.4919 0.0000 S 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 N 0 0 -3.6267 -2.9927 0.0000 S 0 0 1 0 0 0 -4.6688 -3.5878 0.0000 O 0 0 -2.5905 -3.5979 0.0000 O 0 0 -3.6326 -4.1927 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.0825 2.3453 0.0000 O 0 0 1 2 1 0 2 3 1 0 3 7 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 22 1 0 11 12 1 0 12 13 2 0 12 20 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 1 20 21 1 0 21 22 1 0 22 23 2 0 M END > ZINC03814521 > 12 $$$$ SciTegic07110717202D 23 24 0 0 0 0 999 V2000 1.5548 -3.6021 0.0000 C 0 0 2.5951 -3.0039 0.0000 C 0 0 2.5973 -1.5031 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 3.8999 -0.7576 0.0000 C 0 0 3.9040 0.4424 0.0000 O 0 0 5.1972 -1.5121 0.0000 O 0 0 6.2387 -0.9161 0.0000 C 0 0 3.8933 -3.7570 0.0000 C 0 0 5.1925 -3.0070 0.0000 C 0 0 6.4915 -3.7571 0.0000 C 0 0 6.4915 -5.2571 0.0000 C 0 0 5.1924 -6.0070 0.0000 C 0 0 3.8934 -5.2570 0.0000 C 0 0 7.7912 -6.0075 0.0000 S 0 0 1 0 0 0 8.8308 -5.4082 0.0000 O 0 0 7.7908 -7.2075 0.0000 O 0 0 8.8301 -6.6080 0.0000 C 0 0 1 2 1 0 2 3 2 0 2 14 1 0 3 4 1 0 3 10 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 10 11 2 0 10 12 1 0 12 13 1 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 6 M END > ZINC03814768 > 13 $$$$ SciTegic07110717202D 23 25 0 0 0 0 999 V2000 6.0207 1.3637 0.0000 C 0 0 4.8208 1.3475 0.0000 C 0 0 4.0872 0.0382 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 N 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 2 0 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 -3.6202 1.4892 0.0000 S 0 0 1 0 0 0 -3.6291 2.6892 0.0000 O 0 0 -4.6551 0.8818 0.0000 O 0 0 -4.6637 2.0816 0.0000 C 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 12 1 0 4 5 2 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 20 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 14 13 1 6 14 19 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 21 2 0 20 22 2 0 20 23 1 1 M END > ZINC00017499 > 14 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 -2.5905 3.5979 0.0000 C 0 0 -3.6267 2.9927 0.0000 S 0 0 2 0 0 0 -4.6688 3.5878 0.0000 O 0 0 -2.5844 2.3981 0.0000 O 0 0 -3.6187 1.4919 0.0000 N 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6187 -1.4919 0.0000 O 0 0 -3.6267 -2.9927 0.0000 C 0 0 -2.3301 -3.7470 0.0000 C 0 0 -2.3350 -5.2470 0.0000 C 0 0 -3.6365 -5.9928 0.0000 C 0 0 -4.9331 -5.2385 0.0000 C 0 0 -4.9282 -3.7385 0.0000 C 0 0 -5.9655 -3.1352 0.0000 F 0 0 -3.6404 -7.1928 0.0000 F 0 0 1.7138 -1.2033 0.0000 C 0 0 2.0907 -2.3426 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 24 1 0 8 9 1 0 9 10 2 0 9 21 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 20 1 0 17 18 1 0 18 19 1 0 21 22 2 0 21 23 1 0 23 24 1 0 M END > ZINC00537736 > 15 $$$$ SciTegic07110717202D 24 27 0 0 0 0 999 V2000 8.7495 2.0468 0.0000 C 0 0 7.8097 2.7929 0.0000 S 0 0 1 0 0 0 7.9863 3.9799 0.0000 O 0 0 7.6336 1.6059 0.0000 O 0 0 6.4140 2.2411 0.0000 C 0 0 6.1942 0.7573 0.0000 C 0 0 4.7992 0.2058 0.0000 C 0 0 3.6284 1.1358 0.0000 C 0 0 3.8440 2.6219 0.0000 C 0 0 5.2389 3.1734 0.0000 C 0 0 2.1968 0.6852 0.0000 C 0 0 1.7333 -0.7256 0.0000 C 0 0 0.2217 -0.7054 0.0000 N 0 0 -0.9876 -1.5720 0.0000 C 0 0 -2.1968 -0.7054 0.0000 C 0 0 -1.7333 0.7457 0.0000 S 0 0 -0.2419 0.7054 0.0000 C 0 0 0.9876 1.5922 0.0000 N 0 0 2.6053 -1.9470 0.0000 C 0 0 4.0834 -1.6813 0.0000 C 0 0 5.0476 -2.8303 0.0000 C 0 0 4.5346 -4.2398 0.0000 C 0 0 3.0574 -4.5004 0.0000 C 0 0 2.0932 -3.3514 0.0000 C 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 18 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 17 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03814816 > 16 $$$$ SciTegic07110717202D 24 27 0 0 0 0 999 V2000 -5.6840 -5.7841 0.0000 C 0 0 -6.5166 -4.9199 0.0000 S 0 0 2 0 0 0 -7.6812 -5.2093 0.0000 O 0 0 -5.3519 -4.6311 0.0000 O 0 0 -6.1008 -3.4778 0.0000 C 0 0 -4.6449 -3.1170 0.0000 C 0 0 -4.2294 -1.6757 0.0000 C 0 0 -5.2668 -0.5997 0.0000 C 0 0 -6.7258 -0.9560 0.0000 C 0 0 -7.1413 -2.3973 0.0000 C 0 0 -4.9669 0.8708 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 -3.7582 2.9755 0.0000 C 0 0 -5.2262 3.2840 0.0000 C 0 0 -5.9732 1.9832 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 16 1 0 13 14 1 0 14 15 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 M END > ZINC03814648 > 17 $$$$ SciTegic07110717202D 24 27 0 0 0 0 999 V2000 -3.5209 2.5206 0.0000 C 0 0 -2.3218 2.5677 0.0000 S 0 0 2 0 0 0 -1.7634 3.6299 0.0000 O 0 0 -2.8807 1.5058 0.0000 O 0 0 -1.5213 1.2982 0.0000 C 0 0 -2.2201 -0.0291 0.0000 C 0 0 -1.4200 -1.2979 0.0000 C 0 0 0.0739 -1.2385 0.0000 C 0 0 0.7776 0.0879 0.0000 C 0 0 -0.0224 1.3567 0.0000 C 0 0 0.9643 -2.4466 0.0000 C 0 0 0.5715 -3.7145 0.0000 C 0 0 1.6429 -4.5002 0.0000 C 0 0 1.6429 -5.7002 0.0000 O 0 0 2.7144 -3.7145 0.0000 O 0 0 2.3037 -2.4466 0.0000 C 0 0 2 0 0 0 2.3037 -0.6786 0.0000 C 0 0 3.8573 -1.5715 0.0000 C 0 0 -0.8537 -4.1848 0.0000 C 0 0 -1.9070 -3.1152 0.0000 C 0 0 -3.3578 -3.4962 0.0000 C 0 0 -3.7532 -4.9431 0.0000 C 0 0 -2.6978 -6.0091 0.0000 C 0 0 -1.2470 -5.6280 0.0000 C 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 19 1 0 13 14 2 0 13 15 1 0 16 15 1 1 16 18 1 0 16 17 1 0 17 18 1 0 19 24 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 M END > ZINC03814751 > 18 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 3.7881 4.1197 0.0000 C 0 0 4.1890 2.9887 0.0000 C 0 0 3.3397 1.7523 0.0000 C 0 0 4.2568 0.5878 0.0000 C 0 0 5.6669 1.0635 0.0000 N 0 0 5.6273 2.5630 0.0000 O 0 0 3.9511 -0.8815 0.0000 C 0 0 4.9531 -1.9978 0.0000 N 0 0 4.2010 -3.2956 0.0000 C 0 0 2.7343 -2.9815 0.0000 C 0 0 2.5987 -1.5004 0.0000 N 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5988 1.5004 0.0000 S 0 0 1 0 0 0 -3.6384 0.9011 0.0000 O 0 0 -2.5984 2.7004 0.0000 O 0 0 -3.6377 2.1009 0.0000 N 0 0 4.8082 -4.6653 0.0000 C 0 0 2 0 0 0 6.0014 -4.7934 0.0000 F 0 0 4.1010 -5.6348 0.0000 F 0 0 5.2940 -5.7626 0.0000 F 0 0 1 2 1 0 2 6 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 7 1 0 5 6 1 0 7 11 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 22 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 2 0 18 20 2 0 18 21 1 6 22 23 1 6 22 24 1 0 22 25 1 0 M END > ZINC03814636 > 19 $$$$ SciTegic07110717202D 24 27 0 0 0 0 999 V2000 -5.9712 -5.1172 0.0000 C 0 0 -5.0282 -5.8593 0.0000 S 0 0 1 0 0 0 -5.1998 -7.0470 0.0000 O 0 0 -4.8572 -4.6716 0.0000 O 0 0 -3.6349 -5.3016 0.0000 C 0 0 -3.4214 -3.8168 0.0000 C 0 0 -2.0288 -3.2594 0.0000 C 0 0 -0.8537 -4.1848 0.0000 C 0 0 -1.0633 -5.6713 0.0000 C 0 0 -2.4558 -6.2288 0.0000 C 0 0 0.5715 -3.7145 0.0000 C 0 0 0.9643 -2.4466 0.0000 C 0 0 2.3037 -2.4466 0.0000 C 0 0 1 0 0 0 2.3037 -0.6786 0.0000 C 0 0 3.8573 -1.5715 0.0000 C 0 0 2.7144 -3.7145 0.0000 C 0 0 1.6429 -4.5002 0.0000 C 0 0 1.6429 -6.0010 0.0000 C 0 0 0.2910 -6.6540 0.0000 C 0 0 0.1853 -8.1503 0.0000 C 0 0 1.4282 -8.9899 0.0000 C 0 0 2.7769 -8.3333 0.0000 C 0 0 2.8826 -6.8371 0.0000 C 0 0 1.3437 -10.1869 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 17 1 0 11 12 2 0 13 12 1 1 13 15 1 0 13 14 1 0 13 16 1 0 14 15 1 0 16 17 2 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 M END > ZINC00006509 > 20 $$$$ SciTegic07110717202D 24 26 0 0 0 0 999 V2000 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 2.5951 3.0039 0.0000 C 0 0 1.3786 3.8595 0.0000 C 0 0 1.8371 5.2877 0.0000 C 0 0 3.3371 5.2929 0.0000 O 0 0 3.8056 3.8680 0.0000 C 0 0 4.9460 3.4943 0.0000 O 0 0 3.8982 0.7550 0.0000 C 0 0 3.8989 -0.7450 0.0000 C 0 0 5.1983 -1.4946 0.0000 C 0 0 6.4970 -0.7441 0.0000 C 0 0 6.4964 0.7559 0.0000 C 0 0 5.1971 1.5055 0.0000 C 0 0 7.5365 -1.3437 0.0000 Cl 0 0 -2.5988 -1.5004 0.0000 S 0 0 1 0 0 0 -2.5995 -2.7004 0.0000 O 0 0 -3.6378 -0.9001 0.0000 O 0 0 -3.6383 -2.0999 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 14 1 0 8 12 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 14 19 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 20 1 0 18 19 1 0 21 22 2 0 21 23 2 0 21 24 1 6 M END > ZINC03959950 > 21 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -3.9015 3.7484 0.0000 C 0 0 -2.6012 3.0004 0.0000 C 0 0 -1.3042 3.7556 0.0000 O 0 0 -1.3088 5.2565 0.0000 C 0 0 -2.6117 5.9999 0.0000 C 0 0 -2.6193 7.4999 0.0000 C 0 0 -1.3241 8.2565 0.0000 C 0 0 -0.0213 7.5131 0.0000 C 0 0 -0.0137 6.0132 0.0000 C 0 0 -6.4955 0.7438 0.0000 C 0 0 -7.5337 0.1422 0.0000 N 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 24 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 3 0 M END > ZINC03814772 > 22 $$$$ SciTegic07110717202D 25 28 0 0 0 0 999 V2000 0.9565 5.5767 0.0000 C 0 0 1.8594 4.7864 0.0000 S 0 0 2 0 0 0 2.9952 5.1735 0.0000 O 0 0 0.7234 4.3998 0.0000 O 0 0 1.5675 3.3142 0.0000 C 0 0 0.1473 2.8312 0.0000 C 0 0 -0.1444 1.3598 0.0000 C 0 0 0.9744 0.3805 0.0000 C 0 0 2.4040 0.8545 0.0000 C 0 0 2.6958 2.3258 0.0000 C 0 0 1.0000 -1.1200 0.0000 C 0 0 0.0000 -2.2000 0.0000 C 0 0 1.0000 -3.3700 0.0000 C 0 0 0.9424 -4.5686 0.0000 O 0 0 2.1400 -2.2700 0.0000 C 0 0 2 0 0 0 2.8300 -3.6000 0.0000 C 0 0 4.3400 -3.3500 0.0000 C 0 0 4.5100 -1.8000 0.0000 C 0 0 3.1200 -1.1500 0.0000 C 0 0 -1.5005 -2.1702 0.0000 C 0 0 -2.0241 -0.7608 0.0000 C 0 0 -3.5044 -0.5187 0.0000 C 0 0 -4.4543 -1.6796 0.0000 C 0 0 -3.9238 -3.0827 0.0000 C 0 0 -2.4435 -3.3248 0.0000 C 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 20 1 0 13 14 2 0 13 15 1 0 15 19 1 6 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03814808 > 23 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 2.3383 -1.3500 0.0000 C 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 2.5972 1.5031 0.0000 C 0 0 3.6375 0.9049 0.0000 O 0 0 2.5951 3.0039 0.0000 C 0 0 1.2934 3.7495 0.0000 C 0 0 1.2883 5.2495 0.0000 C 0 0 2.5847 6.0040 0.0000 C 0 0 3.8863 5.2585 0.0000 C 0 0 3.8915 3.7585 0.0000 C 0 0 2.5826 7.5048 0.0000 O 0 0 3.6206 8.1070 0.0000 C 0 0 -0.0031 -3.0008 0.0000 C 0 0 -1.3039 -3.7494 0.0000 C 0 0 -1.3092 -5.2494 0.0000 C 0 0 -2.6108 -5.9949 0.0000 C 0 0 -3.9072 -5.2404 0.0000 C 0 0 -4.9485 -5.8368 0.0000 O 0 0 -3.9020 -3.7404 0.0000 N 0 0 -2.6004 -2.9949 0.0000 N 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 3 18 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 16 17 1 0 18 19 1 0 19 20 2 0 19 25 1 0 20 21 1 0 21 22 2 0 22 24 1 0 22 23 1 0 24 25 2 0 M END > ZINC00023049 > 24 $$$$ SciTegic07110717202D 25 27 0 0 0 0 999 V2000 -4.9497 0.8990 0.0000 C 0 0 -3.9106 1.4992 0.0000 S 0 0 2 0 0 0 -3.9112 2.6992 0.0000 O 0 0 -3.9106 0.2992 0.0000 O 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2995 -2.9981 0.0000 C 0 0 0.2613 -3.5999 0.0000 O 0 0 2.6003 -3.7467 0.0000 C 0 0 3.8969 -2.9922 0.0000 C 0 0 5.1985 -3.7377 0.0000 C 0 0 5.2037 -5.2377 0.0000 C 0 0 3.9072 -5.9922 0.0000 C 0 0 2.6056 -5.2467 0.0000 C 0 0 6.2450 -5.8341 0.0000 F 0 0 3.8926 -1.4991 0.0000 C 0 0 4.9319 -2.0991 0.0000 N 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 14 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 24 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 24 25 3 0 M END > ZINC03814799 > 25 $$$$ SciTegic07110717202D 25 28 0 0 0 0 999 V2000 -5.9732 1.9832 0.0000 C 0 0 -4.9669 0.8708 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 -3.7582 2.9755 0.0000 O 0 0 -5.2262 3.2840 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2 0 0 0 2.1753 2.6291 0.0000 C 0 0 1.1706 3.7440 0.0000 C 0 0 -0.3061 3.5672 0.0000 C 0 0 -0.9197 4.9360 0.0000 C 0 0 0.1925 5.9425 0.0000 C 0 0 1.4934 5.1958 0.0000 S 0 0 3.3489 2.8794 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 3.7889 0.0269 0.0000 O 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1855 -2.6254 0.0000 C 0 0 3.3606 -2.8684 0.0000 O 0 0 1.3877 -3.5218 0.0000 N 0 0 1 5 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 6 1 0 4 5 1 0 6 11 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 22 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 20 1 0 12 13 1 6 13 14 1 0 13 19 2 0 14 18 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 M END > ZINC03951599 > 26 $$$$ SciTegic07110717202D 26 29 0 0 0 0 999 V2000 -7.5221 4.9368 0.0000 C 0 0 -7.5198 3.7368 0.0000 S 0 0 2 0 0 0 -8.5581 3.1351 0.0000 O 0 0 -6.4818 4.3390 0.0000 O 0 0 -6.2184 2.9893 0.0000 C 0 0 -4.9210 3.7422 0.0000 C 0 0 -3.6203 2.9951 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 -4.9143 0.7422 0.0000 C 0 0 -6.2150 1.4893 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -3.6168 -1.4950 0.0000 C 0 0 -4.9143 -0.7422 0.0000 C 0 0 -6.2150 -1.4893 0.0000 C 0 0 -6.2184 -2.9893 0.0000 C 0 0 -4.9210 -3.7422 0.0000 C 0 0 -3.6203 -2.9951 0.0000 C 0 0 -7.2590 -3.5870 0.0000 F 0 0 1.7138 -1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 26 1 0 13 14 1 0 14 15 2 0 14 24 1 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 24 25 1 0 25 26 1 0 M END > ZINC03814683 > 27 $$$$ SciTegic07110717202D 26 28 0 0 0 0 999 V2000 -0.0028 4.9494 0.0000 C 0 0 -0.0028 3.7494 0.0000 C 0 0 1 0 0 0 -1.0423 3.1497 0.0000 C 0 0 1.2964 2.9981 0.0000 S 0 0 2 0 0 0 2.3356 2.3980 0.0000 O 0 0 2.3358 3.5978 0.0000 O 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 1.2964 -2.6973 0.0000 O 0 0 2.5929 -0.7486 0.0000 N 0 0 2.5929 0.7486 0.0000 C 0 0 3.6321 1.3486 0.0000 O 0 0 3.8942 -1.4964 0.0000 C 0 0 5.1929 -0.7441 0.0000 C 0 0 5.1877 0.7559 0.0000 C 0 0 6.4842 1.5104 0.0000 C 0 0 7.7858 0.7649 0.0000 C 0 0 7.7910 -0.7351 0.0000 C 0 0 6.4946 -1.4896 0.0000 C 0 0 -3.6486 -1.3517 0.0000 Cl 0 0 2 1 1 6 2 3 1 0 2 4 1 0 4 5 2 0 4 6 2 0 4 7 1 6 7 17 2 0 7 8 1 0 8 13 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 26 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 16 19 1 0 17 18 1 0 19 20 1 0 20 25 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 M END > ZINC03814791 > 28 $$$$ SciTegic07110717202D 26 29 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1852 -2.6281 0.0000 C 0 0 1.1007 -3.6669 0.0000 C 0 0 1.4624 -5.1227 0.0000 C 0 0 2.9039 -5.5373 0.0000 C 0 0 3.9838 -4.4963 0.0000 C 0 0 3.6221 -3.0405 0.0000 C 0 0 3.1933 -6.7019 0.0000 F 0 0 4.0896 0.0290 0.0000 C 0 0 4.7275 1.3885 0.0000 C 0 0 6.2225 1.5110 0.0000 C 0 0 7.0761 0.2776 0.0000 C 0 0 6.4347 -1.0783 0.0000 C 0 0 4.9397 -1.2009 0.0000 C 0 0 8.5719 0.4002 0.0000 S 0 0 1 0 0 0 9.0857 1.4846 0.0000 O 0 0 9.2544 -0.5868 0.0000 O 0 0 9.7679 0.4976 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 9 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 2 0 8 17 1 0 9 10 1 0 10 15 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 16 1 0 14 15 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 23 1 0 21 22 1 0 23 24 2 0 23 25 2 0 23 26 1 6 M END > ZINC03814575 > 29 $$$$ SciTegic07110717202D 26 29 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 C 0 0 -5.1993 2.9963 0.0000 C 0 0 -3.9015 3.7484 0.0000 N 0 0 -2.6012 3.0004 0.0000 C 0 0 -1.3028 3.7529 0.0000 C 0 0 -1.3074 5.2530 0.0000 C 0 0 -0.0108 6.0071 0.0000 C 0 0 1.2906 5.2612 0.0000 C 0 0 1.2954 3.7613 0.0000 N 0 0 -0.0012 3.0071 0.0000 C 0 0 2.5879 6.0158 0.0000 C 0 0 2 0 0 0 3.2528 7.2723 0.0000 C 0 0 4.0090 5.9769 0.0000 C 0 0 -6.2352 0.8946 0.0000 Cl 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 26 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 22 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 23 20 1 6 21 22 1 0 23 25 1 0 23 24 1 0 24 25 1 0 M END > ZINC03814803 > 30 $$$$ SciTegic07110717202D 26 30 0 0 0 0 999 V2000 -5.4548 -5.7078 0.0000 C 0 0 -6.3019 -4.8578 0.0000 S 0 0 2 0 0 0 -7.4615 -5.1668 0.0000 O 0 0 -5.1422 -4.5494 0.0000 O 0 0 -5.9106 -3.4089 0.0000 C 0 0 -4.4609 -3.0236 0.0000 C 0 0 -4.0698 -1.5755 0.0000 C 0 0 -5.1261 -0.5164 0.0000 C 0 0 -6.5780 -0.8980 0.0000 C 0 0 -6.9691 -2.3461 0.0000 C 0 0 -4.8268 0.9542 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 -3.7596 2.8125 0.0000 C 0 0 -5.0637 3.0878 0.0000 C 0 0 2 0 0 0 -5.7307 1.9263 0.0000 C 0 0 -6.5968 3.9682 0.0000 C 0 0 -5.0488 4.8708 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 2 0 12 13 1 0 12 18 1 0 14 13 1 6 14 17 1 0 14 15 1 0 14 16 1 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 26 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 M END > ZINC03814538 > 31 $$$$ SciTegic07110717202D 26 29 0 0 0 0 999 V2000 -1.2943 7.1936 0.0000 C 0 0 -2.0939 6.2988 0.0000 S 0 0 2 0 0 0 -3.2685 6.5443 0.0000 O 0 0 -0.9191 6.0540 0.0000 O 0 0 -1.6242 4.8734 0.0000 C 0 0 -0.1557 4.5675 0.0000 C 0 0 0.3136 3.1429 0.0000 C 0 0 -0.6829 2.0283 0.0000 C 0 0 -2.1540 2.3299 0.0000 C 0 0 -2.6233 3.7546 0.0000 C 0 0 -0.3208 0.5719 0.0000 C 0 0 1.0601 0.0139 0.0000 C 0 0 0.9903 -1.4367 0.0000 C 0 0 1.9274 -2.1863 0.0000 O 0 0 -0.4742 -1.8412 0.0000 O 0 0 -1.2832 -0.5719 0.0000 C 0 0 2 0 0 0 -1.7435 0.8508 0.0000 C 0 0 -3.2500 0.8648 0.0000 C 0 0 -3.7242 -0.5719 0.0000 C 0 0 -2.5107 -1.4646 0.0000 C 0 0 2.3241 0.8230 0.0000 C 0 0 2.1504 2.3145 0.0000 C 0 0 3.3566 3.2062 0.0000 C 0 0 4.7319 2.6075 0.0000 C 0 0 4.9011 1.1171 0.0000 C 0 0 3.6950 0.2254 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 16 1 0 11 12 2 0 12 13 1 0 12 21 1 0 13 14 2 0 13 15 1 0 16 15 1 6 16 20 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 21 26 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 M END > ZINC01485832 > 32 $$$$ SciTegic07110717202D 27 30 0 0 0 0 999 V2000 -3.2576 -1.3543 0.0000 C 0 0 -3.2576 0.1464 0.0000 C 0 0 -1.9399 0.8968 0.0000 C 0 0 -0.6588 0.1464 0.0000 C 0 0 -0.6588 -1.3543 0.0000 C 0 0 -1.9399 -2.0863 0.0000 C 0 0 0.6405 -2.0863 0.0000 C 0 0 1.9399 -1.3543 0.0000 S 0 0 1.9399 0.1464 0.0000 C 0 0 0.6405 0.8968 0.0000 C 0 0 0.9517 2.3608 0.0000 N 0 0 2.4524 2.5256 0.0000 N 0 0 3.0746 1.1530 0.0000 C 0 0 4.5401 0.8430 0.0000 C 0 0 1 0 0 0 4.9128 -0.2977 0.0000 F 0 0 5.3419 1.7358 0.0000 F 0 0 5.7142 0.5952 0.0000 F 0 0 -0.0551 3.4738 0.0000 C 0 0 -1.4948 3.0466 0.0000 C 0 0 -2.5801 4.0820 0.0000 C 0 0 -2.2261 5.5396 0.0000 C 0 0 -0.7868 5.9619 0.0000 C 0 0 0.2986 4.9265 0.0000 C 0 0 -3.3121 6.5756 0.0000 S 0 0 2 0 0 0 -4.4637 6.2385 0.0000 O 0 0 -3.0285 7.7416 0.0000 O 0 0 -4.1799 7.4043 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 4 10 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 13 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 18 1 0 12 13 2 0 13 14 1 0 14 15 1 6 14 16 1 0 14 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 24 25 2 0 24 26 2 0 24 27 1 1 M END > ZINC03814509 > 33 $$$$ SciTegic07110717202D 27 30 0 0 0 0 999 V2000 -3.6116 -1.5079 0.0000 C 0 0 -3.6106 -3.0079 0.0000 C 0 0 -4.9092 -3.7588 0.0000 C 0 0 -6.2087 -3.0096 0.0000 C 0 0 -6.2097 -1.5096 0.0000 C 0 0 -4.9111 -0.7587 0.0000 C 0 0 -4.9144 0.7421 0.0000 C 0 0 -6.2151 1.4892 0.0000 C 0 0 -6.2185 2.9892 0.0000 C 0 0 -4.9211 3.7421 0.0000 C 0 0 -3.6204 2.9950 0.0000 C 0 0 -3.6168 1.4950 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 -4.9238 4.9421 0.0000 F 0 0 -7.2590 3.5868 0.0000 F 0 0 -4.9082 -5.2596 0.0000 S 0 0 2 0 0 0 -3.8690 -5.8596 0.0000 O 0 0 -5.9473 -5.8599 0.0000 O 0 0 -4.9080 -6.4596 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 24 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 23 1 0 10 11 2 0 10 22 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 21 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 24 25 2 0 24 26 2 0 24 27 1 1 M END > ZINC03814677 > 34 $$$$ SciTegic07110717202D 28 31 0 0 0 0 999 V2000 -7.7480 1.3064 0.0000 C 0 0 -7.2652 0.2078 0.0000 C 0 0 1 0 0 0 -6.2729 1.3327 0.0000 C 0 0 -4.9153 0.7255 0.0000 C 0 0 -5.0380 -0.7567 0.0000 C 0 0 -4.1334 -1.5452 0.0000 O 0 0 -6.5020 -1.0835 0.0000 O 0 0 -3.6217 1.4865 0.0000 O 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 -6.5912 2.7993 0.0000 C 0 0 -8.0544 3.1374 0.0000 C 0 0 -8.4879 4.5734 0.0000 C 0 0 -7.4611 5.6668 0.0000 C 0 0 -6.0007 5.3243 0.0000 C 0 0 -5.5672 3.8883 0.0000 C 0 0 -7.8948 7.1036 0.0000 S 0 0 2 0 0 0 -9.0629 7.3784 0.0000 O 0 0 -7.0730 7.9781 0.0000 O 0 0 -8.2410 8.2526 0.0000 C 0 0 -7.9460 -0.7804 0.0000 C 0 0 2 1 1 1 2 7 1 0 2 3 1 0 2 28 1 0 3 4 2 0 3 18 1 0 4 5 1 0 4 8 1 0 5 6 2 0 5 7 1 0 8 9 1 0 9 14 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 24 25 2 0 24 26 2 0 24 27 1 1 M END > ZINC03814825 > 35 $$$$ SciTegic07110717202D 28 31 0 0 0 0 999 V2000 -8.8343 3.1860 0.0000 C 0 0 -7.7912 3.7794 0.0000 S 0 0 2 0 0 0 -7.7840 4.9793 0.0000 O 0 0 -7.7991 2.5794 0.0000 O 0 0 -6.4965 3.0203 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 -1.2928 -2.6973 0.0000 O 0 0 0.0000 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 2.5929 0.7486 0.0000 C 0 0 1.2964 1.4973 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 O 0 0 -3.9086 -1.5029 0.0000 C 0 0 -5.2071 -0.7519 0.0000 C 0 0 -6.5067 -1.5010 0.0000 C 0 0 -6.5078 -3.0010 0.0000 C 0 0 -5.2093 -3.7519 0.0000 C 0 0 -3.9097 -3.0028 0.0000 C 0 0 -2.8709 -3.6035 0.0000 F 0 0 2 1 1 1 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 21 1 0 11 12 2 0 12 13 1 0 12 22 1 0 13 14 2 0 13 15 1 0 15 20 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 22 27 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 M END > ZINC03814539 > 36 $$$$ SciTegic07110717202D 28 31 0 0 0 0 999 V2000 -2.3155 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -0.9991 -2.7132 0.0000 F 0 0 1.7138 -1.2033 0.0000 S 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 N 0 0 4.0896 0.0290 0.0000 C 0 0 4.8568 -1.2462 0.0000 C 0 0 6.3129 -0.8859 0.0000 C 0 0 6.4203 0.6103 0.0000 N 0 0 5.0305 1.1747 0.0000 N 0 0 4.6611 2.6292 0.0000 C 0 0 5.8200 3.5844 0.0000 C 0 0 5.5676 5.0630 0.0000 C 0 0 4.1609 5.5838 0.0000 C 0 0 3.0066 4.6259 0.0000 C 0 0 3.2590 3.1473 0.0000 C 0 0 3.9084 7.0632 0.0000 S 0 0 2 0 0 0 4.8313 7.8301 0.0000 O 0 0 2.7829 7.4794 0.0000 O 0 0 3.7059 8.2460 0.0000 N 0 0 7.4609 -1.8486 0.0000 C 0 0 1 0 0 0 8.5887 -1.4386 0.0000 F 0 0 7.2525 -3.0304 0.0000 F 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 10 1 0 3 4 1 0 4 5 2 0 4 8 1 0 5 6 1 0 5 7 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 15 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 26 1 0 14 15 1 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 22 1 0 20 21 1 0 22 23 2 0 22 24 2 0 22 25 1 6 26 27 1 1 26 28 1 0 M END > ZINC01489152 > 37 $$$$ SciTegic07110717202D 28 31 0 0 0 0 999 V2000 3.7889 0.0269 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 7.7700 -3.7717 0.0000 Br 0 0 -3.6217 1.4865 0.0000 O 0 0 -4.6560 0.8780 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.6504 2.9356 0.0000 C 0 0 2 0 0 0 3.3005 4.2770 0.0000 C 0 0 4.7260 3.8101 0.0000 C 0 0 4.6522 1.8181 0.0000 C 0 0 6.1211 2.1261 0.0000 C 0 0 6.9222 1.2325 0.0000 O 0 0 6.4948 3.2664 0.0000 O 0 5 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 19 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 19 20 1 0 22 21 1 6 22 24 1 0 22 23 1 0 22 25 1 0 23 24 1 0 25 26 1 0 26 27 2 0 26 28 1 0 M CHG 1 28 -1 M END > ZINC01486412 > 38 $$$$ SciTegic07110717202D 28 31 0 0 0 0 999 V2000 -3.9298 -1.4999 0.0000 C 0 0 -3.9422 -2.9998 0.0000 C 0 0 -5.2474 -3.7391 0.0000 C 0 0 -6.5402 -2.9783 0.0000 C 0 0 -6.5278 -1.4784 0.0000 C 0 0 -5.2226 -0.7390 0.0000 C 0 0 -5.2125 0.7617 0.0000 C 0 0 -6.5065 1.5203 0.0000 C 0 0 -6.4965 3.0203 0.0000 C 0 0 -5.1925 3.7616 0.0000 C 0 0 -3.8985 3.0029 0.0000 C 0 0 -3.9086 1.5029 0.0000 C 0 0 -2.6111 0.7486 0.0000 C 0 0 -2.6111 -0.7486 0.0000 C 0 0 -1.2964 -1.4973 0.0000 C 0 0 0.0000 -0.7486 0.0000 C 0 0 0.0000 0.7486 0.0000 C 0 0 -1.2964 1.4973 0.0000 C 0 0 1.2964 1.4973 0.0000 O 0 0 2.5929 0.7486 0.0000 C 0 0 2.5929 -0.7486 0.0000 C 0 0 1.2964 -1.4973 0.0000 O 0 0 -5.1845 4.9616 0.0000 F 0 0 -7.5317 3.6272 0.0000 F 0 0 -5.2598 -5.2398 0.0000 S 0 0 1 0 0 0 -4.2260 -5.8491 0.0000 O 0 0 -6.3042 -5.8309 0.0000 O 0 0 -5.2703 -6.4398 0.0000 N 0 0 1 6 2 0 1 2 1 0 2 3 2 0 3 4 1 0 3 25 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 12 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 24 1 0 10 11 2 0 10 23 1 0 11 12 1 0 12 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 25 26 2 0 25 27 2 0 25 28 1 6 M END > ZINC03814676 > 39 $$$$ SciTegic07110717202D 28 31 0 0 0 0 999 V2000 -8.3577 1.2559 0.0000 C 0 0 -8.0113 2.4049 0.0000 S 0 0 1 0 0 0 -8.8334 3.2791 0.0000 O 0 0 -7.1897 1.5303 0.0000 O 0 0 -6.5502 2.7477 0.0000 C 0 0 -5.5233 1.6543 0.0000 C 0 0 -4.0629 1.9969 0.0000 C 0 0 -3.6319 3.4281 0.0000 C 0 0 -4.6564 4.5263 0.0000 C 0 0 -6.1167 4.1837 0.0000 C 0 0 -2.2026 3.8859 0.0000 N 0 0 -1.7246 5.3077 0.0000 C 0 0 -0.2247 5.2924 0.0000 C 0 0 0.2243 3.8612 0.0000 N 0 0 -0.9982 3.0140 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 1.7138 1.2033 0.0000 O 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 -1.2033 0.0000 O 0 0 0.6682 6.4955 0.0000 C 0 0 1 0 0 0 0.1920 7.5969 0.0000 F 0 0 1.8603 6.3575 0.0000 F 0 0 1.3839 7.4587 0.0000 F 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 15 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 25 1 0 14 15 2 0 15 16 1 0 16 21 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 24 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 25 26 1 1 25 27 1 0 25 28 1 0 M END > ZINC03814628 > 40 $$$$ SciTegic07110717202D 29 32 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 N 0 0 -5.1993 2.9963 0.0000 N 0 0 -3.9015 3.7484 0.0000 C 0 0 -3.9034 4.9484 0.0000 O 0 0 -2.6012 3.0004 0.0000 C 0 0 -1.3028 3.7529 0.0000 C 0 0 -1.3074 5.2530 0.0000 C 0 0 -0.0108 6.0071 0.0000 C 0 0 1.2906 5.2612 0.0000 C 0 0 1.2954 3.7613 0.0000 C 0 0 -0.0012 3.0071 0.0000 C 0 0 2.3279 5.8646 0.0000 F 0 0 -6.5018 3.7420 0.0000 C 0 0 -7.7993 2.9876 0.0000 C 0 0 -9.1017 3.7333 0.0000 C 0 0 2 0 0 0 -9.7745 4.9856 0.0000 C 0 0 -10.5225 3.6854 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 17 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 25 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 24 1 0 22 23 1 0 25 26 1 0 27 26 1 1 27 29 1 0 27 28 1 0 28 29 1 0 M END > ZINC03814535 > 41 $$$$ SciTegic07110717202D 30 33 0 0 0 0 999 V2000 2.5984 -2.7004 0.0000 C 0 0 2.5988 -1.5004 0.0000 S 0 0 2 0 0 0 3.6384 -0.9011 0.0000 O 0 0 1.5595 -2.1002 0.0000 O 0 0 1.2990 -0.7500 0.0000 C 0 0 0.0000 -1.5000 0.0000 C 0 0 -1.2990 -0.7500 0.0000 C 0 0 -1.2990 0.7500 0.0000 C 0 0 0.0000 1.5000 0.0000 C 0 0 1.2990 0.7500 0.0000 C 0 0 -2.5987 1.5004 0.0000 C 0 0 -3.8967 0.7484 0.0000 C 0 0 -5.1969 1.4963 0.0000 N 0 0 -5.1993 2.9963 0.0000 N 0 0 -3.9015 3.7484 0.0000 C 0 0 -3.9034 4.9484 0.0000 O 0 0 -2.6012 3.0004 0.0000 C 0 0 -1.3028 3.7529 0.0000 C 0 0 -1.3074 5.2530 0.0000 C 0 0 -0.0108 6.0071 0.0000 C 0 0 1.2906 5.2612 0.0000 C 0 0 1.2954 3.7613 0.0000 C 0 0 -0.0012 3.0071 0.0000 C 0 0 -6.5018 3.7420 0.0000 C 0 0 -7.7993 2.9876 0.0000 C 0 0 -7.7918 1.4876 0.0000 C 0 0 -9.0870 0.7310 0.0000 C 0 0 -10.3898 1.4745 0.0000 C 0 0 -10.3974 2.9744 0.0000 C 0 0 -9.1021 3.7310 0.0000 C 0 0 2 1 1 6 2 3 2 0 2 4 2 0 2 5 1 0 5 10 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 11 1 0 9 10 1 0 11 17 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 24 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 23 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 24 25 1 0 25 30 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 M END > ZINC03814533 > 42 $$$$ SciTegic07110717202D 30 33 0 0 0 0 999 V2000 3.7889 0.0269 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 N 0 0 2.1855 -2.6254 0.0000 C 0 0 1.3877 -3.5218 0.0000 O 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 7.7700 -3.7717 0.0000 Cl 0 0 -3.6217 1.4865 0.0000 O 0 0 -4.6560 0.8780 0.0000 C 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.4505 2.0415 0.0000 O 0 0 4.1182 4.3614 0.0000 N 0 0 5.5870 4.6698 0.0000 C 0 0 6.6758 3.6566 0.0000 C 0 0 7.9782 4.4008 0.0000 C 0 0 7.6730 5.8694 0.0000 N 0 0 6.1820 6.0329 0.0000 C 0 0 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 3 22 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 20 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 18 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 19 1 0 17 18 1 0 20 21 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 30 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 M END > ZINC03814518 > 43 $$$$ SciTegic07110717202D 30 33 0 0 0 0 999 V2000 3.7889 0.0269 0.0000 C 0 0 2.5889 0.0182 0.0000 C 0 0 1.7138 1.2033 0.0000 C 0 0 0.2917 0.7475 0.0000 C 0 0 -1.0028 1.5132 0.0000 C 0 0 -2.3155 0.7475 0.0000 C 0 0 -2.3155 -0.7475 0.0000 C 0 0 -1.0028 -1.5132 0.0000 C 0 0 0.2917 -0.7475 0.0000 C 0 0 1.7138 -1.2033 0.0000 C 0 0 2.1855 -2.6254 0.0000 C 0 0 3.6552 -2.9294 0.0000 C 0 0 4.6506 -1.8071 0.0000 C 0 0 6.1201 -2.1080 0.0000 C 0 0 6.5944 -3.5310 0.0000 C 0 0 5.5991 -4.6533 0.0000 C 0 0 4.1295 -4.3524 0.0000 C 0 0 8.0641 -3.8351 0.0000 S 0 0 8.4418 -4.9740 0.0000 C 0 0 -3.3560 1.3452 0.0000 F 0 0 2.1812 2.6271 0.0000 C 0 0 3.6500 2.9355 0.0000 C 0 0 4.4505 2.0415 0.0000 O 0 0 4.1182 4.3614 0.0000 C 0 0 3.2311 5.5551 0.0000 C 0 0 4.1140 6.7677 0.0000 C 0 0 5.5401 6.3027 0.0000 O 0 0 5.5385 4.8027 0.0000 C 0 0 6.5044 4.0906 0.0000 O 0 0 2.0311 5.5493 0.0000 O 0 0 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 3 21 1 0 4 9 2 0 4 5 1 0 5 6 2 0 6 7 1 0 6 20 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 17 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 18 1 0 16 17 1 0 18 19 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 28 1 0 24 25 2 0 25 26 1 0 25 30 1 0 26 27 1 0 27 28 1 0 28 29 2 0 M END > ZINC04617757 > 44 $$$$