0 B16R2.179941 C=C(C)CNc1cccc2c1cccc2 34a_100000185869_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B16R2.179941 C=C(C)CNc1cccc2c1cccn2 27a_100000765925_100011290932 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.179941 C=C(C)CNc1cccc2c1cccn2 34a_100000183906_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.179941 C=C(C)CNc1cccc2c1nccc2 34a_100000181377_100000748629 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.179941 C=C(C)CNc1ccnc2c1cccc2 27a_100000765925_100011215880 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.179941 C=C(C)CNc1nccc2c1cccc2 27a_100000765925_100011934041 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.179941 C=C(C)COc1cccc2c1CC=CC2 34a_100000074931_100000748629 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.179941 C=C(C)COc1cccc2c1CC=CC2 7a_100000074931_100000748629 [0,0,0,0,0,0|2,0,2]=4 8 B16R2.179941 C=C(C)COc1cccc2c1cccc2 34a_100000210388_100000748629 [0,0,0,0,0,0|2,0,0]=2 9 B16R2.179941 C=C(C)COc1cccc2c1cccc2 7a_100000210388_100000748629 [0,0,0,0,0,0|2,0,0]=2 10 B16R2.179941 C=C(C)COc1cccc2c1cccn2 34a_100011197808_100000748629 [0,0,0,0,0,0|3,0,0]=3 11 B16R2.179941 C=C(C)COc1cccc2c1ccnc2 34a_100011218533_100000748629 [0,0,0,0,0,0|3,0,0]=3 12 B16R2.179941 C=C(C)COc1cccc2c1cncc2 34a_103624766955_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B16R2.179941 C=C(C)COc1cccc2c1nccc2 34a_100000056035_100000748629 [0,0,0,0,0,0|3,0,0]=3 14 B16R2.179941 C=C(C)COc1cccc2c1nccn2 34a_100000077048_100000748629 [0,0,0,0,0,0|4,0,0]=4 15 B16R2.179941 C=C(C)COc1cccc2c1ncnc2 34a_200000077003_100000748629 [0,0,0,0,0,0|4,0,0]=4 16 B16R2.179941 C=C(C)COc1cncc2c1cccc2 34a_100000066178_100000748629 [0,0,0,0,0,0|3,0,0]=3 17 B16R2.179941 C=C(C)COc1cncc2c1cccc2 7a_100000066178_100000748629 [0,0,0,0,0,0|3,0,0]=3 18 B16R2.179941 C=C(C)COc1nccc2c1cccc2 34a_102531767632_100000748629 [0,0,0,0,0,0|3,0,0]=3 19 B16R2.179941 C=C(C)CSc1cccc2c1cccc2 62a_100000748629_100000210605 [0,0,0,0,0,0|2,1,0]=3 20 B16R2.179941 C=C(C)CSc1cccc2c1cccn2 62a_100000748629_100011290932 [0,0,0,0,0,0|3,1,0]=4 21 B16R2.179941 C=C(C)CSc1cccc2c1cccn2 62a_100011290932_100000211660 [0,0,0,0,0,0|3,1,0]=4 22 B16R2.179941 C=C(C)CSc1cccc2c1ccnc2 62a_100000186358_100000211660 [0,0,0,0,0,0|3,1,0]=4 23 B16R2.179941 C=C(C)CSc1cccc2c1ccnc2 62a_100000748629_100000186358 [0,0,0,0,0,0|3,1,0]=4 24 B16R2.179941 C=C(C)CSc1cccc2c1cncc2 62a_100000685578_100000211660 [0,0,0,0,0,0|3,1,0]=4 25 B16R2.179941 C=C(C)CSc1cccc2c1cncc2 62a_100000748629_100000685578 [0,0,0,0,0,0|3,1,0]=4 26 B16R2.179941 C=C(C)CSc1cccc2c1nccc2 62a_100000748629_100011215545 [0,0,0,0,0,0|3,1,0]=4 27 B16R2.179941 C=C(C)CSc1ccnc2c1cccc2 62a_100000748629_100011215880 [0,0,0,0,0,0|3,1,0]=4 28 B16R2.179941 C=C(C)CSc1ccnc2c1cccc2 62a_100011458314_100000211660 [0,0,0,0,0,0|3,1,0]=4 29 B16R2.179941 C=C(C)CSc1cncc2c1cccc2 62a_100000187577_100000211660 [0,0,0,0,0,0|3,1,0]=4 30 B16R2.179941 C=C(C)CSc1cncc2c1cccc2 62a_100000748629_100000187577 [0,0,0,0,0,0|3,1,0]=4 31 B16R2.179941 C=C(C)CSc1nccc2c1cccc2 62a_100000748629_100011934041 [0,0,0,0,0,0|3,1,0]=4 32 B16R2.179941 C=C(C)CSc1nccc2c1cccc2 62a_100011934041_100000211660 [0,0,0,0,0,0|3,1,0]=4 33 B16R2.179941 C=C(F)CNc1cccc2c1cccc2 34a_100000185869_100009893438 [0,0,0,0,0,0|3,0,0]=3 34 B16R2.179941 C=C(F)CNc1cccc2c1cccn2 34a_100000183906_100009893438 [0,0,0,0,0,0|4,0,0]=4 35 B16R2.179941 C=C(F)CNc1cccc2c1nccc2 34a_100000181377_100009893438 [0,0,0,0,0,0|4,0,0]=4 36 B16R2.179941 C=C(F)COc1cccc2c1CC=CC2 34a_100000074931_100009893438 [0,0,0,0,0,0|2,0,2]=4 37 B16R2.179941 C=C(F)COc1cccc2c1CC=CC2 7a_100000074931_100000042424 [0,0,0,0,0,0|2,0,2]=4 38 B16R2.179941 C=C(F)COc1cccc2c1cccc2 34a_100000210388_100009893438 [0,0,0,0,0,0|2,0,0]=2 39 B16R2.179941 C=C(F)COc1cccc2c1cccc2 7a_100000210388_100000042424 [0,0,0,0,0,0|2,0,0]=2 40 B16R2.179941 C=C(F)COc1cccc2c1cccn2 34a_100011197808_100009893438 [0,0,0,0,0,0|3,0,0]=3 41 B16R2.179941 C=C(F)COc1cccc2c1ccnc2 34a_100011218533_100009893438 [0,0,0,0,0,0|3,0,0]=3 42 B16R2.179941 C=C(F)COc1cccc2c1cncc2 34a_103624766955_100009893438 [0,0,0,0,0,0|3,0,0]=3 43 B16R2.179941 C=C(F)COc1cccc2c1nccc2 34a_100000056035_100009893438 [0,0,0,0,0,0|3,0,0]=3 44 B16R2.179941 C=C(F)COc1cccc2c1nccn2 34a_100000077048_100009893438 [0,0,0,0,0,0|4,0,0]=4 45 B16R2.179941 C=C(F)COc1cccc2c1ncnc2 34a_200000077003_100009893438 [0,0,0,0,0,0|4,0,0]=4 46 B16R2.179941 C=C(F)COc1cncc2c1cccc2 34a_100000066178_100009893438 [0,0,0,0,0,0|3,0,0]=3 47 B16R2.179941 C=C(F)COc1cncc2c1cccc2 7a_100000066178_100000042424 [0,0,0,0,0,0|3,0,0]=3 48 B16R2.179941 C=C(F)COc1nccc2c1cccc2 34a_102531767632_100009893438 [0,0,0,0,0,0|3,0,0]=3 49 B16R2.179941 C=C(F)CSc1cccc2c1cccc2 62a_100000042424_100000210605 [0,0,0,0,0,0|2,1,0]=3 50 B16R2.179941 C=C(F)CSc1cccc2c1cccn2 62a_100000042424_100011290932 [0,0,0,0,0,0|3,1,0]=4 51 B16R2.179941 C=C(F)CSc1cccc2c1cccn2 62a_100011290932_100000042424 [0,0,0,0,0,0|3,1,0]=4 52 B16R2.179941 C=C(F)CSc1cccc2c1ccnc2 62a_100000042424_100000186358 [0,0,0,0,0,0|3,1,0]=4 53 B16R2.179941 C=C(F)CSc1cccc2c1ccnc2 62a_100000186358_100000042424 [0,0,0,0,0,0|3,1,0]=4 54 B16R2.179941 C=C(F)CSc1cccc2c1cncc2 62a_100000042424_100000685578 [0,0,0,0,0,0|3,1,0]=4 55 B16R2.179941 C=C(F)CSc1cccc2c1cncc2 62a_100000685578_100000042424 [0,0,0,0,0,0|3,1,0]=4 56 B16R2.179941 C=C(F)CSc1cccc2c1nccc2 62a_100000042424_100011215545 [0,0,0,0,0,0|3,1,0]=4 57 B16R2.179941 C=C(F)CSc1ccnc2c1cccc2 62a_100000042424_100011215880 [0,0,0,0,0,0|3,1,0]=4 58 B16R2.179941 C=C(F)CSc1ccnc2c1cccc2 62a_100011458314_100000042424 [0,0,0,0,0,0|3,1,0]=4 59 B16R2.179941 C=C(F)CSc1cncc2c1cccc2 62a_100000042424_100000187577 [0,0,0,0,0,0|3,1,0]=4 60 B16R2.179941 C=C(F)CSc1cncc2c1cccc2 62a_100000187577_100000042424 [0,0,0,0,0,0|3,1,0]=4 61 B16R2.179941 C=C(F)CSc1nccc2c1cccc2 62a_100000042424_100011934041 [0,0,0,0,0,0|3,1,0]=4 62 B16R2.179941 C=C(F)CSc1nccc2c1cccc2 62a_100011934041_100000042424 [0,0,0,0,0,0|3,1,0]=4 63 B16R2.179941 CC(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_200000210301 [0,0,0,0,0,0|2,0,1]=3 64 B16R2.179941 CC(=O)C=Cc1cccc2c1nccc2 1458a_100000735392_200000210301 [0,0,0,0,0,0|3,0,1]=4 65 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100000070787_100011290781 [0,0,0,0,0,0|2,0,0]=2 66 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100011218451_200000210301 [0,0,0,0,0,0|2,0,0]=2 67 B16R2.179941 CC(=O)COc1cccc2c1cccc2 1458a_100000183701_200000210301 [0,0,0,0,0,0|1,0,0]=1 68 B16R2.179941 CC(=O)COc1cccc2c1nccc2 1458a_100000182336_200000210301 [0,0,0,0,0,0|2,0,0]=2 69 B16R2.179941 CC(=O)COc1ncnc2c1cccc2 1458a_100000216300_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 11a_100000753325_100015343762 [0,0,0,0,0,0|3,0,0]=3 71 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100015343762 [0,0,0,0,0,0|3,0,0]=3 72 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 240690a_100000753325_100015343762 [0,0,0,0,0,0|3,0,0]=3 73 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 527a_100000753325_100103153847 [0,0,0,0,0,0|3,0,0]=3 74 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 11a_100020628785_100015343762 [0,0,0,0,0,0|4,0,0]=4 75 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 1626a_100020628785_100015343762 [0,0,0,0,0,0|4,0,0]=4 76 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 240690a_100020628785_100015343762 [0,0,0,0,0,0|4,0,0]=4 77 B16R2.179941 CC(=O)NCc1cccc2c1cccn2 527a_100020628785_100103153847 [0,0,0,0,0,0|4,0,0]=4 78 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 11a_100011757365_100015343762 [0,0,0,0,0,0|4,0,0]=4 79 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 1626a_100011757365_100015343762 [0,0,0,0,0,0|4,0,0]=4 80 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 240690a_100011757365_100015343762 [0,0,0,0,0,0|4,0,0]=4 81 B16R2.179941 CC(=O)NCc1cccc2c1ccnc2 527a_100011757365_100103153847 [0,0,0,0,0,0|4,0,0]=4 82 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 11a_100011195829_100015343762 [0,0,0,0,0,0|4,0,0]=4 83 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 1626a_100011195829_100015343762 [0,0,0,0,0,0|4,0,0]=4 84 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 240690a_100011195829_100015343762 [0,0,0,0,0,0|4,0,0]=4 85 B16R2.179941 CC(=O)NCc1cccc2c1nccc2 527a_100011195829_100103153847 [0,0,0,0,0,0|4,0,0]=4 86 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 11a_100015187208_100015343762 [0,0,0,0,0,0|4,0,0]=4 87 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 1626a_100015187208_100015343762 [0,0,0,0,0,0|4,0,0]=4 88 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 240690a_100015187208_100015343762 [0,0,0,0,0,0|4,0,0]=4 89 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 527a_100015187208_100103153847 [0,0,0,0,0,0|4,0,0]=4 90 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 11a_100000735229_100015343762 [0,0,0,0,0,0|4,0,0]=4 91 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 240690a_100000735229_100015343762 [0,0,0,0,0,0|4,0,0]=4 92 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 527a_100000735229_100103153847 [0,0,0,0,0,0|4,0,0]=4 93 B16R2.179941 CC(=O)NNc1cccc2c1cccc2 22a_100000006939_100000070787 [0,0,0,0,0,0|3,0,0]=3 94 B16R2.179941 CC(=O)NNc1cccc2c1ccnc2 22a_100000716453_100000070787 [0,0,0,0,0,0|4,0,0]=4 95 B16R2.179941 CC(=O)NNc1cccc2c1nccc2 22a_100015200115_100000070787 [0,0,0,0,0,0|4,0,0]=4 96 B16R2.179941 CC(=O)NNc1ccnc2c1cccc2 22a_100020605206_100000070787 [0,0,0,0,0,0|4,0,0]=4 97 B16R2.179941 CC(=O)NNc1nccc2c1cccc2 22a_100015186920_100000070787 [0,0,0,0,0,0|4,0,0]=4 98 B16R2.179941 CC(C)CNc1cccc2c1cccc2 34a_100000185869_100000210624 [0,0,0,0,0,0|3,0,1]=4 99 B16R2.179941 CC(C)COc1cccc2c1cccc2 34a_100000210388_100000210624 [0,0,0,0,0,0|2,0,1]=3 100 B16R2.179941 CC(C)COc1cccc2c1cccc2 7a_100000210388_100000210760 [0,0,0,0,0,0|2,0,1]=3 101 B16R2.179941 CC(C)COc1cccc2c1cccn2 34a_100011197808_100000210624 [0,0,0,0,0,0|3,0,1]=4 102 B16R2.179941 CC(C)COc1cccc2c1ccnc2 34a_100011218533_100000210624 [0,0,0,0,0,0|3,0,1]=4 103 B16R2.179941 CC(C)COc1cccc2c1cncc2 34a_103624766955_100000210624 [0,0,0,0,0,0|3,0,1]=4 104 B16R2.179941 CC(C)COc1cccc2c1nccc2 34a_100000056035_100000210624 [0,0,0,0,0,0|3,0,1]=4 105 B16R2.179941 CC(C)COc1cncc2c1cccc2 34a_100000066178_100000210624 [0,0,0,0,0,0|3,0,1]=4 106 B16R2.179941 CC(C)COc1cncc2c1cccc2 7a_100000066178_100000210760 [0,0,0,0,0,0|3,0,1]=4 107 B16R2.179941 CC(C)COc1nccc2c1cccc2 34a_102531767632_100000210624 [0,0,0,0,0,0|3,0,1]=4 108 B16R2.179941 CC(C)CSc1cccc2c1cccc2 62a_100000210624_100000210605 [0,0,0,0,0,0|2,1,1]=4 109 B16R2.179941 CC(O)C=Cc1cccc2c1cccc2 271570a_200011019289_100000210605 [0,0,0,0,0,0|2,0,2]=4 110 B16R2.179941 CC(O)CNc1cccc2c1cccc2 34a_100000185869_100011218427 [0,0,0,0,0,0|2,0,1]=3 111 B16R2.179941 CC(O)CNc1cccc2c1cccn2 27a_100000210904_100011290932 [0,0,0,0,0,0|3,0,1]=4 112 B16R2.179941 CC(O)CNc1cccc2c1cccn2 34a_100000183906_100011218427 [0,0,0,0,0,0|3,0,1]=4 113 B16R2.179941 CC(O)CNc1cccc2c1nccc2 34a_100000181377_100011218427 [0,0,0,0,0,0|3,0,1]=4 114 B16R2.179941 CC(O)CNc1ccnc2c1cccc2 27a_100000210904_100011215880 [0,0,0,0,0,0|3,0,1]=4 115 B16R2.179941 CC(O)CNc1nccc2c1cccc2 27a_100000210904_100011934041 [0,0,0,0,0,0|3,0,1]=4 116 B16R2.179941 CC(O)COc1cccc2c1CC=CC2 34a_100000074931_100011218427 [0,0,0,0,0,0|1,0,3]=4 117 B16R2.179941 CC(O)COc1cccc2c1CC=CC2 7a_100000074931_100011218427 [0,0,0,0,0,0|1,0,3]=4 118 B16R2.179941 CC(O)COc1cccc2c1cccc2 34a_100000210388_100011218427 [0,0,0,0,0,0|1,0,1]=2 119 B16R2.179941 CC(O)COc1cccc2c1cccc2 7a_100000210388_100011218427 [0,0,0,0,0,0|1,0,1]=2 120 B16R2.179941 CC(O)COc1cccc2c1cccn2 34a_100011197808_100011218427 [0,0,0,0,0,0|2,0,1]=3 121 B16R2.179941 CC(O)COc1cccc2c1ccnc2 34a_100011218533_100011218427 [0,0,0,0,0,0|2,0,1]=3 122 B16R2.179941 CC(O)COc1cccc2c1cncc2 34a_103624766955_100011218427 [0,0,0,0,0,0|2,0,1]=3 123 B16R2.179941 CC(O)COc1cccc2c1nccc2 34a_100000056035_100011218427 [0,0,0,0,0,0|2,0,1]=3 124 B16R2.179941 CC(O)COc1cccc2c1nccn2 34a_100000077048_100011218427 [0,0,0,0,0,0|3,0,1]=4 125 B16R2.179941 CC(O)COc1cccc2c1ncnc2 34a_200000077003_100011218427 [0,0,0,0,0,0|3,0,1]=4 126 B16R2.179941 CC(O)COc1cncc2c1cccc2 34a_100000066178_100011218427 [0,0,0,0,0,0|2,0,1]=3 127 B16R2.179941 CC(O)COc1cncc2c1cccc2 7a_100000066178_100011218427 [0,0,0,0,0,0|2,0,1]=3 128 B16R2.179941 CC(O)COc1nccc2c1cccc2 34a_102531767632_100011218427 [0,0,0,0,0,0|2,0,1]=3 129 B16R2.179941 CC(O)CSc1cccc2c1cccc2 62a_100011218427_100000210605 [0,0,0,0,0,0|1,1,1]=3 130 B16R2.179941 CC(O)CSc1cccc2c1cccn2 62a_100011218427_100011290932 [0,0,0,0,0,0|2,1,1]=4 131 B16R2.179941 CC(O)CSc1cccc2c1cccn2 62a_100011290932_100011218427 [0,0,0,0,0,0|2,1,1]=4 132 B16R2.179941 CC(O)CSc1cccc2c1ccnc2 62a_100000186358_100011218427 [0,0,0,0,0,0|2,1,1]=4 133 B16R2.179941 CC(O)CSc1cccc2c1ccnc2 62a_100011218427_100000186358 [0,0,0,0,0,0|2,1,1]=4 134 B16R2.179941 CC(O)CSc1cccc2c1cncc2 62a_100000685578_100011218427 [0,0,0,0,0,0|2,1,1]=4 135 B16R2.179941 CC(O)CSc1cccc2c1cncc2 62a_100011218427_100000685578 [0,0,0,0,0,0|2,1,1]=4 136 B16R2.179941 CC(O)CSc1cccc2c1nccc2 62a_100011218427_100011215545 [0,0,0,0,0,0|2,1,1]=4 137 B16R2.179941 CC(O)CSc1ccnc2c1cccc2 62a_100011218427_100011215880 [0,0,0,0,0,0|2,1,1]=4 138 B16R2.179941 CC(O)CSc1ccnc2c1cccc2 62a_100011458314_100011218427 [0,0,0,0,0,0|2,1,1]=4 139 B16R2.179941 CC(O)CSc1cncc2c1cccc2 62a_100000187577_100011218427 [0,0,0,0,0,0|2,1,1]=4 140 B16R2.179941 CC(O)CSc1cncc2c1cccc2 62a_100011218427_100000187577 [0,0,0,0,0,0|2,1,1]=4 141 B16R2.179941 CC(O)CSc1nccc2c1cccc2 62a_100011218427_100011934041 [0,0,0,0,0,0|2,1,1]=4 142 B16R2.179941 CC(O)CSc1nccc2c1cccc2 62a_100011934041_100011218427 [0,0,0,0,0,0|2,1,1]=4 143 B16R2.179941 CN(C)CCc1cccc2c1cccc2 2230a_100102631434_100011290781 [0,0,0,0,0,0|4,0,0]=4 144 B16R2.179941 CN(C)CCc1cccc2c1cccc2 269982a_100102631434_100011290781 [0,0,0,0,0,0|4,0,0]=4 145 B16R2.179941 C[C@@H](O)CNc1cccc2c1cccc2 34a_100000185869_100009817552 [0,0,0,0,0,0|2,0,1]=3 146 B16R2.179941 C[C@@H](O)CNc1cccc2c1cccn2 34a_100000183906_100009817552 [0,0,0,0,0,0|3,0,1]=4 147 B16R2.179941 C[C@@H](O)CNc1cccc2c1nccc2 34a_100000181377_100009817552 [0,0,0,0,0,0|3,0,1]=4 148 B16R2.179941 C[C@@H](O)COc1cccc2c1CC=CC2 34a_100000074931_100009817552 [0,0,0,0,0,0|1,0,3]=4 149 B16R2.179941 C[C@@H](O)COc1cccc2c1CC=CC2 7a_100000074931_100009817552 [0,0,0,0,0,0|1,0,3]=4 150 B16R2.179941 C[C@@H](O)COc1cccc2c1cccc2 34a_100000210388_100009817552 [0,0,0,0,0,0|1,0,1]=2 151 B16R2.179941 C[C@@H](O)COc1cccc2c1cccc2 7a_100000210388_100009817552 [0,0,0,0,0,0|1,0,1]=2 152 B16R2.179941 C[C@@H](O)COc1cccc2c1cccn2 34a_100011197808_100009817552 [0,0,0,0,0,0|2,0,1]=3 153 B16R2.179941 C[C@@H](O)COc1cccc2c1ccnc2 34a_100011218533_100009817552 [0,0,0,0,0,0|2,0,1]=3 154 B16R2.179941 C[C@@H](O)COc1cccc2c1cncc2 34a_103624766955_100009817552 [0,0,0,0,0,0|2,0,1]=3 155 B16R2.179941 C[C@@H](O)COc1cccc2c1nccc2 34a_100000056035_100009817552 [0,0,0,0,0,0|2,0,1]=3 156 B16R2.179941 C[C@@H](O)COc1cccc2c1nccn2 34a_100000077048_100009817552 [0,0,0,0,0,0|3,0,1]=4 157 B16R2.179941 C[C@@H](O)COc1cccc2c1ncnc2 34a_200000077003_100009817552 [0,0,0,0,0,0|3,0,1]=4 158 B16R2.179941 C[C@@H](O)COc1cncc2c1cccc2 34a_100000066178_100009817552 [0,0,0,0,0,0|2,0,1]=3 159 B16R2.179941 C[C@@H](O)COc1cncc2c1cccc2 7a_100000066178_100009817552 [0,0,0,0,0,0|2,0,1]=3 160 B16R2.179941 C[C@@H](O)COc1nccc2c1cccc2 34a_102531767632_100009817552 [0,0,0,0,0,0|2,0,1]=3 161 B16R2.179941 C[C@@H](O)CSc1cccc2c1cccc2 62a_100009817552_100000210605 [0,0,0,0,0,0|1,1,1]=3 162 B16R2.179941 C[C@@H](O)CSc1cccc2c1cccn2 62a_100009817552_100011290932 [0,0,0,0,0,0|2,1,1]=4 163 B16R2.179941 C[C@@H](O)CSc1cccc2c1cccn2 62a_100011290932_100009817552 [0,0,0,0,0,0|2,1,1]=4 164 B16R2.179941 C[C@@H](O)CSc1cccc2c1ccnc2 62a_100000186358_100009817552 [0,0,0,0,0,0|2,1,1]=4 165 B16R2.179941 C[C@@H](O)CSc1cccc2c1ccnc2 62a_100009817552_100000186358 [0,0,0,0,0,0|2,1,1]=4 166 B16R2.179941 C[C@@H](O)CSc1cccc2c1cncc2 62a_100000685578_100009817552 [0,0,0,0,0,0|2,1,1]=4 167 B16R2.179941 C[C@@H](O)CSc1cccc2c1cncc2 62a_100009817552_100000685578 [0,0,0,0,0,0|2,1,1]=4 168 B16R2.179941 C[C@@H](O)CSc1cccc2c1nccc2 62a_100009817552_100011215545 [0,0,0,0,0,0|2,1,1]=4 169 B16R2.179941 C[C@@H](O)CSc1ccnc2c1cccc2 62a_100009817552_100011215880 [0,0,0,0,0,0|2,1,1]=4 170 B16R2.179941 C[C@@H](O)CSc1ccnc2c1cccc2 62a_100011458314_100009817552 [0,0,0,0,0,0|2,1,1]=4 171 B16R2.179941 C[C@@H](O)CSc1cncc2c1cccc2 62a_100000187577_100009817552 [0,0,0,0,0,0|2,1,1]=4 172 B16R2.179941 C[C@@H](O)CSc1cncc2c1cccc2 62a_100009817552_100000187577 [0,0,0,0,0,0|2,1,1]=4 173 B16R2.179941 C[C@@H](O)CSc1nccc2c1cccc2 62a_100009817552_100011934041 [0,0,0,0,0,0|2,1,1]=4 174 B16R2.179941 C[C@@H](O)CSc1nccc2c1cccc2 62a_100011934041_100009817552 [0,0,0,0,0,0|2,1,1]=4 175 B16R2.179941 FC(F)CNc1cccc2c1cccc2 34a_100000185869_100011934356 [0,0,0,0,0,0|3,0,1]=4 176 B16R2.179941 FC(F)COc1cccc2c1cccc2 34a_100000210388_100011934356 [0,0,0,0,0,0|2,0,1]=3 177 B16R2.179941 FC(F)COc1cccc2c1cccc2 7a_100000210388_100011934356 [0,0,0,0,0,0|2,0,1]=3 178 B16R2.179941 FC(F)COc1cccc2c1cccn2 34a_100011197808_100011934356 [0,0,0,0,0,0|3,0,1]=4 179 B16R2.179941 FC(F)COc1cccc2c1ccnc2 34a_100011218533_100011934356 [0,0,0,0,0,0|3,0,1]=4 180 B16R2.179941 FC(F)COc1cccc2c1cncc2 34a_103624766955_100011934356 [0,0,0,0,0,0|3,0,1]=4 181 B16R2.179941 FC(F)COc1cccc2c1nccc2 34a_100000056035_100011934356 [0,0,0,0,0,0|3,0,1]=4 182 B16R2.179941 FC(F)COc1cncc2c1cccc2 34a_100000066178_100011934356 [0,0,0,0,0,0|3,0,1]=4 183 B16R2.179941 FC(F)COc1cncc2c1cccc2 7a_100000066178_100011934356 [0,0,0,0,0,0|3,0,1]=4 184 B16R2.179941 FC(F)COc1nccc2c1cccc2 34a_102531767632_100011934356 [0,0,0,0,0,0|3,0,1]=4 185 B16R2.179941 FC(F)CSc1cccc2c1cccc2 62a_100011934356_100000210605 [0,0,0,0,0,0|2,1,1]=4 186 B16R2.179941 NC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000187820 [0,0,0,0,0,0|2,0,0]=2 187 B16R2.179941 NC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000187820 [0,0,0,0,0,0|3,0,0]=3 188 B16R2.179941 NC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000187820 [0,0,0,0,0,0|3,0,0]=3 189 B16R2.179941 NC(=O)COc1cccc2c1CC=CC2 34a_100000074931_100000187820 [0,0,0,0,0,0|1,0,2]=3 190 B16R2.179941 NC(=O)COc1cccc2c1CC=CC2 7a_100000074931_100000187820 [0,0,0,0,0,0|1,0,2]=3 191 B16R2.179941 NC(=O)COc1cccc2c1cccc2 34a_100000210388_100000187820 [0,0,0,0,0,0|1,0,0]=1 192 B16R2.179941 NC(=O)COc1cccc2c1cccc2 7a_100000210388_100000187820 [0,0,0,0,0,0|1,0,0]=1 193 B16R2.179941 NC(=O)COc1cccc2c1cccn2 34a_100011197808_100000187820 [0,0,0,0,0,0|2,0,0]=2 194 B16R2.179941 NC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000187820 [0,0,0,0,0,0|2,0,0]=2 195 B16R2.179941 NC(=O)COc1cccc2c1cncc2 34a_103624766955_100000187820 [0,0,0,0,0,0|2,0,0]=2 196 B16R2.179941 NC(=O)COc1cccc2c1nccc2 34a_100000056035_100000187820 [0,0,0,0,0,0|2,0,0]=2 197 B16R2.179941 NC(=O)COc1cccc2c1nccn2 34a_100000077048_100000187820 [0,0,0,0,0,0|3,0,0]=3 198 B16R2.179941 NC(=O)COc1cccc2c1ncnc2 34a_200000077003_100000187820 [0,0,0,0,0,0|3,0,0]=3 199 B16R2.179941 NC(=O)COc1cncc2c1cccc2 34a_100000066178_100000187820 [0,0,0,0,0,0|2,0,0]=2 200 B16R2.179941 NC(=O)COc1cncc2c1cccc2 7a_100000066178_100000187820 [0,0,0,0,0,0|2,0,0]=2 201 B16R2.179941 NC(=O)COc1nccc2c1cccc2 34a_102531767632_100000187820 [0,0,0,0,0,0|2,0,0]=2 202 B16R2.179941 NC(=O)CSc1cccc2c1cccc2 62a_100000747473_100000210605 [0,0,0,0,0,0|1,1,0]=2 203 B16R2.179941 NC(=O)CSc1cccc2c1cccn2 62a_100000747473_100011290932 [0,0,0,0,0,0|2,1,0]=3 204 B16R2.179941 NC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000747473 [0,0,0,0,0,0|2,1,0]=3 205 B16R2.179941 NC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000747473 [0,0,0,0,0,0|2,1,0]=3 206 B16R2.179941 NC(=O)CSc1cccc2c1ccnc2 62a_100000747473_100000186358 [0,0,0,0,0,0|2,1,0]=3 207 B16R2.179941 NC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000747473 [0,0,0,0,0,0|2,1,0]=3 208 B16R2.179941 NC(=O)CSc1cccc2c1cncc2 62a_100000747473_100000685578 [0,0,0,0,0,0|2,1,0]=3 209 B16R2.179941 NC(=O)CSc1cccc2c1cncn2 62a_100000747473_100009814520 [0,0,0,0,0,0|3,1,0]=4 210 B16R2.179941 NC(=O)CSc1cccc2c1cncn2 62a_100009814520_100000747473 [0,0,0,0,0,0|3,1,0]=4 211 B16R2.179941 NC(=O)CSc1cccc2c1nccc2 62a_100000747473_100011215545 [0,0,0,0,0,0|2,1,0]=3 212 B16R2.179941 NC(=O)CSc1cccc2c1nccn2 62a_100000747473_100010003881 [0,0,0,0,0,0|3,1,0]=4 213 B16R2.179941 NC(=O)CSc1cccc2c1nccn2 62a_100010003881_100000747473 [0,0,0,0,0,0|3,1,0]=4 214 B16R2.179941 NC(=O)CSc1cccc2c1ncnc2 62a_100000747473_100010246313 [0,0,0,0,0,0|3,1,0]=4 215 B16R2.179941 NC(=O)CSc1cccc2c1ncnc2 62a_100010246313_100000747473 [0,0,0,0,0,0|3,1,0]=4 216 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100000747473_100011215880 [0,0,0,0,0,0|2,1,0]=3 217 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747473 [0,0,0,0,0,0|2,1,0]=3 218 B16R2.179941 NC(=O)CSc1ccnc2c1cccn2 62a_100000087570_100000747473 [0,0,0,0,0,0|3,1,0]=4 219 B16R2.179941 NC(=O)CSc1ccnc2c1cccn2 62a_100000747473_100000087570 [0,0,0,0,0,0|3,1,0]=4 220 B16R2.179941 NC(=O)CSc1ccnc2c1cncc2 62a_100000095135_100000747473 [0,0,0,0,0,0|3,1,0]=4 221 B16R2.179941 NC(=O)CSc1ccnc2c1cncc2 62a_100000747473_100000095135 [0,0,0,0,0,0|3,1,0]=4 222 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747473 [0,0,0,0,0,0|2,1,0]=3 223 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000747473_100000187577 [0,0,0,0,0,0|2,1,0]=3 224 B16R2.179941 NC(=O)CSc1cncc2c1cccn2 62a_100000747473_100010211308 [0,0,0,0,0,0|3,1,0]=4 225 B16R2.179941 NC(=O)CSc1cncc2c1cccn2 62a_100010211308_100000747473 [0,0,0,0,0,0|3,1,0]=4 226 B16R2.179941 NC(=O)CSc1cncc2c1ccnc2 62a_100000747473_100010134378 [0,0,0,0,0,0|3,1,0]=4 227 B16R2.179941 NC(=O)CSc1cncc2c1ccnc2 62a_100010134378_100000747473 [0,0,0,0,0,0|3,1,0]=4 228 B16R2.179941 NC(=O)CSc1cnnc2c1cccc2 62a_100000747473_100000063506 [0,0,0,0,0,0|3,1,0]=4 229 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100000747473_100011934041 [0,0,0,0,0,0|2,1,0]=3 230 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747473 [0,0,0,0,0,0|2,1,0]=3 231 B16R2.179941 NC(=O)CSc1nccc2c1cccn2 62a_100000747473_100000077681 [0,0,0,0,0,0|3,1,0]=4 232 B16R2.179941 NC(=O)CSc1nccc2c1cncc2 62a_100000747473_100000116921 [0,0,0,0,0,0|3,1,0]=4 233 B16R2.179941 NC(=O)CSc1nccc2c1cncc2 62a_200010063730_100000747473 [0,0,0,0,0,0|3,1,0]=4 234 B16R2.179941 NC(=O)CSc1nccc2c1nccc2 62a_100000747473_100010063729 [0,0,0,0,0,0|3,1,0]=4 235 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000747473_100000217608 [0,0,0,0,0,0|3,1,0]=4 236 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000753007_100000747473 [0,0,0,0,0,0|3,1,0]=4 237 B16R2.179941 NC(=O)CSc1nncc2c1cccc2 62a_100000747473_100025712358 [0,0,0,0,0,0|3,1,0]=4 238 B16R2.179941 O=C([O-])CNc1cccc2c1cccc2 34a_100000185869_100020667443 [0,0,0,0,0,0|1,0,1]=2 239 B16R2.179941 O=C([O-])CNc1cccc2c1cccn2 34a_100000183906_100020667443 [0,0,0,0,0,0|2,0,1]=3 240 B16R2.179941 O=C([O-])CNc1cccc2c1nccc2 34a_100000181377_100020667443 [0,0,0,0,0,0|2,0,1]=3 241 B16R2.179941 O=C([O-])COc1cccc2c1CC=CC2 34a_100000074931_100020667443 [0,0,0,0,0,0|0,0,3]=3 242 B16R2.179941 O=C([O-])COc1cccc2c1cccc2 34a_100000210388_100020667443 [0,0,0,0,0,0|0,0,1]=1 243 B16R2.179941 O=C([O-])COc1cccc2c1cccn2 34a_100011197808_100020667443 [0,0,0,0,0,0|1,0,1]=2 244 B16R2.179941 O=C([O-])COc1cccc2c1ccnc2 34a_100011218533_100020667443 [0,0,0,0,0,0|1,0,1]=2 245 B16R2.179941 O=C([O-])COc1cccc2c1cncc2 34a_103624766955_100020667443 [0,0,0,0,0,0|1,0,1]=2 246 B16R2.179941 O=C([O-])COc1cccc2c1nccc2 34a_100000056035_100020667443 [0,0,0,0,0,0|1,0,1]=2 247 B16R2.179941 O=C([O-])COc1cccc2c1nccn2 34a_100000077048_100020667443 [0,0,0,0,0,0|2,0,1]=3 248 B16R2.179941 O=C([O-])COc1cccc2c1ncnc2 34a_200000077003_100020667443 [0,0,0,0,0,0|2,0,1]=3 249 B16R2.179941 O=C([O-])COc1cncc2c1cccc2 34a_100000066178_100020667443 [0,0,0,0,0,0|1,0,1]=2 250 B16R2.179941 O=C([O-])COc1nccc2c1cccc2 34a_102531767632_100020667443 [0,0,0,0,0,0|1,0,1]=2 251 B16R2.179941 O=C([O-])CSc1cccc2c1cccc2 62a_100020667443_100000210605 [0,0,0,0,0,0|0,1,1]=2 252 B16R2.179941 O=C([O-])CSc1cccc2c1cccn2 62a_100011290932_100020667443 [0,0,0,0,0,0|1,1,1]=3 253 B16R2.179941 O=C([O-])CSc1cccc2c1cccn2 62a_100020667443_100011290932 [0,0,0,0,0,0|1,1,1]=3 254 B16R2.179941 O=C([O-])CSc1cccc2c1ccnc2 62a_100000186358_100020667443 [0,0,0,0,0,0|1,1,1]=3 255 B16R2.179941 O=C([O-])CSc1cccc2c1ccnc2 62a_100020667443_100000186358 [0,0,0,0,0,0|1,1,1]=3 256 B16R2.179941 O=C([O-])CSc1cccc2c1cncc2 62a_100000685578_100020667443 [0,0,0,0,0,0|1,1,1]=3 257 B16R2.179941 O=C([O-])CSc1cccc2c1cncc2 62a_100020667443_100000685578 [0,0,0,0,0,0|1,1,1]=3 258 B16R2.179941 O=C([O-])CSc1cccc2c1cncn2 62a_100009814520_100020667443 [0,0,0,0,0,0|2,1,1]=4 259 B16R2.179941 O=C([O-])CSc1cccc2c1cncn2 62a_100020667443_100009814520 [0,0,0,0,0,0|2,1,1]=4 260 B16R2.179941 O=C([O-])CSc1cccc2c1nccc2 62a_100020667443_100011215545 [0,0,0,0,0,0|1,1,1]=3 261 B16R2.179941 O=C([O-])CSc1cccc2c1nccn2 62a_100010003881_100020667443 [0,0,0,0,0,0|2,1,1]=4 262 B16R2.179941 O=C([O-])CSc1cccc2c1nccn2 62a_100020667443_100010003881 [0,0,0,0,0,0|2,1,1]=4 263 B16R2.179941 O=C([O-])CSc1cccc2c1ncnc2 62a_100010246313_100020667443 [0,0,0,0,0,0|2,1,1]=4 264 B16R2.179941 O=C([O-])CSc1cccc2c1ncnc2 62a_100020667443_100010246313 [0,0,0,0,0,0|2,1,1]=4 265 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100011458314_100020667443 [0,0,0,0,0,0|1,1,1]=3 266 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100020667443_100011215880 [0,0,0,0,0,0|1,1,1]=3 267 B16R2.179941 O=C([O-])CSc1ccnc2c1cccn2 62a_100000087570_100020667443 [0,0,0,0,0,0|2,1,1]=4 268 B16R2.179941 O=C([O-])CSc1ccnc2c1cccn2 62a_100020667443_100000087570 [0,0,0,0,0,0|2,1,1]=4 269 B16R2.179941 O=C([O-])CSc1ccnc2c1cncc2 62a_100000095135_100020667443 [0,0,0,0,0,0|2,1,1]=4 270 B16R2.179941 O=C([O-])CSc1ccnc2c1cncc2 62a_100020667443_100000095135 [0,0,0,0,0,0|2,1,1]=4 271 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100000187577_100020667443 [0,0,0,0,0,0|1,1,1]=3 272 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100020667443_100000187577 [0,0,0,0,0,0|1,1,1]=3 273 B16R2.179941 O=C([O-])CSc1cncc2c1cccn2 62a_100010211308_100020667443 [0,0,0,0,0,0|2,1,1]=4 274 B16R2.179941 O=C([O-])CSc1cncc2c1cccn2 62a_100020667443_100010211308 [0,0,0,0,0,0|2,1,1]=4 275 B16R2.179941 O=C([O-])CSc1cncc2c1ccnc2 62a_100010134378_100020667443 [0,0,0,0,0,0|2,1,1]=4 276 B16R2.179941 O=C([O-])CSc1cncc2c1ccnc2 62a_100020667443_100010134378 [0,0,0,0,0,0|2,1,1]=4 277 B16R2.179941 O=C([O-])CSc1cnnc2c1cccc2 62a_100020667443_100000063506 [0,0,0,0,0,0|2,1,1]=4 278 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100011934041_100020667443 [0,0,0,0,0,0|1,1,1]=3 279 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100020667443_100011934041 [0,0,0,0,0,0|1,1,1]=3 280 B16R2.179941 O=C([O-])CSc1nccc2c1cccn2 62a_100020667443_100000077681 [0,0,0,0,0,0|2,1,1]=4 281 B16R2.179941 O=C([O-])CSc1nccc2c1cncc2 62a_100020667443_100000116921 [0,0,0,0,0,0|2,1,1]=4 282 B16R2.179941 O=C([O-])CSc1nccc2c1cncc2 62a_200010063730_100020667443 [0,0,0,0,0,0|2,1,1]=4 283 B16R2.179941 O=C([O-])CSc1nccc2c1nccc2 62a_100020667443_100010063729 [0,0,0,0,0,0|2,1,1]=4 284 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100000753007_100020667443 [0,0,0,0,0,0|2,1,1]=4 285 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100020667443_100000217608 [0,0,0,0,0,0|2,1,1]=4 286 B16R2.179941 O=C([O-])CSc1nncc2c1cccc2 62a_100020667443_100025712358 [0,0,0,0,0,0|2,1,1]=4 287 B16R2.179941 O=[N+]([O-])CNc1cccc2c1cccc2 34a_100000185869_100000761209 [0,0,0,0,0,0|2,0,1]=3 288 B16R2.179941 O=[N+]([O-])CNc1cccc2c1cccn2 34a_100000183906_100000761209 [0,0,0,0,0,0|3,0,1]=4 289 B16R2.179941 O=[N+]([O-])CNc1cccc2c1nccc2 34a_100000181377_100000761209 [0,0,0,0,0,0|3,0,1]=4 290 B16R2.179941 O=[N+]([O-])COc1cccc2c1CC=CC2 34a_100000074931_100000761209 [0,0,0,0,0,0|1,0,3]=4 291 B16R2.179941 O=[N+]([O-])COc1cccc2c1cccc2 34a_100000210388_100000761209 [0,0,0,0,0,0|1,0,1]=2 292 B16R2.179941 O=[N+]([O-])COc1cccc2c1cccn2 34a_100011197808_100000761209 [0,0,0,0,0,0|2,0,1]=3 293 B16R2.179941 O=[N+]([O-])COc1cccc2c1ccnc2 34a_100011218533_100000761209 [0,0,0,0,0,0|2,0,1]=3 294 B16R2.179941 O=[N+]([O-])COc1cccc2c1cncc2 34a_103624766955_100000761209 [0,0,0,0,0,0|2,0,1]=3 295 B16R2.179941 O=[N+]([O-])COc1cccc2c1nccc2 34a_100000056035_100000761209 [0,0,0,0,0,0|2,0,1]=3 296 B16R2.179941 O=[N+]([O-])COc1cccc2c1nccn2 34a_100000077048_100000761209 [0,0,0,0,0,0|3,0,1]=4 297 B16R2.179941 O=[N+]([O-])COc1cccc2c1ncnc2 34a_200000077003_100000761209 [0,0,0,0,0,0|3,0,1]=4 298 B16R2.179941 O=[N+]([O-])COc1cncc2c1cccc2 34a_100000066178_100000761209 [0,0,0,0,0,0|2,0,1]=3 299 B16R2.179941 O=[N+]([O-])COc1nccc2c1cccc2 34a_102531767632_100000761209 [0,0,0,0,0,0|2,0,1]=3 300 B16R2.179941 O=[N+]([O-])CSc1cccc2c1cccn2 62a_100011290932_100000761209 [0,0,0,0,0,0|2,1,1]=4 301 B16R2.179941 O=[N+]([O-])CSc1cccc2c1ccnc2 62a_100000186358_100000761209 [0,0,0,0,0,0|2,1,1]=4 302 B16R2.179941 O=[N+]([O-])CSc1cccc2c1cncc2 62a_100000685578_100000761209 [0,0,0,0,0,0|2,1,1]=4 303 B16R2.179941 O=[N+]([O-])CSc1ccnc2c1cccc2 62a_100011458314_100000761209 [0,0,0,0,0,0|2,1,1]=4 304 B16R2.179941 O=[N+]([O-])CSc1cncc2c1cccc2 62a_100000187577_100000761209 [0,0,0,0,0,0|2,1,1]=4 305 B16R2.179941 O=[N+]([O-])CSc1nccc2c1cccc2 62a_100011934041_100000761209 [0,0,0,0,0,0|2,1,1]=4 306 B16R2.179941 [13CH3]C(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_200025704644 [0,0,0,0,0,0|2,0,1]=3 307 B16R2.179941 [13CH3]C(=O)C=Cc1cccc2c1nccc2 1458a_100000735392_200025704644 [0,0,0,0,0,0|3,0,1]=4 308 B16R2.179941 [13CH3]C(=O)CCc1cccc2c1cccc2 1458a_100011218451_200025704644 [0,0,0,0,0,0|2,0,0]=2 309 B16R2.179941 [13CH3]C(=O)COc1cccc2c1cccc2 1458a_100000183701_200025704644 [0,0,0,0,0,0|1,0,0]=1 310 B16R2.179941 [13CH3]C(=O)COc1cccc2c1nccc2 1458a_100000182336_200025704644 [0,0,0,0,0,0|2,0,0]=2 311 B16R2.179941 [13CH3]C(=O)COc1ncnc2c1cccc2 1458a_100000216300_200025704644 [0,0,0,0,0,0|3,0,0]=3 312 B15R2.18471 C#CCNc1cccc2c1cccc2 34a_100000185869_100000184674 [1,0,0,0,0,0|2,0,1]=4 313 B15R2.18471 C#CCOc1cccc2c1cccc2 34a_100000210388_100000184674 [1,0,0,0,0,0|1,0,1]=3 314 B15R2.18471 C#CCOc1cccc2c1cccc2 7a_100000210388_100000038162 [1,0,0,0,0,0|1,0,1]=3 315 B15R2.18471 C#CCOc1cccc2c1cccn2 34a_100011197808_100000184674 [1,0,0,0,0,0|2,0,1]=4 316 B15R2.18471 C#CCOc1cccc2c1ccnc2 34a_100011218533_100000184674 [1,0,0,0,0,0|2,0,1]=4 317 B15R2.18471 C#CCOc1cccc2c1cncc2 34a_103624766955_100000184674 [1,0,0,0,0,0|2,0,1]=4 318 B15R2.18471 C#CCOc1cccc2c1nccc2 34a_100000056035_100000184674 [1,0,0,0,0,0|2,0,1]=4 319 B15R2.18471 C#CCOc1cncc2c1cccc2 34a_100000066178_100000184674 [1,0,0,0,0,0|2,0,1]=4 320 B15R2.18471 C#CCOc1cncc2c1cccc2 7a_100000066178_100000038162 [1,0,0,0,0,0|2,0,1]=4 321 B15R2.18471 C#CCOc1nccc2c1cccc2 34a_102531767632_100000184674 [1,0,0,0,0,0|2,0,1]=4 322 B15R2.18471 C#CCSc1cccc2c1cccc2 62a_100000038162_100000210605 [1,0,0,0,0,0|1,1,1]=4 323 B15R2.18471 C=CCNc1cccc2c1cccc2 34a_100000185869_100015514636 [1,0,0,0,0,0|2,0,0]=3 324 B15R2.18471 C=CCNc1cccc2c1cccn2 27a_100020586998_100011290932 [1,0,0,0,0,0|3,0,0]=4 325 B15R2.18471 C=CCNc1cccc2c1cccn2 34a_100000183906_100015514636 [1,0,0,0,0,0|3,0,0]=4 326 B15R2.18471 C=CCNc1cccc2c1nccc2 34a_100000181377_100015514636 [1,0,0,0,0,0|3,0,0]=4 327 B15R2.18471 C=CCNc1ccnc2c1cccc2 27a_100020586998_100011215880 [1,0,0,0,0,0|3,0,0]=4 328 B15R2.18471 C=CCNc1nccc2c1cccc2 27a_100020586998_100011934041 [1,0,0,0,0,0|3,0,0]=4 329 B15R2.18471 C=CCOc1cccc2c1CC=CC2 34a_100000074931_100015514636 [1,0,0,0,0,0|1,0,2]=4 330 B15R2.18471 C=CCOc1cccc2c1CC=CC2 7a_100000074931_100015514636 [1,0,0,0,0,0|1,0,2]=4 331 B15R2.18471 C=CCOc1cccc2c1cccc2 34a_100000210388_100015514636 [1,0,0,0,0,0|1,0,0]=2 332 B15R2.18471 C=CCOc1cccc2c1cccc2 7a_100000210388_100015514636 [1,0,0,0,0,0|1,0,0]=2 333 B15R2.18471 C=CCOc1cccc2c1cccn2 34a_100011197808_100015514636 [1,0,0,0,0,0|2,0,0]=3 334 B15R2.18471 C=CCOc1cccc2c1ccnc2 34a_100011218533_100015514636 [1,0,0,0,0,0|2,0,0]=3 335 B15R2.18471 C=CCOc1cccc2c1cncc2 34a_103624766955_100015514636 [1,0,0,0,0,0|2,0,0]=3 336 B15R2.18471 C=CCOc1cccc2c1nccc2 34a_100000056035_100015514636 [1,0,0,0,0,0|2,0,0]=3 337 B15R2.18471 C=CCOc1cccc2c1nccn2 34a_100000077048_100015514636 [1,0,0,0,0,0|3,0,0]=4 338 B15R2.18471 C=CCOc1cccc2c1ncnc2 34a_200000077003_100015514636 [1,0,0,0,0,0|3,0,0]=4 339 B15R2.18471 C=CCOc1cncc2c1cccc2 34a_100000066178_100015514636 [1,0,0,0,0,0|2,0,0]=3 340 B15R2.18471 C=CCOc1cncc2c1cccc2 7a_100000066178_100015514636 [1,0,0,0,0,0|2,0,0]=3 341 B15R2.18471 C=CCOc1nccc2c1cccc2 34a_102531767632_100015514636 [1,0,0,0,0,0|2,0,0]=3 342 B15R2.18471 C=CCSc1cccc2c1cccc2 62a_100000210623_100000210605 [1,0,0,0,0,0|1,1,0]=3 343 B15R2.18471 C=CCSc1cccc2c1cccn2 62a_100000210623_100011290932 [1,0,0,0,0,0|2,1,0]=4 344 B15R2.18471 C=CCSc1cccc2c1cccn2 62a_100011290932_100000210623 [1,0,0,0,0,0|2,1,0]=4 345 B15R2.18471 C=CCSc1cccc2c1ccnc2 62a_100000186358_100000210623 [1,0,0,0,0,0|2,1,0]=4 346 B15R2.18471 C=CCSc1cccc2c1ccnc2 62a_100000210623_100000186358 [1,0,0,0,0,0|2,1,0]=4 347 B15R2.18471 C=CCSc1cccc2c1cncc2 62a_100000210623_100000685578 [1,0,0,0,0,0|2,1,0]=4 348 B15R2.18471 C=CCSc1cccc2c1cncc2 62a_100000685578_100000210623 [1,0,0,0,0,0|2,1,0]=4 349 B15R2.18471 C=CCSc1cccc2c1nccc2 62a_100000210623_100011215545 [1,0,0,0,0,0|2,1,0]=4 350 B15R2.18471 C=CCSc1ccnc2c1cccc2 62a_100000210623_100011215880 [1,0,0,0,0,0|2,1,0]=4 351 B15R2.18471 C=CCSc1ccnc2c1cccc2 62a_100011458314_100000210623 [1,0,0,0,0,0|2,1,0]=4 352 B15R2.18471 C=CCSc1cncc2c1cccc2 62a_100000187577_100000210623 [1,0,0,0,0,0|2,1,0]=4 353 B15R2.18471 C=CCSc1cncc2c1cccc2 62a_100000210623_100000187577 [1,0,0,0,0,0|2,1,0]=4 354 B15R2.18471 C=CCSc1nccc2c1cccc2 62a_100000210623_100011934041 [1,0,0,0,0,0|2,1,0]=4 355 B15R2.18471 C=CCSc1nccc2c1cccc2 62a_100011934041_100000210623 [1,0,0,0,0,0|2,1,0]=4 356 B15R2.18471 CC=NNc1cccc2c1cccc2 4a_100000006939_200000210099 [1,0,0,0,0,0|3,0,0]=4 357 B15R2.18471 CCCCc1cccc2c1cccc2 271570a_100020621405_100000210605 [1,0,0,0,0,0|2,0,1]=4 358 B15R2.18471 CCCNc1cccc2c1cccc2 34a_100000185869_100000210303 [1,0,0,0,0,0|2,0,1]=4 359 B15R2.18471 CCCOc1cccc2c1cccc2 34a_100000210388_100000210303 [1,0,0,0,0,0|1,0,1]=3 360 B15R2.18471 CCCOc1cccc2c1cccc2 7a_100000210388_100000210303 [1,0,0,0,0,0|1,0,1]=3 361 B15R2.18471 CCCOc1cccc2c1cccn2 34a_100011197808_100000210303 [1,0,0,0,0,0|2,0,1]=4 362 B15R2.18471 CCCOc1cccc2c1ccnc2 34a_100011218533_100000210303 [1,0,0,0,0,0|2,0,1]=4 363 B15R2.18471 CCCOc1cccc2c1cncc2 34a_103624766955_100000210303 [1,0,0,0,0,0|2,0,1]=4 364 B15R2.18471 CCCOc1cccc2c1nccc2 34a_100000056035_100000210303 [1,0,0,0,0,0|2,0,1]=4 365 B15R2.18471 CCCOc1cncc2c1cccc2 34a_100000066178_100000210303 [1,0,0,0,0,0|2,0,1]=4 366 B15R2.18471 CCCOc1cncc2c1cccc2 7a_100000066178_100000210303 [1,0,0,0,0,0|2,0,1]=4 367 B15R2.18471 CCCOc1nccc2c1cccc2 34a_102531767632_100000210303 [1,0,0,0,0,0|2,0,1]=4 368 B15R2.18471 CCCSc1cccc2c1cccc2 62a_100000210303_100000210605 [1,0,0,0,0,0|1,1,1]=4 369 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_100000751862_200000210301 [1,0,0,0,0,0|3,0,0]=4 370 B15R2.18471 CNCCc1cccc2c1cccc2 2230a_106832991635_100011290781 [1,0,0,0,0,0|3,0,0]=4 371 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100000751862_200000210301 [1,0,0,0,0,0|3,0,0]=4 372 B15R2.18471 CNCCc1cccc2c1cccc2 34a_100102657272_100011290781 [1,0,0,0,0,0|3,0,0]=4 373 B15R2.18471 CNCCc1cccc2c1cccc2 7a_106832991635_100011290781 [1,0,0,0,0,0|3,0,0]=4 374 B15R2.18471 COCCc1cccc2c1cccc2 34a_100011219628_200000210301 [1,0,0,0,0,0|3,0,0]=4 375 B15R2.18471 COCCc1cccc2c1cccc2 34a_100138415774_100011290781 [1,0,0,0,0,0|3,0,0]=4 376 B15R2.18471 COCCc1cccc2c1cccc2 7a_100011219628_200000210301 [1,0,0,0,0,0|3,0,0]=4 377 B15R2.18471 COCSc1cccc2c1cccc2 62a_100000766300_100000210605 [1,0,0,0,0,0|2,1,0]=4 378 B15R2.18471 CSCCc1cccc2c1cccc2 62a_100011290781_200000210301 [1,0,0,0,0,0|3,0,0]=4 379 B15R2.18471 CSCCc1cccc2c1cccc2 62a_200000210301_100011290781 [1,0,0,0,0,0|3,0,0]=4 380 B15R2.18471 CSCNc1cccc2c1cccc2 34a_100000185869_100011218213 [1,0,0,0,0,0|3,0,0]=4 381 B15R2.18471 CSCOc1cccc2c1cccc2 34a_100000210388_100011218213 [1,0,0,0,0,0|2,0,0]=3 382 B15R2.18471 CSCOc1cccc2c1cccn2 34a_100011197808_100011218213 [1,0,0,0,0,0|3,0,0]=4 383 B15R2.18471 CSCOc1cccc2c1ccnc2 34a_100011218533_100011218213 [1,0,0,0,0,0|3,0,0]=4 384 B15R2.18471 CSCOc1cccc2c1cncc2 34a_103624766955_100011218213 [1,0,0,0,0,0|3,0,0]=4 385 B15R2.18471 CSCOc1cccc2c1nccc2 34a_100000056035_100011218213 [1,0,0,0,0,0|3,0,0]=4 386 B15R2.18471 CSCOc1cncc2c1cccc2 34a_100000066178_100011218213 [1,0,0,0,0,0|3,0,0]=4 387 B15R2.18471 CSCOc1nccc2c1cccc2 34a_102531767632_100011218213 [1,0,0,0,0,0|3,0,0]=4 388 B15R2.18471 CSCSc1cccc2c1cccc2 62a_100011218213_100000210605 [1,0,0,0,0,0|2,1,0]=4 389 B15R2.18471 FCCNc1cccc2c1cccc2 34a_100000185869_100011217306 [1,0,0,0,0,0|2,0,1]=4 390 B15R2.18471 FCCOc1cccc2c1cccc2 34a_100000210388_100011217306 [1,0,0,0,0,0|1,0,1]=3 391 B15R2.18471 FCCOc1cccc2c1cccc2 7a_100000210388_100011217306 [1,0,0,0,0,0|1,0,1]=3 392 B15R2.18471 FCCOc1cccc2c1cccn2 34a_100011197808_100011217306 [1,0,0,0,0,0|2,0,1]=4 393 B15R2.18471 FCCOc1cccc2c1ccnc2 34a_100011218533_100011217306 [1,0,0,0,0,0|2,0,1]=4 394 B15R2.18471 FCCOc1cccc2c1cncc2 34a_103624766955_100011217306 [1,0,0,0,0,0|2,0,1]=4 395 B15R2.18471 FCCOc1cccc2c1nccc2 34a_100000056035_100011217306 [1,0,0,0,0,0|2,0,1]=4 396 B15R2.18471 FCCOc1cncc2c1cccc2 34a_100000066178_100011217306 [1,0,0,0,0,0|2,0,1]=4 397 B15R2.18471 FCCOc1cncc2c1cccc2 7a_100000066178_100011217306 [1,0,0,0,0,0|2,0,1]=4 398 B15R2.18471 FCCOc1nccc2c1cccc2 34a_102531767632_100011217306 [1,0,0,0,0,0|2,0,1]=4 399 B15R2.18471 FCCSc1cccc2c1cccc2 62a_100011217306_100000210605 [1,0,0,0,0,0|1,1,1]=4 400 B15R2.18471 N#CCOc1cccc2c1cccc2 7a_100000210388_100011215382 [1,0,0,0,0,0|1,0,1]=3 401 B15R2.18471 N#CCOc1cncc2c1cccc2 7a_100000066178_100011215382 [1,0,0,0,0,0|2,0,1]=4 402 B15R2.18471 N#CCSc1cccc2c1cccc2 62a_100011215382_100000210605 [1,0,0,0,0,0|1,1,1]=4 403 B15R2.18471 O=CCNc1cccc2c1cccc2 34a_100000185869_200009817547 [1,0,0,0,0,0|1,0,0]=2 404 B15R2.18471 O=CCNc1cccc2c1cccn2 34a_100000183906_200009817547 [1,0,0,0,0,0|2,0,0]=3 405 B15R2.18471 O=CCNc1cccc2c1nccc2 34a_100000181377_200009817547 [1,0,0,0,0,0|2,0,0]=3 406 B15R2.18471 O=CCOc1cccc2c1CC=CC2 34a_100000074931_200009817547 [1,0,0,0,0,0|0,0,2]=3 407 B15R2.18471 O=CCOc1cccc2c1CC=CC2 7a_100000074931_200015260668 [1,0,0,0,0,0|0,0,2]=3 408 B15R2.18471 O=CCOc1cccc2c1cccc2 34a_100000210388_200009817547 [1,0,0,0,0,0|0,0,0]=1 409 B15R2.18471 O=CCOc1cccc2c1cccc2 7a_100000210388_200015260668 [1,0,0,0,0,0|0,0,0]=1 410 B15R2.18471 O=CCOc1cccc2c1cccn2 34a_100011197808_200009817547 [1,0,0,0,0,0|1,0,0]=2 411 B15R2.18471 O=CCOc1cccc2c1ccnc2 34a_100011218533_200009817547 [1,0,0,0,0,0|1,0,0]=2 412 B15R2.18471 O=CCOc1cccc2c1cncc2 34a_103624766955_200009817547 [1,0,0,0,0,0|1,0,0]=2 413 B15R2.18471 O=CCOc1cccc2c1nccc2 34a_100000056035_200009817547 [1,0,0,0,0,0|1,0,0]=2 414 B15R2.18471 O=CCOc1cccc2c1nccn2 34a_100000077048_200009817547 [1,0,0,0,0,0|2,0,0]=3 415 B15R2.18471 O=CCOc1cccc2c1ncnc2 34a_200000077003_200009817547 [1,0,0,0,0,0|2,0,0]=3 416 B15R2.18471 O=CCOc1cncc2c1cccc2 34a_100000066178_200009817547 [1,0,0,0,0,0|1,0,0]=2 417 B15R2.18471 O=CCOc1cncc2c1cccc2 7a_100000066178_200015260668 [1,0,0,0,0,0|1,0,0]=2 418 B15R2.18471 O=CCOc1nccc2c1cccc2 34a_102531767632_200009817547 [1,0,0,0,0,0|1,0,0]=2 419 B15R2.18471 O=CCSc1cccc2c1cccc2 62a_200015260668_100000210605 [1,0,0,0,0,0|0,1,0]=2 420 B15R2.18471 O=CCSc1cccc2c1cccn2 62a_100011290932_200015260668 [1,0,0,0,0,0|1,1,0]=3 421 B15R2.18471 O=CCSc1cccc2c1cccn2 62a_200015260668_100011290932 [1,0,0,0,0,0|1,1,0]=3 422 B15R2.18471 O=CCSc1cccc2c1ccnc2 62a_100000186358_200015260668 [1,0,0,0,0,0|1,1,0]=3 423 B15R2.18471 O=CCSc1cccc2c1ccnc2 62a_200015260668_100000186358 [1,0,0,0,0,0|1,1,0]=3 424 B15R2.18471 O=CCSc1cccc2c1cncc2 62a_100000685578_200015260668 [1,0,0,0,0,0|1,1,0]=3 425 B15R2.18471 O=CCSc1cccc2c1cncc2 62a_200015260668_100000685578 [1,0,0,0,0,0|1,1,0]=3 426 B15R2.18471 O=CCSc1cccc2c1cncn2 62a_100009814520_200015260668 [1,0,0,0,0,0|2,1,0]=4 427 B15R2.18471 O=CCSc1cccc2c1cncn2 62a_200015260668_100009814520 [1,0,0,0,0,0|2,1,0]=4 428 B15R2.18471 O=CCSc1cccc2c1nccc2 62a_200015260668_100011215545 [1,0,0,0,0,0|1,1,0]=3 429 B15R2.18471 O=CCSc1cccc2c1nccn2 62a_100010003881_200015260668 [1,0,0,0,0,0|2,1,0]=4 430 B15R2.18471 O=CCSc1cccc2c1nccn2 62a_200015260668_100010003881 [1,0,0,0,0,0|2,1,0]=4 431 B15R2.18471 O=CCSc1cccc2c1ncnc2 62a_100010246313_200015260668 [1,0,0,0,0,0|2,1,0]=4 432 B15R2.18471 O=CCSc1cccc2c1ncnc2 62a_200015260668_100010246313 [1,0,0,0,0,0|2,1,0]=4 433 B15R2.18471 O=CCSc1ccnc2c1cccc2 62a_100011458314_200015260668 [1,0,0,0,0,0|1,1,0]=3 434 B15R2.18471 O=CCSc1ccnc2c1cccc2 62a_200015260668_100011215880 [1,0,0,0,0,0|1,1,0]=3 435 B15R2.18471 O=CCSc1ccnc2c1cccn2 62a_100000087570_200015260668 [1,0,0,0,0,0|2,1,0]=4 436 B15R2.18471 O=CCSc1ccnc2c1cccn2 62a_200015260668_100000087570 [1,0,0,0,0,0|2,1,0]=4 437 B15R2.18471 O=CCSc1ccnc2c1cncc2 62a_100000095135_200015260668 [1,0,0,0,0,0|2,1,0]=4 438 B15R2.18471 O=CCSc1ccnc2c1cncc2 62a_200015260668_100000095135 [1,0,0,0,0,0|2,1,0]=4 439 B15R2.18471 O=CCSc1cncc2c1cccc2 62a_100000187577_200015260668 [1,0,0,0,0,0|1,1,0]=3 440 B15R2.18471 O=CCSc1cncc2c1cccc2 62a_200015260668_100000187577 [1,0,0,0,0,0|1,1,0]=3 441 B15R2.18471 O=CCSc1cncc2c1cccn2 62a_100010211308_200015260668 [1,0,0,0,0,0|2,1,0]=4 442 B15R2.18471 O=CCSc1cncc2c1cccn2 62a_200015260668_100010211308 [1,0,0,0,0,0|2,1,0]=4 443 B15R2.18471 O=CCSc1cncc2c1ccnc2 62a_100010134378_200015260668 [1,0,0,0,0,0|2,1,0]=4 444 B15R2.18471 O=CCSc1cncc2c1ccnc2 62a_200015260668_100010134378 [1,0,0,0,0,0|2,1,0]=4 445 B15R2.18471 O=CCSc1cnnc2c1cccc2 62a_200015260668_100000063506 [1,0,0,0,0,0|2,1,0]=4 446 B15R2.18471 O=CCSc1nccc2c1cccc2 62a_100011934041_200015260668 [1,0,0,0,0,0|1,1,0]=3 447 B15R2.18471 O=CCSc1nccc2c1cccc2 62a_200015260668_100011934041 [1,0,0,0,0,0|1,1,0]=3 448 B15R2.18471 O=CCSc1nccc2c1cccn2 62a_200015260668_100000077681 [1,0,0,0,0,0|2,1,0]=4 449 B15R2.18471 O=CCSc1nccc2c1cncc2 62a_200010063730_200015260668 [1,0,0,0,0,0|2,1,0]=4 450 B15R2.18471 O=CCSc1nccc2c1cncc2 62a_200015260668_100000116921 [1,0,0,0,0,0|2,1,0]=4 451 B15R2.18471 O=CCSc1nccc2c1nccc2 62a_200015260668_100010063729 [1,0,0,0,0,0|2,1,0]=4 452 B15R2.18471 O=CCSc1ncnc2c1cccc2 62a_100000753007_200015260668 [1,0,0,0,0,0|2,1,0]=4 453 B15R2.18471 O=CCSc1ncnc2c1cccc2 62a_200015260668_100000217608 [1,0,0,0,0,0|2,1,0]=4 454 B15R2.18471 O=CCSc1nncc2c1cccc2 62a_200015260668_100025712358 [1,0,0,0,0,0|2,1,0]=4 455 B15R2.18471 OCCNc1cccc2c1cccc2 34a_100000185869_100000211926 [1,0,0,0,0,0|1,0,1]=3 456 B15R2.18471 OCCNc1cccc2c1cccn2 27a_100000210304_100011290932 [1,0,0,0,0,0|2,0,1]=4 457 B15R2.18471 OCCNc1cccc2c1cccn2 34a_100000183906_100000211926 [1,0,0,0,0,0|2,0,1]=4 458 B15R2.18471 OCCNc1cccc2c1nccc2 34a_100000181377_100000211926 [1,0,0,0,0,0|2,0,1]=4 459 B15R2.18471 OCCNc1ccnc2c1cccc2 27a_100000210304_100011215880 [1,0,0,0,0,0|2,0,1]=4 460 B15R2.18471 OCCNc1nccc2c1cccc2 27a_100000210304_100011934041 [1,0,0,0,0,0|2,0,1]=4 461 B15R2.18471 OCCOc1cccc2c1CC=CC2 34a_100000074931_100000211926 [1,0,0,0,0,0|0,0,3]=4 462 B15R2.18471 OCCOc1cccc2c1CC=CC2 7a_100000074931_100000211926 [1,0,0,0,0,0|0,0,3]=4 463 B15R2.18471 OCCOc1cccc2c1cccc2 34a_100000210388_100000211926 [1,0,0,0,0,0|0,0,1]=2 464 B15R2.18471 OCCOc1cccc2c1cccc2 7a_100000210388_100000211926 [1,0,0,0,0,0|0,0,1]=2 465 B15R2.18471 OCCOc1cccc2c1cccn2 34a_100011197808_100000211926 [1,0,0,0,0,0|1,0,1]=3 466 B15R2.18471 OCCOc1cccc2c1ccnc2 34a_100011218533_100000211926 [1,0,0,0,0,0|1,0,1]=3 467 B15R2.18471 OCCOc1cccc2c1cncc2 34a_103624766955_100000211926 [1,0,0,0,0,0|1,0,1]=3 468 B15R2.18471 OCCOc1cccc2c1nccc2 34a_100000056035_100000211926 [1,0,0,0,0,0|1,0,1]=3 469 B15R2.18471 OCCOc1cccc2c1nccn2 34a_100000077048_100000211926 [1,0,0,0,0,0|2,0,1]=4 470 B15R2.18471 OCCOc1cccc2c1ncnc2 34a_200000077003_100000211926 [1,0,0,0,0,0|2,0,1]=4 471 B15R2.18471 OCCOc1cncc2c1cccc2 34a_100000066178_100000211926 [1,0,0,0,0,0|1,0,1]=3 472 B15R2.18471 OCCOc1cncc2c1cccc2 7a_100000066178_100000211926 [1,0,0,0,0,0|1,0,1]=3 473 B15R2.18471 OCCOc1nccc2c1cccc2 34a_102531767632_100000211926 [1,0,0,0,0,0|1,0,1]=3 474 B15R2.18471 OCCSc1cccc2c1cccc2 62a_100000211926_100000210605 [1,0,0,0,0,0|0,1,1]=3 475 B15R2.18471 OCCSc1cccc2c1cccn2 62a_100000211926_100011290932 [1,0,0,0,0,0|1,1,1]=4 476 B15R2.18471 OCCSc1cccc2c1cccn2 62a_100011290932_100000211926 [1,0,0,0,0,0|1,1,1]=4 477 B15R2.18471 OCCSc1cccc2c1ccnc2 62a_100000186358_100000211926 [1,0,0,0,0,0|1,1,1]=4 478 B15R2.18471 OCCSc1cccc2c1ccnc2 62a_100000211926_100000186358 [1,0,0,0,0,0|1,1,1]=4 479 B15R2.18471 OCCSc1cccc2c1cncc2 62a_100000211926_100000685578 [1,0,0,0,0,0|1,1,1]=4 480 B15R2.18471 OCCSc1cccc2c1cncc2 62a_100000685578_100000211926 [1,0,0,0,0,0|1,1,1]=4 481 B15R2.18471 OCCSc1cccc2c1nccc2 62a_100000211926_100011215545 [1,0,0,0,0,0|1,1,1]=4 482 B15R2.18471 OCCSc1ccnc2c1cccc2 62a_100000211926_100011215880 [1,0,0,0,0,0|1,1,1]=4 483 B15R2.18471 OCCSc1ccnc2c1cccc2 62a_100011458314_100000211926 [1,0,0,0,0,0|1,1,1]=4 484 B15R2.18471 OCCSc1cncc2c1cccc2 62a_100000187577_100000211926 [1,0,0,0,0,0|1,1,1]=4 485 B15R2.18471 OCCSc1cncc2c1cccc2 62a_100000211926_100000187577 [1,0,0,0,0,0|1,1,1]=4 486 B15R2.18471 OCCSc1nccc2c1cccc2 62a_100000211926_100011934041 [1,0,0,0,0,0|1,1,1]=4 487 B15R2.18471 OCCSc1nccc2c1cccc2 62a_100011934041_100000211926 [1,0,0,0,0,0|1,1,1]=4 488 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 2230a_100000751862_200025704644 [1,0,0,0,0,0|3,0,0]=4 489 B15R2.18471 [13CH3]NCCc1cccc2c1cccc2 34a_100000751862_200025704644 [1,0,0,0,0,0|3,0,0]=4 490 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 34a_100011219628_200025704644 [1,0,0,0,0,0|3,0,0]=4 491 B15R2.18471 [13CH3]OCCc1cccc2c1cccc2 7a_100011219628_200025704644 [1,0,0,0,0,0|3,0,0]=4 492 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_100011290781_200025704644 [1,0,0,0,0,0|3,0,0]=4 493 B15R2.18471 [13CH3]SCCc1cccc2c1cccc2 62a_200025704644_100011290781 [1,0,0,0,0,0|3,0,0]=4 494 B17R2.3462 C=C(C)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000748629 [0,1,0,0,0,0|3,0,0]=4 495 B17R2.3462 C=C(C)CNc1cccc2c1ccc(c2)O 34a_100000034668_100000748629 [0,1,0,0,0,0|3,0,0]=4 496 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000748629 [0,1,0,0,0,0|2,0,0]=3 497 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000748629 [0,1,0,0,0,0|2,0,0]=3 498 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)F 34a_100009846233_100000748629 [0,1,0,0,0,0|2,0,0]=3 499 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)F 7a_100009846233_100000748629 [0,1,0,0,0,0|2,0,0]=3 500 B17R2.3462 C=C(C)COc1cccc2c1ccc(c2)N 34a_100000035793_100000748629 [0,1,0,0,0,0|2,0,0]=3 501 B17R2.3462 C=C(C)COc1cccc2c1ncc(c2)C 34a_100000144662_100000748629 [0,1,0,0,0,0|3,0,0]=4 502 B17R2.3462 C=C(C)COc1cccc2c1ncc(c2)C 7a_100000144662_100000748629 [0,1,0,0,0,0|3,0,0]=4 503 B17R2.3462 C=C(C)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100000748629 [0,1,0,0,0,0|3,0,0]=4 504 B17R2.3462 C=C(C)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100000748629 [0,1,0,0,0,0|3,0,0]=4 505 B17R2.3462 C=C(C)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000748629 [0,1,0,0,0,0|3,0,0]=4 506 B17R2.3462 C=C(C)COc1ccnc2c1ccc(c2)F 34a_100000004115_100000748629 [0,1,0,0,0,0|3,0,0]=4 507 B17R2.3462 C=C(C)COc1nccc2c1ccc(c2)Br 34a_100000760485_100000748629 [0,1,0,0,0,0|3,0,0]=4 508 B17R2.3462 C=C(F)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100009893438 [0,1,0,0,0,0|3,0,0]=4 509 B17R2.3462 C=C(F)CNc1cccc2c1ccc(c2)O 34a_100000034668_100009893438 [0,1,0,0,0,0|3,0,0]=4 510 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)Br 34a_100010202202_100009893438 [0,1,0,0,0,0|2,0,0]=3 511 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000042424 [0,1,0,0,0,0|2,0,0]=3 512 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)F 34a_100009846233_100009893438 [0,1,0,0,0,0|2,0,0]=3 513 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)F 7a_100009846233_100000042424 [0,1,0,0,0,0|2,0,0]=3 514 B17R2.3462 C=C(F)COc1cccc2c1ccc(c2)N 34a_100000035793_100009893438 [0,1,0,0,0,0|2,0,0]=3 515 B17R2.3462 C=C(F)COc1cccc2c1ncc(c2)C 34a_100000144662_100009893438 [0,1,0,0,0,0|3,0,0]=4 516 B17R2.3462 C=C(F)COc1cccc2c1ncc(c2)C 7a_100000144662_100000042424 [0,1,0,0,0,0|3,0,0]=4 517 B17R2.3462 C=C(F)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100009893438 [0,1,0,0,0,0|3,0,0]=4 518 B17R2.3462 C=C(F)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100000042424 [0,1,0,0,0,0|3,0,0]=4 519 B17R2.3462 C=C(F)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100009893438 [0,1,0,0,0,0|3,0,0]=4 520 B17R2.3462 C=C(F)COc1ccnc2c1ccc(c2)F 34a_100000004115_100009893438 [0,1,0,0,0,0|3,0,0]=4 521 B17R2.3462 C=C(F)COc1nccc2c1ccc(c2)Br 34a_100000760485_100009893438 [0,1,0,0,0,0|3,0,0]=4 522 B17R2.3462 CC(=O)CSc1ccnc2c1ccc(c2)Cl 1458a_100000156280_200000210301 [0,1,0,0,0,0|2,1,0]=4 523 B17R2.3462 CC(C)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000210624 [0,1,0,0,0,0|2,0,1]=4 524 B17R2.3462 CC(C)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000210760 [0,1,0,0,0,0|2,0,1]=4 525 B17R2.3462 CC(C)COc1cccc2c1ccc(c2)F 34a_100009846233_100000210624 [0,1,0,0,0,0|2,0,1]=4 526 B17R2.3462 CC(C)COc1cccc2c1ccc(c2)F 7a_100009846233_100000210760 [0,1,0,0,0,0|2,0,1]=4 527 B17R2.3462 CC(C)COc1cccc2c1ccc(c2)N 34a_100000035793_100000210624 [0,1,0,0,0,0|2,0,1]=4 528 B17R2.3462 CC(O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100011218427 [0,1,0,0,0,0|2,0,1]=4 529 B17R2.3462 CC(O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100011218427 [0,1,0,0,0,0|2,0,1]=4 530 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100011218427 [0,1,0,0,0,0|1,0,1]=3 531 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100011218427 [0,1,0,0,0,0|1,0,1]=3 532 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)F 34a_100009846233_100011218427 [0,1,0,0,0,0|1,0,1]=3 533 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)F 7a_100009846233_100011218427 [0,1,0,0,0,0|1,0,1]=3 534 B17R2.3462 CC(O)COc1cccc2c1ccc(c2)N 34a_100000035793_100011218427 [0,1,0,0,0,0|1,0,1]=3 535 B17R2.3462 CC(O)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100011218427 [0,1,0,0,0,0|2,0,1]=4 536 B17R2.3462 CC(O)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100011218427 [0,1,0,0,0,0|2,0,1]=4 537 B17R2.3462 CC(O)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100011218427 [0,1,0,0,0,0|2,0,1]=4 538 B17R2.3462 CC(O)COc1ccnc2c1ccc(c2)F 34a_100000004115_100011218427 [0,1,0,0,0,0|2,0,1]=4 539 B17R2.3462 CC(O)COc1nccc2c1ccc(c2)Br 34a_100000760485_100011218427 [0,1,0,0,0,0|2,0,1]=4 540 B17R2.3462 C[C@@H](O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100009817552 [0,1,0,0,0,0|2,0,1]=4 541 B17R2.3462 C[C@@H](O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100009817552 [0,1,0,0,0,0|2,0,1]=4 542 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100009817552 [0,1,0,0,0,0|1,0,1]=3 543 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100009817552 [0,1,0,0,0,0|1,0,1]=3 544 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)F 34a_100009846233_100009817552 [0,1,0,0,0,0|1,0,1]=3 545 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)F 7a_100009846233_100009817552 [0,1,0,0,0,0|1,0,1]=3 546 B17R2.3462 C[C@@H](O)COc1cccc2c1ccc(c2)N 34a_100000035793_100009817552 [0,1,0,0,0,0|1,0,1]=3 547 B17R2.3462 C[C@@H](O)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100009817552 [0,1,0,0,0,0|2,0,1]=4 548 B17R2.3462 C[C@@H](O)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100009817552 [0,1,0,0,0,0|2,0,1]=4 549 B17R2.3462 C[C@@H](O)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100009817552 [0,1,0,0,0,0|2,0,1]=4 550 B17R2.3462 C[C@@H](O)COc1ccnc2c1ccc(c2)F 34a_100000004115_100009817552 [0,1,0,0,0,0|2,0,1]=4 551 B17R2.3462 C[C@@H](O)COc1nccc2c1ccc(c2)Br 34a_100000760485_100009817552 [0,1,0,0,0,0|2,0,1]=4 552 B17R2.3462 Cc1ccc2c(cccc2n1)NCC(=O)N 34a_106741707140_100000187820 [0,1,0,0,0,0|3,0,0]=4 553 B17R2.3462 Cc1ccc2c(cccc2n1)NCC(=O)[O-] 34a_106741707140_100020667443 [0,1,0,0,0,0|2,0,1]=4 554 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)N 62a_100000747473_100010173736 [0,1,0,0,0,0|2,1,0]=4 555 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)N 62a_100010173736_100000747473 [0,1,0,0,0,0|2,1,0]=4 556 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)[O-] 62a_100010173736_100020667443 [0,1,0,0,0,0|1,1,1]=4 557 B17R2.3462 Cc1ccc2c(cccc2n1)SCC(=O)[O-] 62a_100020667443_100010173736 [0,1,0,0,0,0|1,1,1]=4 558 B17R2.3462 Cc1ccc2c(nccc2c1)SCC(=O)N 62a_100000747473_100000102439 [0,1,0,0,0,0|2,1,0]=4 559 B17R2.3462 Cc1ccc2c(nccc2c1)SCC(=O)[O-] 62a_100020667443_100000102439 [0,1,0,0,0,0|1,1,1]=4 560 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(=O)N 34a_100000144662_100000187820 [0,1,0,0,0,0|2,0,0]=3 561 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(=O)N 7a_100000144662_100000187820 [0,1,0,0,0,0|2,0,0]=3 562 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(=O)[O-] 34a_100000144662_100020667443 [0,1,0,0,0,0|1,0,1]=3 563 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(C)O 34a_100000144662_100011218427 [0,1,0,0,0,0|2,0,1]=4 564 B17R2.3462 Cc1cnc2c(cccc2c1)OCC(C)O 7a_100000144662_100011218427 [0,1,0,0,0,0|2,0,1]=4 565 B17R2.3462 Cc1cnc2c(cccc2c1)OC[C@@H](C)O 34a_100000144662_100009817552 [0,1,0,0,0,0|2,0,1]=4 566 B17R2.3462 Cc1cnc2c(cccc2c1)OC[C@@H](C)O 7a_100000144662_100009817552 [0,1,0,0,0,0|2,0,1]=4 567 B17R2.3462 Cc1cnc2c(cccc2c1)OC[N+](=O)[O-] 34a_100000144662_100000761209 [0,1,0,0,0,0|2,0,1]=4 568 B17R2.3462 FC(F)COc1cccc2c1ccc(c2)Br 34a_100010202202_100011934356 [0,1,0,0,0,0|2,0,1]=4 569 B17R2.3462 FC(F)COc1cccc2c1ccc(c2)Br 7a_100010202202_100011934356 [0,1,0,0,0,0|2,0,1]=4 570 B17R2.3462 Fc1ccc2c(cccc2c1)OCC(F)F 34a_100009846233_100011934356 [0,1,0,0,0,0|2,0,1]=4 571 B17R2.3462 Fc1ccc2c(cccc2c1)OCC(F)F 7a_100009846233_100011934356 [0,1,0,0,0,0|2,0,1]=4 572 B17R2.3462 NC(=O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000187820 [0,1,0,0,0,0|2,0,0]=3 573 B17R2.3462 NC(=O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100000187820 [0,1,0,0,0,0|2,0,0]=3 574 B17R2.3462 NC(=O)CNc1cccc2c1ncc(c2)Br 34a_100000702407_100000187820 [0,1,0,0,0,0|3,0,0]=4 575 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000187820 [0,1,0,0,0,0|1,0,0]=2 576 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000187820 [0,1,0,0,0,0|1,0,0]=2 577 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)F 34a_100009846233_100000187820 [0,1,0,0,0,0|1,0,0]=2 578 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)F 7a_100009846233_100000187820 [0,1,0,0,0,0|1,0,0]=2 579 B17R2.3462 NC(=O)COc1cccc2c1ccc(c2)N 34a_100000035793_100000187820 [0,1,0,0,0,0|1,0,0]=2 580 B17R2.3462 NC(=O)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100000187820 [0,1,0,0,0,0|2,0,0]=3 581 B17R2.3462 NC(=O)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100000187820 [0,1,0,0,0,0|2,0,0]=3 582 B17R2.3462 NC(=O)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000187820 [0,1,0,0,0,0|2,0,0]=3 583 B17R2.3462 NC(=O)COc1ccnc2c1ccc(c2)F 34a_100000004115_100000187820 [0,1,0,0,0,0|2,0,0]=3 584 B17R2.3462 NC(=O)COc1nccc2c1ccc(c2)Br 34a_100000760485_100000187820 [0,1,0,0,0,0|2,0,0]=3 585 B17R2.3462 NC(=O)COc1nccc2c1ncc(c2)Br 34a_100010117065_100000187820 [0,1,0,0,0,0|3,0,0]=4 586 B17R2.3462 NC(=O)CSc1cccc2c1cc[n+](c2)[O-] 62a_100000747473_200010126733 [0,1,0,0,0,0|2,1,0]=4 587 B17R2.3462 NC(=O)CSc1cccc2c1ccc(=O)[nH]2 62a_100000747473_100000726145 [0,1,0,0,0,0|2,1,0]=4 588 B17R2.3462 NC(=O)CSc1cccc2c1ccc(n2)N 62a_100000723655_100000747473 [0,1,0,0,0,0|2,1,0]=4 589 B17R2.3462 NC(=O)CSc1cccc2c1cnc(c2)N 62a_100000747473_100010201637 [0,1,0,0,0,0|2,1,0]=4 590 B17R2.3462 NC(=O)CSc1cccc2c1cnc(c2)N 62a_100010201637_100000747473 [0,1,0,0,0,0|2,1,0]=4 591 B17R2.3462 NC(=O)CSc1cccc2c1cnc(c2)O 62a_100000747473_100009817091 [0,1,0,0,0,0|2,1,0]=4 592 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)Cl 62a_100000747473_100012352046 [0,1,0,0,0,0|2,1,0]=4 593 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)Cl 62a_100012352046_100000747473 [0,1,0,0,0,0|2,1,0]=4 594 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)F 62a_100000747473_100000755548 [0,1,0,0,0,0|2,1,0]=4 595 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)F 62a_100000755548_100000747473 [0,1,0,0,0,0|2,1,0]=4 596 B17R2.3462 NC(=O)CSc1ccnc2c1ccc(c2)O 62a_100000747473_100000045489 [0,1,0,0,0,0|2,1,0]=4 597 B17R2.3462 NC(=O)CSc1nccc2c1ccc(c2)F 62a_100000747473_100000097391 [0,1,0,0,0,0|2,1,0]=4 598 B17R2.3462 NC(=O)CSc1nccc2c1ccc(c2)O 62a_100000747473_100009867704 [0,1,0,0,0,0|2,1,0]=4 599 B17R2.3462 Nc1cc2cccc(c2cn1)SCC(=O)[O-] 62a_100010201637_100020667443 [0,1,0,0,0,0|1,1,1]=4 600 B17R2.3462 Nc1cc2cccc(c2cn1)SCC(=O)[O-] 62a_100020667443_100010201637 [0,1,0,0,0,0|1,1,1]=4 601 B17R2.3462 Nc1ccc2c(cccc2c1)OCC(=O)[O-] 34a_100000035793_100020667443 [0,1,0,0,0,0|0,0,1]=2 602 B17R2.3462 Nc1ccc2c(cccc2c1)OCC(F)F 34a_100000035793_100011934356 [0,1,0,0,0,0|2,0,1]=4 603 B17R2.3462 Nc1ccc2c(cccc2c1)OC[N+](=O)[O-] 34a_100000035793_100000761209 [0,1,0,0,0,0|1,0,1]=3 604 B17R2.3462 Nc1ccc2c(cccc2n1)SCC(=O)[O-] 62a_100000723655_100020667443 [0,1,0,0,0,0|1,1,1]=4 605 B17R2.3462 O=C([O-])CNc1cccc2c1ccc(c2)Br 34a_100010090037_100020667443 [0,1,0,0,0,0|1,0,1]=3 606 B17R2.3462 O=C([O-])CNc1cccc2c1ccc(c2)O 34a_100000034668_100020667443 [0,1,0,0,0,0|1,0,1]=3 607 B17R2.3462 O=C([O-])CNc1cccc2c1ncc(c2)Br 34a_100000702407_100020667443 [0,1,0,0,0,0|2,0,1]=4 608 B17R2.3462 O=C([O-])COc1cccc2c1ccc(c2)Br 34a_100010202202_100020667443 [0,1,0,0,0,0|0,0,1]=2 609 B17R2.3462 O=C([O-])COc1cccc2c1ccc(c2)F 34a_100009846233_100020667443 [0,1,0,0,0,0|0,0,1]=2 610 B17R2.3462 O=C([O-])COc1cccc2c1ncc(c2)Cl 34a_100009858588_100020667443 [0,1,0,0,0,0|1,0,1]=3 611 B17R2.3462 O=C([O-])COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100020667443 [0,1,0,0,0,0|1,0,1]=3 612 B17R2.3462 O=C([O-])COc1ccnc2c1ccc(c2)F 34a_100000004115_100020667443 [0,1,0,0,0,0|1,0,1]=3 613 B17R2.3462 O=C([O-])COc1nccc2c1ccc(c2)Br 34a_100000760485_100020667443 [0,1,0,0,0,0|1,0,1]=3 614 B17R2.3462 O=C([O-])COc1nccc2c1ncc(c2)Br 34a_100010117065_100020667443 [0,1,0,0,0,0|2,0,1]=4 615 B17R2.3462 O=C([O-])CSc1cccc2c1cc[n+](c2)[O-] 62a_100020667443_200010126733 [0,1,0,0,0,0|1,1,1]=4 616 B17R2.3462 O=C([O-])CSc1cccc2c1ccc(=O)[nH]2 62a_100020667443_100000726145 [0,1,0,0,0,0|1,1,1]=4 617 B17R2.3462 O=C([O-])CSc1cccc2c1cnc(c2)O 62a_100020667443_100009817091 [0,1,0,0,0,0|1,1,1]=4 618 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)Cl 62a_100012352046_100020667443 [0,1,0,0,0,0|1,1,1]=4 619 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)Cl 62a_100020667443_100012352046 [0,1,0,0,0,0|1,1,1]=4 620 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)F 62a_100000755548_100020667443 [0,1,0,0,0,0|1,1,1]=4 621 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)F 62a_100020667443_100000755548 [0,1,0,0,0,0|1,1,1]=4 622 B17R2.3462 O=C([O-])CSc1ccnc2c1ccc(c2)O 62a_100020667443_100000045489 [0,1,0,0,0,0|1,1,1]=4 623 B17R2.3462 O=C([O-])CSc1nccc2c1ccc(c2)F 62a_100020667443_100000097391 [0,1,0,0,0,0|1,1,1]=4 624 B17R2.3462 O=C([O-])CSc1nccc2c1ccc(c2)O 62a_100020667443_100009867704 [0,1,0,0,0,0|1,1,1]=4 625 B17R2.3462 O=[N+]([O-])CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000761209 [0,1,0,0,0,0|2,0,1]=4 626 B17R2.3462 O=[N+]([O-])CNc1cccc2c1ccc(c2)O 34a_100000034668_100000761209 [0,1,0,0,0,0|2,0,1]=4 627 B17R2.3462 O=[N+]([O-])COc1cccc2c1ccc(c2)Br 34a_100010202202_100000761209 [0,1,0,0,0,0|1,0,1]=3 628 B17R2.3462 O=[N+]([O-])COc1cccc2c1ccc(c2)F 34a_100009846233_100000761209 [0,1,0,0,0,0|1,0,1]=3 629 B17R2.3462 O=[N+]([O-])COc1cccc2c1ncc(c2)Cl 34a_100009858588_100000761209 [0,1,0,0,0,0|2,0,1]=4 630 B17R2.3462 O=[N+]([O-])COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000761209 [0,1,0,0,0,0|2,0,1]=4 631 B17R2.3462 O=[N+]([O-])COc1ccnc2c1ccc(c2)F 34a_100000004115_100000761209 [0,1,0,0,0,0|2,0,1]=4 632 B17R2.3462 O=[N+]([O-])COc1nccc2c1ccc(c2)Br 34a_100000760485_100000761209 [0,1,0,0,0,0|2,0,1]=4 633 B17R2.3462 [13CH3]C(=O)CSc1ccnc2c1ccc(c2)Cl 1458a_100000156280_200025704644 [0,1,0,0,0,0|2,1,0]=4 634 B17R2.5014 C=C(C)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000748629 [0,1,0,0,0,0|3,0,0]=4 635 B17R2.5014 C=C(C)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000748629 [0,1,0,0,0,0|2,0,0]=3 636 B17R2.5014 C=C(C)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000748629 [0,1,0,0,0,0|2,0,0]=3 637 B17R2.5014 C=C(C)COc1cc(cc2c1nccc2)Br 34a_100010248853_100000748629 [0,1,0,0,0,0|3,0,0]=4 638 B17R2.5014 C=C(C)COc1cc(cc2c1nccc2)Br 7a_100010248853_100000748629 [0,1,0,0,0,0|3,0,0]=4 639 B17R2.5014 C=C(C)COc1cc(cc2c1nccc2)C 34a_100009888445_100000748629 [0,1,0,0,0,0|3,0,0]=4 640 B17R2.5014 C=C(C)COc1cc(cc2c1nccc2)C 7a_100009888445_100000748629 [0,1,0,0,0,0|3,0,0]=4 641 B17R2.5014 C=C(C)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100000748629 [0,1,0,0,0,0|3,0,0]=4 642 B17R2.5014 C=C(C)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100000748629 [0,1,0,0,0,0|3,0,0]=4 643 B17R2.5014 C=C(C)COc1cc(nc2c1cccc2)C 34a_100000698765_100000748629 [0,1,0,0,0,0|3,0,0]=4 644 B17R2.5014 C=C(C)CSc1cc(cc2c1cccc2)N 62a_100000748629_100010089974 [0,1,0,0,0,0|2,1,0]=4 645 B17R2.5014 C=C(C)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000211660 [0,1,0,0,0,0|2,1,0]=4 646 B17R2.5014 C=C(C)CSc1cc(cc2c1cccc2)O 62a_100000748629_100010001680 [0,1,0,0,0,0|2,1,0]=4 647 B17R2.5014 C=C(F)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100009893438 [0,1,0,0,0,0|3,0,0]=4 648 B17R2.5014 C=C(F)COc1cc(cc2c1cccc2)Br 34a_100010089979_100009893438 [0,1,0,0,0,0|2,0,0]=3 649 B17R2.5014 C=C(F)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000042424 [0,1,0,0,0,0|2,0,0]=3 650 B17R2.5014 C=C(F)COc1cc(cc2c1nccc2)Br 34a_100010248853_100009893438 [0,1,0,0,0,0|3,0,0]=4 651 B17R2.5014 C=C(F)COc1cc(cc2c1nccc2)Br 7a_100010248853_100000042424 [0,1,0,0,0,0|3,0,0]=4 652 B17R2.5014 C=C(F)COc1cc(cc2c1nccc2)C 34a_100009888445_100009893438 [0,1,0,0,0,0|3,0,0]=4 653 B17R2.5014 C=C(F)COc1cc(cc2c1nccc2)C 7a_100009888445_100000042424 [0,1,0,0,0,0|3,0,0]=4 654 B17R2.5014 C=C(F)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100009893438 [0,1,0,0,0,0|3,0,0]=4 655 B17R2.5014 C=C(F)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100000042424 [0,1,0,0,0,0|3,0,0]=4 656 B17R2.5014 C=C(F)COc1cc(nc2c1cccc2)C 34a_100000698765_100009893438 [0,1,0,0,0,0|3,0,0]=4 657 B17R2.5014 C=C(F)CSc1cc(cc2c1cccc2)N 62a_100000042424_100010089974 [0,1,0,0,0,0|2,1,0]=4 658 B17R2.5014 C=C(F)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000042424 [0,1,0,0,0,0|2,1,0]=4 659 B17R2.5014 C=C(F)CSc1cc(cc2c1cccc2)O 62a_100000042424_100010001680 [0,1,0,0,0,0|2,1,0]=4 660 B17R2.5014 CC(C)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000210624 [0,1,0,0,0,0|2,0,1]=4 661 B17R2.5014 CC(C)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000210760 [0,1,0,0,0,0|2,0,1]=4 662 B17R2.5014 CC(O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100011218427 [0,1,0,0,0,0|2,0,1]=4 663 B17R2.5014 CC(O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100011218427 [0,1,0,0,0,0|1,0,1]=3 664 B17R2.5014 CC(O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100011218427 [0,1,0,0,0,0|1,0,1]=3 665 B17R2.5014 CC(O)COc1cc(cc2c1nccc2)Br 34a_100010248853_100011218427 [0,1,0,0,0,0|2,0,1]=4 666 B17R2.5014 CC(O)COc1cc(cc2c1nccc2)Br 7a_100010248853_100011218427 [0,1,0,0,0,0|2,0,1]=4 667 B17R2.5014 CC(O)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100011218427 [0,1,0,0,0,0|2,0,1]=4 668 B17R2.5014 CC(O)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100011218427 [0,1,0,0,0,0|2,0,1]=4 669 B17R2.5014 CC(O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100011218427 [0,1,0,0,0,0|1,1,1]=4 670 B17R2.5014 CC(O)CSc1cc(cc2c1cccc2)N 62a_100011218427_100010089974 [0,1,0,0,0,0|1,1,1]=4 671 B17R2.5014 CC(O)CSc1cc(cc2c1cccc2)O 62a_100011218427_100010001680 [0,1,0,0,0,0|1,1,1]=4 672 B17R2.5014 C[C@@H](O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100009817552 [0,1,0,0,0,0|2,0,1]=4 673 B17R2.5014 C[C@@H](O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100009817552 [0,1,0,0,0,0|1,0,1]=3 674 B17R2.5014 C[C@@H](O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100009817552 [0,1,0,0,0,0|1,0,1]=3 675 B17R2.5014 C[C@@H](O)COc1cc(cc2c1nccc2)Br 34a_100010248853_100009817552 [0,1,0,0,0,0|2,0,1]=4 676 B17R2.5014 C[C@@H](O)COc1cc(cc2c1nccc2)Br 7a_100010248853_100009817552 [0,1,0,0,0,0|2,0,1]=4 677 B17R2.5014 C[C@@H](O)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100009817552 [0,1,0,0,0,0|2,0,1]=4 678 B17R2.5014 C[C@@H](O)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100009817552 [0,1,0,0,0,0|2,0,1]=4 679 B17R2.5014 C[C@@H](O)CSc1cc(cc2c1cccc2)N 62a_100009817552_100010089974 [0,1,0,0,0,0|1,1,1]=4 680 B17R2.5014 C[C@@H](O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100009817552 [0,1,0,0,0,0|1,1,1]=4 681 B17R2.5014 C[C@@H](O)CSc1cc(cc2c1cccc2)O 62a_100009817552_100010001680 [0,1,0,0,0,0|1,1,1]=4 682 B17R2.5014 Cc1cc(c2ccccc2n1)OCC(=O)N 34a_100000698765_100000187820 [0,1,0,0,0,0|2,0,0]=3 683 B17R2.5014 Cc1cc(c2ccccc2n1)OCC(=O)[O-] 34a_100000698765_100020667443 [0,1,0,0,0,0|1,0,1]=3 684 B17R2.5014 Cc1cc(c2ccccc2n1)OCC(C)O 34a_100000698765_100011218427 [0,1,0,0,0,0|2,0,1]=4 685 B17R2.5014 Cc1cc(c2ccccc2n1)OC[C@@H](C)O 34a_100000698765_100009817552 [0,1,0,0,0,0|2,0,1]=4 686 B17R2.5014 Cc1cc(c2ccccc2n1)OC[N+](=O)[O-] 34a_100000698765_100000761209 [0,1,0,0,0,0|2,0,1]=4 687 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)N 62a_100000747473_100000735862 [0,1,0,0,0,0|2,1,0]=4 688 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)N 62a_100000764982_100000747473 [0,1,0,0,0,0|2,1,0]=4 689 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)[O-] 62a_100000764982_100020667443 [0,1,0,0,0,0|1,1,1]=4 690 B17R2.5014 Cc1cc(c2ccccc2n1)SCC(=O)[O-] 62a_100020667443_100000735862 [0,1,0,0,0,0|1,1,1]=4 691 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(=O)N 34a_100009888445_100000187820 [0,1,0,0,0,0|2,0,0]=3 692 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(=O)N 7a_100009888445_100000187820 [0,1,0,0,0,0|2,0,0]=3 693 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(=O)[O-] 34a_100009888445_100020667443 [0,1,0,0,0,0|1,0,1]=3 694 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(C)O 34a_100009888445_100011218427 [0,1,0,0,0,0|2,0,1]=4 695 B17R2.5014 Cc1cc(c2ncccc2c1)OCC(C)O 7a_100009888445_100011218427 [0,1,0,0,0,0|2,0,1]=4 696 B17R2.5014 Cc1cc(c2ncccc2c1)OC[C@@H](C)O 34a_100009888445_100009817552 [0,1,0,0,0,0|2,0,1]=4 697 B17R2.5014 Cc1cc(c2ncccc2c1)OC[C@@H](C)O 7a_100009888445_100009817552 [0,1,0,0,0,0|2,0,1]=4 698 B17R2.5014 Cc1cc(c2ncccc2c1)OC[N+](=O)[O-] 34a_100009888445_100000761209 [0,1,0,0,0,0|2,0,1]=4 699 B17R2.5014 Cc1cc(c2ncccc2c1)SCC(=O)N 62a_100000747473_100010113427 [0,1,0,0,0,0|2,1,0]=4 700 B17R2.5014 Cc1cc(c2ncccc2c1)SCC(=O)[O-] 62a_100020667443_100010113427 [0,1,0,0,0,0|1,1,1]=4 701 B17R2.5014 Cc1cc2ccccc2c(n1)SCC(=O)N 62a_100000747473_100000698243 [0,1,0,0,0,0|2,1,0]=4 702 B17R2.5014 Cc1cc2ccccc2c(n1)SCC(=O)[O-] 62a_100020667443_100000698243 [0,1,0,0,0,0|1,1,1]=4 703 B17R2.5014 FC(F)COc1cc(cc2c1cccc2)Br 34a_100010089979_100011934356 [0,1,0,0,0,0|2,0,1]=4 704 B17R2.5014 FC(F)COc1cc(cc2c1cccc2)Br 7a_100010089979_100011934356 [0,1,0,0,0,0|2,0,1]=4 705 B17R2.5014 NC(=O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000187820 [0,1,0,0,0,0|2,0,0]=3 706 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)Br 34a_100009814519_100000187820 [0,1,0,0,0,0|3,0,0]=4 707 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)Cl 34a_100000026717_100000187820 [0,1,0,0,0,0|3,0,0]=4 708 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)F 34a_100000088212_100000187820 [0,1,0,0,0,0|3,0,0]=4 709 B17R2.5014 NC(=O)CNc1cc(cc2c1nccc2)O 34a_100000083691_100000187820 [0,1,0,0,0,0|3,0,0]=4 710 B17R2.5014 NC(=O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000187820 [0,1,0,0,0,0|1,0,0]=2 711 B17R2.5014 NC(=O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000187820 [0,1,0,0,0,0|1,0,0]=2 712 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Br 34a_100010248853_100000187820 [0,1,0,0,0,0|2,0,0]=3 713 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Br 7a_100010248853_100000187820 [0,1,0,0,0,0|2,0,0]=3 714 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100000187820 [0,1,0,0,0,0|2,0,0]=3 715 B17R2.5014 NC(=O)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100000187820 [0,1,0,0,0,0|2,0,0]=3 716 B17R2.5014 NC(=O)CSc1c[n+](cc2c1cccc2)[O-] 62a_100000747473_100009995557 [0,1,0,0,0,0|2,1,0]=4 717 B17R2.5014 NC(=O)CSc1cc(=O)[nH]c2c1cccc2 62a_100000747473_100000075698 [0,1,0,0,0,0|2,1,0]=4 718 B17R2.5014 NC(=O)CSc1cc(cc2c1cccc2)N 62a_100000747473_100010089974 [0,1,0,0,0,0|1,1,0]=3 719 B17R2.5014 NC(=O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000747473 [0,1,0,0,0,0|1,1,0]=3 720 B17R2.5014 NC(=O)CSc1cc(cc2c1cccc2)O 62a_100000747473_100010001680 [0,1,0,0,0,0|1,1,0]=3 721 B17R2.5014 NC(=O)CSc1cc(cc2c1cncc2)O 62a_100000747473_100011009069 [0,1,0,0,0,0|2,1,0]=4 722 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)Br 62a_100000747473_100010090713 [0,1,0,0,0,0|2,1,0]=4 723 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)Br 62a_100010090713_100000747473 [0,1,0,0,0,0|2,1,0]=4 724 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)F 62a_100000747473_100010214460 [0,1,0,0,0,0|2,1,0]=4 725 B17R2.5014 NC(=O)CSc1cc(cc2c1nccc2)F 62a_100010214460_100000747473 [0,1,0,0,0,0|2,1,0]=4 726 B17R2.5014 NC(=O)CSc1nc(cc2c1cccc2)N 62a_100000747473_100009814382 [0,1,0,0,0,0|2,1,0]=4 727 B17R2.5014 NC(=O)CSc1nc(cc2c1cccc2)N 62a_100009814382_100000747473 [0,1,0,0,0,0|2,1,0]=4 728 B17R2.5014 Nc1cc(c2ccccc2c1)SCC(=O)[O-] 62a_100010089974_100020667443 [0,1,0,0,0,0|0,1,1]=3 729 B17R2.5014 Nc1cc(c2ccccc2c1)SCC(=O)[O-] 62a_100020667443_100010089974 [0,1,0,0,0,0|0,1,1]=3 730 B17R2.5014 Nc1cc(c2ccccc2c1)SC[N+](=O)[O-] 62a_100010089974_100000761209 [0,1,0,0,0,0|1,1,1]=4 731 B17R2.5014 Nc1cc2ccccc2c(n1)SCC(=O)[O-] 62a_100009814382_100020667443 [0,1,0,0,0,0|1,1,1]=4 732 B17R2.5014 Nc1cc2ccccc2c(n1)SCC(=O)[O-] 62a_100020667443_100009814382 [0,1,0,0,0,0|1,1,1]=4 733 B17R2.5014 O=C([O-])CNc1cc(cc2c1cccc2)Br 34a_100010171453_100020667443 [0,1,0,0,0,0|1,0,1]=3 734 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)Br 34a_100009814519_100020667443 [0,1,0,0,0,0|2,0,1]=4 735 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)Cl 34a_100000026717_100020667443 [0,1,0,0,0,0|2,0,1]=4 736 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)F 34a_100000088212_100020667443 [0,1,0,0,0,0|2,0,1]=4 737 B17R2.5014 O=C([O-])CNc1cc(cc2c1nccc2)O 34a_100000083691_100020667443 [0,1,0,0,0,0|2,0,1]=4 738 B17R2.5014 O=C([O-])COc1cc(cc2c1cccc2)Br 34a_100010089979_100020667443 [0,1,0,0,0,0|0,0,1]=2 739 B17R2.5014 O=C([O-])COc1cc(cc2c1nccc2)Br 34a_100010248853_100020667443 [0,1,0,0,0,0|1,0,1]=3 740 B17R2.5014 O=C([O-])COc1cc(cc2c1nccc2)Cl 34a_200000089624_100020667443 [0,1,0,0,0,0|1,0,1]=3 741 B17R2.5014 O=C([O-])CSc1c[n+](cc2c1cccc2)[O-] 62a_100020667443_100009995557 [0,1,0,0,0,0|1,1,1]=4 742 B17R2.5014 O=C([O-])CSc1cc(=O)[nH]c2c1cccc2 62a_100020667443_100000075698 [0,1,0,0,0,0|1,1,1]=4 743 B17R2.5014 O=C([O-])CSc1cc(cc2c1cccc2)O 62a_100020667443_100010001680 [0,1,0,0,0,0|0,1,1]=3 744 B17R2.5014 O=C([O-])CSc1cc(cc2c1cncc2)O 62a_100020667443_100011009069 [0,1,0,0,0,0|1,1,1]=4 745 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)Br 62a_100010090713_100020667443 [0,1,0,0,0,0|1,1,1]=4 746 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)Br 62a_100020667443_100010090713 [0,1,0,0,0,0|1,1,1]=4 747 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)F 62a_100010214460_100020667443 [0,1,0,0,0,0|1,1,1]=4 748 B17R2.5014 O=C([O-])CSc1cc(cc2c1nccc2)F 62a_100020667443_100010214460 [0,1,0,0,0,0|1,1,1]=4 749 B17R2.5014 O=[N+]([O-])CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000761209 [0,1,0,0,0,0|2,0,1]=4 750 B17R2.5014 O=[N+]([O-])COc1cc(cc2c1cccc2)Br 34a_100010089979_100000761209 [0,1,0,0,0,0|1,0,1]=3 751 B17R2.5014 O=[N+]([O-])COc1cc(cc2c1nccc2)Br 34a_100010248853_100000761209 [0,1,0,0,0,0|2,0,1]=4 752 B17R2.5014 O=[N+]([O-])COc1cc(cc2c1nccc2)Cl 34a_200000089624_100000761209 [0,1,0,0,0,0|2,0,1]=4 753 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000748629 [0,1,0,0,0,0|3,0,0]=4 754 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)C 34a_100000688109_100000748629 [0,1,0,0,0,0|3,0,0]=4 755 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000748629 [0,1,0,0,0,0|3,0,0]=4 756 B17R2.5385 C=C(C)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000748629 [0,1,0,0,0,0|3,0,0]=4 757 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000748629 [0,1,0,0,0,0|2,0,0]=3 758 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000748629 [0,1,0,0,0,0|2,0,0]=3 759 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)C 34a_100000039261_100000748629 [0,1,0,0,0,0|2,0,0]=3 760 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)C 7a_100000039261_100000748629 [0,1,0,0,0,0|2,0,0]=3 761 B17R2.5385 C=C(C)COc1c(ccc2c1cccc2)N 34a_100000007060_100000748629 [0,1,0,0,0,0|2,0,0]=3 762 B17R2.5385 C=C(C)COc1c(ccc2c1nccc2)Br 34a_100009816563_100000748629 [0,1,0,0,0,0|3,0,0]=4 763 B17R2.5385 C=C(C)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100000748629 [0,1,0,0,0,0|3,0,0]=4 764 B17R2.5385 C=C(C)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000748629 [0,1,0,0,0,0|3,0,0]=4 765 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)C 62a_100000748629_100000759710 [0,1,0,0,0,0|2,1,0]=4 766 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)C 62a_100000759710_100000211660 [0,1,0,0,0,0|2,1,0]=4 767 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000211660 [0,1,0,0,0,0|2,1,0]=4 768 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)N 62a_100000748629_100000705303 [0,1,0,0,0,0|2,1,0]=4 769 B17R2.5385 C=C(C)CSc1c(ccc2c1cccc2)O 62a_100000748629_100000183829 [0,1,0,0,0,0|2,1,0]=4 770 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100009893438 [0,1,0,0,0,0|3,0,0]=4 771 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)C 34a_100000688109_100009893438 [0,1,0,0,0,0|3,0,0]=4 772 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100009893438 [0,1,0,0,0,0|3,0,0]=4 773 B17R2.5385 C=C(F)CNc1c(ccc2c1cccc2)O 34a_100000007056_100009893438 [0,1,0,0,0,0|3,0,0]=4 774 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)Br 34a_100009996032_100009893438 [0,1,0,0,0,0|2,0,0]=3 775 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000042424 [0,1,0,0,0,0|2,0,0]=3 776 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)C 34a_100000039261_100009893438 [0,1,0,0,0,0|2,0,0]=3 777 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)C 7a_100000039261_100000042424 [0,1,0,0,0,0|2,0,0]=3 778 B17R2.5385 C=C(F)COc1c(ccc2c1cccc2)N 34a_100000007060_100009893438 [0,1,0,0,0,0|2,0,0]=3 779 B17R2.5385 C=C(F)COc1c(ccc2c1nccc2)Br 34a_100009816563_100009893438 [0,1,0,0,0,0|3,0,0]=4 780 B17R2.5385 C=C(F)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100009893438 [0,1,0,0,0,0|3,0,0]=4 781 B17R2.5385 C=C(F)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000042424 [0,1,0,0,0,0|3,0,0]=4 782 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)C 62a_100000042424_100000759710 [0,1,0,0,0,0|2,1,0]=4 783 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)C 62a_100000759710_100000042424 [0,1,0,0,0,0|2,1,0]=4 784 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)N 62a_100000042424_100000705303 [0,1,0,0,0,0|2,1,0]=4 785 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000042424 [0,1,0,0,0,0|2,1,0]=4 786 B17R2.5385 C=C(F)CSc1c(ccc2c1cccc2)O 62a_100000042424_100000183829 [0,1,0,0,0,0|2,1,0]=4 787 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000210624 [0,1,0,0,0,0|2,0,1]=4 788 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000210760 [0,1,0,0,0,0|2,0,1]=4 789 B17R2.5385 CC(C)COc1c(ccc2c1cccc2)N 34a_100000007060_100000210624 [0,1,0,0,0,0|2,0,1]=4 790 B17R2.5385 CC(O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100011218427 [0,1,0,0,0,0|2,0,1]=4 791 B17R2.5385 CC(O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100011218427 [0,1,0,0,0,0|2,0,1]=4 792 B17R2.5385 CC(O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100011218427 [0,1,0,0,0,0|2,0,1]=4 793 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100011218427 [0,1,0,0,0,0|1,0,1]=3 794 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100011218427 [0,1,0,0,0,0|1,0,1]=3 795 B17R2.5385 CC(O)COc1c(ccc2c1cccc2)N 34a_100000007060_100011218427 [0,1,0,0,0,0|1,0,1]=3 796 B17R2.5385 CC(O)COc1c(ccc2c1nccc2)Br 34a_100009816563_100011218427 [0,1,0,0,0,0|2,0,1]=4 797 B17R2.5385 CC(O)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100011218427 [0,1,0,0,0,0|2,0,1]=4 798 B17R2.5385 CC(O)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100011218427 [0,1,0,0,0,0|2,0,1]=4 799 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100011218427 [0,1,0,0,0,0|1,1,1]=4 800 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)Br 62a_100011218427_100010090040 [0,1,0,0,0,0|1,1,1]=4 801 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100011218427 [0,1,0,0,0,0|1,1,1]=4 802 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)N 62a_100011218427_100000705303 [0,1,0,0,0,0|1,1,1]=4 803 B17R2.5385 CC(O)CSc1c(ccc2c1cccc2)O 62a_100011218427_100000183829 [0,1,0,0,0,0|1,1,1]=4 804 B17R2.5385 C[C@@H](O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100009817552 [0,1,0,0,0,0|2,0,1]=4 805 B17R2.5385 C[C@@H](O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100009817552 [0,1,0,0,0,0|2,0,1]=4 806 B17R2.5385 C[C@@H](O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100009817552 [0,1,0,0,0,0|2,0,1]=4 807 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100009817552 [0,1,0,0,0,0|1,0,1]=3 808 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100009817552 [0,1,0,0,0,0|1,0,1]=3 809 B17R2.5385 C[C@@H](O)COc1c(ccc2c1cccc2)N 34a_100000007060_100009817552 [0,1,0,0,0,0|1,0,1]=3 810 B17R2.5385 C[C@@H](O)COc1c(ccc2c1nccc2)Br 34a_100009816563_100009817552 [0,1,0,0,0,0|2,0,1]=4 811 B17R2.5385 C[C@@H](O)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100009817552 [0,1,0,0,0,0|2,0,1]=4 812 B17R2.5385 C[C@@H](O)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100009817552 [0,1,0,0,0,0|2,0,1]=4 813 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)Br 62a_100009817552_100010090040 [0,1,0,0,0,0|1,1,1]=4 814 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100009817552 [0,1,0,0,0,0|1,1,1]=4 815 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100009817552 [0,1,0,0,0,0|1,1,1]=4 816 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)N 62a_100009817552_100000705303 [0,1,0,0,0,0|1,1,1]=4 817 B17R2.5385 C[C@@H](O)CSc1c(ccc2c1cccc2)O 62a_100009817552_100000183829 [0,1,0,0,0,0|1,1,1]=4 818 B17R2.5385 Cc1ccc2ccccc2c1NCC(=O)N 34a_100000688109_100000187820 [0,1,0,0,0,0|2,0,0]=3 819 B17R2.5385 Cc1ccc2ccccc2c1NCC(=O)[O-] 34a_100000688109_100020667443 [0,1,0,0,0,0|1,0,1]=3 820 B17R2.5385 Cc1ccc2ccccc2c1NCC(C)O 34a_100000688109_100011218427 [0,1,0,0,0,0|2,0,1]=4 821 B17R2.5385 Cc1ccc2ccccc2c1NC[C@@H](C)O 34a_100000688109_100009817552 [0,1,0,0,0,0|2,0,1]=4 822 B17R2.5385 Cc1ccc2ccccc2c1NC[N+](=O)[O-] 34a_100000688109_100000761209 [0,1,0,0,0,0|2,0,1]=4 823 B17R2.5385 Cc1ccc2ccccc2c1OCC(=O)N 34a_100000039261_100000187820 [0,1,0,0,0,0|1,0,0]=2 824 B17R2.5385 Cc1ccc2ccccc2c1OCC(=O)N 7a_100000039261_100000187820 [0,1,0,0,0,0|1,0,0]=2 825 B17R2.5385 Cc1ccc2ccccc2c1OCC(=O)[O-] 34a_100000039261_100020667443 [0,1,0,0,0,0|0,0,1]=2 826 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)C 34a_100000039261_100000210624 [0,1,0,0,0,0|2,0,1]=4 827 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)C 7a_100000039261_100000210760 [0,1,0,0,0,0|2,0,1]=4 828 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)O 34a_100000039261_100011218427 [0,1,0,0,0,0|1,0,1]=3 829 B17R2.5385 Cc1ccc2ccccc2c1OCC(C)O 7a_100000039261_100011218427 [0,1,0,0,0,0|1,0,1]=3 830 B17R2.5385 Cc1ccc2ccccc2c1OCC(F)F 34a_100000039261_100011934356 [0,1,0,0,0,0|2,0,1]=4 831 B17R2.5385 Cc1ccc2ccccc2c1OCC(F)F 7a_100000039261_100011934356 [0,1,0,0,0,0|2,0,1]=4 832 B17R2.5385 Cc1ccc2ccccc2c1OC[C@@H](C)O 34a_100000039261_100009817552 [0,1,0,0,0,0|1,0,1]=3 833 B17R2.5385 Cc1ccc2ccccc2c1OC[C@@H](C)O 7a_100000039261_100009817552 [0,1,0,0,0,0|1,0,1]=3 834 B17R2.5385 Cc1ccc2ccccc2c1OC[N+](=O)[O-] 34a_100000039261_100000761209 [0,1,0,0,0,0|1,0,1]=3 835 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)N 62a_100000747473_100000759710 [0,1,0,0,0,0|1,1,0]=3 836 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)N 62a_100000759710_100000747473 [0,1,0,0,0,0|1,1,0]=3 837 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)[O-] 62a_100000759710_100020667443 [0,1,0,0,0,0|0,1,1]=3 838 B17R2.5385 Cc1ccc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100000759710 [0,1,0,0,0,0|0,1,1]=3 839 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)O 62a_100000759710_100011218427 [0,1,0,0,0,0|1,1,1]=4 840 B17R2.5385 Cc1ccc2ccccc2c1SCC(C)O 62a_100011218427_100000759710 [0,1,0,0,0,0|1,1,1]=4 841 B17R2.5385 Cc1ccc2ccccc2c1SC[C@@H](C)O 62a_100000759710_100009817552 [0,1,0,0,0,0|1,1,1]=4 842 B17R2.5385 Cc1ccc2ccccc2c1SC[C@@H](C)O 62a_100009817552_100000759710 [0,1,0,0,0,0|1,1,1]=4 843 B17R2.5385 Cc1ccc2ccccc2c1SC[N+](=O)[O-] 62a_100000759710_100000761209 [0,1,0,0,0,0|1,1,1]=4 844 B17R2.5385 Cc1ccc2cccnc2c1NCC(=O)N 34a_100000065890_100000187820 [0,1,0,0,0,0|3,0,0]=4 845 B17R2.5385 Cc1ccc2cccnc2c1NCC(=O)[O-] 34a_100000065890_100020667443 [0,1,0,0,0,0|2,0,1]=4 846 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)N 62a_100000747473_100010204589 [0,1,0,0,0,0|2,1,0]=4 847 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)N 62a_100010204589_100000747473 [0,1,0,0,0,0|2,1,0]=4 848 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)[O-] 62a_100010204589_100020667443 [0,1,0,0,0,0|1,1,1]=4 849 B17R2.5385 Cc1ccc2cnccc2c1SCC(=O)[O-] 62a_100020667443_100010204589 [0,1,0,0,0,0|1,1,1]=4 850 B17R2.5385 Cc1ccc2ncccc2c1NCC(=O)N 34a_100011933972_100000187820 [0,1,0,0,0,0|3,0,0]=4 851 B17R2.5385 Cc1ccc2ncccc2c1NCC(=O)[O-] 34a_100011933972_100020667443 [0,1,0,0,0,0|2,0,1]=4 852 B17R2.5385 Cc1cnc2ccccc2c1SCC(=O)N 62a_100000747473_100000092342 [0,1,0,0,0,0|2,1,0]=4 853 B17R2.5385 Cc1cnc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100000092342 [0,1,0,0,0,0|1,1,1]=4 854 B17R2.5385 FC(F)COc1c(ccc2c1cccc2)Br 34a_100009996032_100011934356 [0,1,0,0,0,0|2,0,1]=4 855 B17R2.5385 FC(F)COc1c(ccc2c1cccc2)Br 7a_100009996032_100011934356 [0,1,0,0,0,0|2,0,1]=4 856 B17R2.5385 NC(=O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000187820 [0,1,0,0,0,0|2,0,0]=3 857 B17R2.5385 NC(=O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000187820 [0,1,0,0,0,0|2,0,0]=3 858 B17R2.5385 NC(=O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000187820 [0,1,0,0,0,0|2,0,0]=3 859 B17R2.5385 NC(=O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000187820 [0,1,0,0,0,0|1,0,0]=2 860 B17R2.5385 NC(=O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000187820 [0,1,0,0,0,0|1,0,0]=2 861 B17R2.5385 NC(=O)COc1c(ccc2c1cccc2)N 34a_100000007060_100000187820 [0,1,0,0,0,0|1,0,0]=2 862 B17R2.5385 NC(=O)COc1c(ccc2c1nccc2)Br 34a_100009816563_100000187820 [0,1,0,0,0,0|2,0,0]=3 863 B17R2.5385 NC(=O)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100000187820 [0,1,0,0,0,0|2,0,0]=3 864 B17R2.5385 NC(=O)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000187820 [0,1,0,0,0,0|2,0,0]=3 865 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)Br 62a_100000747473_100010090040 [0,1,0,0,0,0|1,1,0]=3 866 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000747473 [0,1,0,0,0,0|1,1,0]=3 867 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000747473 [0,1,0,0,0,0|1,1,0]=3 868 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)N 62a_100000747473_100000705303 [0,1,0,0,0,0|1,1,0]=3 869 B17R2.5385 NC(=O)CSc1c(ccc2c1cccc2)O 62a_100000747473_100000183829 [0,1,0,0,0,0|1,1,0]=3 870 B17R2.5385 NC(=O)CSc1c(ccc2c1cccn2)N 62a_100000747473_200009995563 [0,1,0,0,0,0|2,1,0]=4 871 B17R2.5385 NC(=O)CSc1c(ccc2c1cccn2)N 62a_200009995563_100000747473 [0,1,0,0,0,0|2,1,0]=4 872 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)F 62a_100000747473_100010272212 [0,1,0,0,0,0|2,1,0]=4 873 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)F 62a_100010272212_100000747473 [0,1,0,0,0,0|2,1,0]=4 874 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)N 62a_100000747473_100010245214 [0,1,0,0,0,0|2,1,0]=4 875 B17R2.5385 NC(=O)CSc1c(ccc2c1ccnc2)N 62a_100010245214_100000747473 [0,1,0,0,0,0|2,1,0]=4 876 B17R2.5385 NC(=O)CSc1c(ccc2c1cncc2)F 62a_100000747473_200015767032 [0,1,0,0,0,0|2,1,0]=4 877 B17R2.5385 NC(=O)CSc1c(ccc2c1cncc2)F 62a_200015767032_100000747473 [0,1,0,0,0,0|2,1,0]=4 878 B17R2.5385 NC(=O)CSc1c(ccc2c1cncc2)O 62a_100000747473_200010115057 [0,1,0,0,0,0|2,1,0]=4 879 B17R2.5385 NC(=O)CSc1c(ccc2c1nccc2)O 62a_100000747473_100010173343 [0,1,0,0,0,0|2,1,0]=4 880 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)Br 62a_100000747473_200010179490 [0,1,0,0,0,0|2,1,0]=4 881 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)Br 62a_200010179490_100000747473 [0,1,0,0,0,0|2,1,0]=4 882 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)N 62a_100000747473_100012243074 [0,1,0,0,0,0|2,1,0]=4 883 B17R2.5385 NC(=O)CSc1c(cnc2c1cccc2)N 62a_100009995561_100000747473 [0,1,0,0,0,0|2,1,0]=4 884 B17R2.5385 NC(=O)CSc1c(ncc2c1cccc2)N 62a_100000747473_100009994184 [0,1,0,0,0,0|2,1,0]=4 885 B17R2.5385 NC(=O)CSc1c(ncc2c1cccc2)N 62a_100009994184_100000747473 [0,1,0,0,0,0|2,1,0]=4 886 B17R2.5385 Nc1ccc2ccccc2c1OCC(=O)[O-] 34a_100000007060_100020667443 [0,1,0,0,0,0|0,0,1]=2 887 B17R2.5385 Nc1ccc2ccccc2c1OCC(F)F 34a_100000007060_100011934356 [0,1,0,0,0,0|2,0,1]=4 888 B17R2.5385 Nc1ccc2ccccc2c1OC[N+](=O)[O-] 34a_100000007060_100000761209 [0,1,0,0,0,0|1,0,1]=3 889 B17R2.5385 Nc1ccc2ccccc2c1SCC(=O)[O-] 62a_100000705303_100020667443 [0,1,0,0,0,0|0,1,1]=3 890 B17R2.5385 Nc1ccc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100000705303 [0,1,0,0,0,0|0,1,1]=3 891 B17R2.5385 Nc1ccc2ccccc2c1SC[N+](=O)[O-] 62a_100000705303_100000761209 [0,1,0,0,0,0|1,1,1]=4 892 B17R2.5385 Nc1ccc2cnccc2c1SCC(=O)[O-] 62a_100010245214_100020667443 [0,1,0,0,0,0|1,1,1]=4 893 B17R2.5385 Nc1ccc2cnccc2c1SCC(=O)[O-] 62a_100020667443_100010245214 [0,1,0,0,0,0|1,1,1]=4 894 B17R2.5385 Nc1ccc2ncccc2c1SCC(=O)[O-] 62a_100020667443_200009995563 [0,1,0,0,0,0|1,1,1]=4 895 B17R2.5385 Nc1ccc2ncccc2c1SCC(=O)[O-] 62a_200009995563_100020667443 [0,1,0,0,0,0|1,1,1]=4 896 B17R2.5385 Nc1cnc2ccccc2c1SCC(=O)[O-] 62a_100009995561_100020667443 [0,1,0,0,0,0|1,1,1]=4 897 B17R2.5385 Nc1cnc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100012243074 [0,1,0,0,0,0|1,1,1]=4 898 B17R2.5385 Nc1ncc2ccccc2c1SCC(=O)[O-] 62a_100009994184_100020667443 [0,1,0,0,0,0|1,1,1]=4 899 B17R2.5385 Nc1ncc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100009994184 [0,1,0,0,0,0|1,1,1]=4 900 B17R2.5385 O=C([O-])CNc1c(ccc2c1cccc2)Br 34a_100009817101_100020667443 [0,1,0,0,0,0|1,0,1]=3 901 B17R2.5385 O=C([O-])CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100020667443 [0,1,0,0,0,0|1,0,1]=3 902 B17R2.5385 O=C([O-])CNc1c(ccc2c1cccc2)O 34a_100000007056_100020667443 [0,1,0,0,0,0|1,0,1]=3 903 B17R2.5385 O=C([O-])COc1c(ccc2c1cccc2)Br 34a_100009996032_100020667443 [0,1,0,0,0,0|0,0,1]=2 904 B17R2.5385 O=C([O-])COc1c(ccc2c1nccc2)Br 34a_100009816563_100020667443 [0,1,0,0,0,0|1,0,1]=3 905 B17R2.5385 O=C([O-])COc1c(ccc2c1nccc2)Cl 34a_100000700379_100020667443 [0,1,0,0,0,0|1,0,1]=3 906 B17R2.5385 O=C([O-])CSc1c(ccc2c1cccc2)Br 62a_100010090040_100020667443 [0,1,0,0,0,0|0,1,1]=3 907 B17R2.5385 O=C([O-])CSc1c(ccc2c1cccc2)Br 62a_100020667443_100010090040 [0,1,0,0,0,0|0,1,1]=3 908 B17R2.5385 O=C([O-])CSc1c(ccc2c1cccc2)O 62a_100020667443_100000183829 [0,1,0,0,0,0|0,1,1]=3 909 B17R2.5385 O=C([O-])CSc1c(ccc2c1ccnc2)F 62a_100010272212_100020667443 [0,1,0,0,0,0|1,1,1]=4 910 B17R2.5385 O=C([O-])CSc1c(ccc2c1ccnc2)F 62a_100020667443_100010272212 [0,1,0,0,0,0|1,1,1]=4 911 B17R2.5385 O=C([O-])CSc1c(ccc2c1cncc2)F 62a_100020667443_200015767032 [0,1,0,0,0,0|1,1,1]=4 912 B17R2.5385 O=C([O-])CSc1c(ccc2c1cncc2)F 62a_200015767032_100020667443 [0,1,0,0,0,0|1,1,1]=4 913 B17R2.5385 O=C([O-])CSc1c(ccc2c1cncc2)O 62a_100020667443_200010115057 [0,1,0,0,0,0|1,1,1]=4 914 B17R2.5385 O=C([O-])CSc1c(ccc2c1nccc2)O 62a_100020667443_100010173343 [0,1,0,0,0,0|1,1,1]=4 915 B17R2.5385 O=C([O-])CSc1c(cnc2c1cccc2)Br 62a_100020667443_200010179490 [0,1,0,0,0,0|1,1,1]=4 916 B17R2.5385 O=C([O-])CSc1c(cnc2c1cccc2)Br 62a_200010179490_100020667443 [0,1,0,0,0,0|1,1,1]=4 917 B17R2.5385 O=[N+]([O-])CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000761209 [0,1,0,0,0,0|2,0,1]=4 918 B17R2.5385 O=[N+]([O-])CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000761209 [0,1,0,0,0,0|2,0,1]=4 919 B17R2.5385 O=[N+]([O-])CNc1c(ccc2c1cccc2)O 34a_100000007056_100000761209 [0,1,0,0,0,0|2,0,1]=4 920 B17R2.5385 O=[N+]([O-])COc1c(ccc2c1cccc2)Br 34a_100009996032_100000761209 [0,1,0,0,0,0|1,0,1]=3 921 B17R2.5385 O=[N+]([O-])COc1c(ccc2c1nccc2)Br 34a_100009816563_100000761209 [0,1,0,0,0,0|2,0,1]=4 922 B17R2.5385 O=[N+]([O-])COc1c(ccc2c1nccc2)Cl 34a_100000700379_100000761209 [0,1,0,0,0,0|2,0,1]=4 923 B17R2.5385 O=[N+]([O-])CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000761209 [0,1,0,0,0,0|1,1,1]=4 924 B17R2.19944 C=C(C)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000748629 [0,1,0,0,0,0|3,0,0]=4 925 B17R2.19944 C=C(C)CNc1cccc2c1cc(cc2)O 34a_100000034012_100000748629 [0,1,0,0,0,0|3,0,0]=4 926 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000748629 [0,1,0,0,0,0|2,0,0]=3 927 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000748629 [0,1,0,0,0,0|2,0,0]=3 928 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)C 34a_100000040781_100000748629 [0,1,0,0,0,0|2,0,0]=3 929 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)C 7a_100000040781_100000748629 [0,1,0,0,0,0|2,0,0]=3 930 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000748629 [0,1,0,0,0,0|2,0,0]=3 931 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000748629 [0,1,0,0,0,0|2,0,0]=3 932 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)F 34a_100009881884_100000748629 [0,1,0,0,0,0|2,0,0]=3 933 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)F 7a_100009881884_100000748629 [0,1,0,0,0,0|2,0,0]=3 934 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)N 34a_100132313934_100000748629 [0,1,0,0,0,0|2,0,0]=3 935 B17R2.19944 C=C(C)COc1cccc2c1cc(cc2)N 7a_100132313934_100000748629 [0,1,0,0,0,0|2,0,0]=3 936 B17R2.19944 C=C(C)COc1cccc2c1cc(cn2)Br 34a_200010153752_100000748629 [0,1,0,0,0,0|3,0,0]=4 937 B17R2.19944 C=C(C)COc1cccc2c1cc(cn2)Br 7a_200010153752_100000748629 [0,1,0,0,0,0|3,0,0]=4 938 B17R2.19944 C=C(C)COc1cccc2c1cc(cn2)N 34a_100009853962_100000748629 [0,1,0,0,0,0|3,0,0]=4 939 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)Br 34a_100010153751_100000748629 [0,1,0,0,0,0|3,0,0]=4 940 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)Br 7a_100010153751_100000748629 [0,1,0,0,0,0|3,0,0]=4 941 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)C 34a_100000184714_100000748629 [0,1,0,0,0,0|3,0,0]=4 942 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)C 7a_100000184714_100000748629 [0,1,0,0,0,0|3,0,0]=4 943 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100000748629 [0,1,0,0,0,0|3,0,0]=4 944 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100000748629 [0,1,0,0,0,0|3,0,0]=4 945 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)N 34a_100000032106_100000748629 [0,1,0,0,0,0|3,0,0]=4 946 B17R2.19944 C=C(C)COc1cccc2c1nc(cc2)N 7a_100000032106_100000748629 [0,1,0,0,0,0|3,0,0]=4 947 B17R2.19944 C=C(C)COc1ccnc2c1cc(cc2)C 34a_200011310529_100000748629 [0,1,0,0,0,0|3,0,0]=4 948 B17R2.19944 C=C(C)COc1ccnc2c1cc(cc2)F 34a_100000004104_100000748629 [0,1,0,0,0,0|3,0,0]=4 949 B17R2.19944 C=C(C)COc1cncc2c1cc(cc2)Br 34a_100010136424_100000748629 [0,1,0,0,0,0|3,0,0]=4 950 B17R2.19944 C=C(C)COc1cncc2c1cc(cc2)Br 7a_100010136424_100000748629 [0,1,0,0,0,0|3,0,0]=4 951 B17R2.19944 C=C(C)COc1nccc2c1cc(cc2)Br 34a_100000010956_100000748629 [0,1,0,0,0,0|3,0,0]=4 952 B17R2.19944 C=C(C)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100000748629 [0,1,0,0,0,0|3,0,0]=4 953 B17R2.19944 C=C(C)CSc1cccc2c1cc(cc2)O 62a_100000748629_100010169565 [0,1,0,0,0,0|2,1,0]=4 954 B17R2.19944 C=C(F)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100009893438 [0,1,0,0,0,0|3,0,0]=4 955 B17R2.19944 C=C(F)CNc1cccc2c1cc(cc2)O 34a_100000034012_100009893438 [0,1,0,0,0,0|3,0,0]=4 956 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Br 34a_100010089991_100009893438 [0,1,0,0,0,0|2,0,0]=3 957 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000042424 [0,1,0,0,0,0|2,0,0]=3 958 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)C 34a_100000040781_100009893438 [0,1,0,0,0,0|2,0,0]=3 959 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)C 7a_100000040781_100000042424 [0,1,0,0,0,0|2,0,0]=3 960 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100009893438 [0,1,0,0,0,0|2,0,0]=3 961 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000042424 [0,1,0,0,0,0|2,0,0]=3 962 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)F 34a_100009881884_100009893438 [0,1,0,0,0,0|2,0,0]=3 963 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)F 7a_100009881884_100000042424 [0,1,0,0,0,0|2,0,0]=3 964 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)N 34a_100132313934_100009893438 [0,1,0,0,0,0|2,0,0]=3 965 B17R2.19944 C=C(F)COc1cccc2c1cc(cc2)N 7a_100132313934_100000042424 [0,1,0,0,0,0|2,0,0]=3 966 B17R2.19944 C=C(F)COc1cccc2c1cc(cn2)Br 34a_200010153752_100009893438 [0,1,0,0,0,0|3,0,0]=4 967 B17R2.19944 C=C(F)COc1cccc2c1cc(cn2)Br 7a_200010153752_100000042424 [0,1,0,0,0,0|3,0,0]=4 968 B17R2.19944 C=C(F)COc1cccc2c1cc(cn2)N 34a_100009853962_100009893438 [0,1,0,0,0,0|3,0,0]=4 969 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)Br 34a_100010153751_100009893438 [0,1,0,0,0,0|3,0,0]=4 970 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)Br 7a_100010153751_100000042424 [0,1,0,0,0,0|3,0,0]=4 971 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)C 34a_100000184714_100009893438 [0,1,0,0,0,0|3,0,0]=4 972 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)C 7a_100000184714_100000042424 [0,1,0,0,0,0|3,0,0]=4 973 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100009893438 [0,1,0,0,0,0|3,0,0]=4 974 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100000042424 [0,1,0,0,0,0|3,0,0]=4 975 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)N 34a_100000032106_100009893438 [0,1,0,0,0,0|3,0,0]=4 976 B17R2.19944 C=C(F)COc1cccc2c1nc(cc2)N 7a_100000032106_100000042424 [0,1,0,0,0,0|3,0,0]=4 977 B17R2.19944 C=C(F)COc1ccnc2c1cc(cc2)C 34a_200011310529_100009893438 [0,1,0,0,0,0|3,0,0]=4 978 B17R2.19944 C=C(F)COc1ccnc2c1cc(cc2)F 34a_100000004104_100009893438 [0,1,0,0,0,0|3,0,0]=4 979 B17R2.19944 C=C(F)COc1cncc2c1cc(cc2)Br 34a_100010136424_100009893438 [0,1,0,0,0,0|3,0,0]=4 980 B17R2.19944 C=C(F)COc1cncc2c1cc(cc2)Br 7a_100010136424_100000042424 [0,1,0,0,0,0|3,0,0]=4 981 B17R2.19944 C=C(F)COc1nccc2c1cc(cc2)Br 34a_100000010956_100009893438 [0,1,0,0,0,0|3,0,0]=4 982 B17R2.19944 C=C(F)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100009893438 [0,1,0,0,0,0|3,0,0]=4 983 B17R2.19944 C=C(F)CSc1cccc2c1cc(cc2)O 62a_100000042424_100010169565 [0,1,0,0,0,0|2,1,0]=4 984 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000210624 [0,1,0,0,0,0|2,0,1]=4 985 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000210760 [0,1,0,0,0,0|2,0,1]=4 986 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000210624 [0,1,0,0,0,0|2,0,1]=4 987 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000210760 [0,1,0,0,0,0|2,0,1]=4 988 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)F 34a_100009881884_100000210624 [0,1,0,0,0,0|2,0,1]=4 989 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)F 7a_100009881884_100000210760 [0,1,0,0,0,0|2,0,1]=4 990 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)N 34a_100132313934_100000210624 [0,1,0,0,0,0|2,0,1]=4 991 B17R2.19944 CC(C)COc1cccc2c1cc(cc2)N 7a_100132313934_100000210760 [0,1,0,0,0,0|2,0,1]=4 992 B17R2.19944 CC(O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100011218427 [0,1,0,0,0,0|2,0,1]=4 993 B17R2.19944 CC(O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100011218427 [0,1,0,0,0,0|2,0,1]=4 994 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100011218427 [0,1,0,0,0,0|1,0,1]=3 995 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100011218427 [0,1,0,0,0,0|1,0,1]=3 996 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100011218427 [0,1,0,0,0,0|1,0,1]=3 997 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100011218427 [0,1,0,0,0,0|1,0,1]=3 998 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)F 34a_100009881884_100011218427 [0,1,0,0,0,0|1,0,1]=3 999 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)F 7a_100009881884_100011218427 [0,1,0,0,0,0|1,0,1]=3 1000 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)N 34a_100132313934_100011218427 [0,1,0,0,0,0|1,0,1]=3 1001 B17R2.19944 CC(O)COc1cccc2c1cc(cc2)N 7a_100132313934_100011218427 [0,1,0,0,0,0|1,0,1]=3 1002 B17R2.19944 CC(O)COc1cccc2c1cc(cn2)Br 34a_200010153752_100011218427 [0,1,0,0,0,0|2,0,1]=4 1003 B17R2.19944 CC(O)COc1cccc2c1cc(cn2)Br 7a_200010153752_100011218427 [0,1,0,0,0,0|2,0,1]=4 1004 B17R2.19944 CC(O)COc1cccc2c1cc(cn2)N 34a_100009853962_100011218427 [0,1,0,0,0,0|2,0,1]=4 1005 B17R2.19944 CC(O)COc1cccc2c1nc(cc2)Br 34a_100010153751_100011218427 [0,1,0,0,0,0|2,0,1]=4 1006 B17R2.19944 CC(O)COc1cccc2c1nc(cc2)Br 7a_100010153751_100011218427 [0,1,0,0,0,0|2,0,1]=4 1007 B17R2.19944 CC(O)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100011218427 [0,1,0,0,0,0|2,0,1]=4 1008 B17R2.19944 CC(O)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100011218427 [0,1,0,0,0,0|2,0,1]=4 1009 B17R2.19944 CC(O)COc1cccc2c1nc(cc2)N 34a_100000032106_100011218427 [0,1,0,0,0,0|2,0,1]=4 1010 B17R2.19944 CC(O)COc1cccc2c1nc(cc2)N 7a_100000032106_100011218427 [0,1,0,0,0,0|2,0,1]=4 1011 B17R2.19944 CC(O)COc1ccnc2c1cc(cc2)F 34a_100000004104_100011218427 [0,1,0,0,0,0|2,0,1]=4 1012 B17R2.19944 CC(O)COc1cncc2c1cc(cc2)Br 34a_100010136424_100011218427 [0,1,0,0,0,0|2,0,1]=4 1013 B17R2.19944 CC(O)COc1cncc2c1cc(cc2)Br 7a_100010136424_100011218427 [0,1,0,0,0,0|2,0,1]=4 1014 B17R2.19944 CC(O)COc1nccc2c1cc(cc2)Br 34a_100000010956_100011218427 [0,1,0,0,0,0|2,0,1]=4 1015 B17R2.19944 CC(O)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100011218427 [0,1,0,0,0,0|2,0,1]=4 1016 B17R2.19944 CC(O)CSc1cccc2c1cc(cc2)O 62a_100011218427_100010169565 [0,1,0,0,0,0|1,1,1]=4 1017 B17R2.19944 C[C@@H](O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100009817552 [0,1,0,0,0,0|2,0,1]=4 1018 B17R2.19944 C[C@@H](O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100009817552 [0,1,0,0,0,0|2,0,1]=4 1019 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100009817552 [0,1,0,0,0,0|1,0,1]=3 1020 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100009817552 [0,1,0,0,0,0|1,0,1]=3 1021 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100009817552 [0,1,0,0,0,0|1,0,1]=3 1022 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100009817552 [0,1,0,0,0,0|1,0,1]=3 1023 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)F 34a_100009881884_100009817552 [0,1,0,0,0,0|1,0,1]=3 1024 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)F 7a_100009881884_100009817552 [0,1,0,0,0,0|1,0,1]=3 1025 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)N 34a_100132313934_100009817552 [0,1,0,0,0,0|1,0,1]=3 1026 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cc2)N 7a_100132313934_100009817552 [0,1,0,0,0,0|1,0,1]=3 1027 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cn2)Br 34a_200010153752_100009817552 [0,1,0,0,0,0|2,0,1]=4 1028 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cn2)Br 7a_200010153752_100009817552 [0,1,0,0,0,0|2,0,1]=4 1029 B17R2.19944 C[C@@H](O)COc1cccc2c1cc(cn2)N 34a_100009853962_100009817552 [0,1,0,0,0,0|2,0,1]=4 1030 B17R2.19944 C[C@@H](O)COc1cccc2c1nc(cc2)Br 34a_100010153751_100009817552 [0,1,0,0,0,0|2,0,1]=4 1031 B17R2.19944 C[C@@H](O)COc1cccc2c1nc(cc2)Br 7a_100010153751_100009817552 [0,1,0,0,0,0|2,0,1]=4 1032 B17R2.19944 C[C@@H](O)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100009817552 [0,1,0,0,0,0|2,0,1]=4 1033 B17R2.19944 C[C@@H](O)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100009817552 [0,1,0,0,0,0|2,0,1]=4 1034 B17R2.19944 C[C@@H](O)COc1cccc2c1nc(cc2)N 34a_100000032106_100009817552 [0,1,0,0,0,0|2,0,1]=4 1035 B17R2.19944 C[C@@H](O)COc1cccc2c1nc(cc2)N 7a_100000032106_100009817552 [0,1,0,0,0,0|2,0,1]=4 1036 B17R2.19944 C[C@@H](O)COc1ccnc2c1cc(cc2)F 34a_100000004104_100009817552 [0,1,0,0,0,0|2,0,1]=4 1037 B17R2.19944 C[C@@H](O)COc1cncc2c1cc(cc2)Br 34a_100010136424_100009817552 [0,1,0,0,0,0|2,0,1]=4 1038 B17R2.19944 C[C@@H](O)COc1cncc2c1cc(cc2)Br 7a_100010136424_100009817552 [0,1,0,0,0,0|2,0,1]=4 1039 B17R2.19944 C[C@@H](O)COc1nccc2c1cc(cc2)Br 34a_100000010956_100009817552 [0,1,0,0,0,0|2,0,1]=4 1040 B17R2.19944 C[C@@H](O)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100009817552 [0,1,0,0,0,0|2,0,1]=4 1041 B17R2.19944 C[C@@H](O)CSc1cccc2c1cc(cc2)O 62a_100009817552_100010169565 [0,1,0,0,0,0|1,1,1]=4 1042 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(=O)N 34a_100000040781_100000187820 [0,1,0,0,0,0|1,0,0]=2 1043 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(=O)N 7a_100000040781_100000187820 [0,1,0,0,0,0|1,0,0]=2 1044 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(=O)[O-] 34a_100000040781_100020667443 [0,1,0,0,0,0|0,0,1]=2 1045 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(C)C 34a_100000040781_100000210624 [0,1,0,0,0,0|2,0,1]=4 1046 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(C)C 7a_100000040781_100000210760 [0,1,0,0,0,0|2,0,1]=4 1047 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(C)O 34a_100000040781_100011218427 [0,1,0,0,0,0|1,0,1]=3 1048 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(C)O 7a_100000040781_100011218427 [0,1,0,0,0,0|1,0,1]=3 1049 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(F)F 34a_100000040781_100011934356 [0,1,0,0,0,0|2,0,1]=4 1050 B17R2.19944 Cc1ccc2cccc(c2c1)OCC(F)F 7a_100000040781_100011934356 [0,1,0,0,0,0|2,0,1]=4 1051 B17R2.19944 Cc1ccc2cccc(c2c1)OC[C@@H](C)O 34a_100000040781_100009817552 [0,1,0,0,0,0|1,0,1]=3 1052 B17R2.19944 Cc1ccc2cccc(c2c1)OC[C@@H](C)O 7a_100000040781_100009817552 [0,1,0,0,0,0|1,0,1]=3 1053 B17R2.19944 Cc1ccc2cccc(c2c1)OC[N+](=O)[O-] 34a_100000040781_100000761209 [0,1,0,0,0,0|1,0,1]=3 1054 B17R2.19944 Cc1ccc2cccc(c2n1)NCC(=O)N 34a_100000019871_100000187820 [0,1,0,0,0,0|3,0,0]=4 1055 B17R2.19944 Cc1ccc2cccc(c2n1)NCC(=O)[O-] 34a_100000019871_100020667443 [0,1,0,0,0,0|2,0,1]=4 1056 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(=O)N 34a_100000184714_100000187820 [0,1,0,0,0,0|2,0,0]=3 1057 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(=O)N 7a_100000184714_100000187820 [0,1,0,0,0,0|2,0,0]=3 1058 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(=O)[O-] 34a_100000184714_100020667443 [0,1,0,0,0,0|1,0,1]=3 1059 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(C)O 34a_100000184714_100011218427 [0,1,0,0,0,0|2,0,1]=4 1060 B17R2.19944 Cc1ccc2cccc(c2n1)OCC(C)O 7a_100000184714_100011218427 [0,1,0,0,0,0|2,0,1]=4 1061 B17R2.19944 Cc1ccc2cccc(c2n1)OC[C@@H](C)O 34a_100000184714_100009817552 [0,1,0,0,0,0|2,0,1]=4 1062 B17R2.19944 Cc1ccc2cccc(c2n1)OC[C@@H](C)O 7a_100000184714_100009817552 [0,1,0,0,0,0|2,0,1]=4 1063 B17R2.19944 Cc1ccc2cccc(c2n1)OC[N+](=O)[O-] 34a_100000184714_100000761209 [0,1,0,0,0,0|2,0,1]=4 1064 B17R2.19944 Cc1ccc2cccc(c2n1)SCC(=O)N 62a_100000747473_100011934484 [0,1,0,0,0,0|2,1,0]=4 1065 B17R2.19944 Cc1ccc2cccc(c2n1)SCC(=O)[O-] 62a_100020667443_100011934484 [0,1,0,0,0,0|1,1,1]=4 1066 B17R2.19944 Cc1ccc2cncc(c2c1)SCC(=O)N 62a_100000747473_100009817139 [0,1,0,0,0,0|2,1,0]=4 1067 B17R2.19944 Cc1ccc2cncc(c2c1)SCC(=O)[O-] 62a_100020667443_100009817139 [0,1,0,0,0,0|1,1,1]=4 1068 B17R2.19944 Cc1ccc2nccc(c2c1)OCC(=O)N 34a_200011310529_100000187820 [0,1,0,0,0,0|2,0,0]=3 1069 B17R2.19944 Cc1ccc2nccc(c2c1)OCC(=O)[O-] 34a_200011310529_100020667443 [0,1,0,0,0,0|1,0,1]=3 1070 B17R2.19944 Cc1ccc2nccc(c2c1)OCC(C)O 34a_200011310529_100011218427 [0,1,0,0,0,0|2,0,1]=4 1071 B17R2.19944 Cc1ccc2nccc(c2c1)OC[C@@H](C)O 34a_200011310529_100009817552 [0,1,0,0,0,0|2,0,1]=4 1072 B17R2.19944 Cc1ccc2nccc(c2c1)OC[N+](=O)[O-] 34a_200011310529_100000761209 [0,1,0,0,0,0|2,0,1]=4 1073 B17R2.19944 Cc1ccc2nccc(c2c1)SCC(=O)N 62a_100000747473_100000751279 [0,1,0,0,0,0|2,1,0]=4 1074 B17R2.19944 Cc1ccc2nccc(c2c1)SCC(=O)[O-] 62a_100020667443_100000751279 [0,1,0,0,0,0|1,1,1]=4 1075 B17R2.19944 FC(F)COc1cccc2c1cc(cc2)Br 34a_100010089991_100011934356 [0,1,0,0,0,0|2,0,1]=4 1076 B17R2.19944 FC(F)COc1cccc2c1cc(cc2)Br 7a_100010089991_100011934356 [0,1,0,0,0,0|2,0,1]=4 1077 B17R2.19944 FC(F)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100011934356 [0,1,0,0,0,0|2,0,1]=4 1078 B17R2.19944 FC(F)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100011934356 [0,1,0,0,0,0|2,0,1]=4 1079 B17R2.19944 Fc1ccc2cccc(c2c1)OCC(F)F 34a_100009881884_100011934356 [0,1,0,0,0,0|2,0,1]=4 1080 B17R2.19944 Fc1ccc2cccc(c2c1)OCC(F)F 7a_100009881884_100011934356 [0,1,0,0,0,0|2,0,1]=4 1081 B17R2.19944 NC(=O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000187820 [0,1,0,0,0,0|2,0,0]=3 1082 B17R2.19944 NC(=O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100000187820 [0,1,0,0,0,0|2,0,0]=3 1083 B17R2.19944 NC(=O)CNc1cccc2c1cc(cn2)Br 34a_100010264086_100000187820 [0,1,0,0,0,0|3,0,0]=4 1084 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000187820 [0,1,0,0,0,0|1,0,0]=2 1085 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000187820 [0,1,0,0,0,0|1,0,0]=2 1086 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000187820 [0,1,0,0,0,0|1,0,0]=2 1087 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000187820 [0,1,0,0,0,0|1,0,0]=2 1088 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)F 34a_100009881884_100000187820 [0,1,0,0,0,0|1,0,0]=2 1089 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)F 7a_100009881884_100000187820 [0,1,0,0,0,0|1,0,0]=2 1090 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)N 34a_100132313934_100000187820 [0,1,0,0,0,0|1,0,0]=2 1091 B17R2.19944 NC(=O)COc1cccc2c1cc(cc2)N 7a_100132313934_100000187820 [0,1,0,0,0,0|1,0,0]=2 1092 B17R2.19944 NC(=O)COc1cccc2c1cc(cn2)Br 34a_200010153752_100000187820 [0,1,0,0,0,0|2,0,0]=3 1093 B17R2.19944 NC(=O)COc1cccc2c1cc(cn2)Br 7a_200010153752_100000187820 [0,1,0,0,0,0|2,0,0]=3 1094 B17R2.19944 NC(=O)COc1cccc2c1cc(cn2)N 34a_100009853962_100000187820 [0,1,0,0,0,0|2,0,0]=3 1095 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Br 34a_100010153751_100000187820 [0,1,0,0,0,0|2,0,0]=3 1096 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Br 7a_100010153751_100000187820 [0,1,0,0,0,0|2,0,0]=3 1097 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100000187820 [0,1,0,0,0,0|2,0,0]=3 1098 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100000187820 [0,1,0,0,0,0|2,0,0]=3 1099 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)N 34a_100000032106_100000187820 [0,1,0,0,0,0|2,0,0]=3 1100 B17R2.19944 NC(=O)COc1cccc2c1nc(cc2)N 7a_100000032106_100000187820 [0,1,0,0,0,0|2,0,0]=3 1101 B17R2.19944 NC(=O)COc1cccc2c1nc(nc2)Cl 34a_100010674811_100000187820 [0,1,0,0,0,0|3,0,0]=4 1102 B17R2.19944 NC(=O)COc1cccc2c1nc(nc2)Cl 7a_100010674811_100000187820 [0,1,0,0,0,0|3,0,0]=4 1103 B17R2.19944 NC(=O)COc1ccnc2c1cc(cc2)F 34a_100000004104_100000187820 [0,1,0,0,0,0|2,0,0]=3 1104 B17R2.19944 NC(=O)COc1cncc2c1cc(cc2)Br 34a_100010136424_100000187820 [0,1,0,0,0,0|2,0,0]=3 1105 B17R2.19944 NC(=O)COc1cncc2c1cc(cc2)Br 7a_100010136424_100000187820 [0,1,0,0,0,0|2,0,0]=3 1106 B17R2.19944 NC(=O)COc1nccc2c1cc(cc2)Br 34a_100000010956_100000187820 [0,1,0,0,0,0|2,0,0]=3 1107 B17R2.19944 NC(=O)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100000187820 [0,1,0,0,0,0|2,0,0]=3 1108 B17R2.19944 NC(=O)CSc1cccc2c1[nH]c(=O)cc2 62a_100000747473_100000688906 [0,1,0,0,0,0|2,1,0]=4 1109 B17R2.19944 NC(=O)CSc1cccc2c1cc(cc2)O 62a_100000747473_100010169565 [0,1,0,0,0,0|1,1,0]=3 1110 B17R2.19944 NC(=O)CSc1cccc2c1nc(cc2)Cl 62a_100000747473_100012034269 [0,1,0,0,0,0|2,1,0]=4 1111 B17R2.19944 NC(=O)CSc1cccc2c1nc(cc2)N 62a_100000687151_100000747473 [0,1,0,0,0,0|2,1,0]=4 1112 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)Br 62a_100000747473_100010189052 [0,1,0,0,0,0|2,1,0]=4 1113 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)Br 62a_100010189052_100000747473 [0,1,0,0,0,0|2,1,0]=4 1114 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)F 62a_100000747473_100011217270 [0,1,0,0,0,0|2,1,0]=4 1115 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)F 62a_100011217270_100000747473 [0,1,0,0,0,0|2,1,0]=4 1116 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)N 62a_100000747473_100009879071 [0,1,0,0,0,0|2,1,0]=4 1117 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)N 62a_100010074812_100000747473 [0,1,0,0,0,0|2,1,0]=4 1118 B17R2.19944 NC(=O)CSc1ccnc2c1cc(cc2)O 62a_100000747473_100000075933 [0,1,0,0,0,0|2,1,0]=4 1119 B17R2.19944 NC(=O)CSc1nccc2c1cc(cc2)F 62a_100000747473_100010202866 [0,1,0,0,0,0|2,1,0]=4 1120 B17R2.19944 NC(=O)CSc1nccc2c1cc(cc2)F 62a_100010202866_100000747473 [0,1,0,0,0,0|2,1,0]=4 1121 B17R2.19944 NC(=O)CSc1nccc2c1cc(cc2)O 62a_100000747473_200009844553 [0,1,0,0,0,0|2,1,0]=4 1122 B17R2.19944 Nc1ccc2cccc(c2c1)OCC(=O)[O-] 34a_100132313934_100020667443 [0,1,0,0,0,0|0,0,1]=2 1123 B17R2.19944 Nc1ccc2cccc(c2c1)OCC(F)F 34a_100132313934_100011934356 [0,1,0,0,0,0|2,0,1]=4 1124 B17R2.19944 Nc1ccc2cccc(c2c1)OCC(F)F 7a_100132313934_100011934356 [0,1,0,0,0,0|2,0,1]=4 1125 B17R2.19944 Nc1ccc2cccc(c2c1)OC[N+](=O)[O-] 34a_100132313934_100000761209 [0,1,0,0,0,0|1,0,1]=3 1126 B17R2.19944 Nc1ccc2cccc(c2n1)OCC(=O)[O-] 34a_100000032106_100020667443 [0,1,0,0,0,0|1,0,1]=3 1127 B17R2.19944 Nc1ccc2cccc(c2n1)OC[N+](=O)[O-] 34a_100000032106_100000761209 [0,1,0,0,0,0|2,0,1]=4 1128 B17R2.19944 Nc1ccc2cccc(c2n1)SCC(=O)[O-] 62a_100000687151_100020667443 [0,1,0,0,0,0|1,1,1]=4 1129 B17R2.19944 Nc1ccc2nccc(c2c1)SCC(=O)[O-] 62a_100010074812_100020667443 [0,1,0,0,0,0|1,1,1]=4 1130 B17R2.19944 Nc1ccc2nccc(c2c1)SCC(=O)[O-] 62a_100020667443_100009879071 [0,1,0,0,0,0|1,1,1]=4 1131 B17R2.19944 Nc1cnc2cccc(c2c1)OCC(=O)[O-] 34a_100009853962_100020667443 [0,1,0,0,0,0|1,0,1]=3 1132 B17R2.19944 Nc1cnc2cccc(c2c1)OC[N+](=O)[O-] 34a_100009853962_100000761209 [0,1,0,0,0,0|2,0,1]=4 1133 B17R2.19944 O=C([O-])CNc1cccc2c1cc(cc2)Br 34a_100010090012_100020667443 [0,1,0,0,0,0|1,0,1]=3 1134 B17R2.19944 O=C([O-])CNc1cccc2c1cc(cc2)O 34a_100000034012_100020667443 [0,1,0,0,0,0|1,0,1]=3 1135 B17R2.19944 O=C([O-])CNc1cccc2c1cc(cn2)Br 34a_100010264086_100020667443 [0,1,0,0,0,0|2,0,1]=4 1136 B17R2.19944 O=C([O-])COc1cccc2c1cc(cc2)Br 34a_100010089991_100020667443 [0,1,0,0,0,0|0,0,1]=2 1137 B17R2.19944 O=C([O-])COc1cccc2c1cc(cc2)Cl 34a_100009840344_100020667443 [0,1,0,0,0,0|0,0,1]=2 1138 B17R2.19944 O=C([O-])COc1cccc2c1cc(cc2)F 34a_100009881884_100020667443 [0,1,0,0,0,0|0,0,1]=2 1139 B17R2.19944 O=C([O-])COc1cccc2c1cc(cn2)Br 34a_200010153752_100020667443 [0,1,0,0,0,0|1,0,1]=3 1140 B17R2.19944 O=C([O-])COc1cccc2c1nc(cc2)Br 34a_100010153751_100020667443 [0,1,0,0,0,0|1,0,1]=3 1141 B17R2.19944 O=C([O-])COc1cccc2c1nc(cc2)Cl 34a_100000013812_100020667443 [0,1,0,0,0,0|1,0,1]=3 1142 B17R2.19944 O=C([O-])COc1cccc2c1nc(nc2)Cl 34a_100010674811_100020667443 [0,1,0,0,0,0|2,0,1]=4 1143 B17R2.19944 O=C([O-])COc1ccnc2c1cc(cc2)F 34a_100000004104_100020667443 [0,1,0,0,0,0|1,0,1]=3 1144 B17R2.19944 O=C([O-])COc1cncc2c1cc(cc2)Br 34a_100010136424_100020667443 [0,1,0,0,0,0|1,0,1]=3 1145 B17R2.19944 O=C([O-])COc1nccc2c1cc(cc2)Br 34a_100000010956_100020667443 [0,1,0,0,0,0|1,0,1]=3 1146 B17R2.19944 O=C([O-])COc1nccc2c1cc(cc2)Cl 34a_100000005406_100020667443 [0,1,0,0,0,0|1,0,1]=3 1147 B17R2.19944 O=C([O-])CSc1cccc2c1[nH]c(=O)cc2 62a_100020667443_100000688906 [0,1,0,0,0,0|1,1,1]=4 1148 B17R2.19944 O=C([O-])CSc1cccc2c1cc(cc2)O 62a_100020667443_100010169565 [0,1,0,0,0,0|0,1,1]=3 1149 B17R2.19944 O=C([O-])CSc1cccc2c1nc(cc2)Cl 62a_100020667443_100012034269 [0,1,0,0,0,0|1,1,1]=4 1150 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)Br 62a_100010189052_100020667443 [0,1,0,0,0,0|1,1,1]=4 1151 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)Br 62a_100020667443_100010189052 [0,1,0,0,0,0|1,1,1]=4 1152 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)F 62a_100011217270_100020667443 [0,1,0,0,0,0|1,1,1]=4 1153 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)F 62a_100020667443_100011217270 [0,1,0,0,0,0|1,1,1]=4 1154 B17R2.19944 O=C([O-])CSc1ccnc2c1cc(cc2)O 62a_100020667443_100000075933 [0,1,0,0,0,0|1,1,1]=4 1155 B17R2.19944 O=C([O-])CSc1nccc2c1cc(cc2)F 62a_100010202866_100020667443 [0,1,0,0,0,0|1,1,1]=4 1156 B17R2.19944 O=C([O-])CSc1nccc2c1cc(cc2)F 62a_100020667443_100010202866 [0,1,0,0,0,0|1,1,1]=4 1157 B17R2.19944 O=C([O-])CSc1nccc2c1cc(cc2)O 62a_100020667443_200009844553 [0,1,0,0,0,0|1,1,1]=4 1158 B17R2.19944 O=[N+]([O-])CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000761209 [0,1,0,0,0,0|2,0,1]=4 1159 B17R2.19944 O=[N+]([O-])CNc1cccc2c1cc(cc2)O 34a_100000034012_100000761209 [0,1,0,0,0,0|2,0,1]=4 1160 B17R2.19944 O=[N+]([O-])COc1cccc2c1cc(cc2)Br 34a_100010089991_100000761209 [0,1,0,0,0,0|1,0,1]=3 1161 B17R2.19944 O=[N+]([O-])COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000761209 [0,1,0,0,0,0|1,0,1]=3 1162 B17R2.19944 O=[N+]([O-])COc1cccc2c1cc(cc2)F 34a_100009881884_100000761209 [0,1,0,0,0,0|1,0,1]=3 1163 B17R2.19944 O=[N+]([O-])COc1cccc2c1cc(cn2)Br 34a_200010153752_100000761209 [0,1,0,0,0,0|2,0,1]=4 1164 B17R2.19944 O=[N+]([O-])COc1cccc2c1nc(cc2)Br 34a_100010153751_100000761209 [0,1,0,0,0,0|2,0,1]=4 1165 B17R2.19944 O=[N+]([O-])COc1cccc2c1nc(cc2)Cl 34a_100000013812_100000761209 [0,1,0,0,0,0|2,0,1]=4 1166 B17R2.19944 O=[N+]([O-])COc1ccnc2c1cc(cc2)F 34a_100000004104_100000761209 [0,1,0,0,0,0|2,0,1]=4 1167 B17R2.19944 O=[N+]([O-])COc1cncc2c1cc(cc2)Br 34a_100010136424_100000761209 [0,1,0,0,0,0|2,0,1]=4 1168 B17R2.19944 O=[N+]([O-])COc1nccc2c1cc(cc2)Br 34a_100000010956_100000761209 [0,1,0,0,0,0|2,0,1]=4 1169 B17R2.19944 O=[N+]([O-])COc1nccc2c1cc(cc2)Cl 34a_100000005406_100000761209 [0,1,0,0,0,0|2,0,1]=4 1170 B17R2.37520 C=C(C)CNc1cccc2c1cccc2Br 34a_100009816864_100000748629 [0,1,0,0,0,0|3,0,0]=4 1171 B17R2.37520 C=C(C)CNc1cccc2c1cccc2Cl 34a_100000077128_100000748629 [0,1,0,0,0,0|3,0,0]=4 1172 B17R2.37520 C=C(C)CNc1cccc2c1cccc2O 34a_100000210686_100000748629 [0,1,0,0,0,0|3,0,0]=4 1173 B17R2.37520 C=C(C)COc1cccc2c1cccc2Br 34a_100010003857_100000748629 [0,1,0,0,0,0|2,0,0]=3 1174 B17R2.37520 C=C(C)COc1cccc2c1cccc2Br 7a_100010003857_100000748629 [0,1,0,0,0,0|2,0,0]=3 1175 B17R2.37520 C=C(C)COc1cccc2c1cccc2N 34a_100000210686_100000748629 [0,1,0,0,0,0|2,0,0]=3 1176 B17R2.37520 C=C(C)COc1cccc2c1nccc2Br 34a_100000703299_100000748629 [0,1,0,0,0,0|3,0,0]=4 1177 B17R2.37520 C=C(C)COc1cccc2c1nccc2Br 7a_100000703299_100000748629 [0,1,0,0,0,0|3,0,0]=4 1178 B17R2.37520 C=C(C)COc1cccc2c1nccc2C 7a_100000702989_100000748629 [0,1,0,0,0,0|3,0,0]=4 1179 B17R2.37520 C=C(C)COc1ccnc2c1cccc2F 34a_100000709910_100000748629 [0,1,0,0,0,0|3,0,0]=4 1180 B17R2.37520 C=C(C)CSc1cccc2c1cccc2F 62a_100000748629_100009817034 [0,1,0,0,0,0|2,1,0]=4 1181 B17R2.37520 C=C(C)CSc1cccc2c1cccc2F 62a_100009817034_100000211660 [0,1,0,0,0,0|2,1,0]=4 1182 B17R2.37520 C=C(C)CSc1cccc2c1cccc2N 62a_100009816864_100000211660 [0,1,0,0,0,0|2,1,0]=4 1183 B17R2.37520 C=C(C)CSc1cccc2c1cccc2O 62a_100000748629_100010003857 [0,1,0,0,0,0|2,1,0]=4 1184 B17R2.37520 C=C(F)CNc1cccc2c1cccc2Br 34a_100009816864_100009893438 [0,1,0,0,0,0|3,0,0]=4 1185 B17R2.37520 C=C(F)CNc1cccc2c1cccc2Cl 34a_100000077128_100009893438 [0,1,0,0,0,0|3,0,0]=4 1186 B17R2.37520 C=C(F)CNc1cccc2c1cccc2O 34a_100000210686_100009893438 [0,1,0,0,0,0|3,0,0]=4 1187 B17R2.37520 C=C(F)COc1cccc2c1cccc2Br 34a_100010003857_100009893438 [0,1,0,0,0,0|2,0,0]=3 1188 B17R2.37520 C=C(F)COc1cccc2c1cccc2Br 7a_100010003857_100000042424 [0,1,0,0,0,0|2,0,0]=3 1189 B17R2.37520 C=C(F)COc1cccc2c1cccc2N 34a_100000210686_100009893438 [0,1,0,0,0,0|2,0,0]=3 1190 B17R2.37520 C=C(F)COc1cccc2c1nccc2Br 34a_100000703299_100009893438 [0,1,0,0,0,0|3,0,0]=4 1191 B17R2.37520 C=C(F)COc1cccc2c1nccc2Br 7a_100000703299_100000042424 [0,1,0,0,0,0|3,0,0]=4 1192 B17R2.37520 C=C(F)COc1cccc2c1nccc2C 7a_100000702989_100000042424 [0,1,0,0,0,0|3,0,0]=4 1193 B17R2.37520 C=C(F)COc1ccnc2c1cccc2F 34a_100000709910_100009893438 [0,1,0,0,0,0|3,0,0]=4 1194 B17R2.37520 C=C(F)CSc1cccc2c1cccc2F 62a_100000042424_100009817034 [0,1,0,0,0,0|2,1,0]=4 1195 B17R2.37520 C=C(F)CSc1cccc2c1cccc2F 62a_100009817034_100000042424 [0,1,0,0,0,0|2,1,0]=4 1196 B17R2.37520 C=C(F)CSc1cccc2c1cccc2N 62a_100009816864_100000042424 [0,1,0,0,0,0|2,1,0]=4 1197 B17R2.37520 C=C(F)CSc1cccc2c1cccc2O 62a_100000042424_100010003857 [0,1,0,0,0,0|2,1,0]=4 1198 B17R2.37520 CC(C)COc1cccc2c1cccc2Br 34a_100010003857_100000210624 [0,1,0,0,0,0|2,0,1]=4 1199 B17R2.37520 CC(C)COc1cccc2c1cccc2Br 7a_100010003857_100000210760 [0,1,0,0,0,0|2,0,1]=4 1200 B17R2.37520 CC(C)COc1cccc2c1cccc2N 34a_100000210686_100000210624 [0,1,0,0,0,0|2,0,1]=4 1201 B17R2.37520 CC(O)CNc1cccc2c1cccc2Br 34a_100009816864_100011218427 [0,1,0,0,0,0|2,0,1]=4 1202 B17R2.37520 CC(O)CNc1cccc2c1cccc2Cl 34a_100000077128_100011218427 [0,1,0,0,0,0|2,0,1]=4 1203 B17R2.37520 CC(O)CNc1cccc2c1cccc2O 34a_100000210686_100011218427 [0,1,0,0,0,0|2,0,1]=4 1204 B17R2.37520 CC(O)COc1cccc2c1cccc2Br 34a_100010003857_100011218427 [0,1,0,0,0,0|1,0,1]=3 1205 B17R2.37520 CC(O)COc1cccc2c1cccc2Br 7a_100010003857_100011218427 [0,1,0,0,0,0|1,0,1]=3 1206 B17R2.37520 CC(O)COc1cccc2c1cccc2N 34a_100000210686_100011218427 [0,1,0,0,0,0|1,0,1]=3 1207 B17R2.37520 CC(O)COc1cccc2c1nccc2Br 34a_100000703299_100011218427 [0,1,0,0,0,0|2,0,1]=4 1208 B17R2.37520 CC(O)COc1cccc2c1nccc2Br 7a_100000703299_100011218427 [0,1,0,0,0,0|2,0,1]=4 1209 B17R2.37520 CC(O)COc1ccnc2c1cccc2F 34a_100000709910_100011218427 [0,1,0,0,0,0|2,0,1]=4 1210 B17R2.37520 CC(O)CSc1cccc2c1cccc2F 62a_100009817034_100011218427 [0,1,0,0,0,0|1,1,1]=4 1211 B17R2.37520 CC(O)CSc1cccc2c1cccc2F 62a_100011218427_100009817034 [0,1,0,0,0,0|1,1,1]=4 1212 B17R2.37520 CC(O)CSc1cccc2c1cccc2N 62a_100009816864_100011218427 [0,1,0,0,0,0|1,1,1]=4 1213 B17R2.37520 CC(O)CSc1cccc2c1cccc2O 62a_100011218427_100010003857 [0,1,0,0,0,0|1,1,1]=4 1214 B17R2.37520 C[C@@H](O)CNc1cccc2c1cccc2Br 34a_100009816864_100009817552 [0,1,0,0,0,0|2,0,1]=4 1215 B17R2.37520 C[C@@H](O)CNc1cccc2c1cccc2Cl 34a_100000077128_100009817552 [0,1,0,0,0,0|2,0,1]=4 1216 B17R2.37520 C[C@@H](O)CNc1cccc2c1cccc2O 34a_100000210686_100009817552 [0,1,0,0,0,0|2,0,1]=4 1217 B17R2.37520 C[C@@H](O)COc1cccc2c1cccc2Br 34a_100010003857_100009817552 [0,1,0,0,0,0|1,0,1]=3 1218 B17R2.37520 C[C@@H](O)COc1cccc2c1cccc2Br 7a_100010003857_100009817552 [0,1,0,0,0,0|1,0,1]=3 1219 B17R2.37520 C[C@@H](O)COc1cccc2c1cccc2N 34a_100000210686_100009817552 [0,1,0,0,0,0|1,0,1]=3 1220 B17R2.37520 C[C@@H](O)COc1cccc2c1nccc2Br 34a_100000703299_100009817552 [0,1,0,0,0,0|2,0,1]=4 1221 B17R2.37520 C[C@@H](O)COc1cccc2c1nccc2Br 7a_100000703299_100009817552 [0,1,0,0,0,0|2,0,1]=4 1222 B17R2.37520 C[C@@H](O)COc1ccnc2c1cccc2F 34a_100000709910_100009817552 [0,1,0,0,0,0|2,0,1]=4 1223 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2F 62a_100009817034_100009817552 [0,1,0,0,0,0|1,1,1]=4 1224 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2F 62a_100009817552_100009817034 [0,1,0,0,0,0|1,1,1]=4 1225 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2N 62a_100009816864_100009817552 [0,1,0,0,0,0|1,1,1]=4 1226 B17R2.37520 C[C@@H](O)CSc1cccc2c1cccc2O 62a_100009817552_100010003857 [0,1,0,0,0,0|1,1,1]=4 1227 B17R2.37520 C[n+]1cccc2c1cccc2NCC(=O)N 34a_200021579679_100000187820 [0,1,0,0,0,0|3,0,0]=4 1228 B17R2.37520 C[n+]1cccc2c1cccc2NCC(=O)[O-] 34a_200021579679_100020667443 [0,1,0,0,0,0|2,0,1]=4 1229 B17R2.37520 Cc1cccc2c1ccnc2SCC(=O)N 62a_100000747473_100012002547 [0,1,0,0,0,0|2,1,0]=4 1230 B17R2.37520 Cc1cccc2c1ccnc2SCC(=O)[O-] 62a_100020667443_100012002547 [0,1,0,0,0,0|1,1,1]=4 1231 B17R2.37520 Cc1cccc2c1nccc2SCC(=O)N 62a_100000747473_100000751276 [0,1,0,0,0,0|2,1,0]=4 1232 B17R2.37520 Cc1cccc2c1nccc2SCC(=O)[O-] 62a_100020667443_100000751276 [0,1,0,0,0,0|1,1,1]=4 1233 B17R2.37520 Cc1ccnc2c1cccc2NCC(=O)N 34a_100011934384_100000187820 [0,1,0,0,0,0|3,0,0]=4 1234 B17R2.37520 Cc1ccnc2c1cccc2NCC(=O)[O-] 34a_100011934384_100020667443 [0,1,0,0,0,0|2,0,1]=4 1235 B17R2.37520 Cc1ccnc2c1cccc2OCC(=O)N 7a_100000702989_100000187820 [0,1,0,0,0,0|2,0,0]=3 1236 B17R2.37520 Cc1ccnc2c1cccc2OCC(C)O 7a_100000702989_100011218427 [0,1,0,0,0,0|2,0,1]=4 1237 B17R2.37520 Cc1ccnc2c1cccc2OC[C@@H](C)O 7a_100000702989_100009817552 [0,1,0,0,0,0|2,0,1]=4 1238 B17R2.37520 Cc1ccnc2c1cccc2SCC(=O)N 62a_100000747473_100010254272 [0,1,0,0,0,0|2,1,0]=4 1239 B17R2.37520 Cc1ccnc2c1cccc2SCC(=O)[O-] 62a_100020667443_100010254272 [0,1,0,0,0,0|1,1,1]=4 1240 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)N 62a_100000747473_100010137443 [0,1,0,0,0,0|2,1,0]=4 1241 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)N 62a_100010137443_100000747473 [0,1,0,0,0,0|2,1,0]=4 1242 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)[O-] 62a_100010137443_100020667443 [0,1,0,0,0,0|1,1,1]=4 1243 B17R2.37520 Cc1nccc2c1cccc2SCC(=O)[O-] 62a_100020667443_100010137443 [0,1,0,0,0,0|1,1,1]=4 1244 B17R2.37520 FC(F)COc1cccc2c1cccc2Br 34a_100010003857_100011934356 [0,1,0,0,0,0|2,0,1]=4 1245 B17R2.37520 FC(F)COc1cccc2c1cccc2Br 7a_100010003857_100011934356 [0,1,0,0,0,0|2,0,1]=4 1246 B17R2.37520 NC(=O)CNc1cccc2c1cccc2Br 34a_100009816864_100000187820 [0,1,0,0,0,0|2,0,0]=3 1247 B17R2.37520 NC(=O)CNc1cccc2c1cccc2Cl 34a_100000077128_100000187820 [0,1,0,0,0,0|2,0,0]=3 1248 B17R2.37520 NC(=O)CNc1cccc2c1cccc2O 34a_100000210686_100000187820 [0,1,0,0,0,0|2,0,0]=3 1249 B17R2.37520 NC(=O)CNc1cccc2c1ccnc2Cl 34a_100000070072_100000187820 [0,1,0,0,0,0|3,0,0]=4 1250 B17R2.37520 NC(=O)CNc1cccc2c1nccc2Cl 34a_100009892510_100000187820 [0,1,0,0,0,0|3,0,0]=4 1251 B17R2.37520 NC(=O)COc1cccc2c1cccc2Br 34a_100010003857_100000187820 [0,1,0,0,0,0|1,0,0]=2 1252 B17R2.37520 NC(=O)COc1cccc2c1cccc2Br 7a_100010003857_100000187820 [0,1,0,0,0,0|1,0,0]=2 1253 B17R2.37520 NC(=O)COc1cccc2c1cccc2N 34a_100000210686_100000187820 [0,1,0,0,0,0|1,0,0]=2 1254 B17R2.37520 NC(=O)COc1cccc2c1nccc2Br 34a_100000703299_100000187820 [0,1,0,0,0,0|2,0,0]=3 1255 B17R2.37520 NC(=O)COc1cccc2c1nccc2Br 7a_100000703299_100000187820 [0,1,0,0,0,0|2,0,0]=3 1256 B17R2.37520 NC(=O)COc1ccnc2c1cccc2F 34a_100000709910_100000187820 [0,1,0,0,0,0|2,0,0]=3 1257 B17R2.37520 NC(=O)CSc1cccc2c1cc[nH]c2=O 62a_100000747473_100000703947 [0,1,0,0,0,0|2,1,0]=4 1258 B17R2.37520 NC(=O)CSc1cccc2c1cccc2F 62a_100000747473_100009817034 [0,1,0,0,0,0|1,1,0]=3 1259 B17R2.37520 NC(=O)CSc1cccc2c1cccc2F 62a_100009817034_100000747473 [0,1,0,0,0,0|1,1,0]=3 1260 B17R2.37520 NC(=O)CSc1cccc2c1cccc2N 62a_100009816864_100000747473 [0,1,0,0,0,0|1,1,0]=3 1261 B17R2.37520 NC(=O)CSc1cccc2c1cccc2O 62a_100000747473_100010003857 [0,1,0,0,0,0|1,1,0]=3 1262 B17R2.37520 NC(=O)CSc1cccc2c1ccnc2Cl 62a_100000747473_100010080171 [0,1,0,0,0,0|2,1,0]=4 1263 B17R2.37520 NC(=O)CSc1cccc2c1ccnc2N 62a_103549770558_100000747473 [0,1,0,0,0,0|2,1,0]=4 1264 B17R2.37520 NC(=O)CSc1cccc2c1nccc2N 62a_100000747473_100011620713 [0,1,0,0,0,0|2,1,0]=4 1265 B17R2.37520 NC(=O)CSc1cccc2c1nccc2N 62a_100011620713_100000747473 [0,1,0,0,0,0|2,1,0]=4 1266 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2F 62a_100000747473_100011934723 [0,1,0,0,0,0|2,1,0]=4 1267 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2F 62a_100011934723_100000747473 [0,1,0,0,0,0|2,1,0]=4 1268 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2N 62a_100000747473_100009892510 [0,1,0,0,0,0|2,1,0]=4 1269 B17R2.37520 NC(=O)CSc1ccnc2c1cccc2O 62a_100000747473_100000703299 [0,1,0,0,0,0|2,1,0]=4 1270 B17R2.37520 NC(=O)CSc1cncc2c1cccc2F 62a_100000747473_100010740057 [0,1,0,0,0,0|2,1,0]=4 1271 B17R2.37520 NC(=O)CSc1cncc2c1cccc2F 62a_100010740057_100000747473 [0,1,0,0,0,0|2,1,0]=4 1272 B17R2.37520 NC(=O)CSc1nccc2c1cccc2F 62a_100000747473_100012180906 [0,1,0,0,0,0|2,1,0]=4 1273 B17R2.37520 NC(=O)CSc1nccc2c1cccc2N 62a_100000747473_100000070072 [0,1,0,0,0,0|2,1,0]=4 1274 B17R2.37520 Nc1cccc2c1cccc2OCC(=O)[O-] 34a_100000210686_100020667443 [0,1,0,0,0,0|0,0,1]=2 1275 B17R2.37520 Nc1cccc2c1cccc2OCC(F)F 34a_100000210686_100011934356 [0,1,0,0,0,0|2,0,1]=4 1276 B17R2.37520 Nc1cccc2c1cccc2OC[N+](=O)[O-] 34a_100000210686_100000761209 [0,1,0,0,0,0|1,0,1]=3 1277 B17R2.37520 Nc1cccc2c1cccc2SCC(=O)[O-] 62a_100009816864_100020667443 [0,1,0,0,0,0|0,1,1]=3 1278 B17R2.37520 Nc1cccc2c1cccc2SC[N+](=O)[O-] 62a_100009816864_100000761209 [0,1,0,0,0,0|1,1,1]=4 1279 B17R2.37520 Nc1cccc2c1ccnc2SCC(=O)[O-] 62a_100020667443_100000070072 [0,1,0,0,0,0|1,1,1]=4 1280 B17R2.37520 Nc1cccc2c1nccc2SCC(=O)[O-] 62a_100020667443_100009892510 [0,1,0,0,0,0|1,1,1]=4 1281 B17R2.37520 Nc1ccnc2c1cccc2SCC(=O)[O-] 62a_100011620713_100020667443 [0,1,0,0,0,0|1,1,1]=4 1282 B17R2.37520 Nc1ccnc2c1cccc2SCC(=O)[O-] 62a_100020667443_100011620713 [0,1,0,0,0,0|1,1,1]=4 1283 B17R2.37520 Nc1nccc2c1cccc2SCC(=O)[O-] 62a_103549770558_100020667443 [0,1,0,0,0,0|1,1,1]=4 1284 B17R2.37520 O=C([O-])CNc1cccc2c1cccc2Br 34a_100009816864_100020667443 [0,1,0,0,0,0|1,0,1]=3 1285 B17R2.37520 O=C([O-])CNc1cccc2c1cccc2Cl 34a_100000077128_100020667443 [0,1,0,0,0,0|1,0,1]=3 1286 B17R2.37520 O=C([O-])CNc1cccc2c1cccc2O 34a_100000210686_100020667443 [0,1,0,0,0,0|1,0,1]=3 1287 B17R2.37520 O=C([O-])CNc1cccc2c1ccnc2Cl 34a_100000070072_100020667443 [0,1,0,0,0,0|2,0,1]=4 1288 B17R2.37520 O=C([O-])CNc1cccc2c1nccc2Cl 34a_100009892510_100020667443 [0,1,0,0,0,0|2,0,1]=4 1289 B17R2.37520 O=C([O-])COc1cccc2c1cccc2Br 34a_100010003857_100020667443 [0,1,0,0,0,0|0,0,1]=2 1290 B17R2.37520 O=C([O-])COc1cccc2c1nccc2Br 34a_100000703299_100020667443 [0,1,0,0,0,0|1,0,1]=3 1291 B17R2.37520 O=C([O-])COc1ccnc2c1cccc2F 34a_100000709910_100020667443 [0,1,0,0,0,0|1,0,1]=3 1292 B17R2.37520 O=C([O-])CSc1cccc2c1cc[nH]c2=O 62a_100020667443_100000703947 [0,1,0,0,0,0|1,1,1]=4 1293 B17R2.37520 O=C([O-])CSc1cccc2c1cccc2F 62a_100009817034_100020667443 [0,1,0,0,0,0|0,1,1]=3 1294 B17R2.37520 O=C([O-])CSc1cccc2c1cccc2F 62a_100020667443_100009817034 [0,1,0,0,0,0|0,1,1]=3 1295 B17R2.37520 O=C([O-])CSc1cccc2c1cccc2O 62a_100020667443_100010003857 [0,1,0,0,0,0|0,1,1]=3 1296 B17R2.37520 O=C([O-])CSc1cccc2c1ccnc2Cl 62a_100020667443_100010080171 [0,1,0,0,0,0|1,1,1]=4 1297 B17R2.37520 O=C([O-])CSc1ccnc2c1cccc2F 62a_100011934723_100020667443 [0,1,0,0,0,0|1,1,1]=4 1298 B17R2.37520 O=C([O-])CSc1ccnc2c1cccc2F 62a_100020667443_100011934723 [0,1,0,0,0,0|1,1,1]=4 1299 B17R2.37520 O=C([O-])CSc1ccnc2c1cccc2O 62a_100020667443_100000703299 [0,1,0,0,0,0|1,1,1]=4 1300 B17R2.37520 O=C([O-])CSc1cncc2c1cccc2F 62a_100010740057_100020667443 [0,1,0,0,0,0|1,1,1]=4 1301 B17R2.37520 O=C([O-])CSc1cncc2c1cccc2F 62a_100020667443_100010740057 [0,1,0,0,0,0|1,1,1]=4 1302 B17R2.37520 O=C([O-])CSc1nccc2c1cccc2F 62a_100020667443_100012180906 [0,1,0,0,0,0|1,1,1]=4 1303 B17R2.37520 O=[N+]([O-])CNc1cccc2c1cccc2Br 34a_100009816864_100000761209 [0,1,0,0,0,0|2,0,1]=4 1304 B17R2.37520 O=[N+]([O-])CNc1cccc2c1cccc2Cl 34a_100000077128_100000761209 [0,1,0,0,0,0|2,0,1]=4 1305 B17R2.37520 O=[N+]([O-])CNc1cccc2c1cccc2O 34a_100000210686_100000761209 [0,1,0,0,0,0|2,0,1]=4 1306 B17R2.37520 O=[N+]([O-])COc1cccc2c1cccc2Br 34a_100010003857_100000761209 [0,1,0,0,0,0|1,0,1]=3 1307 B17R2.37520 O=[N+]([O-])COc1cccc2c1nccc2Br 34a_100000703299_100000761209 [0,1,0,0,0,0|2,0,1]=4 1308 B17R2.37520 O=[N+]([O-])COc1ccnc2c1cccc2F 34a_100000709910_100000761209 [0,1,0,0,0,0|2,0,1]=4 1309 B17R2.37520 O=[N+]([O-])CSc1cccc2c1cccc2F 62a_100009817034_100000761209 [0,1,0,0,0,0|1,1,1]=4 1310 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000748629 [0,1,0,0,0,0|3,0,0]=4 1311 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000748629 [0,1,0,0,0,0|3,0,0]=4 1312 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)F 34a_100011988692_100000748629 [0,1,0,0,0,0|3,0,0]=4 1313 B17R2.39629 C=C(C)CNc1ccc(c2c1cccc2)O 34a_100000705857_100000748629 [0,1,0,0,0,0|3,0,0]=4 1314 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000748629 [0,1,0,0,0,0|2,0,0]=3 1315 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000748629 [0,1,0,0,0,0|2,0,0]=3 1316 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)C 34a_100000074455_100000748629 [0,1,0,0,0,0|2,0,0]=3 1317 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)C 7a_100000074455_100000748629 [0,1,0,0,0,0|2,0,0]=3 1318 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000748629 [0,1,0,0,0,0|2,0,0]=3 1319 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000748629 [0,1,0,0,0,0|2,0,0]=3 1320 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)F 34a_100000100223_100000748629 [0,1,0,0,0,0|2,0,0]=3 1321 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)F 7a_100000100223_100000748629 [0,1,0,0,0,0|2,0,0]=3 1322 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)N 34a_100000705857_100000748629 [0,1,0,0,0,0|2,0,0]=3 1323 B17R2.39629 C=C(C)COc1ccc(c2c1cccc2)N 7a_100000705857_100000748629 [0,1,0,0,0,0|2,0,0]=3 1324 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)Br 34a_100011934063_100000748629 [0,1,0,0,0,0|3,0,0]=4 1325 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)Br 7a_100011934063_100000748629 [0,1,0,0,0,0|3,0,0]=4 1326 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)C 34a_100000058672_100000748629 [0,1,0,0,0,0|3,0,0]=4 1327 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)C 7a_100000058672_100000748629 [0,1,0,0,0,0|3,0,0]=4 1328 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100000748629 [0,1,0,0,0,0|3,0,0]=4 1329 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100000748629 [0,1,0,0,0,0|3,0,0]=4 1330 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)F 34a_100000034212_100000748629 [0,1,0,0,0,0|3,0,0]=4 1331 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)F 7a_100000034212_100000748629 [0,1,0,0,0,0|3,0,0]=4 1332 B17R2.39629 C=C(C)COc1ccc(c2c1nccc2)N 34a_100000188197_100000748629 [0,1,0,0,0,0|3,0,0]=4 1333 B17R2.39629 C=C(C)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100000748629 [0,1,0,0,0,0|3,0,0]=4 1334 B17R2.39629 C=C(C)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100000748629 [0,1,0,0,0,0|3,0,0]=4 1335 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)C 62a_100000748629_100011215156 [0,1,0,0,0,0|2,1,0]=4 1336 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)C 62a_100011215156_100000211660 [0,1,0,0,0,0|2,1,0]=4 1337 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)F 62a_100000748629_100011218216 [0,1,0,0,0,0|2,1,0]=4 1338 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000211660 [0,1,0,0,0,0|2,1,0]=4 1339 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000211660 [0,1,0,0,0,0|2,1,0]=4 1340 B17R2.39629 C=C(C)CSc1ccc(c2c1cccc2)O 62a_100000748629_100000186334 [0,1,0,0,0,0|2,1,0]=4 1341 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100009893438 [0,1,0,0,0,0|3,0,0]=4 1342 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100009893438 [0,1,0,0,0,0|3,0,0]=4 1343 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)F 34a_100011988692_100009893438 [0,1,0,0,0,0|3,0,0]=4 1344 B17R2.39629 C=C(F)CNc1ccc(c2c1cccc2)O 34a_100000705857_100009893438 [0,1,0,0,0,0|3,0,0]=4 1345 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Br 34a_100000186334_100009893438 [0,1,0,0,0,0|2,0,0]=3 1346 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000042424 [0,1,0,0,0,0|2,0,0]=3 1347 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)C 34a_100000074455_100009893438 [0,1,0,0,0,0|2,0,0]=3 1348 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)C 7a_100000074455_100000042424 [0,1,0,0,0,0|2,0,0]=3 1349 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100009893438 [0,1,0,0,0,0|2,0,0]=3 1350 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000042424 [0,1,0,0,0,0|2,0,0]=3 1351 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)F 34a_100000100223_100009893438 [0,1,0,0,0,0|2,0,0]=3 1352 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)F 7a_100000100223_100000042424 [0,1,0,0,0,0|2,0,0]=3 1353 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)N 34a_100000705857_100009893438 [0,1,0,0,0,0|2,0,0]=3 1354 B17R2.39629 C=C(F)COc1ccc(c2c1cccc2)N 7a_100000705857_100000042424 [0,1,0,0,0,0|2,0,0]=3 1355 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)Br 34a_100011934063_100009893438 [0,1,0,0,0,0|3,0,0]=4 1356 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)Br 7a_100011934063_100000042424 [0,1,0,0,0,0|3,0,0]=4 1357 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)C 34a_100000058672_100009893438 [0,1,0,0,0,0|3,0,0]=4 1358 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)C 7a_100000058672_100000042424 [0,1,0,0,0,0|3,0,0]=4 1359 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100009893438 [0,1,0,0,0,0|3,0,0]=4 1360 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100000042424 [0,1,0,0,0,0|3,0,0]=4 1361 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)F 34a_100000034212_100009893438 [0,1,0,0,0,0|3,0,0]=4 1362 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)F 7a_100000034212_100000042424 [0,1,0,0,0,0|3,0,0]=4 1363 B17R2.39629 C=C(F)COc1ccc(c2c1nccc2)N 34a_100000188197_100009893438 [0,1,0,0,0,0|3,0,0]=4 1364 B17R2.39629 C=C(F)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100009893438 [0,1,0,0,0,0|3,0,0]=4 1365 B17R2.39629 C=C(F)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100000042424 [0,1,0,0,0,0|3,0,0]=4 1366 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)C 62a_100000042424_100011215156 [0,1,0,0,0,0|2,1,0]=4 1367 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)C 62a_100011215156_100000042424 [0,1,0,0,0,0|2,1,0]=4 1368 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)F 62a_100000042424_100011218216 [0,1,0,0,0,0|2,1,0]=4 1369 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000042424 [0,1,0,0,0,0|2,1,0]=4 1370 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000042424 [0,1,0,0,0,0|2,1,0]=4 1371 B17R2.39629 C=C(F)CSc1ccc(c2c1cccc2)O 62a_100000042424_100000186334 [0,1,0,0,0,0|2,1,0]=4 1372 B17R2.39629 CC(=O)CCc1ccc(c2c1cccc2)C 1458a_200010294770_200000210301 [0,1,0,0,0,0|2,0,0]=3 1373 B17R2.39629 CC(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_200000210301 [0,1,0,0,0,0|1,0,0]=2 1374 B17R2.39629 CC(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_200000210301 [0,1,0,0,0,0|1,0,0]=2 1375 B17R2.39629 CC(=O)COc1ccc(c2c1nccc2)Cl 1458a_100000246055_200000210301 [0,1,0,0,0,0|2,0,0]=3 1376 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 11a_100016995114_100015343762 [0,1,0,0,0,0|3,0,0]=4 1377 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 1626a_100016995114_100015343762 [0,1,0,0,0,0|3,0,0]=4 1378 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 240690a_100016995114_100015343762 [0,1,0,0,0,0|3,0,0]=4 1379 B17R2.39629 CC(=O)NCc1ccc(c2c1cccc2)Br 527a_100016995114_100103153847 [0,1,0,0,0,0|3,0,0]=4 1380 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000210624 [0,1,0,0,0,0|2,0,1]=4 1381 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000210760 [0,1,0,0,0,0|2,0,1]=4 1382 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000210624 [0,1,0,0,0,0|2,0,1]=4 1383 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000210760 [0,1,0,0,0,0|2,0,1]=4 1384 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)F 34a_100000100223_100000210624 [0,1,0,0,0,0|2,0,1]=4 1385 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)F 7a_100000100223_100000210760 [0,1,0,0,0,0|2,0,1]=4 1386 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)N 34a_100000705857_100000210624 [0,1,0,0,0,0|2,0,1]=4 1387 B17R2.39629 CC(C)COc1ccc(c2c1cccc2)N 7a_100000705857_100000210760 [0,1,0,0,0,0|2,0,1]=4 1388 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100011218427 [0,1,0,0,0,0|2,0,1]=4 1389 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100011218427 [0,1,0,0,0,0|2,0,1]=4 1390 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100011218427 [0,1,0,0,0,0|2,0,1]=4 1391 B17R2.39629 CC(O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100011218427 [0,1,0,0,0,0|2,0,1]=4 1392 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100011218427 [0,1,0,0,0,0|1,0,1]=3 1393 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100011218427 [0,1,0,0,0,0|1,0,1]=3 1394 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100011218427 [0,1,0,0,0,0|1,0,1]=3 1395 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100011218427 [0,1,0,0,0,0|1,0,1]=3 1396 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)F 34a_100000100223_100011218427 [0,1,0,0,0,0|1,0,1]=3 1397 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)F 7a_100000100223_100011218427 [0,1,0,0,0,0|1,0,1]=3 1398 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)N 34a_100000705857_100011218427 [0,1,0,0,0,0|1,0,1]=3 1399 B17R2.39629 CC(O)COc1ccc(c2c1cccc2)N 7a_100000705857_100011218427 [0,1,0,0,0,0|1,0,1]=3 1400 B17R2.39629 CC(O)COc1ccc(c2c1nccc2)Br 34a_100011934063_100011218427 [0,1,0,0,0,0|2,0,1]=4 1401 B17R2.39629 CC(O)COc1ccc(c2c1nccc2)Br 7a_100011934063_100011218427 [0,1,0,0,0,0|2,0,1]=4 1402 B17R2.39629 CC(O)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100011218427 [0,1,0,0,0,0|2,0,1]=4 1403 B17R2.39629 CC(O)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100011218427 [0,1,0,0,0,0|2,0,1]=4 1404 B17R2.39629 CC(O)COc1ccc(c2c1nccc2)F 34a_100000034212_100011218427 [0,1,0,0,0,0|2,0,1]=4 1405 B17R2.39629 CC(O)COc1ccc(c2c1nccc2)F 7a_100000034212_100011218427 [0,1,0,0,0,0|2,0,1]=4 1406 B17R2.39629 CC(O)COc1ccc(c2c1nccc2)N 34a_100000188197_100011218427 [0,1,0,0,0,0|2,0,1]=4 1407 B17R2.39629 CC(O)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100011218427 [0,1,0,0,0,0|2,0,1]=4 1408 B17R2.39629 CC(O)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100011218427 [0,1,0,0,0,0|2,0,1]=4 1409 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)Br 62a_100011218427_100012339872 [0,1,0,0,0,0|1,1,1]=4 1410 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100011218427 [0,1,0,0,0,0|1,1,1]=4 1411 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100011218427 [0,1,0,0,0,0|1,1,1]=4 1412 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)F 62a_100011218427_100011218216 [0,1,0,0,0,0|1,1,1]=4 1413 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100011218427 [0,1,0,0,0,0|1,1,1]=4 1414 B17R2.39629 CC(O)CSc1ccc(c2c1cccc2)O 62a_100011218427_100000186334 [0,1,0,0,0,0|1,1,1]=4 1415 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100009817552 [0,1,0,0,0,0|2,0,1]=4 1416 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100009817552 [0,1,0,0,0,0|2,0,1]=4 1417 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100009817552 [0,1,0,0,0,0|2,0,1]=4 1418 B17R2.39629 C[C@@H](O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100009817552 [0,1,0,0,0,0|2,0,1]=4 1419 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100009817552 [0,1,0,0,0,0|1,0,1]=3 1420 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100009817552 [0,1,0,0,0,0|1,0,1]=3 1421 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100009817552 [0,1,0,0,0,0|1,0,1]=3 1422 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100009817552 [0,1,0,0,0,0|1,0,1]=3 1423 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)F 34a_100000100223_100009817552 [0,1,0,0,0,0|1,0,1]=3 1424 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)F 7a_100000100223_100009817552 [0,1,0,0,0,0|1,0,1]=3 1425 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)N 34a_100000705857_100009817552 [0,1,0,0,0,0|1,0,1]=3 1426 B17R2.39629 C[C@@H](O)COc1ccc(c2c1cccc2)N 7a_100000705857_100009817552 [0,1,0,0,0,0|1,0,1]=3 1427 B17R2.39629 C[C@@H](O)COc1ccc(c2c1nccc2)Br 34a_100011934063_100009817552 [0,1,0,0,0,0|2,0,1]=4 1428 B17R2.39629 C[C@@H](O)COc1ccc(c2c1nccc2)Br 7a_100011934063_100009817552 [0,1,0,0,0,0|2,0,1]=4 1429 B17R2.39629 C[C@@H](O)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100009817552 [0,1,0,0,0,0|2,0,1]=4 1430 B17R2.39629 C[C@@H](O)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100009817552 [0,1,0,0,0,0|2,0,1]=4 1431 B17R2.39629 C[C@@H](O)COc1ccc(c2c1nccc2)F 34a_100000034212_100009817552 [0,1,0,0,0,0|2,0,1]=4 1432 B17R2.39629 C[C@@H](O)COc1ccc(c2c1nccc2)F 7a_100000034212_100009817552 [0,1,0,0,0,0|2,0,1]=4 1433 B17R2.39629 C[C@@H](O)COc1ccc(c2c1nccc2)N 34a_100000188197_100009817552 [0,1,0,0,0,0|2,0,1]=4 1434 B17R2.39629 C[C@@H](O)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100009817552 [0,1,0,0,0,0|2,0,1]=4 1435 B17R2.39629 C[C@@H](O)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100009817552 [0,1,0,0,0,0|2,0,1]=4 1436 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)Br 62a_100009817552_100012339872 [0,1,0,0,0,0|1,1,1]=4 1437 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100009817552 [0,1,0,0,0,0|1,1,1]=4 1438 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)F 62a_100009817552_100011218216 [0,1,0,0,0,0|1,1,1]=4 1439 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100009817552 [0,1,0,0,0,0|1,1,1]=4 1440 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100009817552 [0,1,0,0,0,0|1,1,1]=4 1441 B17R2.39629 C[C@@H](O)CSc1ccc(c2c1cccc2)O 62a_100009817552_100000186334 [0,1,0,0,0,0|1,1,1]=4 1442 B17R2.39629 Cc1ccc(c2c1cccc2)CCC(=O)[13CH3] 1458a_200010294770_200025704644 [0,1,0,0,0,0|2,0,0]=3 1443 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(=O)N 34a_100000074455_100000187820 [0,1,0,0,0,0|1,0,0]=2 1444 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(=O)N 7a_100000074455_100000187820 [0,1,0,0,0,0|1,0,0]=2 1445 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(=O)[O-] 34a_100000074455_100020667443 [0,1,0,0,0,0|0,0,1]=2 1446 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(C)C 34a_100000074455_100000210624 [0,1,0,0,0,0|2,0,1]=4 1447 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(C)C 7a_100000074455_100000210760 [0,1,0,0,0,0|2,0,1]=4 1448 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(C)O 34a_100000074455_100011218427 [0,1,0,0,0,0|1,0,1]=3 1449 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(C)O 7a_100000074455_100011218427 [0,1,0,0,0,0|1,0,1]=3 1450 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(F)F 34a_100000074455_100011934356 [0,1,0,0,0,0|2,0,1]=4 1451 B17R2.39629 Cc1ccc(c2c1cccc2)OCC(F)F 7a_100000074455_100011934356 [0,1,0,0,0,0|2,0,1]=4 1452 B17R2.39629 Cc1ccc(c2c1cccc2)OC[C@@H](C)O 34a_100000074455_100009817552 [0,1,0,0,0,0|1,0,1]=3 1453 B17R2.39629 Cc1ccc(c2c1cccc2)OC[C@@H](C)O 7a_100000074455_100009817552 [0,1,0,0,0,0|1,0,1]=3 1454 B17R2.39629 Cc1ccc(c2c1cccc2)OC[N+](=O)[O-] 34a_100000074455_100000761209 [0,1,0,0,0,0|1,0,1]=3 1455 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)N 62a_100000747473_100011215156 [0,1,0,0,0,0|1,1,0]=3 1456 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)N 62a_100011215156_100000747473 [0,1,0,0,0,0|1,1,0]=3 1457 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100011215156_100020667443 [0,1,0,0,0,0|0,1,1]=3 1458 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100011215156 [0,1,0,0,0,0|0,1,1]=3 1459 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(C)O 62a_100011215156_100011218427 [0,1,0,0,0,0|1,1,1]=4 1460 B17R2.39629 Cc1ccc(c2c1cccc2)SCC(C)O 62a_100011218427_100011215156 [0,1,0,0,0,0|1,1,1]=4 1461 B17R2.39629 Cc1ccc(c2c1cccc2)SC[C@@H](C)O 62a_100009817552_100011215156 [0,1,0,0,0,0|1,1,1]=4 1462 B17R2.39629 Cc1ccc(c2c1cccc2)SC[C@@H](C)O 62a_100011215156_100009817552 [0,1,0,0,0,0|1,1,1]=4 1463 B17R2.39629 Cc1ccc(c2c1cccc2)SC[N+](=O)[O-] 62a_100011215156_100000761209 [0,1,0,0,0,0|1,1,1]=4 1464 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(=O)N 34a_100000058672_100000187820 [0,1,0,0,0,0|2,0,0]=3 1465 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(=O)N 7a_100000058672_100000187820 [0,1,0,0,0,0|2,0,0]=3 1466 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(=O)[O-] 34a_100000058672_100020667443 [0,1,0,0,0,0|1,0,1]=3 1467 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(C)O 34a_100000058672_100011218427 [0,1,0,0,0,0|2,0,1]=4 1468 B17R2.39629 Cc1ccc(c2c1cccn2)OCC(C)O 7a_100000058672_100011218427 [0,1,0,0,0,0|2,0,1]=4 1469 B17R2.39629 Cc1ccc(c2c1cccn2)OC[C@@H](C)O 34a_100000058672_100009817552 [0,1,0,0,0,0|2,0,1]=4 1470 B17R2.39629 Cc1ccc(c2c1cccn2)OC[C@@H](C)O 7a_100000058672_100009817552 [0,1,0,0,0,0|2,0,1]=4 1471 B17R2.39629 Cc1ccc(c2c1cccn2)OC[N+](=O)[O-] 34a_100000058672_100000761209 [0,1,0,0,0,0|2,0,1]=4 1472 B17R2.39629 Cc1ccc(c2c1nccc2)NCC(=O)N 34a_100000736242_100000187820 [0,1,0,0,0,0|3,0,0]=4 1473 B17R2.39629 Cc1ccc(c2c1nccc2)NCC(=O)[O-] 34a_100000736242_100020667443 [0,1,0,0,0,0|2,0,1]=4 1474 B17R2.39629 Cc1ccc(c2c1nccc2)SCC(=O)N 62a_100000747473_100000694312 [0,1,0,0,0,0|2,1,0]=4 1475 B17R2.39629 Cc1ccc(c2c1nccc2)SCC(=O)[O-] 62a_100020667443_100000694312 [0,1,0,0,0,0|1,1,1]=4 1476 B17R2.39629 Cc1cnc(c2c1cccc2)SCC(=O)N 62a_100000747473_100000112005 [0,1,0,0,0,0|2,1,0]=4 1477 B17R2.39629 Cc1cnc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100000112005 [0,1,0,0,0,0|1,1,1]=4 1478 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)N 62a_100000747473_100010239772 [0,1,0,0,0,0|2,1,0]=4 1479 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)N 62a_100010239772_100000747473 [0,1,0,0,0,0|2,1,0]=4 1480 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100010239772_100020667443 [0,1,0,0,0,0|1,1,1]=4 1481 B17R2.39629 Cc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100010239772 [0,1,0,0,0,0|1,1,1]=4 1482 B17R2.39629 Cc1nnc(c2c1cccc2)OCC(=O)N 34a_100000183092_100000187820 [0,1,0,0,0,0|3,0,0]=4 1483 B17R2.39629 Cc1nnc(c2c1cccc2)OCC(=O)[O-] 34a_100000183092_100020667443 [0,1,0,0,0,0|2,0,1]=4 1484 B17R2.39629 FC(F)COc1ccc(c2c1cccc2)Br 34a_100000186334_100011934356 [0,1,0,0,0,0|2,0,1]=4 1485 B17R2.39629 FC(F)COc1ccc(c2c1cccc2)Br 7a_100000186334_100011934356 [0,1,0,0,0,0|2,0,1]=4 1486 B17R2.39629 FC(F)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100011934356 [0,1,0,0,0,0|2,0,1]=4 1487 B17R2.39629 FC(F)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100011934356 [0,1,0,0,0,0|2,0,1]=4 1488 B17R2.39629 Fc1ccc(c2c1cccc2)OCC(F)F 34a_100000100223_100011934356 [0,1,0,0,0,0|2,0,1]=4 1489 B17R2.39629 Fc1ccc(c2c1cccc2)OCC(F)F 7a_100000100223_100011934356 [0,1,0,0,0,0|2,0,1]=4 1490 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000187820 [0,1,0,0,0,0|2,0,0]=3 1491 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000187820 [0,1,0,0,0,0|2,0,0]=3 1492 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100000187820 [0,1,0,0,0,0|2,0,0]=3 1493 B17R2.39629 NC(=O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100000187820 [0,1,0,0,0,0|2,0,0]=3 1494 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)Br 34a_100012360041_100000187820 [0,1,0,0,0,0|3,0,0]=4 1495 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)Cl 34a_100000746469_100000187820 [0,1,0,0,0,0|3,0,0]=4 1496 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)F 34a_102125277280_100000187820 [0,1,0,0,0,0|3,0,0]=4 1497 B17R2.39629 NC(=O)CNc1ccc(c2c1cccn2)O 34a_100000188197_100000187820 [0,1,0,0,0,0|3,0,0]=4 1498 B17R2.39629 NC(=O)CNc1ccc(c2c1ccnc2)Cl 34a_100012183343_100000187820 [0,1,0,0,0,0|3,0,0]=4 1499 B17R2.39629 NC(=O)CNc1ccc(c2c1nccc2)Br 34a_100000726955_100000187820 [0,1,0,0,0,0|3,0,0]=4 1500 B17R2.39629 NC(=O)CNc1ccc(c2c1nccc2)Cl 34a_100000736140_100000187820 [0,1,0,0,0,0|3,0,0]=4 1501 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000187820 [0,1,0,0,0,0|1,0,0]=2 1502 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000187820 [0,1,0,0,0,0|1,0,0]=2 1503 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000187820 [0,1,0,0,0,0|1,0,0]=2 1504 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000187820 [0,1,0,0,0,0|1,0,0]=2 1505 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)F 34a_100000100223_100000187820 [0,1,0,0,0,0|1,0,0]=2 1506 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)F 7a_100000100223_100000187820 [0,1,0,0,0,0|1,0,0]=2 1507 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)N 34a_100000705857_100000187820 [0,1,0,0,0,0|1,0,0]=2 1508 B17R2.39629 NC(=O)COc1ccc(c2c1cccc2)N 7a_100000705857_100000187820 [0,1,0,0,0,0|1,0,0]=2 1509 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Br 34a_100011934063_100000187820 [0,1,0,0,0,0|2,0,0]=3 1510 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Br 7a_100011934063_100000187820 [0,1,0,0,0,0|2,0,0]=3 1511 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100000187820 [0,1,0,0,0,0|2,0,0]=3 1512 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100000187820 [0,1,0,0,0,0|2,0,0]=3 1513 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)F 34a_100000034212_100000187820 [0,1,0,0,0,0|2,0,0]=3 1514 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)F 7a_100000034212_100000187820 [0,1,0,0,0,0|2,0,0]=3 1515 B17R2.39629 NC(=O)COc1ccc(c2c1nccc2)N 34a_100000188197_100000187820 [0,1,0,0,0,0|2,0,0]=3 1516 B17R2.39629 NC(=O)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100000187820 [0,1,0,0,0,0|2,0,0]=3 1517 B17R2.39629 NC(=O)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100000187820 [0,1,0,0,0,0|2,0,0]=3 1518 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)Br 62a_100000747473_100012339872 [0,1,0,0,0,0|1,1,0]=3 1519 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100000747473 [0,1,0,0,0,0|1,1,0]=3 1520 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)F 62a_100000747473_100011218216 [0,1,0,0,0,0|1,1,0]=3 1521 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000747473 [0,1,0,0,0,0|1,1,0]=3 1522 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000747473 [0,1,0,0,0,0|1,1,0]=3 1523 B17R2.39629 NC(=O)CSc1ccc(c2c1cccc2)O 62a_100000747473_100000186334 [0,1,0,0,0,0|1,1,0]=3 1524 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)F 62a_100000747473_100010245834 [0,1,0,0,0,0|2,1,0]=4 1525 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)F 62a_100010245834_100000747473 [0,1,0,0,0,0|2,1,0]=4 1526 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)N 62a_100000726955_100000747473 [0,1,0,0,0,0|2,1,0]=4 1527 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)N 62a_100000747473_100000726955 [0,1,0,0,0,0|2,1,0]=4 1528 B17R2.39629 NC(=O)CSc1ccc(c2c1cccn2)O 62a_100000747473_100011934063 [0,1,0,0,0,0|2,1,0]=4 1529 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)F 62a_100000698020_100000747473 [0,1,0,0,0,0|2,1,0]=4 1530 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)F 62a_100000747473_100000698020 [0,1,0,0,0,0|2,1,0]=4 1531 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)N 62a_100000747473_100011218454 [0,1,0,0,0,0|2,1,0]=4 1532 B17R2.39629 NC(=O)CSc1ccc(c2c1ccnc2)N 62a_100011218454_100000747473 [0,1,0,0,0,0|2,1,0]=4 1533 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)F 62a_100000747473_100010244717 [0,1,0,0,0,0|2,1,0]=4 1534 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)F 62a_100010244717_100000747473 [0,1,0,0,0,0|2,1,0]=4 1535 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)N 62a_100000747473_200012344021 [0,1,0,0,0,0|2,1,0]=4 1536 B17R2.39629 NC(=O)CSc1ccc(c2c1cncc2)N 62a_200012344021_100000747473 [0,1,0,0,0,0|2,1,0]=4 1537 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)F 62a_100000747473_100010214461 [0,1,0,0,0,0|2,1,0]=4 1538 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)F 62a_100010214461_100000747473 [0,1,0,0,0,0|2,1,0]=4 1539 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)N 62a_100000747473_100012360041 [0,1,0,0,0,0|2,1,0]=4 1540 B17R2.39629 NC(=O)CSc1ccc(c2c1nccc2)N 62a_100012360041_100000747473 [0,1,0,0,0,0|2,1,0]=4 1541 B17R2.39629 NC(=O)CSc1cnc(c2c1cccc2)N 62a_100000747473_100010158575 [0,1,0,0,0,0|2,1,0]=4 1542 B17R2.39629 NC(=O)CSc1cnc(c2c1cccc2)N 62a_100010158575_100000747473 [0,1,0,0,0,0|2,1,0]=4 1543 B17R2.39629 NC(=O)CSc1cnc(c2c1cccc2)O 62a_100000747473_100009816523 [0,1,0,0,0,0|2,1,0]=4 1544 B17R2.39629 NC(=O)CSc1ncc(c2c1cccc2)N 62a_100000747473_200009868590 [0,1,0,0,0,0|2,1,0]=4 1545 B17R2.39629 NC(=O)CSc1ncc(c2c1cccc2)O 62a_100000747473_100000067196 [0,1,0,0,0,0|2,1,0]=4 1546 B17R2.39629 Nc1ccc(c2c1cccc2)OCC(=O)[O-] 34a_100000705857_100020667443 [0,1,0,0,0,0|0,0,1]=2 1547 B17R2.39629 Nc1ccc(c2c1cccc2)OCC(F)F 34a_100000705857_100011934356 [0,1,0,0,0,0|2,0,1]=4 1548 B17R2.39629 Nc1ccc(c2c1cccc2)OCC(F)F 7a_100000705857_100011934356 [0,1,0,0,0,0|2,0,1]=4 1549 B17R2.39629 Nc1ccc(c2c1cccc2)OC[N+](=O)[O-] 34a_100000705857_100000761209 [0,1,0,0,0,0|1,0,1]=3 1550 B17R2.39629 Nc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100000766797_100020667443 [0,1,0,0,0,0|0,1,1]=3 1551 B17R2.39629 Nc1ccc(c2c1cccc2)SC[N+](=O)[O-] 62a_100000766797_100000761209 [0,1,0,0,0,0|1,1,1]=4 1552 B17R2.39629 Nc1ccc(c2c1cccn2)OCC(=O)[O-] 34a_100000188197_100020667443 [0,1,0,0,0,0|1,0,1]=3 1553 B17R2.39629 Nc1ccc(c2c1cccn2)OC[N+](=O)[O-] 34a_100000188197_100000761209 [0,1,0,0,0,0|2,0,1]=4 1554 B17R2.39629 Nc1ccc(c2c1cccn2)SCC(=O)[O-] 62a_100012360041_100020667443 [0,1,0,0,0,0|1,1,1]=4 1555 B17R2.39629 Nc1ccc(c2c1cccn2)SCC(=O)[O-] 62a_100020667443_100012360041 [0,1,0,0,0,0|1,1,1]=4 1556 B17R2.39629 Nc1ccc(c2c1ccnc2)SCC(=O)[O-] 62a_100020667443_200012344021 [0,1,0,0,0,0|1,1,1]=4 1557 B17R2.39629 Nc1ccc(c2c1ccnc2)SCC(=O)[O-] 62a_200012344021_100020667443 [0,1,0,0,0,0|1,1,1]=4 1558 B17R2.39629 Nc1ccc(c2c1cncc2)SCC(=O)[O-] 62a_100011218454_100020667443 [0,1,0,0,0,0|1,1,1]=4 1559 B17R2.39629 Nc1ccc(c2c1cncc2)SCC(=O)[O-] 62a_100020667443_100011218454 [0,1,0,0,0,0|1,1,1]=4 1560 B17R2.39629 Nc1ccc(c2c1nccc2)SCC(=O)[O-] 62a_100000726955_100020667443 [0,1,0,0,0,0|1,1,1]=4 1561 B17R2.39629 Nc1ccc(c2c1nccc2)SCC(=O)[O-] 62a_100020667443_100000726955 [0,1,0,0,0,0|1,1,1]=4 1562 B17R2.39629 Nc1cnc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_200009868590 [0,1,0,0,0,0|1,1,1]=4 1563 B17R2.39629 Nc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100010158575_100020667443 [0,1,0,0,0,0|1,1,1]=4 1564 B17R2.39629 Nc1ncc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100010158575 [0,1,0,0,0,0|1,1,1]=4 1565 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)Br 34a_100000766797_100020667443 [0,1,0,0,0,0|1,0,1]=3 1566 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100020667443 [0,1,0,0,0,0|1,0,1]=3 1567 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)F 34a_100011988692_100020667443 [0,1,0,0,0,0|1,0,1]=3 1568 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccc2)O 34a_100000705857_100020667443 [0,1,0,0,0,0|1,0,1]=3 1569 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)Br 34a_100012360041_100020667443 [0,1,0,0,0,0|2,0,1]=4 1570 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)Cl 34a_100000746469_100020667443 [0,1,0,0,0,0|2,0,1]=4 1571 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)F 34a_102125277280_100020667443 [0,1,0,0,0,0|2,0,1]=4 1572 B17R2.39629 O=C([O-])CNc1ccc(c2c1cccn2)O 34a_100000188197_100020667443 [0,1,0,0,0,0|2,0,1]=4 1573 B17R2.39629 O=C([O-])CNc1ccc(c2c1ccnc2)Cl 34a_100012183343_100020667443 [0,1,0,0,0,0|2,0,1]=4 1574 B17R2.39629 O=C([O-])CNc1ccc(c2c1nccc2)Br 34a_100000726955_100020667443 [0,1,0,0,0,0|2,0,1]=4 1575 B17R2.39629 O=C([O-])CNc1ccc(c2c1nccc2)Cl 34a_100000736140_100020667443 [0,1,0,0,0,0|2,0,1]=4 1576 B17R2.39629 O=C([O-])COc1ccc(c2c1cccc2)Br 34a_100000186334_100020667443 [0,1,0,0,0,0|0,0,1]=2 1577 B17R2.39629 O=C([O-])COc1ccc(c2c1cccc2)Cl 34a_100000211000_100020667443 [0,1,0,0,0,0|0,0,1]=2 1578 B17R2.39629 O=C([O-])COc1ccc(c2c1cccc2)F 34a_100000100223_100020667443 [0,1,0,0,0,0|0,0,1]=2 1579 B17R2.39629 O=C([O-])COc1ccc(c2c1nccc2)Br 34a_100011934063_100020667443 [0,1,0,0,0,0|1,0,1]=3 1580 B17R2.39629 O=C([O-])COc1ccc(c2c1nccc2)Cl 34a_100000212186_100020667443 [0,1,0,0,0,0|1,0,1]=3 1581 B17R2.39629 O=C([O-])COc1ccc(c2c1nccc2)F 34a_100000034212_100020667443 [0,1,0,0,0,0|1,0,1]=3 1582 B17R2.39629 O=C([O-])COc1cnc(c2c1cccc2)Cl 34a_100000067196_100020667443 [0,1,0,0,0,0|1,0,1]=3 1583 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)Br 62a_100012339872_100020667443 [0,1,0,0,0,0|0,1,1]=3 1584 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)Br 62a_100020667443_100012339872 [0,1,0,0,0,0|0,1,1]=3 1585 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)F 62a_100011218216_100020667443 [0,1,0,0,0,0|0,1,1]=3 1586 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)F 62a_100020667443_100011218216 [0,1,0,0,0,0|0,1,1]=3 1587 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccc2)O 62a_100020667443_100000186334 [0,1,0,0,0,0|0,1,1]=3 1588 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccn2)F 62a_100010245834_100020667443 [0,1,0,0,0,0|1,1,1]=4 1589 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccn2)F 62a_100020667443_100010245834 [0,1,0,0,0,0|1,1,1]=4 1590 B17R2.39629 O=C([O-])CSc1ccc(c2c1cccn2)O 62a_100020667443_100011934063 [0,1,0,0,0,0|1,1,1]=4 1591 B17R2.39629 O=C([O-])CSc1ccc(c2c1ccnc2)F 62a_100000698020_100020667443 [0,1,0,0,0,0|1,1,1]=4 1592 B17R2.39629 O=C([O-])CSc1ccc(c2c1ccnc2)F 62a_100020667443_100000698020 [0,1,0,0,0,0|1,1,1]=4 1593 B17R2.39629 O=C([O-])CSc1ccc(c2c1cncc2)F 62a_100010244717_100020667443 [0,1,0,0,0,0|1,1,1]=4 1594 B17R2.39629 O=C([O-])CSc1ccc(c2c1cncc2)F 62a_100020667443_100010244717 [0,1,0,0,0,0|1,1,1]=4 1595 B17R2.39629 O=C([O-])CSc1ccc(c2c1nccc2)F 62a_100010214461_100020667443 [0,1,0,0,0,0|1,1,1]=4 1596 B17R2.39629 O=C([O-])CSc1ccc(c2c1nccc2)F 62a_100020667443_100010214461 [0,1,0,0,0,0|1,1,1]=4 1597 B17R2.39629 O=C([O-])CSc1cnc(c2c1cccc2)O 62a_100020667443_100009816523 [0,1,0,0,0,0|1,1,1]=4 1598 B17R2.39629 O=C([O-])CSc1ncc(c2c1cccc2)O 62a_100020667443_100000067196 [0,1,0,0,0,0|1,1,1]=4 1599 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000761209 [0,1,0,0,0,0|2,0,1]=4 1600 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000761209 [0,1,0,0,0,0|2,0,1]=4 1601 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)F 34a_100011988692_100000761209 [0,1,0,0,0,0|2,0,1]=4 1602 B17R2.39629 O=[N+]([O-])CNc1ccc(c2c1cccc2)O 34a_100000705857_100000761209 [0,1,0,0,0,0|2,0,1]=4 1603 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1cccc2)Br 34a_100000186334_100000761209 [0,1,0,0,0,0|1,0,1]=3 1604 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000761209 [0,1,0,0,0,0|1,0,1]=3 1605 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1cccc2)F 34a_100000100223_100000761209 [0,1,0,0,0,0|1,0,1]=3 1606 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1nccc2)Br 34a_100011934063_100000761209 [0,1,0,0,0,0|2,0,1]=4 1607 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1nccc2)Cl 34a_100000212186_100000761209 [0,1,0,0,0,0|2,0,1]=4 1608 B17R2.39629 O=[N+]([O-])COc1ccc(c2c1nccc2)F 34a_100000034212_100000761209 [0,1,0,0,0,0|2,0,1]=4 1609 B17R2.39629 O=[N+]([O-])COc1cnc(c2c1cccc2)Cl 34a_100000067196_100000761209 [0,1,0,0,0,0|2,0,1]=4 1610 B17R2.39629 O=[N+]([O-])CSc1ccc(c2c1cccc2)Br 62a_100012339872_100000761209 [0,1,0,0,0,0|1,1,1]=4 1611 B17R2.39629 O=[N+]([O-])CSc1ccc(c2c1cccc2)F 62a_100011218216_100000761209 [0,1,0,0,0,0|1,1,1]=4 1612 B17R2.39629 [13CH3]C(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_200025704644 [0,1,0,0,0,0|1,0,0]=2 1613 B17R2.39629 [13CH3]C(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_200025704644 [0,1,0,0,0,0|1,0,0]=2 1614 B17R2.39629 [13CH3]C(=O)COc1ccc(c2c1nccc2)Cl 1458a_100000246055_200025704644 [0,1,0,0,0,0|2,0,0]=3 1615 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000748629 [0,1,0,0,0,0|3,0,0]=4 1616 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)C 34a_100009841044_100000748629 [0,1,0,0,0,0|3,0,0]=4 1617 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)C 7a_100009841044_100000748629 [0,1,0,0,0,0|3,0,0]=4 1618 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000748629 [0,1,0,0,0,0|3,0,0]=4 1619 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)F 34a_100009878580_100000748629 [0,1,0,0,0,0|3,0,0]=4 1620 B17R2.252033 C=C(C)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000748629 [0,1,0,0,0,0|3,0,0]=4 1621 B17R2.252033 C=C(C)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100000748629 [0,1,0,0,0,0|3,0,0]=4 1622 B17R2.252033 C=C(C)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000748629 [0,1,0,0,0,0|3,0,0]=4 1623 B17R2.252033 C=C(C)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100000748629 [0,1,0,0,0,0|3,0,0]=4 1624 B17R2.252033 C=C(C)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000748629 [0,1,0,0,0,0|3,0,0]=4 1625 B17R2.252033 C=C(C)COc1cccc2c1c(=O)cco2 34a_100000040341_100000748629 [0,1,0,0,0,0|3,0,0]=4 1626 B17R2.252033 C=C(C)COc1cccc2c1c(=O)cco2 7a_100000040341_100000748629 [0,1,0,0,0,0|3,0,0]=4 1627 B17R2.252033 C=C(C)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000748629 [0,1,0,0,0,0|2,0,0]=3 1628 B17R2.252033 C=C(C)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000748629 [0,1,0,0,0,0|2,0,0]=3 1629 B17R2.252033 C=C(C)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100000748629 [0,1,0,0,0,0|3,0,0]=4 1630 B17R2.252033 C=C(C)COc1ccnc2c1c(ccc2)C 34a_100000087318_100000748629 [0,1,0,0,0,0|3,0,0]=4 1631 B17R2.252033 C=C(C)COc1nccc2c1c(ccc2)Br 34a_100010162479_100000748629 [0,1,0,0,0,0|3,0,0]=4 1632 B17R2.252033 C=C(C)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100000748629 [0,1,0,0,0,0|3,0,0]=4 1633 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)C 62a_100000748629_100009995290 [0,1,0,0,0,0|2,1,0]=4 1634 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)F 62a_100000748629_100010177852 [0,1,0,0,0,0|2,1,0]=4 1635 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000211660 [0,1,0,0,0,0|2,1,0]=4 1636 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000211660 [0,1,0,0,0,0|2,1,0]=4 1637 B17R2.252033 C=C(C)CSc1cccc2c1c(ccc2)O 62a_100000748629_100010089961 [0,1,0,0,0,0|2,1,0]=4 1638 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100009893438 [0,1,0,0,0,0|3,0,0]=4 1639 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)C 34a_100009841044_100009893438 [0,1,0,0,0,0|3,0,0]=4 1640 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)C 7a_100009841044_100000042424 [0,1,0,0,0,0|3,0,0]=4 1641 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100009893438 [0,1,0,0,0,0|3,0,0]=4 1642 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)F 34a_100009878580_100009893438 [0,1,0,0,0,0|3,0,0]=4 1643 B17R2.252033 C=C(F)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000042424 [0,1,0,0,0,0|3,0,0]=4 1644 B17R2.252033 C=C(F)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100009893438 [0,1,0,0,0,0|3,0,0]=4 1645 B17R2.252033 C=C(F)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000042424 [0,1,0,0,0,0|3,0,0]=4 1646 B17R2.252033 C=C(F)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100009893438 [0,1,0,0,0,0|3,0,0]=4 1647 B17R2.252033 C=C(F)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000042424 [0,1,0,0,0,0|3,0,0]=4 1648 B17R2.252033 C=C(F)COc1cccc2c1c(=O)cco2 34a_100000040341_100009893438 [0,1,0,0,0,0|3,0,0]=4 1649 B17R2.252033 C=C(F)COc1cccc2c1c(=O)cco2 7a_100000040341_100000042424 [0,1,0,0,0,0|3,0,0]=4 1650 B17R2.252033 C=C(F)COc1cccc2c1c(ccc2)Br 34a_100010089961_100009893438 [0,1,0,0,0,0|2,0,0]=3 1651 B17R2.252033 C=C(F)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000042424 [0,1,0,0,0,0|2,0,0]=3 1652 B17R2.252033 C=C(F)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100009893438 [0,1,0,0,0,0|3,0,0]=4 1653 B17R2.252033 C=C(F)COc1ccnc2c1c(ccc2)C 34a_100000087318_100009893438 [0,1,0,0,0,0|3,0,0]=4 1654 B17R2.252033 C=C(F)COc1nccc2c1c(ccc2)Br 34a_100010162479_100009893438 [0,1,0,0,0,0|3,0,0]=4 1655 B17R2.252033 C=C(F)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100009893438 [0,1,0,0,0,0|3,0,0]=4 1656 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)C 62a_100000042424_100009995290 [0,1,0,0,0,0|2,1,0]=4 1657 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)F 62a_100000042424_100010177852 [0,1,0,0,0,0|2,1,0]=4 1658 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000042424 [0,1,0,0,0,0|2,1,0]=4 1659 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000042424 [0,1,0,0,0,0|2,1,0]=4 1660 B17R2.252033 C=C(F)CSc1cccc2c1c(ccc2)O 62a_100000042424_100010089961 [0,1,0,0,0,0|2,1,0]=4 1661 B17R2.252033 CC(=O)CSc1cccc2c1c(ccc2)Cl 1458a_100000260843_200000210301 [0,1,0,0,0,0|1,1,0]=3 1662 B17R2.252033 CC(C)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000210624 [0,1,0,0,0,0|2,0,1]=4 1663 B17R2.252033 CC(C)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000210760 [0,1,0,0,0,0|2,0,1]=4 1664 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100011218427 [0,1,0,0,0,0|2,0,1]=4 1665 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100011218427 [0,1,0,0,0,0|2,0,1]=4 1666 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100011218427 [0,1,0,0,0,0|2,0,1]=4 1667 B17R2.252033 CC(O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100011218427 [0,1,0,0,0,0|2,0,1]=4 1668 B17R2.252033 CC(O)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100011218427 [0,1,0,0,0,0|2,0,1]=4 1669 B17R2.252033 CC(O)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100011218427 [0,1,0,0,0,0|2,0,1]=4 1670 B17R2.252033 CC(O)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100011218427 [0,1,0,0,0,0|2,0,1]=4 1671 B17R2.252033 CC(O)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100011218427 [0,1,0,0,0,0|2,0,1]=4 1672 B17R2.252033 CC(O)COc1cccc2c1c(=O)cco2 34a_100000040341_100011218427 [0,1,0,0,0,0|2,0,1]=4 1673 B17R2.252033 CC(O)COc1cccc2c1c(=O)cco2 7a_100000040341_100011218427 [0,1,0,0,0,0|2,0,1]=4 1674 B17R2.252033 CC(O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100011218427 [0,1,0,0,0,0|1,0,1]=3 1675 B17R2.252033 CC(O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100011218427 [0,1,0,0,0,0|1,0,1]=3 1676 B17R2.252033 CC(O)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100011218427 [0,1,0,0,0,0|2,0,1]=4 1677 B17R2.252033 CC(O)COc1nccc2c1c(ccc2)Br 34a_100010162479_100011218427 [0,1,0,0,0,0|2,0,1]=4 1678 B17R2.252033 CC(O)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100011218427 [0,1,0,0,0,0|2,0,1]=4 1679 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100011218427 [0,1,0,0,0,0|1,1,1]=4 1680 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)Br 62a_100011218427_100010243825 [0,1,0,0,0,0|1,1,1]=4 1681 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100011218427 [0,1,0,0,0,0|1,1,1]=4 1682 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)F 62a_100011218427_100010177852 [0,1,0,0,0,0|1,1,1]=4 1683 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100011218427 [0,1,0,0,0,0|1,1,1]=4 1684 B17R2.252033 CC(O)CSc1cccc2c1c(ccc2)O 62a_100011218427_100010089961 [0,1,0,0,0,0|1,1,1]=4 1685 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100009817552 [0,1,0,0,0,0|2,0,1]=4 1686 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100009817552 [0,1,0,0,0,0|2,0,1]=4 1687 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100009817552 [0,1,0,0,0,0|2,0,1]=4 1688 B17R2.252033 C[C@@H](O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100009817552 [0,1,0,0,0,0|2,0,1]=4 1689 B17R2.252033 C[C@@H](O)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100009817552 [0,1,0,0,0,0|2,0,1]=4 1690 B17R2.252033 C[C@@H](O)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100009817552 [0,1,0,0,0,0|2,0,1]=4 1691 B17R2.252033 C[C@@H](O)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100009817552 [0,1,0,0,0,0|2,0,1]=4 1692 B17R2.252033 C[C@@H](O)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100009817552 [0,1,0,0,0,0|2,0,1]=4 1693 B17R2.252033 C[C@@H](O)COc1cccc2c1c(=O)cco2 34a_100000040341_100009817552 [0,1,0,0,0,0|2,0,1]=4 1694 B17R2.252033 C[C@@H](O)COc1cccc2c1c(=O)cco2 7a_100000040341_100009817552 [0,1,0,0,0,0|2,0,1]=4 1695 B17R2.252033 C[C@@H](O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100009817552 [0,1,0,0,0,0|1,0,1]=3 1696 B17R2.252033 C[C@@H](O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100009817552 [0,1,0,0,0,0|1,0,1]=3 1697 B17R2.252033 C[C@@H](O)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100009817552 [0,1,0,0,0,0|2,0,1]=4 1698 B17R2.252033 C[C@@H](O)COc1nccc2c1c(ccc2)Br 34a_100010162479_100009817552 [0,1,0,0,0,0|2,0,1]=4 1699 B17R2.252033 C[C@@H](O)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100009817552 [0,1,0,0,0,0|2,0,1]=4 1700 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)Br 62a_100009817552_100010243825 [0,1,0,0,0,0|1,1,1]=4 1701 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100009817552 [0,1,0,0,0,0|1,1,1]=4 1702 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)F 62a_100009817552_100010177852 [0,1,0,0,0,0|1,1,1]=4 1703 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100009817552 [0,1,0,0,0,0|1,1,1]=4 1704 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100009817552 [0,1,0,0,0,0|1,1,1]=4 1705 B17R2.252033 C[C@@H](O)CSc1cccc2c1c(ccc2)O 62a_100009817552_100010089961 [0,1,0,0,0,0|1,1,1]=4 1706 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(=O)N 34a_100009841044_100000187820 [0,1,0,0,0,0|2,0,0]=3 1707 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(=O)N 7a_100009841044_100000187820 [0,1,0,0,0,0|2,0,0]=3 1708 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(=O)[O-] 34a_100009841044_100020667443 [0,1,0,0,0,0|1,0,1]=3 1709 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(C)O 34a_100009841044_100011218427 [0,1,0,0,0,0|2,0,1]=4 1710 B17R2.252033 Cc1cccc2c1c(ccc2)NCC(C)O 7a_100009841044_100011218427 [0,1,0,0,0,0|2,0,1]=4 1711 B17R2.252033 Cc1cccc2c1c(ccc2)NC[C@@H](C)O 34a_100009841044_100009817552 [0,1,0,0,0,0|2,0,1]=4 1712 B17R2.252033 Cc1cccc2c1c(ccc2)NC[C@@H](C)O 7a_100009841044_100009817552 [0,1,0,0,0,0|2,0,1]=4 1713 B17R2.252033 Cc1cccc2c1c(ccc2)NC[N+](=O)[O-] 34a_100009841044_100000761209 [0,1,0,0,0,0|2,0,1]=4 1714 B17R2.252033 Cc1cccc2c1c(ccc2)SCC(=O)N 62a_100000747473_100009995290 [0,1,0,0,0,0|1,1,0]=3 1715 B17R2.252033 Cc1cccc2c1c(ccc2)SCC(=O)[O-] 62a_100020667443_100009995290 [0,1,0,0,0,0|0,1,1]=3 1716 B17R2.252033 Cc1cccc2c1c(ccc2)SCC(C)O 62a_100011218427_100009995290 [0,1,0,0,0,0|1,1,1]=4 1717 B17R2.252033 Cc1cccc2c1c(ccc2)SC[C@@H](C)O 62a_100009817552_100009995290 [0,1,0,0,0,0|1,1,1]=4 1718 B17R2.252033 Cc1cccc2c1c(ccn2)OCC(=O)N 34a_100000087318_100000187820 [0,1,0,0,0,0|2,0,0]=3 1719 B17R2.252033 Cc1cccc2c1c(ccn2)OCC(=O)[O-] 34a_100000087318_100020667443 [0,1,0,0,0,0|1,0,1]=3 1720 B17R2.252033 Cc1cccc2c1c(ccn2)OCC(C)O 34a_100000087318_100011218427 [0,1,0,0,0,0|2,0,1]=4 1721 B17R2.252033 Cc1cccc2c1c(ccn2)OC[C@@H](C)O 34a_100000087318_100009817552 [0,1,0,0,0,0|2,0,1]=4 1722 B17R2.252033 Cc1cccc2c1c(ccn2)OC[N+](=O)[O-] 34a_100000087318_100000761209 [0,1,0,0,0,0|2,0,1]=4 1723 B17R2.252033 Cc1cncc2c1c(ccc2)NCC(=O)N 34a_100009845824_100000187820 [0,1,0,0,0,0|3,0,0]=4 1724 B17R2.252033 Cc1cncc2c1c(ccc2)NCC(=O)[O-] 34a_100009845824_100020667443 [0,1,0,0,0,0|2,0,1]=4 1725 B17R2.252033 Cc1cncc2c1c(ccc2)SCC(=O)N 62a_100000747473_100009817140 [0,1,0,0,0,0|2,1,0]=4 1726 B17R2.252033 Cc1cncc2c1c(ccc2)SCC(=O)[O-] 62a_100020667443_100009817140 [0,1,0,0,0,0|1,1,1]=4 1727 B17R2.252033 FC(F)COc1cccc2c1c(ccc2)Br 34a_100010089961_100011934356 [0,1,0,0,0,0|2,0,1]=4 1728 B17R2.252033 FC(F)COc1cccc2c1c(ccc2)Br 7a_100010089961_100011934356 [0,1,0,0,0,0|2,0,1]=4 1729 B17R2.252033 NC(=O)CNc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_100000187820 [0,1,0,0,0,0|3,0,0]=4 1730 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000187820 [0,1,0,0,0,0|2,0,0]=3 1731 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000187820 [0,1,0,0,0,0|2,0,0]=3 1732 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100000187820 [0,1,0,0,0,0|2,0,0]=3 1733 B17R2.252033 NC(=O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000187820 [0,1,0,0,0,0|2,0,0]=3 1734 B17R2.252033 NC(=O)CNc1cccc2c1c(ccn2)Cl 34a_100010263589_100000187820 [0,1,0,0,0,0|3,0,0]=4 1735 B17R2.252033 NC(=O)CNc1cccc2c1c(cnc2)Br 34a_100000720362_100000187820 [0,1,0,0,0,0|3,0,0]=4 1736 B17R2.252033 NC(=O)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100000187820 [0,1,0,0,0,0|2,0,0]=3 1737 B17R2.252033 NC(=O)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000187820 [0,1,0,0,0,0|2,0,0]=3 1738 B17R2.252033 NC(=O)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100000187820 [0,1,0,0,0,0|2,0,0]=3 1739 B17R2.252033 NC(=O)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000187820 [0,1,0,0,0,0|2,0,0]=3 1740 B17R2.252033 NC(=O)COc1cccc2c1c(=O)cco2 34a_100000040341_100000187820 [0,1,0,0,0,0|2,0,0]=3 1741 B17R2.252033 NC(=O)COc1cccc2c1c(=O)cco2 7a_100000040341_100000187820 [0,1,0,0,0,0|2,0,0]=3 1742 B17R2.252033 NC(=O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000187820 [0,1,0,0,0,0|1,0,0]=2 1743 B17R2.252033 NC(=O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000187820 [0,1,0,0,0,0|1,0,0]=2 1744 B17R2.252033 NC(=O)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100000187820 [0,1,0,0,0,0|2,0,0]=3 1745 B17R2.252033 NC(=O)COc1nccc2c1c(ccc2)Br 34a_100010162479_100000187820 [0,1,0,0,0,0|2,0,0]=3 1746 B17R2.252033 NC(=O)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100000187820 [0,1,0,0,0,0|2,0,0]=3 1747 B17R2.252033 NC(=O)COc1ncnc2c1c(ccc2)F 34a_100000743385_100000187820 [0,1,0,0,0,0|3,0,0]=4 1748 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)Br 62a_100000747473_100010243825 [0,1,0,0,0,0|1,1,0]=3 1749 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100000747473 [0,1,0,0,0,0|1,1,0]=3 1750 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)F 62a_100000747473_100010177852 [0,1,0,0,0,0|1,1,0]=3 1751 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000747473 [0,1,0,0,0,0|1,1,0]=3 1752 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000747473 [0,1,0,0,0,0|1,1,0]=3 1753 B17R2.252033 NC(=O)CSc1cccc2c1c(ccc2)O 62a_100000747473_100010089961 [0,1,0,0,0,0|1,1,0]=3 1754 B17R2.252033 NC(=O)CSc1cccc2c1c(ncc2)N 62a_100010291105_100000747473 [0,1,0,0,0,0|2,1,0]=4 1755 B17R2.252033 NC(=O)CSc1cccc2c1c(ncc2)O 62a_100000747473_100010162479 [0,1,0,0,0,0|2,1,0]=4 1756 B17R2.252033 NC(=O)CSc1cncc2c1c(ccc2)N 62a_100000720362_100000747473 [0,1,0,0,0,0|2,1,0]=4 1757 B17R2.252033 NC(=O)CSc1cncc2c1c(ccc2)N 62a_100000747473_100000720362 [0,1,0,0,0,0|2,1,0]=4 1758 B17R2.252033 Nc1cccc2c1c(ccc2)SCC(=O)[O-] 62a_100010002837_100020667443 [0,1,0,0,0,0|0,1,1]=3 1759 B17R2.252033 Nc1cccc2c1c(ccc2)SC[N+](=O)[O-] 62a_100010002837_100000761209 [0,1,0,0,0,0|1,1,1]=4 1760 B17R2.252033 Nc1cccc2c1c(cnc2)SCC(=O)[O-] 62a_100000720362_100020667443 [0,1,0,0,0,0|1,1,1]=4 1761 B17R2.252033 Nc1cccc2c1c(cnc2)SCC(=O)[O-] 62a_100020667443_100000720362 [0,1,0,0,0,0|1,1,1]=4 1762 B17R2.252033 Nc1nccc2c1c(ccc2)SCC(=O)[O-] 62a_100010291105_100020667443 [0,1,0,0,0,0|1,1,1]=4 1763 B17R2.252033 O=C([O-])CNc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_100020667443 [0,1,0,0,0,0|2,0,1]=4 1764 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccc2)Br 34a_100010002837_100020667443 [0,1,0,0,0,0|1,0,1]=3 1765 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100020667443 [0,1,0,0,0,0|1,0,1]=3 1766 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccc2)F 34a_100009878580_100020667443 [0,1,0,0,0,0|1,0,1]=3 1767 B17R2.252033 O=C([O-])CNc1cccc2c1c(ccn2)Cl 34a_100010263589_100020667443 [0,1,0,0,0,0|2,0,1]=4 1768 B17R2.252033 O=C([O-])CNc1cccc2c1c(cnc2)Br 34a_100000720362_100020667443 [0,1,0,0,0,0|2,0,1]=4 1769 B17R2.252033 O=C([O-])COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100020667443 [0,1,0,0,0,0|1,0,1]=3 1770 B17R2.252033 O=C([O-])COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100020667443 [0,1,0,0,0,0|1,0,1]=3 1771 B17R2.252033 O=C([O-])COc1cccc2c1c(=O)cco2 34a_100000040341_100020667443 [0,1,0,0,0,0|1,0,1]=3 1772 B17R2.252033 O=C([O-])COc1cccc2c1c(ccc2)Br 34a_100010089961_100020667443 [0,1,0,0,0,0|0,0,1]=2 1773 B17R2.252033 O=C([O-])COc1ccnc2c1c(ccc2)Br 34a_100010187735_100020667443 [0,1,0,0,0,0|1,0,1]=3 1774 B17R2.252033 O=C([O-])COc1nccc2c1c(ccc2)Br 34a_100010162479_100020667443 [0,1,0,0,0,0|1,0,1]=3 1775 B17R2.252033 O=C([O-])COc1nccc2c1c(ccc2)Cl 34a_200010297299_100020667443 [0,1,0,0,0,0|1,0,1]=3 1776 B17R2.252033 O=C([O-])COc1ncnc2c1c(ccc2)F 34a_100000743385_100020667443 [0,1,0,0,0,0|2,0,1]=4 1777 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)Br 62a_100010243825_100020667443 [0,1,0,0,0,0|0,1,1]=3 1778 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)Br 62a_100020667443_100010243825 [0,1,0,0,0,0|0,1,1]=3 1779 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)F 62a_100010177852_100020667443 [0,1,0,0,0,0|0,1,1]=3 1780 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)F 62a_100020667443_100010177852 [0,1,0,0,0,0|0,1,1]=3 1781 B17R2.252033 O=C([O-])CSc1cccc2c1c(ccc2)O 62a_100020667443_100010089961 [0,1,0,0,0,0|0,1,1]=3 1782 B17R2.252033 O=C([O-])CSc1cccc2c1c(ncc2)O 62a_100020667443_100010162479 [0,1,0,0,0,0|1,1,1]=4 1783 B17R2.252033 O=[N+]([O-])CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000761209 [0,1,0,0,0,0|2,0,1]=4 1784 B17R2.252033 O=[N+]([O-])CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000761209 [0,1,0,0,0,0|2,0,1]=4 1785 B17R2.252033 O=[N+]([O-])CNc1cccc2c1c(ccc2)F 34a_100009878580_100000761209 [0,1,0,0,0,0|2,0,1]=4 1786 B17R2.252033 O=[N+]([O-])COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100000761209 [0,1,0,0,0,0|2,0,1]=4 1787 B17R2.252033 O=[N+]([O-])COc1cccc2c1c(ccc2)Br 34a_100010089961_100000761209 [0,1,0,0,0,0|1,0,1]=3 1788 B17R2.252033 O=[N+]([O-])COc1ccnc2c1c(ccc2)Br 34a_100010187735_100000761209 [0,1,0,0,0,0|2,0,1]=4 1789 B17R2.252033 O=[N+]([O-])COc1nccc2c1c(ccc2)Br 34a_100010162479_100000761209 [0,1,0,0,0,0|2,0,1]=4 1790 B17R2.252033 O=[N+]([O-])COc1nccc2c1c(ccc2)Cl 34a_200010297299_100000761209 [0,1,0,0,0,0|2,0,1]=4 1791 B17R2.252033 O=[N+]([O-])CSc1cccc2c1c(ccc2)Br 62a_100010243825_100000761209 [0,1,0,0,0,0|1,1,1]=4 1792 B17R2.252033 O=[N+]([O-])CSc1cccc2c1c(ccc2)F 62a_100010177852_100000761209 [0,1,0,0,0,0|1,1,1]=4 1793 B17R2.252033 O=c1[nH]ccc2c1c(ccc2)OC[N+](=O)[O-] 34a_200010358299_100000761209 [0,1,0,0,0,0|2,0,1]=4 1794 B17R2.252033 O=c1ccoc2c1c(ccc2)OC[N+](=O)[O-] 34a_100000040341_100000761209 [0,1,0,0,0,0|2,0,1]=4 1795 B17R2.252033 [13CH3]C(=O)CSc1cccc2c1c(ccc2)Cl 1458a_100000260843_200025704644 [0,1,0,0,0,0|1,1,0]=3 1796 B17R2.353364 C#CC(=O)CCc1cccc2c1cccc2 1458a_100000211873_100011290781 [0,1,0,0,0,0|2,0,0]=3 1797 B17R2.353364 C=C(C#N)CNc1cccc2c1cccc2 34a_100000185869_100000694840 [0,1,0,0,0,0|3,0,0]=4 1798 B17R2.353364 C=C(C#N)COc1cccc2c1cccc2 34a_100000210388_100000694840 [0,1,0,0,0,0|2,0,0]=3 1799 B17R2.353364 C=C(C#N)COc1cccc2c1cccn2 34a_100011197808_100000694840 [0,1,0,0,0,0|3,0,0]=4 1800 B17R2.353364 C=C(C#N)COc1cccc2c1ccnc2 34a_100011218533_100000694840 [0,1,0,0,0,0|3,0,0]=4 1801 B17R2.353364 C=C(C#N)COc1cccc2c1cncc2 34a_103624766955_100000694840 [0,1,0,0,0,0|3,0,0]=4 1802 B17R2.353364 C=C(C#N)COc1cccc2c1nccc2 34a_100000056035_100000694840 [0,1,0,0,0,0|3,0,0]=4 1803 B17R2.353364 C=C(C#N)COc1cncc2c1cccc2 34a_100000066178_100000694840 [0,1,0,0,0,0|3,0,0]=4 1804 B17R2.353364 C=C(C#N)COc1nccc2c1cccc2 34a_102531767632_100000694840 [0,1,0,0,0,0|3,0,0]=4 1805 B17R2.353364 C=CC(=O)CCc1cccc2c1cccc2 1458a_100000185746_100011290781 [0,1,0,0,0,0|2,0,0]=3 1806 B17R2.353364 C=CC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100000185746 [0,1,0,0,0,0|3,0,0]=4 1807 B17R2.353364 C=CC(=O)NCc1cccc2c1cccc2 240690a_100000753325_200121576911 [0,1,0,0,0,0|3,0,0]=4 1808 B17R2.353364 C=CC(=O)NNc1cccc2c1cccc2 22a_100000006939_100000185746 [0,1,0,0,0,0|3,0,0]=4 1809 B17R2.353364 C=CC(O)CNc1cccc2c1cccc2 34a_100000185869_100000730141 [0,1,0,0,0,0|2,0,1]=4 1810 B17R2.353364 C=CC(O)COc1cccc2c1cccc2 34a_100000210388_100000730141 [0,1,0,0,0,0|1,0,1]=3 1811 B17R2.353364 C=CC(O)COc1cccc2c1cccc2 7a_100000210388_100000730141 [0,1,0,0,0,0|1,0,1]=3 1812 B17R2.353364 C=CC(O)COc1cccc2c1cccn2 34a_100011197808_100000730141 [0,1,0,0,0,0|2,0,1]=4 1813 B17R2.353364 C=CC(O)COc1cccc2c1ccnc2 34a_100011218533_100000730141 [0,1,0,0,0,0|2,0,1]=4 1814 B17R2.353364 C=CC(O)COc1cccc2c1cncc2 34a_103624766955_100000730141 [0,1,0,0,0,0|2,0,1]=4 1815 B17R2.353364 C=CC(O)COc1cccc2c1nccc2 34a_100000056035_100000730141 [0,1,0,0,0,0|2,0,1]=4 1816 B17R2.353364 C=CC(O)COc1cncc2c1cccc2 34a_100000066178_100000730141 [0,1,0,0,0,0|2,0,1]=4 1817 B17R2.353364 C=CC(O)COc1cncc2c1cccc2 7a_100000066178_100000730141 [0,1,0,0,0,0|2,0,1]=4 1818 B17R2.353364 C=CC(O)COc1nccc2c1cccc2 34a_102531767632_100000730141 [0,1,0,0,0,0|2,0,1]=4 1819 B17R2.353364 C=CC(O)CSc1cccc2c1cccc2 62a_100000730141_100000210605 [0,1,0,0,0,0|1,1,1]=4 1820 B17R2.353364 CC(=NNc1cccc2c1cccc2)CO 4a_100000006939_100000211253 [0,1,0,0,0,0|3,0,0]=4 1821 B17R2.353364 CCC(=O)C=Cc1cccc2c1cccc2 1458a_100000735324_100000210202 [0,1,0,0,0,0|2,0,1]=4 1822 B17R2.353364 CCC(=O)CCc1cccc2c1cccc2 1458a_100000210414_100011290781 [0,1,0,0,0,0|2,0,0]=3 1823 B17R2.353364 CCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100000210202 [0,1,0,0,0,0|2,0,0]=3 1824 B17R2.353364 CCC(=O)COc1cccc2c1CC=CC2 7a_100000074931_100000747405 [0,1,0,0,0,0|1,0,2]=4 1825 B17R2.353364 CCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000210202 [0,1,0,0,0,0|1,0,0]=2 1826 B17R2.353364 CCC(=O)COc1cccc2c1cccc2 7a_100000210388_100000747405 [0,1,0,0,0,0|1,0,0]=2 1827 B17R2.353364 CCC(=O)COc1cccc2c1nccc2 1458a_100000182336_100000210202 [0,1,0,0,0,0|2,0,0]=3 1828 B17R2.353364 CCC(=O)COc1cncc2c1cccc2 7a_100000066178_100000747405 [0,1,0,0,0,0|2,0,0]=3 1829 B17R2.353364 CCC(=O)COc1ncnc2c1cccc2 1458a_100000216300_100000210202 [0,1,0,0,0,0|3,0,0]=4 1830 B17R2.353364 CCC(=O)CSc1cccc2c1cccc2 62a_100000747405_100000210605 [0,1,0,0,0,0|1,1,0]=3 1831 B17R2.353364 CCC(=O)CSc1cccc2c1cccn2 62a_100000747405_100011290932 [0,1,0,0,0,0|2,1,0]=4 1832 B17R2.353364 CCC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000747405 [0,1,0,0,0,0|2,1,0]=4 1833 B17R2.353364 CCC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000747405 [0,1,0,0,0,0|2,1,0]=4 1834 B17R2.353364 CCC(=O)CSc1cccc2c1ccnc2 62a_100000747405_100000186358 [0,1,0,0,0,0|2,1,0]=4 1835 B17R2.353364 CCC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000747405 [0,1,0,0,0,0|2,1,0]=4 1836 B17R2.353364 CCC(=O)CSc1cccc2c1cncc2 62a_100000747405_100000685578 [0,1,0,0,0,0|2,1,0]=4 1837 B17R2.353364 CCC(=O)CSc1cccc2c1nccc2 62a_100000747405_100011215545 [0,1,0,0,0,0|2,1,0]=4 1838 B17R2.353364 CCC(=O)CSc1ccnc2c1cccc2 62a_100000747405_100011215880 [0,1,0,0,0,0|2,1,0]=4 1839 B17R2.353364 CCC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747405 [0,1,0,0,0,0|2,1,0]=4 1840 B17R2.353364 CCC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747405 [0,1,0,0,0,0|2,1,0]=4 1841 B17R2.353364 CCC(=O)CSc1cncc2c1cccc2 62a_100000747405_100000187577 [0,1,0,0,0,0|2,1,0]=4 1842 B17R2.353364 CCC(=O)CSc1nccc2c1cccc2 62a_100000747405_100011934041 [0,1,0,0,0,0|2,1,0]=4 1843 B17R2.353364 CCC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747405 [0,1,0,0,0,0|2,1,0]=4 1844 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 11a_100000753325_100000210414 [0,1,0,0,0,0|3,0,0]=4 1845 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100000210414 [0,1,0,0,0,0|3,0,0]=4 1846 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 240690a_100000753325_100000210414 [0,1,0,0,0,0|3,0,0]=4 1847 B17R2.353364 CCC(=O)NCc1cccc2c1cccc2 527a_100000753325_100000210414 [0,1,0,0,0,0|3,0,0]=4 1848 B17R2.353364 CCC(=O)NNc1cccc2c1cccc2 22a_100000006939_100000210414 [0,1,0,0,0,0|3,0,0]=4 1849 B17R2.353364 CCC(C)COc1cccc2c1cccc2 34a_100000210388_100000748023 [0,1,0,0,0,0|2,0,1]=4 1850 B17R2.353364 CCC(C)COc1cccc2c1cccc2 7a_100000210388_100000748023 [0,1,0,0,0,0|2,0,1]=4 1851 B17R2.353364 CCC(O)CNc1cccc2c1cccc2 34a_100000185869_100011218378 [0,1,0,0,0,0|2,0,1]=4 1852 B17R2.353364 CCC(O)COc1cccc2c1cccc2 34a_100000210388_100011218378 [0,1,0,0,0,0|1,0,1]=3 1853 B17R2.353364 CCC(O)COc1cccc2c1cccc2 7a_100000210388_100011218378 [0,1,0,0,0,0|1,0,1]=3 1854 B17R2.353364 CCC(O)COc1cccc2c1cccn2 34a_100011197808_100011218378 [0,1,0,0,0,0|2,0,1]=4 1855 B17R2.353364 CCC(O)COc1cccc2c1ccnc2 34a_100011218533_100011218378 [0,1,0,0,0,0|2,0,1]=4 1856 B17R2.353364 CCC(O)COc1cccc2c1cncc2 34a_103624766955_100011218378 [0,1,0,0,0,0|2,0,1]=4 1857 B17R2.353364 CCC(O)COc1cccc2c1nccc2 34a_100000056035_100011218378 [0,1,0,0,0,0|2,0,1]=4 1858 B17R2.353364 CCC(O)COc1cncc2c1cccc2 34a_100000066178_100011218378 [0,1,0,0,0,0|2,0,1]=4 1859 B17R2.353364 CCC(O)COc1cncc2c1cccc2 7a_100000066178_100011218378 [0,1,0,0,0,0|2,0,1]=4 1860 B17R2.353364 CCC(O)COc1nccc2c1cccc2 34a_102531767632_100011218378 [0,1,0,0,0,0|2,0,1]=4 1861 B17R2.353364 CCC(O)CSc1cccc2c1cccc2 62a_100011218378_100000210605 [0,1,0,0,0,0|1,1,1]=4 1862 B17R2.353364 CC[C@H](C)COc1cccc2c1cccc2 34a_100000210388_100009816398 [0,1,0,0,0,0|2,0,1]=4 1863 B17R2.353364 CC[C@H](C)COc1cccc2c1cccc2 7a_100000210388_100009816398 [0,1,0,0,0,0|2,0,1]=4 1864 B17R2.353364 CNC(=O)C=Cc1cccc2c1cccc2 11a_106832991635_100000735324 [0,1,0,0,0,0|2,0,1]=4 1865 B17R2.353364 CNC(=O)C=Cc1cccc2c1cccc2 240690a_100102657272_100000735324 [0,1,0,0,0,0|2,0,1]=4 1866 B17R2.353364 CNC(=O)C=Cc1cccc2c1cccc2 527a_100102657272_100000735324 [0,1,0,0,0,0|2,0,1]=4 1867 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 11a_106832991635_100011218451 [0,1,0,0,0,0|2,0,0]=3 1868 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 1626a_100102657272_100011218451 [0,1,0,0,0,0|2,0,0]=3 1869 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 240690a_100102657272_100011218451 [0,1,0,0,0,0|2,0,0]=3 1870 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 527a_100102657272_100011218451 [0,1,0,0,0,0|2,0,0]=3 1871 B17R2.353364 CNC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000183359 [0,1,0,0,0,0|2,0,0]=3 1872 B17R2.353364 CNC(=O)CNc1cccc2c1cccn2 27a_100000693194_100011290932 [0,1,0,0,0,0|3,0,0]=4 1873 B17R2.353364 CNC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000183359 [0,1,0,0,0,0|3,0,0]=4 1874 B17R2.353364 CNC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000183359 [0,1,0,0,0,0|3,0,0]=4 1875 B17R2.353364 CNC(=O)CNc1ccnc2c1cccc2 27a_100000693194_100011215880 [0,1,0,0,0,0|3,0,0]=4 1876 B17R2.353364 CNC(=O)CNc1nccc2c1cccc2 27a_100000693194_100011934041 [0,1,0,0,0,0|3,0,0]=4 1877 B17R2.353364 CNC(=O)COc1cccc2c1CC=CC2 34a_100000074931_100000183359 [0,1,0,0,0,0|1,0,2]=4 1878 B17R2.353364 CNC(=O)COc1cccc2c1CC=CC2 7a_100000074931_100000183359 [0,1,0,0,0,0|1,0,2]=4 1879 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 11a_106832991635_100000183701 [0,1,0,0,0,0|1,0,0]=2 1880 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 1626a_100102657272_100000183701 [0,1,0,0,0,0|1,0,0]=2 1881 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 240690a_100102657272_100000183701 [0,1,0,0,0,0|1,0,0]=2 1882 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 34a_100000210388_100000183359 [0,1,0,0,0,0|1,0,0]=2 1883 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 527a_100102657272_100000183701 [0,1,0,0,0,0|1,0,0]=2 1884 B17R2.353364 CNC(=O)COc1cccc2c1cccc2 7a_100000210388_100000183359 [0,1,0,0,0,0|1,0,0]=2 1885 B17R2.353364 CNC(=O)COc1cccc2c1cccn2 34a_100011197808_100000183359 [0,1,0,0,0,0|2,0,0]=3 1886 B17R2.353364 CNC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000183359 [0,1,0,0,0,0|2,0,0]=3 1887 B17R2.353364 CNC(=O)COc1cccc2c1cncc2 34a_103624766955_100000183359 [0,1,0,0,0,0|2,0,0]=3 1888 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 11a_106832991635_100000182336 [0,1,0,0,0,0|2,0,0]=3 1889 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 1626a_100102657272_100000182336 [0,1,0,0,0,0|2,0,0]=3 1890 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 240690a_100102657272_100000182336 [0,1,0,0,0,0|2,0,0]=3 1891 B17R2.353364 CNC(=O)COc1cccc2c1nccc2 34a_100000056035_100000183359 [0,1,0,0,0,0|2,0,0]=3 1892 B17R2.353364 CNC(=O)COc1cccc2c1nccn2 34a_100000077048_100000183359 [0,1,0,0,0,0|3,0,0]=4 1893 B17R2.353364 CNC(=O)COc1cccc2c1ncnc2 34a_200000077003_100000183359 [0,1,0,0,0,0|3,0,0]=4 1894 B17R2.353364 CNC(=O)COc1cncc2c1cccc2 34a_100000066178_100000183359 [0,1,0,0,0,0|2,0,0]=3 1895 B17R2.353364 CNC(=O)COc1cncc2c1cccc2 7a_100000066178_100000183359 [0,1,0,0,0,0|2,0,0]=3 1896 B17R2.353364 CNC(=O)COc1nccc2c1cccc2 34a_102531767632_100000183359 [0,1,0,0,0,0|2,0,0]=3 1897 B17R2.353364 CNC(=O)COc1ncnc2c1cccc2 11a_106832991635_100000216300 [0,1,0,0,0,0|3,0,0]=4 1898 B17R2.353364 CNC(=O)COc1ncnc2c1cccc2 240690a_100102657272_100000216300 [0,1,0,0,0,0|3,0,0]=4 1899 B17R2.353364 CNC(=O)COc1ncnc2c1cccc2 527a_100102657272_100000216300 [0,1,0,0,0,0|3,0,0]=4 1900 B17R2.353364 CNC(=O)CSc1cccc2c1cccc2 62a_100000183359_100000210605 [0,1,0,0,0,0|1,1,0]=3 1901 B17R2.353364 CNC(=O)CSc1cccc2c1cccn2 62a_100000183359_100011290932 [0,1,0,0,0,0|2,1,0]=4 1902 B17R2.353364 CNC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000183359 [0,1,0,0,0,0|2,1,0]=4 1903 B17R2.353364 CNC(=O)CSc1cccc2c1ccnc2 62a_100000183359_100000186358 [0,1,0,0,0,0|2,1,0]=4 1904 B17R2.353364 CNC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000183359 [0,1,0,0,0,0|2,1,0]=4 1905 B17R2.353364 CNC(=O)CSc1cccc2c1cncc2 62a_100000183359_100000685578 [0,1,0,0,0,0|2,1,0]=4 1906 B17R2.353364 CNC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000183359 [0,1,0,0,0,0|2,1,0]=4 1907 B17R2.353364 CNC(=O)CSc1cccc2c1nccc2 62a_100000183359_100011215545 [0,1,0,0,0,0|2,1,0]=4 1908 B17R2.353364 CNC(=O)CSc1ccnc2c1cccc2 62a_100000183359_100011215880 [0,1,0,0,0,0|2,1,0]=4 1909 B17R2.353364 CNC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000183359 [0,1,0,0,0,0|2,1,0]=4 1910 B17R2.353364 CNC(=O)CSc1cncc2c1cccc2 62a_100000183359_100000187577 [0,1,0,0,0,0|2,1,0]=4 1911 B17R2.353364 CNC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000183359 [0,1,0,0,0,0|2,1,0]=4 1912 B17R2.353364 CNC(=O)CSc1nccc2c1cccc2 62a_100000183359_100011934041 [0,1,0,0,0,0|2,1,0]=4 1913 B17R2.353364 CNC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000183359 [0,1,0,0,0,0|2,1,0]=4 1914 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 2708a_100000753325_106832991635 [0,1,0,0,0,0|3,0,0]=4 1915 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 2708a_100102657272_100000753325 [0,1,0,0,0,0|3,0,0]=4 1916 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 273464a_100000753325_100102657272 [0,1,0,0,0,0|3,0,0]=4 1917 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 273464a_100102657272_100000753325 [0,1,0,0,0,0|3,0,0]=4 1918 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 512a_100000753325_100102657272 [0,1,0,0,0,0|3,0,0]=4 1919 B17R2.353364 CNC(=O)NCc1cccc2c1cccc2 512a_106832991638_100000753325 [0,1,0,0,0,0|3,0,0]=4 1920 B17R2.353364 CNC(=O)NNc1cccc2c1cccc2 273464a_100102657272_100000006939 [0,1,0,0,0,0|3,0,0]=4 1921 B17R2.353364 CNC(=O)NNc1cccc2c1cccc2 512a_106832991638_100000006939 [0,1,0,0,0,0|3,0,0]=4 1922 B17R2.353364 CNC(C)COc1cccc2c1cccc2 270004a_106832991635_100000150771 [0,1,0,0,0,0|2,0,1]=4 1923 B17R2.353364 COC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000747449 [0,1,0,0,0,0|1,0,0]=2 1924 B17R2.353364 COC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000747449 [0,1,0,0,0,0|2,0,0]=3 1925 B17R2.353364 COC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000747449 [0,1,0,0,0,0|2,0,0]=3 1926 B17R2.353364 COC(=O)COc1cccc2c1CC=CC2 34a_100000074931_100000747449 [0,1,0,0,0,0|0,0,2]=3 1927 B17R2.353364 COC(=O)COc1cccc2c1CC=CC2 7a_100000074931_100000747449 [0,1,0,0,0,0|0,0,2]=3 1928 B17R2.353364 COC(=O)COc1cccc2c1cccc2 34a_100000210388_100000747449 [0,1,0,0,0,0|0,0,0]=1 1929 B17R2.353364 COC(=O)COc1cccc2c1cccc2 7a_100000210388_100000747449 [0,1,0,0,0,0|0,0,0]=1 1930 B17R2.353364 COC(=O)COc1cccc2c1cccn2 34a_100011197808_100000747449 [0,1,0,0,0,0|1,0,0]=2 1931 B17R2.353364 COC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000747449 [0,1,0,0,0,0|1,0,0]=2 1932 B17R2.353364 COC(=O)COc1cccc2c1cncc2 34a_103624766955_100000747449 [0,1,0,0,0,0|1,0,0]=2 1933 B17R2.353364 COC(=O)COc1cccc2c1nccc2 34a_100000056035_100000747449 [0,1,0,0,0,0|1,0,0]=2 1934 B17R2.353364 COC(=O)COc1cccc2c1nccn2 34a_100000077048_100000747449 [0,1,0,0,0,0|2,0,0]=3 1935 B17R2.353364 COC(=O)COc1cccc2c1ncnc2 34a_200000077003_100000747449 [0,1,0,0,0,0|2,0,0]=3 1936 B17R2.353364 COC(=O)COc1cncc2c1cccc2 34a_100000066178_100000747449 [0,1,0,0,0,0|1,0,0]=2 1937 B17R2.353364 COC(=O)COc1cncc2c1cccc2 7a_100000066178_100000747449 [0,1,0,0,0,0|1,0,0]=2 1938 B17R2.353364 COC(=O)COc1nccc2c1cccc2 34a_102531767632_100000747449 [0,1,0,0,0,0|1,0,0]=2 1939 B17R2.353364 COC(=O)CSc1cccc2c1cccc2 62a_100000747449_100000210605 [0,1,0,0,0,0|0,1,0]=2 1940 B17R2.353364 COC(=O)CSc1cccc2c1cccn2 62a_100000747449_100011290932 [0,1,0,0,0,0|1,1,0]=3 1941 B17R2.353364 COC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000747449 [0,1,0,0,0,0|1,1,0]=3 1942 B17R2.353364 COC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000747449 [0,1,0,0,0,0|1,1,0]=3 1943 B17R2.353364 COC(=O)CSc1cccc2c1ccnc2 62a_100000747449_100000186358 [0,1,0,0,0,0|1,1,0]=3 1944 B17R2.353364 COC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000747449 [0,1,0,0,0,0|1,1,0]=3 1945 B17R2.353364 COC(=O)CSc1cccc2c1cncc2 62a_100000747449_100000685578 [0,1,0,0,0,0|1,1,0]=3 1946 B17R2.353364 COC(=O)CSc1cccc2c1cncn2 62a_100000747449_100009814520 [0,1,0,0,0,0|2,1,0]=4 1947 B17R2.353364 COC(=O)CSc1cccc2c1cncn2 62a_100009814520_100000747449 [0,1,0,0,0,0|2,1,0]=4 1948 B17R2.353364 COC(=O)CSc1cccc2c1nccc2 62a_100000747449_100011215545 [0,1,0,0,0,0|1,1,0]=3 1949 B17R2.353364 COC(=O)CSc1cccc2c1nccn2 62a_100000747449_100010003881 [0,1,0,0,0,0|2,1,0]=4 1950 B17R2.353364 COC(=O)CSc1cccc2c1nccn2 62a_100010003881_100000747449 [0,1,0,0,0,0|2,1,0]=4 1951 B17R2.353364 COC(=O)CSc1cccc2c1ncnc2 62a_100000747449_100010246313 [0,1,0,0,0,0|2,1,0]=4 1952 B17R2.353364 COC(=O)CSc1cccc2c1ncnc2 62a_100010246313_100000747449 [0,1,0,0,0,0|2,1,0]=4 1953 B17R2.353364 COC(=O)CSc1ccnc2c1cccc2 62a_100000747449_100011215880 [0,1,0,0,0,0|1,1,0]=3 1954 B17R2.353364 COC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747449 [0,1,0,0,0,0|1,1,0]=3 1955 B17R2.353364 COC(=O)CSc1ccnc2c1cccn2 62a_100000087570_100000747449 [0,1,0,0,0,0|2,1,0]=4 1956 B17R2.353364 COC(=O)CSc1ccnc2c1cccn2 62a_100000747449_100000087570 [0,1,0,0,0,0|2,1,0]=4 1957 B17R2.353364 COC(=O)CSc1ccnc2c1cncc2 62a_100000095135_100000747449 [0,1,0,0,0,0|2,1,0]=4 1958 B17R2.353364 COC(=O)CSc1ccnc2c1cncc2 62a_100000747449_100000095135 [0,1,0,0,0,0|2,1,0]=4 1959 B17R2.353364 COC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747449 [0,1,0,0,0,0|1,1,0]=3 1960 B17R2.353364 COC(=O)CSc1cncc2c1cccc2 62a_100000747449_100000187577 [0,1,0,0,0,0|1,1,0]=3 1961 B17R2.353364 COC(=O)CSc1cncc2c1cccn2 62a_100000747449_100010211308 [0,1,0,0,0,0|2,1,0]=4 1962 B17R2.353364 COC(=O)CSc1cncc2c1cccn2 62a_100010211308_100000747449 [0,1,0,0,0,0|2,1,0]=4 1963 B17R2.353364 COC(=O)CSc1cncc2c1ccnc2 62a_100000747449_100010134378 [0,1,0,0,0,0|2,1,0]=4 1964 B17R2.353364 COC(=O)CSc1cncc2c1ccnc2 62a_100010134378_100000747449 [0,1,0,0,0,0|2,1,0]=4 1965 B17R2.353364 COC(=O)CSc1cnnc2c1cccc2 62a_100000747449_100000063506 [0,1,0,0,0,0|2,1,0]=4 1966 B17R2.353364 COC(=O)CSc1nccc2c1cccc2 62a_100000747449_100011934041 [0,1,0,0,0,0|1,1,0]=3 1967 B17R2.353364 COC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747449 [0,1,0,0,0,0|1,1,0]=3 1968 B17R2.353364 COC(=O)CSc1nccc2c1cccn2 62a_100000747449_100000077681 [0,1,0,0,0,0|2,1,0]=4 1969 B17R2.353364 COC(=O)CSc1nccc2c1cncc2 62a_100000747449_100000116921 [0,1,0,0,0,0|2,1,0]=4 1970 B17R2.353364 COC(=O)CSc1nccc2c1cncc2 62a_200010063730_100000747449 [0,1,0,0,0,0|2,1,0]=4 1971 B17R2.353364 COC(=O)CSc1nccc2c1nccc2 62a_100000747449_100010063729 [0,1,0,0,0,0|2,1,0]=4 1972 B17R2.353364 COC(=O)CSc1ncnc2c1cccc2 62a_100000747449_100000217608 [0,1,0,0,0,0|2,1,0]=4 1973 B17R2.353364 COC(=O)CSc1ncnc2c1cccc2 62a_100000753007_100000747449 [0,1,0,0,0,0|2,1,0]=4 1974 B17R2.353364 COC(=O)CSc1nncc2c1cccc2 62a_100000747449_100025712358 [0,1,0,0,0,0|2,1,0]=4 1975 B17R2.353364 C[C@@H](CO)CNc1cccc2c1cccc2 34a_100000185869_100000059175 [0,1,0,0,0,0|2,0,1]=4 1976 B17R2.353364 C[C@@H](CO)COc1cccc2c1cccc2 34a_100000210388_100000059175 [0,1,0,0,0,0|1,0,1]=3 1977 B17R2.353364 C[C@@H](CO)COc1cccc2c1cccc2 7a_100000210388_100000059175 [0,1,0,0,0,0|1,0,1]=3 1978 B17R2.353364 C[C@@H](CO)COc1cccc2c1cccn2 34a_100011197808_100000059175 [0,1,0,0,0,0|2,0,1]=4 1979 B17R2.353364 C[C@@H](CO)COc1cccc2c1ccnc2 34a_100011218533_100000059175 [0,1,0,0,0,0|2,0,1]=4 1980 B17R2.353364 C[C@@H](CO)COc1cccc2c1cncc2 34a_103624766955_100000059175 [0,1,0,0,0,0|2,0,1]=4 1981 B17R2.353364 C[C@@H](CO)COc1cccc2c1nccc2 34a_100000056035_100000059175 [0,1,0,0,0,0|2,0,1]=4 1982 B17R2.353364 C[C@@H](CO)COc1cncc2c1cccc2 34a_100000066178_100000059175 [0,1,0,0,0,0|2,0,1]=4 1983 B17R2.353364 C[C@@H](CO)COc1cncc2c1cccc2 7a_100000066178_100000059175 [0,1,0,0,0,0|2,0,1]=4 1984 B17R2.353364 C[C@@H](CO)COc1nccc2c1cccc2 34a_102531767632_100000059175 [0,1,0,0,0,0|2,0,1]=4 1985 B17R2.353364 C[C@@H](CO)CSc1cccc2c1cccc2 62a_100000059175_100000210605 [0,1,0,0,0,0|1,1,1]=4 1986 B17R2.353364 O=C(C=Cc1cccc2c1cccc2)CF 1458a_100000735324_100015361967 [0,1,0,0,0,0|2,0,1]=4 1987 B17R2.353364 O=C(CF)CCc1cccc2c1cccc2 1458a_100011218451_100015361967 [0,1,0,0,0,0|2,0,0]=3 1988 B17R2.353364 O=C(CF)COc1cccc2c1cccc2 1458a_100000183701_100015361967 [0,1,0,0,0,0|1,0,0]=2 1989 B17R2.353364 O=C(CF)COc1cccc2c1nccc2 1458a_100000182336_100015361967 [0,1,0,0,0,0|2,0,0]=3 1990 B17R2.353364 O=C(CF)COc1ncnc2c1cccc2 1458a_100000216300_100015361967 [0,1,0,0,0,0|3,0,0]=4 1991 B17R2.353364 O=C(CO)CCc1cccc2c1cccc2 1458a_100000210174_100011290781 [0,1,0,0,0,0|1,0,0]=2 1992 B17R2.353364 O=C(CO)NCc1cccc2c1cccc2 240690a_100000753325_100000210174 [0,1,0,0,0,0|2,0,0]=3 1993 B17R2.353364 O=C(CO)NCc1cccc2c1cccc2 527a_100000753325_100000210174 [0,1,0,0,0,0|2,0,0]=3 1994 B17R2.353364 O=C(CO)NCc1cccc2c1cccn2 240690a_100020628785_100000210174 [0,1,0,0,0,0|3,0,0]=4 1995 B17R2.353364 O=C(CO)NCc1cccc2c1cccn2 527a_100020628785_100000210174 [0,1,0,0,0,0|3,0,0]=4 1996 B17R2.353364 O=C(CO)NCc1cccc2c1ccnc2 240690a_100011757365_100000210174 [0,1,0,0,0,0|3,0,0]=4 1997 B17R2.353364 O=C(CO)NCc1cccc2c1ccnc2 527a_100011757365_100000210174 [0,1,0,0,0,0|3,0,0]=4 1998 B17R2.353364 O=C(CO)NCc1cccc2c1nccc2 240690a_100011195829_100000210174 [0,1,0,0,0,0|3,0,0]=4 1999 B17R2.353364 O=C(CO)NCc1cccc2c1nccc2 527a_100011195829_100000210174 [0,1,0,0,0,0|3,0,0]=4 2000 B17R2.353364 O=C(CO)NCc1ccnc2c1cccc2 240690a_100015187208_100000210174 [0,1,0,0,0,0|3,0,0]=4 2001 B17R2.353364 O=C(CO)NCc1ccnc2c1cccc2 527a_100015187208_100000210174 [0,1,0,0,0,0|3,0,0]=4 2002 B17R2.353364 O=C(CO)NCc1nccc2c1cccc2 240690a_100000735229_100000210174 [0,1,0,0,0,0|3,0,0]=4 2003 B17R2.353364 O=C(CO)NCc1nccc2c1cccc2 527a_100000735229_100000210174 [0,1,0,0,0,0|3,0,0]=4 2004 B17R2.353364 O=C(CO)NNc1cccc2c1cccc2 22a_100000006939_100000210174 [0,1,0,0,0,0|2,0,0]=3 2005 B17R2.353364 O=C(CO)NNc1cccc2c1ccnc2 22a_100000716453_100000210174 [0,1,0,0,0,0|3,0,0]=4 2006 B17R2.353364 O=C(CO)NNc1cccc2c1nccc2 22a_100015200115_100000210174 [0,1,0,0,0,0|3,0,0]=4 2007 B17R2.353364 O=C(CO)NNc1ccnc2c1cccc2 22a_100020605206_100000210174 [0,1,0,0,0,0|3,0,0]=4 2008 B17R2.353364 O=C(CO)NNc1nccc2c1cccc2 22a_100015186920_100000210174 [0,1,0,0,0,0|3,0,0]=4 2009 B17R2.353364 OCC(O)CNc1cccc2c1cccc2 34a_100000185869_100011219619 [0,1,0,0,0,0|1,0,2]=4 2010 B17R2.353364 OCC(O)COc1cccc2c1cccc2 34a_100000210388_100011219619 [0,1,0,0,0,0|0,0,2]=3 2011 B17R2.353364 OCC(O)COc1cccc2c1cccc2 7a_100000210388_100011219619 [0,1,0,0,0,0|0,0,2]=3 2012 B17R2.353364 OCC(O)COc1cccc2c1cccn2 34a_100011197808_100011219619 [0,1,0,0,0,0|1,0,2]=4 2013 B17R2.353364 OCC(O)COc1cccc2c1ccnc2 34a_100011218533_100011219619 [0,1,0,0,0,0|1,0,2]=4 2014 B17R2.353364 OCC(O)COc1cccc2c1cncc2 34a_103624766955_100011219619 [0,1,0,0,0,0|1,0,2]=4 2015 B17R2.353364 OCC(O)COc1cccc2c1nccc2 34a_100000056035_100011219619 [0,1,0,0,0,0|1,0,2]=4 2016 B17R2.353364 OCC(O)COc1cncc2c1cccc2 34a_100000066178_100011219619 [0,1,0,0,0,0|1,0,2]=4 2017 B17R2.353364 OCC(O)COc1cncc2c1cccc2 7a_100000066178_100011219619 [0,1,0,0,0,0|1,0,2]=4 2018 B17R2.353364 OCC(O)COc1nccc2c1cccc2 34a_102531767632_100011219619 [0,1,0,0,0,0|1,0,2]=4 2019 B17R2.353364 OCC(O)CSc1cccc2c1cccc2 62a_100011219619_100000210605 [0,1,0,0,0,0|0,1,2]=4 2020 B17R2.353364 OC[C@H](O)CNc1cccc2c1cccc2 34a_100000185869_100009815848 [0,1,0,0,0,0|1,0,2]=4 2021 B17R2.353364 OC[C@H](O)COc1cccc2c1cccc2 34a_100000210388_100009815848 [0,1,0,0,0,0|0,0,2]=3 2022 B17R2.353364 OC[C@H](O)COc1cccc2c1cccc2 7a_100000210388_100009815848 [0,1,0,0,0,0|0,0,2]=3 2023 B17R2.353364 OC[C@H](O)COc1cccc2c1cccn2 34a_100011197808_100009815848 [0,1,0,0,0,0|1,0,2]=4 2024 B17R2.353364 OC[C@H](O)COc1cccc2c1ccnc2 34a_100011218533_100009815848 [0,1,0,0,0,0|1,0,2]=4 2025 B17R2.353364 OC[C@H](O)COc1cccc2c1cncc2 34a_103624766955_100009815848 [0,1,0,0,0,0|1,0,2]=4 2026 B17R2.353364 OC[C@H](O)COc1cccc2c1nccc2 34a_100000056035_100009815848 [0,1,0,0,0,0|1,0,2]=4 2027 B17R2.353364 OC[C@H](O)COc1cncc2c1cccc2 34a_100000066178_100009815848 [0,1,0,0,0,0|1,0,2]=4 2028 B17R2.353364 OC[C@H](O)COc1cncc2c1cccc2 7a_100000066178_100009815848 [0,1,0,0,0,0|1,0,2]=4 2029 B17R2.353364 OC[C@H](O)COc1nccc2c1cccc2 34a_102531767632_100009815848 [0,1,0,0,0,0|1,0,2]=4 2030 B17R2.353364 OC[C@H](O)CSc1cccc2c1cccc2 62a_100009815848_100000210605 [0,1,0,0,0,0|0,1,2]=4 2031 B17R2.353364 O[C@@H](CF)CNc1cccc2c1cccc2 34a_100000185869_100015614560 [0,1,0,0,0,0|2,0,1]=4 2032 B17R2.353364 O[C@@H](CF)COc1cccc2c1cccc2 34a_100000210388_100015614560 [0,1,0,0,0,0|1,0,1]=3 2033 B17R2.353364 O[C@@H](CF)COc1cccc2c1cccc2 7a_100000210388_100015614560 [0,1,0,0,0,0|1,0,1]=3 2034 B17R2.353364 O[C@@H](CF)COc1cccc2c1cccn2 34a_100011197808_100015614560 [0,1,0,0,0,0|2,0,1]=4 2035 B17R2.353364 O[C@@H](CF)COc1cccc2c1ccnc2 34a_100011218533_100015614560 [0,1,0,0,0,0|2,0,1]=4 2036 B17R2.353364 O[C@@H](CF)COc1cccc2c1cncc2 34a_103624766955_100015614560 [0,1,0,0,0,0|2,0,1]=4 2037 B17R2.353364 O[C@@H](CF)COc1cccc2c1nccc2 34a_100000056035_100015614560 [0,1,0,0,0,0|2,0,1]=4 2038 B17R2.353364 O[C@@H](CF)COc1cncc2c1cccc2 34a_100000066178_100015614560 [0,1,0,0,0,0|2,0,1]=4 2039 B17R2.353364 O[C@@H](CF)COc1cncc2c1cccc2 7a_100000066178_100015614560 [0,1,0,0,0,0|2,0,1]=4 2040 B17R2.353364 O[C@@H](CF)COc1nccc2c1cccc2 34a_102531767632_100015614560 [0,1,0,0,0,0|2,0,1]=4 2041 B17R2.353364 O[C@@H](CF)CSc1cccc2c1cccc2 62a_100015614560_100000210605 [0,1,0,0,0,0|1,1,1]=4 2042 B17R2.520754 CC(=O)C(C)Oc1cccc2c1CC=CC2 7a_100000074931_100000179758 [0,1,0,0,0,0|1,0,2]=4 2043 B17R2.520754 CC(=O)C(C)Oc1cccc2c1cccc2 1458a_100000216494_200000210301 [0,1,0,0,0,0|1,0,0]=2 2044 B17R2.520754 CC(=O)C(C)Oc1cccc2c1cccc2 7a_100000210388_100000179758 [0,1,0,0,0,0|1,0,0]=2 2045 B17R2.520754 CC(=O)C(C)Oc1cncc2c1cccc2 7a_100000066178_100000179758 [0,1,0,0,0,0|2,0,0]=3 2046 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cccc2 62a_100009814033_100000210605 [0,1,0,0,0,0|1,1,0]=3 2047 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cccn2 62a_100009814033_100011290932 [0,1,0,0,0,0|2,1,0]=4 2048 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cccn2 62a_100011290932_100009814033 [0,1,0,0,0,0|2,1,0]=4 2049 B17R2.520754 CC(=O)C(C)Sc1cccc2c1ccnc2 62a_100000186358_100009814033 [0,1,0,0,0,0|2,1,0]=4 2050 B17R2.520754 CC(=O)C(C)Sc1cccc2c1ccnc2 62a_100009814033_100000186358 [0,1,0,0,0,0|2,1,0]=4 2051 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cncc2 62a_100000685578_100009814033 [0,1,0,0,0,0|2,1,0]=4 2052 B17R2.520754 CC(=O)C(C)Sc1cccc2c1cncc2 62a_100009814033_100000685578 [0,1,0,0,0,0|2,1,0]=4 2053 B17R2.520754 CC(=O)C(C)Sc1cccc2c1nccc2 62a_100009814033_100011215545 [0,1,0,0,0,0|2,1,0]=4 2054 B17R2.520754 CC(=O)C(C)Sc1ccnc2c1cccc2 62a_100009814033_100011215880 [0,1,0,0,0,0|2,1,0]=4 2055 B17R2.520754 CC(=O)C(C)Sc1ccnc2c1cccc2 62a_100011458314_100009814033 [0,1,0,0,0,0|2,1,0]=4 2056 B17R2.520754 CC(=O)C(C)Sc1cncc2c1cccc2 62a_100000187577_100009814033 [0,1,0,0,0,0|2,1,0]=4 2057 B17R2.520754 CC(=O)C(C)Sc1cncc2c1cccc2 62a_100009814033_100000187577 [0,1,0,0,0,0|2,1,0]=4 2058 B17R2.520754 CC(=O)C(C)Sc1nccc2c1cccc2 62a_100009814033_100011934041 [0,1,0,0,0,0|2,1,0]=4 2059 B17R2.520754 CC(=O)C(C)Sc1nccc2c1cccc2 62a_100011934041_100009814033 [0,1,0,0,0,0|2,1,0]=4 2060 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccc2 11a_100000741213_100015343762 [0,1,0,0,0,0|3,0,0]=4 2061 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccc2 240690a_100000741213_100015343762 [0,1,0,0,0,0|3,0,0]=4 2062 B17R2.520754 CC(=O)N(C)Cc1cccc2c1cccc2 527a_100000741213_100103153847 [0,1,0,0,0,0|3,0,0]=4 2063 B17R2.520754 CC(Nc1cccc2c1cccc2)C(=O)N 34a_100000185869_100000702099 [0,1,0,0,0,0|2,0,0]=3 2064 B17R2.520754 CC(Nc1cccc2c1cccn2)C(=O)N 34a_100000183906_100000702099 [0,1,0,0,0,0|3,0,0]=4 2065 B17R2.520754 CC(Nc1cccc2c1nccc2)C(=O)N 34a_100000181377_100000702099 [0,1,0,0,0,0|3,0,0]=4 2066 B17R2.520754 CC(Oc1cccc2c1CC=CC2)C(=O)N 34a_100000074931_100000702099 [0,1,0,0,0,0|1,0,2]=4 2067 B17R2.520754 CC(Oc1cccc2c1CC=CC2)C(=O)N 7a_100000074931_100000702099 [0,1,0,0,0,0|1,0,2]=4 2068 B17R2.520754 CC(Oc1cccc2c1cccc2)C(=O)N 34a_100000210388_100000702099 [0,1,0,0,0,0|1,0,0]=2 2069 B17R2.520754 CC(Oc1cccc2c1cccc2)C(=O)N 7a_100000210388_100000702099 [0,1,0,0,0,0|1,0,0]=2 2070 B17R2.520754 CC(Oc1cccc2c1cccc2)C(=O)[13CH3] 1458a_100000216494_200025704644 [0,1,0,0,0,0|1,0,0]=2 2071 B17R2.520754 CC(Oc1cccc2c1cccn2)C(=O)N 34a_100011197808_100000702099 [0,1,0,0,0,0|2,0,0]=3 2072 B17R2.520754 CC(Oc1cccc2c1ccnc2)C(=O)N 34a_100011218533_100000702099 [0,1,0,0,0,0|2,0,0]=3 2073 B17R2.520754 CC(Oc1cccc2c1cncc2)C(=O)N 34a_103624766955_100000702099 [0,1,0,0,0,0|2,0,0]=3 2074 B17R2.520754 CC(Oc1cccc2c1nccc2)C(=O)N 34a_100000056035_100000702099 [0,1,0,0,0,0|2,0,0]=3 2075 B17R2.520754 CC(Oc1cccc2c1nccn2)C(=O)N 34a_100000077048_100000702099 [0,1,0,0,0,0|3,0,0]=4 2076 B17R2.520754 CC(Oc1cccc2c1ncnc2)C(=O)N 34a_200000077003_100000702099 [0,1,0,0,0,0|3,0,0]=4 2077 B17R2.520754 CC(Oc1cncc2c1cccc2)C(=O)N 34a_100000066178_100000702099 [0,1,0,0,0,0|2,0,0]=3 2078 B17R2.520754 CC(Oc1cncc2c1cccc2)C(=O)N 7a_100000066178_100000702099 [0,1,0,0,0,0|2,0,0]=3 2079 B17R2.520754 CC(Oc1nccc2c1cccc2)C(=O)N 34a_102531767632_100000702099 [0,1,0,0,0,0|2,0,0]=3 2080 B17R2.520754 CC(Sc1cccc2c1cccc2)C(=O)N 62a_100000702099_100000210605 [0,1,0,0,0,0|1,1,0]=3 2081 B17R2.520754 CC(Sc1cccc2c1cccn2)C(=O)N 62a_100000702099_100011290932 [0,1,0,0,0,0|2,1,0]=4 2082 B17R2.520754 CC(Sc1cccc2c1cccn2)C(=O)N 62a_100011290932_100000702099 [0,1,0,0,0,0|2,1,0]=4 2083 B17R2.520754 CC(Sc1cccc2c1ccnc2)C(=O)N 62a_100000186358_100000702099 [0,1,0,0,0,0|2,1,0]=4 2084 B17R2.520754 CC(Sc1cccc2c1ccnc2)C(=O)N 62a_100000702099_100000186358 [0,1,0,0,0,0|2,1,0]=4 2085 B17R2.520754 CC(Sc1cccc2c1cncc2)C(=O)N 62a_100000685578_100000702099 [0,1,0,0,0,0|2,1,0]=4 2086 B17R2.520754 CC(Sc1cccc2c1cncc2)C(=O)N 62a_100000702099_100000685578 [0,1,0,0,0,0|2,1,0]=4 2087 B17R2.520754 CC(Sc1cccc2c1nccc2)C(=O)N 62a_100000702099_100011215545 [0,1,0,0,0,0|2,1,0]=4 2088 B17R2.520754 CC(Sc1ccnc2c1cccc2)C(=O)N 62a_100000702099_100011215880 [0,1,0,0,0,0|2,1,0]=4 2089 B17R2.520754 CC(Sc1ccnc2c1cccc2)C(=O)N 62a_100011458314_100000702099 [0,1,0,0,0,0|2,1,0]=4 2090 B17R2.520754 CC(Sc1cncc2c1cccc2)C(=O)N 62a_100000187577_100000702099 [0,1,0,0,0,0|2,1,0]=4 2091 B17R2.520754 CC(Sc1cncc2c1cccc2)C(=O)N 62a_100000702099_100000187577 [0,1,0,0,0,0|2,1,0]=4 2092 B17R2.520754 CC(Sc1nccc2c1cccc2)C(=O)N 62a_100000702099_100011934041 [0,1,0,0,0,0|2,1,0]=4 2093 B17R2.520754 CC(Sc1nccc2c1cccc2)C(=O)N 62a_100011934041_100000702099 [0,1,0,0,0,0|2,1,0]=4 2094 B17R2.520754 C[C@@H](Nc1cccc2c1cccn2)C(=O)N 27a_100000119354_100011290932 [0,1,0,0,0,0|3,0,0]=4 2095 B17R2.520754 C[C@@H](Nc1ccnc2c1cccc2)C(=O)N 27a_100000119354_100011215880 [0,1,0,0,0,0|3,0,0]=4 2096 B17R2.520754 C[C@@H](Nc1nccc2c1cccc2)C(=O)N 27a_100000119354_100011934041 [0,1,0,0,0,0|3,0,0]=4 2097 B17R2.520754 NC(=O)C(=O)Nc1cccc2c1cccc2 22a_100000185869_100011215815 [0,1,0,0,0,0|2,0,1]=4 2098 B17R2.520754 NC(=O)C(F)Nc1cccc2c1cccc2 34a_100000185869_100009813875 [0,1,0,0,0,0|2,0,0]=3 2099 B17R2.520754 NC(=O)C(F)Nc1cccc2c1cccn2 34a_100000183906_100009813875 [0,1,0,0,0,0|3,0,0]=4 2100 B17R2.520754 NC(=O)C(F)Nc1cccc2c1nccc2 34a_100000181377_100009813875 [0,1,0,0,0,0|3,0,0]=4 2101 B17R2.520754 NC(=O)C(F)Oc1cccc2c1CC=CC2 34a_100000074931_100009813875 [0,1,0,0,0,0|1,0,2]=4 2102 B17R2.520754 NC(=O)C(F)Oc1cccc2c1CC=CC2 7a_100000074931_100009813875 [0,1,0,0,0,0|1,0,2]=4 2103 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cccc2 34a_100000210388_100009813875 [0,1,0,0,0,0|1,0,0]=2 2104 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cccc2 7a_100000210388_100009813875 [0,1,0,0,0,0|1,0,0]=2 2105 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cccn2 34a_100011197808_100009813875 [0,1,0,0,0,0|2,0,0]=3 2106 B17R2.520754 NC(=O)C(F)Oc1cccc2c1ccnc2 34a_100011218533_100009813875 [0,1,0,0,0,0|2,0,0]=3 2107 B17R2.520754 NC(=O)C(F)Oc1cccc2c1cncc2 34a_103624766955_100009813875 [0,1,0,0,0,0|2,0,0]=3 2108 B17R2.520754 NC(=O)C(F)Oc1cccc2c1nccc2 34a_100000056035_100009813875 [0,1,0,0,0,0|2,0,0]=3 2109 B17R2.520754 NC(=O)C(F)Oc1cccc2c1nccn2 34a_100000077048_100009813875 [0,1,0,0,0,0|3,0,0]=4 2110 B17R2.520754 NC(=O)C(F)Oc1cccc2c1ncnc2 34a_200000077003_100009813875 [0,1,0,0,0,0|3,0,0]=4 2111 B17R2.520754 NC(=O)C(F)Oc1cncc2c1cccc2 34a_100000066178_100009813875 [0,1,0,0,0,0|2,0,0]=3 2112 B17R2.520754 NC(=O)C(F)Oc1cncc2c1cccc2 7a_100000066178_100009813875 [0,1,0,0,0,0|2,0,0]=3 2113 B17R2.520754 NC(=O)C(F)Oc1nccc2c1cccc2 34a_102531767632_100009813875 [0,1,0,0,0,0|2,0,0]=3 2114 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cccc2 62a_100009813875_100000210605 [0,1,0,0,0,0|1,1,0]=3 2115 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cccn2 62a_100009813875_100011290932 [0,1,0,0,0,0|2,1,0]=4 2116 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cccn2 62a_100011290932_100009813875 [0,1,0,0,0,0|2,1,0]=4 2117 B17R2.520754 NC(=O)C(F)Sc1cccc2c1ccnc2 62a_100000186358_100009813875 [0,1,0,0,0,0|2,1,0]=4 2118 B17R2.520754 NC(=O)C(F)Sc1cccc2c1ccnc2 62a_100009813875_100000186358 [0,1,0,0,0,0|2,1,0]=4 2119 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cncc2 62a_100000685578_100009813875 [0,1,0,0,0,0|2,1,0]=4 2120 B17R2.520754 NC(=O)C(F)Sc1cccc2c1cncc2 62a_100009813875_100000685578 [0,1,0,0,0,0|2,1,0]=4 2121 B17R2.520754 NC(=O)C(F)Sc1cccc2c1nccc2 62a_100009813875_100011215545 [0,1,0,0,0,0|2,1,0]=4 2122 B17R2.520754 NC(=O)C(F)Sc1ccnc2c1cccc2 62a_100009813875_100011215880 [0,1,0,0,0,0|2,1,0]=4 2123 B17R2.520754 NC(=O)C(F)Sc1ccnc2c1cccc2 62a_100011458314_100009813875 [0,1,0,0,0,0|2,1,0]=4 2124 B17R2.520754 NC(=O)C(F)Sc1cncc2c1cccc2 62a_100000187577_100009813875 [0,1,0,0,0,0|2,1,0]=4 2125 B17R2.520754 NC(=O)C(F)Sc1cncc2c1cccc2 62a_100009813875_100000187577 [0,1,0,0,0,0|2,1,0]=4 2126 B17R2.520754 NC(=O)C(F)Sc1nccc2c1cccc2 62a_100009813875_100011934041 [0,1,0,0,0,0|2,1,0]=4 2127 B17R2.520754 NC(=O)C(F)Sc1nccc2c1cccc2 62a_100011934041_100009813875 [0,1,0,0,0,0|2,1,0]=4 2128 B17R2.520754 O=C([O-])C(F)Nc1cccc2c1cccc2 34a_100000185869_100020610796 [0,1,0,0,0,0|1,0,1]=3 2129 B17R2.520754 O=C([O-])C(F)Nc1cccc2c1cccn2 34a_100000183906_100020610796 [0,1,0,0,0,0|2,0,1]=4 2130 B17R2.520754 O=C([O-])C(F)Nc1cccc2c1nccc2 34a_100000181377_100020610796 [0,1,0,0,0,0|2,0,1]=4 2131 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1CC=CC2 34a_100000074931_100020610796 [0,1,0,0,0,0|0,0,3]=4 2132 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1cccc2 34a_100000210388_100020610796 [0,1,0,0,0,0|0,0,1]=2 2133 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1cccn2 34a_100011197808_100020610796 [0,1,0,0,0,0|1,0,1]=3 2134 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1ccnc2 34a_100011218533_100020610796 [0,1,0,0,0,0|1,0,1]=3 2135 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1cncc2 34a_103624766955_100020610796 [0,1,0,0,0,0|1,0,1]=3 2136 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1nccc2 34a_100000056035_100020610796 [0,1,0,0,0,0|1,0,1]=3 2137 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1nccn2 34a_100000077048_100020610796 [0,1,0,0,0,0|2,0,1]=4 2138 B17R2.520754 O=C([O-])C(F)Oc1cccc2c1ncnc2 34a_200000077003_100020610796 [0,1,0,0,0,0|2,0,1]=4 2139 B17R2.520754 O=C([O-])C(F)Oc1cncc2c1cccc2 34a_100000066178_100020610796 [0,1,0,0,0,0|1,0,1]=3 2140 B17R2.520754 O=C([O-])C(F)Oc1nccc2c1cccc2 34a_102531767632_100020610796 [0,1,0,0,0,0|1,0,1]=3 2141 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cccc2 62a_100020610796_100000210605 [0,1,0,0,0,0|0,1,1]=3 2142 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cccn2 62a_100011290932_100020610796 [0,1,0,0,0,0|1,1,1]=4 2143 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cccn2 62a_100020610796_100011290932 [0,1,0,0,0,0|1,1,1]=4 2144 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1ccnc2 62a_100000186358_100020610796 [0,1,0,0,0,0|1,1,1]=4 2145 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1ccnc2 62a_100020610796_100000186358 [0,1,0,0,0,0|1,1,1]=4 2146 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cncc2 62a_100000685578_100020610796 [0,1,0,0,0,0|1,1,1]=4 2147 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1cncc2 62a_100020610796_100000685578 [0,1,0,0,0,0|1,1,1]=4 2148 B17R2.520754 O=C([O-])C(F)Sc1cccc2c1nccc2 62a_100020610796_100011215545 [0,1,0,0,0,0|1,1,1]=4 2149 B17R2.520754 O=C([O-])C(F)Sc1ccnc2c1cccc2 62a_100011458314_100020610796 [0,1,0,0,0,0|1,1,1]=4 2150 B17R2.520754 O=C([O-])C(F)Sc1ccnc2c1cccc2 62a_100020610796_100011215880 [0,1,0,0,0,0|1,1,1]=4 2151 B17R2.520754 O=C([O-])C(F)Sc1cncc2c1cccc2 62a_100000187577_100020610796 [0,1,0,0,0,0|1,1,1]=4 2152 B17R2.520754 O=C([O-])C(F)Sc1cncc2c1cccc2 62a_100020610796_100000187577 [0,1,0,0,0,0|1,1,1]=4 2153 B17R2.520754 O=C([O-])C(F)Sc1nccc2c1cccc2 62a_100011934041_100020610796 [0,1,0,0,0,0|1,1,1]=4 2154 B17R2.520754 O=C([O-])C(F)Sc1nccc2c1cccc2 62a_100020610796_100011934041 [0,1,0,0,0,0|1,1,1]=4 2155 B17R2.533832 CC(C)(C)COc1cccc2c1cccc2 34a_100000210388_100011219605 [0,1,0,0,0,0|2,0,1]=4 2156 B17R2.533832 CC(C)(F)COc1cccc2c1cccc2 34a_100000210388_100011997219 [0,1,0,0,0,0|2,0,1]=4 2157 B17R2.533832 CC(C)(O)CNc1cccc2c1cccc2 34a_100000185869_100000764493 [0,1,0,0,0,0|2,0,1]=4 2158 B17R2.533832 CC(C)(O)COc1cccc2c1cccc2 34a_100000210388_100000764493 [0,1,0,0,0,0|1,0,1]=3 2159 B17R2.533832 CC(C)(O)COc1cccc2c1cccc2 7a_100000210388_100000764493 [0,1,0,0,0,0|1,0,1]=3 2160 B17R2.533832 CC(C)(O)COc1cccc2c1cccn2 34a_100011197808_100000764493 [0,1,0,0,0,0|2,0,1]=4 2161 B17R2.533832 CC(C)(O)COc1cccc2c1ccnc2 34a_100011218533_100000764493 [0,1,0,0,0,0|2,0,1]=4 2162 B17R2.533832 CC(C)(O)COc1cccc2c1cncc2 34a_103624766955_100000764493 [0,1,0,0,0,0|2,0,1]=4 2163 B17R2.533832 CC(C)(O)COc1cccc2c1nccc2 34a_100000056035_100000764493 [0,1,0,0,0,0|2,0,1]=4 2164 B17R2.533832 CC(C)(O)COc1cncc2c1cccc2 34a_100000066178_100000764493 [0,1,0,0,0,0|2,0,1]=4 2165 B17R2.533832 CC(C)(O)COc1cncc2c1cccc2 7a_100000066178_100000764493 [0,1,0,0,0,0|2,0,1]=4 2166 B17R2.533832 CC(C)(O)COc1nccc2c1cccc2 34a_102531767632_100000764493 [0,1,0,0,0,0|2,0,1]=4 2167 B17R2.533832 CC(C)(O)CSc1cccc2c1cccc2 62a_100000764493_100000210605 [0,1,0,0,0,0|1,1,1]=4 2168 B17R2.533832 C[Si](C)(C)COc1cccc2c1cccc2 7a_100000210388_100000233785 [0,1,0,0,0,0|2,1,0]=4 2169 B17R2.533832 NS(=O)(=O)CSc1cccc2c1cccc2 62a_100000741382_100000210605 [0,1,0,0,0,0|1,1,1]=4 2170 B17R2.533832 O=S(=O)([O-])CNc1cccc2c1cccc2 34a_100000185869_100009817235 [0,1,0,0,0,0|2,0,1]=4 2171 B17R2.533832 O=S(=O)([O-])COc1cccc2c1cccc2 34a_100000210388_100009817235 [0,1,0,0,0,0|1,0,1]=3 2172 B17R2.533832 O=S(=O)([O-])COc1cccc2c1cccn2 34a_100011197808_100009817235 [0,1,0,0,0,0|2,0,1]=4 2173 B17R2.533832 O=S(=O)([O-])COc1cccc2c1ccnc2 34a_100011218533_100009817235 [0,1,0,0,0,0|2,0,1]=4 2174 B17R2.533832 O=S(=O)([O-])COc1cccc2c1cncc2 34a_103624766955_100009817235 [0,1,0,0,0,0|2,0,1]=4 2175 B17R2.533832 O=S(=O)([O-])COc1cccc2c1nccc2 34a_100000056035_100009817235 [0,1,0,0,0,0|2,0,1]=4 2176 B17R2.533832 O=S(=O)([O-])COc1cncc2c1cccc2 34a_100000066178_100009817235 [0,1,0,0,0,0|2,0,1]=4 2177 B17R2.533832 O=S(=O)([O-])COc1nccc2c1cccc2 34a_102531767632_100009817235 [0,1,0,0,0,0|2,0,1]=4 2178 B17R2.533832 O=S(=O)([O-])CSc1cccc2c1cccc2 62a_100009817235_100000210605 [0,1,0,0,0,0|1,1,1]=4 2179 B17R2.712041 C=C(C)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100000748629 [0,1,0,0,0,0|3,0,0]=4 2180 B17R2.712041 C=C(C)CN(C)c1cccc2c1cccc2 2230a_100000220138_100000748629 [0,1,0,0,0,0|3,0,0]=4 2181 B17R2.712041 C=C(C)CN(C)c1cccc2c1cccc2 269982a_100000220138_100000748629 [0,1,0,0,0,0|3,0,0]=4 2182 B17R2.712041 C=C(C)CN(C)c1cccc2c1cccc2 34a_100000220138_100000748629 [0,1,0,0,0,0|3,0,0]=4 2183 B17R2.712041 C=C(F)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100009893438 [0,1,0,0,0,0|3,0,0]=4 2184 B17R2.712041 C=C(F)CN(C)c1cccc2c1cccc2 2230a_100000220138_100009893438 [0,1,0,0,0,0|3,0,0]=4 2185 B17R2.712041 C=C(F)CN(C)c1cccc2c1cccc2 269982a_100000220138_100009893438 [0,1,0,0,0,0|3,0,0]=4 2186 B17R2.712041 C=C(F)CN(C)c1cccc2c1cccc2 34a_100000220138_100009893438 [0,1,0,0,0,0|3,0,0]=4 2187 B17R2.712041 CC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000070787_100000211450 [0,1,0,0,0,0|2,0,0]=3 2188 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 11a_100011830313_100015343762 [0,1,0,0,0,0|3,0,0]=4 2189 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 1626a_100011830313_100015343762 [0,1,0,0,0,0|3,0,0]=4 2190 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 240690a_100011830313_100015343762 [0,1,0,0,0,0|3,0,0]=4 2191 B17R2.712041 CC(=O)N[C@@H](C)c1cccc2c1cccc2 527a_100011830313_100103153847 [0,1,0,0,0,0|3,0,0]=4 2192 B17R2.712041 CC(O)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100011218427 [0,1,0,0,0,0|2,0,1]=4 2193 B17R2.712041 CC(O)CN(C)c1cccc2c1cccc2 2230a_100000220138_100011218427 [0,1,0,0,0,0|2,0,1]=4 2194 B17R2.712041 CC(O)CN(C)c1cccc2c1cccc2 269982a_100000220138_100011218427 [0,1,0,0,0,0|2,0,1]=4 2195 B17R2.712041 CC(O)CN(C)c1cccc2c1cccc2 34a_100000220138_100011218427 [0,1,0,0,0,0|2,0,1]=4 2196 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccc2 2230a_100000220138_100000747473 [0,1,0,0,0,0|2,0,0]=3 2197 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccc2 269982a_100000220138_100000187820 [0,1,0,0,0,0|2,0,0]=3 2198 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccc2 34a_100000220138_100000187820 [0,1,0,0,0,0|2,0,0]=3 2199 B17R2.712041 CN(CC(=O)N)c1cccc2c1cccn2 27a_100000739694_100011290932 [0,1,0,0,0,0|3,0,0]=4 2200 B17R2.712041 CN(CC(=O)N)c1ccnc2c1cccc2 27a_100000739694_100011215880 [0,1,0,0,0,0|3,0,0]=4 2201 B17R2.712041 CN(CC(=O)N)c1nccc2c1cccc2 27a_100000739694_100011934041 [0,1,0,0,0,0|3,0,0]=4 2202 B17R2.712041 CN(CC(=O)[O-])c1cccc2c1cccc2 269982a_100000220138_100020667443 [0,1,0,0,0,0|1,0,1]=3 2203 B17R2.712041 CN(CC(=O)[O-])c1cccc2c1cccc2 34a_100000220138_100020667443 [0,1,0,0,0,0|1,0,1]=3 2204 B17R2.712041 CN(C[N+](=O)[O-])c1cccc2c1cccc2 269982a_100000220138_100000761209 [0,1,0,0,0,0|2,0,1]=4 2205 B17R2.712041 CN(C[N+](=O)[O-])c1cccc2c1cccc2 34a_100000220138_100000761209 [0,1,0,0,0,0|2,0,1]=4 2206 B17R2.712041 C[C@@H](O)CN(C)c1cccc2c1cccc2 2230a_100000220138_100009817552 [0,1,0,0,0,0|2,0,1]=4 2207 B17R2.712041 C[C@@H](O)CN(C)c1cccc2c1cccc2 269982a_100000220138_100009817552 [0,1,0,0,0,0|2,0,1]=4 2208 B17R2.712041 C[C@@H](O)CN(C)c1cccc2c1cccc2 34a_100000220138_100009817552 [0,1,0,0,0,0|2,0,1]=4 2209 B17R2.712041 NC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100000187820 [0,1,0,0,0,0|2,0,0]=3 2210 B17R2.712041 NC(=O)CC(=O)c1cccc2c1cccn2 1458a_100000241005_100000187820 [0,1,0,0,0,0|3,0,0]=4 2211 B17R2.712041 NC(=O)CC(=O)c1cccc2c1ccnc2 1458a_100011290933_100000187820 [0,1,0,0,0,0|3,0,0]=4 2212 B17R2.712041 NC(=O)CC(=O)c1cccc2c1cncc2 1458a_100011356482_100000187820 [0,1,0,0,0,0|3,0,0]=4 2213 B17R2.712041 NC(=O)CC(=O)c1cccc2c1nccc2 1458a_100000195423_100000187820 [0,1,0,0,0,0|3,0,0]=4 2214 B17R2.712041 O=C(C[N+](=O)[O-])c1cccc2c1cccc2 1458a_100000210949_100000761209 [0,1,0,0,0,0|2,0,1]=4 2215 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1cccc2 1458a_100000210949_100020667443 [0,1,0,0,0,0|1,0,1]=3 2216 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1cccn2 1458a_100000241005_100020667443 [0,1,0,0,0,0|2,0,1]=4 2217 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1ccnc2 1458a_100011290933_100020667443 [0,1,0,0,0,0|2,0,1]=4 2218 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1cncc2 1458a_100011356482_100020667443 [0,1,0,0,0,0|2,0,1]=4 2219 B17R2.712041 O=C([O-])CC(=O)c1cccc2c1nccc2 1458a_100000195423_100020667443 [0,1,0,0,0,0|2,0,1]=4 2220 B15R1.86 C=Cc1ccccc1C(=O)OCC(=O)C 271570a_100011290941_201991511838 [0,0,1,0,0,0|2,0,0]=3 2221 B15R1.504 O=C(O)CONC/C=C/c1ccccc1 269956a_100000106656_100016265936 [0,0,1,0,0,0|1,0,1]=3 2222 B15R1.1036 C=CCSc1cccc(c1)OCC(=O)N 62a_100000210623_200000150604 [0,0,1,0,0,0|2,0,1]=4 2223 B15R1.1036 C=CCSc1cccc(c1)OCC(=O)N 62a_200000150604_100000210623 [0,0,1,0,0,0|2,0,1]=4 2224 B15R1.1051 C=CCOc1ccccc1OCC(=O)N 34a_200011262142_100000187820 [0,0,1,0,0,0|2,0,1]=4 2225 B15R1.1051 C=CCOc1ccccc1OCC(=O)N 7a_100000162348_100015514636 [0,0,1,0,0,0|2,0,1]=4 2226 B15R1.1051 C=CCOc1ccccc1OCC(=O)N 7a_200011262142_100000187820 [0,0,1,0,0,0|2,0,1]=4 2227 B15R1.1051 C=CCOc1ccccc1OCC(=O)[O-] 34a_200011262142_100020667443 [0,0,1,0,0,0|1,0,2]=4 2228 B15R1.1051 C=CCSc1ccccc1OCC(=O)N 62a_200000148491_100000210623 [0,0,1,0,0,0|2,0,1]=4 2229 B15R1.1051 NC(=O)CSc1ccccc1/C=C/C=O 62a_100000747473_200016268969 [0,0,1,0,0,0|2,1,0]=4 2230 B15R1.1051 NC(=O)CSc1ccccc1/C=C/C=O 62a_200016268969_100000747473 [0,0,1,0,0,0|2,1,0]=4 2231 B15R1.1051 O=C/C=C/c1ccccc1SCC(=O)[O-] 62a_100020667443_200016268969 [0,0,1,0,0,0|1,1,1]=4 2232 B15R1.1051 O=C/C=C/c1ccccc1SCC(=O)[O-] 62a_200016268969_100020667443 [0,0,1,0,0,0|1,1,1]=4 2233 B15R1.1299 C=CCC(OCC(=O)N)c1ccccc1 34a_100000687291_100000187820 [0,0,1,0,0,0|1,0,2]=4 2234 B15R1.1299 C=CCC(OCC(=O)N)c1ccccc1 7a_100000687291_100000187820 [0,0,1,0,0,0|1,0,2]=4 2235 B15R1.1299 C=CCC(OCC(=O)[O-])c1ccccc1 34a_100000687291_100020667443 [0,0,1,0,0,0|0,0,3]=4 2236 B17R3.31 Oc1ccc2c(c1)ccc3c2cccc3 271570a_203496583355_100010174298 [0,0,0,1,0,0|2,0,1]=4 2237 B17R3.1965 c1cc(c2cccnc2c1)OCC3CO3 34a_100011197808_102125554688 [0,0,0,1,0,0|2,0,1]=4 2238 B17R3.1965 c1cc(c2ccncc2c1)OCC3CO3 34a_100011218533_102125554688 [0,0,0,1,0,0|2,0,1]=4 2239 B17R3.1965 c1cc(c2cnccc2c1)OCC3CO3 34a_103624766955_102125554688 [0,0,0,1,0,0|2,0,1]=4 2240 B17R3.1965 c1ccc2c(cccc2c1)NCC3CO3 34a_100000185869_102125554688 [0,0,0,1,0,0|2,0,1]=4 2241 B17R3.1965 c1ccc2c(cccc2c1)OCC3CC3 34a_100000210388_100000742324 [0,0,0,1,0,0|2,0,1]=4 2242 B17R3.1965 c1ccc2c(cccc2c1)OCC3CC3 7a_100000210388_100000742324 [0,0,0,1,0,0|2,0,1]=4 2243 B17R3.1965 c1ccc2c(cccc2c1)OCC3CO3 34a_100000210388_102125554688 [0,0,0,1,0,0|1,0,1]=3 2244 B17R3.1965 c1ccc2c(cccc2c1)OCC3CO3 7a_100000210388_102125554688 [0,0,0,1,0,0|1,0,1]=3 2245 B17R3.1965 c1ccc2c(cccc2c1)OCC3CS3 7a_100000210388_100000031435 [0,0,0,1,0,0|1,1,1]=4 2246 B17R3.1965 c1ccc2c(cccc2c1)OC[C@@H]3CO3 7a_100000210388_100000745022 [0,0,0,1,0,0|1,0,1]=3 2247 B17R3.1965 c1ccc2c(cccc2c1)SCC3CO3 62a_102125554688_100000210605 [0,0,0,1,0,0|1,1,1]=4 2248 B17R3.1965 c1ccc2c(cccc2c1)SC[C@@H]3CO3 62a_100000745022_100000210605 [0,0,0,1,0,0|1,1,1]=4 2249 B17R3.1965 c1ccc2c(cncc2c1)OCC3CO3 34a_100000066178_102125554688 [0,0,0,1,0,0|2,0,1]=4 2250 B17R3.1965 c1ccc2c(cncc2c1)OCC3CO3 7a_100000066178_102125554688 [0,0,0,1,0,0|2,0,1]=4 2251 B17R3.1965 c1ccc2c(cncc2c1)OC[C@@H]3CO3 7a_100000066178_100000745022 [0,0,0,1,0,0|2,0,1]=4 2252 B17R3.1965 c1ccc2c(nccc2c1)OCC3CO3 34a_102531767632_102125554688 [0,0,0,1,0,0|2,0,1]=4 2253 B17R3.1965 c1cnc2c(cccc2c1)OCC3CO3 34a_100000056035_102125554688 [0,0,0,1,0,0|2,0,1]=4 2254 B15R2.6 C=C(C)COc1csc2c1cccc2 34a_100000077758_100000748629 [0,0,0,0,1,0|3,0,0]=4 2255 B15R2.6 C=C(C)COc1csc2c1cccc2 7a_100000077758_100000748629 [0,0,0,0,1,0|3,0,0]=4 2256 B15R2.6 C=C(F)COc1csc2c1cccc2 34a_100000077758_100009893438 [0,0,0,0,1,0|3,0,0]=4 2257 B15R2.6 C=C(F)COc1csc2c1cccc2 7a_100000077758_100000042424 [0,0,0,0,1,0|3,0,0]=4 2258 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [0,0,0,0,1,0|3,0,0]=4 2259 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [0,0,0,0,1,0|3,0,0]=4 2260 B15R2.6 CC(=O)CCn1ccc2c1cccc2 1458a_100000186764_200000210301 [0,0,0,0,1,0|3,0,0]=4 2261 B15R2.6 CC(O)COc1csc2c1cccc2 34a_100000077758_100011218427 [0,0,0,0,1,0|2,0,1]=4 2262 B15R2.6 CC(O)COc1csc2c1cccc2 7a_100000077758_100011218427 [0,0,0,0,1,0|2,0,1]=4 2263 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 34a_100000077758_100009817552 [0,0,0,0,1,0|2,0,1]=4 2264 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 7a_100000077758_100009817552 [0,0,0,0,1,0|2,0,1]=4 2265 B15R2.6 NC(=O)COc1csc2c1cccc2 34a_100000077758_100000187820 [0,0,0,0,1,0|2,0,0]=3 2266 B15R2.6 NC(=O)COc1csc2c1cccc2 7a_100000077758_100000187820 [0,0,0,0,1,0|2,0,0]=3 2267 B15R2.6 NC(=O)CSc1coc2c1cccc2 62a_100000747473_100009812202 [0,0,0,0,1,0|2,1,0]=4 2268 B15R2.6 NC(=O)CSc1csc2c1cccc2 62a_100000747473_100009813928 [0,0,0,0,1,0|2,1,0]=4 2269 B15R2.6 O=C([O-])COc1csc2c1cccc2 34a_100000077758_100020667443 [0,0,0,0,1,0|1,0,1]=3 2270 B15R2.6 O=C([O-])CSc1coc2c1cccc2 62a_100020667443_100009812202 [0,0,0,0,1,0|1,1,1]=4 2271 B15R2.6 O=C([O-])CSc1csc2c1cccc2 62a_100020667443_100009813928 [0,0,0,0,1,0|1,1,1]=4 2272 B15R2.6 O=[N+]([O-])COc1csc2c1cccc2 34a_100000077758_100000761209 [0,0,0,0,1,0|2,0,1]=4 2273 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [0,0,0,0,1,0|3,0,0]=4 2274 B15R2.6 [13CH3]C(=O)CCn1ccc2c1cccc2 1458a_100000186764_200025704644 [0,0,0,0,1,0|3,0,0]=4 2275 B15R2.19753 C=C(C)COc1cccc2c1cc[nH]2 34a_100000763377_100000748629 [0,0,0,0,1,0|3,0,0]=4 2276 B15R2.19753 C=C(C)COc1cccc2c1ccs2 34a_100000077759_100000748629 [0,0,0,0,1,0|3,0,0]=4 2277 B15R2.19753 C=C(C)COc1cccc2c1ccs2 7a_100000077759_100000748629 [0,0,0,0,1,0|3,0,0]=4 2278 B15R2.19753 C=C(F)COc1cccc2c1cc[nH]2 34a_100000763377_100009893438 [0,0,0,0,1,0|3,0,0]=4 2279 B15R2.19753 C=C(F)COc1cccc2c1ccs2 34a_100000077759_100009893438 [0,0,0,0,1,0|3,0,0]=4 2280 B15R2.19753 C=C(F)COc1cccc2c1ccs2 7a_100000077759_100000042424 [0,0,0,0,1,0|3,0,0]=4 2281 B15R2.19753 CC(O)COc1cccc2c1cc[nH]2 34a_100000763377_100011218427 [0,0,0,0,1,0|2,0,1]=4 2282 B15R2.19753 CC(O)COc1cccc2c1ccs2 34a_100000077759_100011218427 [0,0,0,0,1,0|2,0,1]=4 2283 B15R2.19753 CC(O)COc1cccc2c1ccs2 7a_100000077759_100011218427 [0,0,0,0,1,0|2,0,1]=4 2284 B15R2.19753 C[C@@H](O)COc1cccc2c1cc[nH]2 34a_100000763377_100009817552 [0,0,0,0,1,0|2,0,1]=4 2285 B15R2.19753 C[C@@H](O)COc1cccc2c1ccs2 34a_100000077759_100009817552 [0,0,0,0,1,0|2,0,1]=4 2286 B15R2.19753 C[C@@H](O)COc1cccc2c1ccs2 7a_100000077759_100009817552 [0,0,0,0,1,0|2,0,1]=4 2287 B15R2.19753 NC(=O)CNc1cccc2c1ccs2 34a_100020628958_100000187820 [0,0,0,0,1,0|3,0,0]=4 2288 B15R2.19753 NC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000187820 [0,0,0,0,1,0|2,0,0]=3 2289 B15R2.19753 NC(=O)COc1cccc2c1ccs2 34a_100000077759_100000187820 [0,0,0,0,1,0|2,0,0]=3 2290 B15R2.19753 NC(=O)COc1cccc2c1ccs2 7a_100000077759_100000187820 [0,0,0,0,1,0|2,0,0]=3 2291 B15R2.19753 NC(=O)COc1cccc2c1ncs2 34a_100000101385_100000187820 [0,0,0,0,1,0|3,0,0]=4 2292 B15R2.19753 NC(=O)COc1cccc2c1ncs2 7a_100000101385_100000187820 [0,0,0,0,1,0|3,0,0]=4 2293 B15R2.19753 NC(=O)COc1cccn2c1ncc2 34a_100000068405_100000187820 [0,0,0,0,1,0|3,0,0]=4 2294 B15R2.19753 NC(=O)COc1cccn2c1ncc2 7a_100000068405_100000187820 [0,0,0,0,1,0|3,0,0]=4 2295 B15R2.19753 NC(=O)COc1ccnc2c1scc2 34a_100000759877_100000187820 [0,0,0,0,1,0|3,0,0]=4 2296 B15R2.19753 NC(=O)CSc1cccc2c1CC=C2 62a_100000747473_100009844718 [0,0,0,0,1,0|1,1,1]=4 2297 B15R2.19753 NC(=O)CSc1cccc2c1CC=C2 62a_100009844718_100000747473 [0,0,0,0,1,0|1,1,1]=4 2298 B15R2.19753 NC(=O)CSc1cccc2c1[nH]cc2 62a_100000747473_100009813418 [0,0,0,0,1,0|2,1,0]=4 2299 B15R2.19753 NC(=O)CSc1cccc2c1cc[nH]2 62a_100000747473_100000685724 [0,0,0,0,1,0|2,1,0]=4 2300 B15R2.19753 NC(=O)CSc1cccc2c1cco2 62a_100000747473_100000756496 [0,0,0,0,1,0|2,1,0]=4 2301 B15R2.19753 NC(=O)CSc1cccc2c1ccs2 62a_100000747473_100009816950 [0,0,0,0,1,0|2,1,0]=4 2302 B15R2.19753 NC(=O)CSc1cccc2c1occ2 62a_100000747473_100011935138 [0,0,0,0,1,0|2,1,0]=4 2303 B15R2.19753 NC(=O)CSc1cccc2c1scc2 62a_100000747473_100000766737 [0,0,0,0,1,0|2,1,0]=4 2304 B15R2.19753 O=C([O-])CNc1cccc2c1ccs2 34a_100020628958_100020667443 [0,0,0,0,1,0|2,0,1]=4 2305 B15R2.19753 O=C([O-])COc1cccc2c1cc[nH]2 34a_100000763377_100020667443 [0,0,0,0,1,0|1,0,1]=3 2306 B15R2.19753 O=C([O-])COc1cccc2c1ccs2 34a_100000077759_100020667443 [0,0,0,0,1,0|1,0,1]=3 2307 B15R2.19753 O=C([O-])COc1cccc2c1ncs2 34a_100000101385_100020667443 [0,0,0,0,1,0|2,0,1]=4 2308 B15R2.19753 O=C([O-])COc1cccn2c1ncc2 34a_100000068405_100020667443 [0,0,0,0,1,0|2,0,1]=4 2309 B15R2.19753 O=C([O-])COc1ccnc2c1scc2 34a_100000759877_100020667443 [0,0,0,0,1,0|2,0,1]=4 2310 B15R2.19753 O=C([O-])CSc1cccc2c1CC=C2 62a_100009844718_100020667443 [0,0,0,0,1,0|0,1,2]=4 2311 B15R2.19753 O=C([O-])CSc1cccc2c1CC=C2 62a_100020667443_100009844718 [0,0,0,0,1,0|0,1,2]=4 2312 B15R2.19753 O=C([O-])CSc1cccc2c1[nH]cc2 62a_100020667443_100009813418 [0,0,0,0,1,0|1,1,1]=4 2313 B15R2.19753 O=C([O-])CSc1cccc2c1cc[nH]2 62a_100020667443_100000685724 [0,0,0,0,1,0|1,1,1]=4 2314 B15R2.19753 O=C([O-])CSc1cccc2c1cco2 62a_100020667443_100000756496 [0,0,0,0,1,0|1,1,1]=4 2315 B15R2.19753 O=C([O-])CSc1cccc2c1ccs2 62a_100020667443_100009816950 [0,0,0,0,1,0|1,1,1]=4 2316 B15R2.19753 O=C([O-])CSc1cccc2c1occ2 62a_100020667443_100011935138 [0,0,0,0,1,0|1,1,1]=4 2317 B15R2.19753 O=C([O-])CSc1cccc2c1scc2 62a_100020667443_100000766737 [0,0,0,0,1,0|1,1,1]=4 2318 B15R2.19753 O=[N+]([O-])COc1cccc2c1cc[nH]2 34a_100000763377_100000761209 [0,0,0,0,1,0|2,0,1]=4 2319 B15R2.19753 O=[N+]([O-])COc1cccc2c1ccs2 34a_100000077759_100000761209 [0,0,0,0,1,0|2,0,1]=4 2320 B15R2.68122 CC(=Cc1cccc2c1cccc2)C 271570a_100102525489_100000210605 [0,0,0,0,1,0|2,0,1]=4 2321 B15R2.68122 CC(=O)Cc1cccc2c1cccc2 1458a_100000070787_100000188474 [0,0,0,0,1,0|1,0,0]=2 2322 B15R2.68122 CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_200000210301 [0,0,0,0,1,0|1,0,0]=2 2323 B15R2.68122 CC(=O)Cc1cccc2c1ccnc2 1458a_100000070787_100016989825 [0,0,0,0,1,0|2,0,0]=3 2324 B15R2.68122 CC(=O)Cc1cccc2c1nccc2 1458a_100000070787_100000241032 [0,0,0,0,1,0|2,0,0]=3 2325 B15R2.68122 CC(=O)Cc1ccnc2c1cccc2 1458a_100000070787_100015192512 [0,0,0,0,1,0|2,0,0]=3 2326 B15R2.68122 CC(=O)Cc1nccc2c1cccc2 1458a_100000070787_100000033776 [0,0,0,0,1,0|2,0,0]=3 2327 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 11a_100000185869_100015343762 [0,0,0,0,1,0|2,0,0]=3 2328 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 1626a_100000185869_100015343762 [0,0,0,0,1,0|2,0,0]=3 2329 B15R2.68122 CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100000070787 [0,0,0,0,1,0|2,0,0]=3 2330 B15R2.68122 CC(=O)Nc1cccc2c1cccn2 11a_100000183906_100015343762 [0,0,0,0,1,0|3,0,0]=4 2331 B15R2.68122 CC(=O)Nc1cccc2c1cccn2 1626a_100000183906_100015343762 [0,0,0,0,1,0|3,0,0]=4 2332 B15R2.68122 CC(=O)Nc1cccc2c1cccn2 22a_100000183906_100000070787 [0,0,0,0,1,0|3,0,0]=4 2333 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 11a_100000210097_100015343762 [0,0,0,0,1,0|3,0,0]=4 2334 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 1626a_100000210097_100015343762 [0,0,0,0,1,0|3,0,0]=4 2335 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 22a_100000210097_100000070787 [0,0,0,0,1,0|3,0,0]=4 2336 B15R2.68122 CC(=O)Nc1cccc2c1ccnc2 527a_100000210097_100103153847 [0,0,0,0,1,0|3,0,0]=4 2337 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 11a_100000065885_100015343762 [0,0,0,0,1,0|3,0,0]=4 2338 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 1626a_100000065885_100015343762 [0,0,0,0,1,0|3,0,0]=4 2339 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 22a_100000065885_100000070787 [0,0,0,0,1,0|3,0,0]=4 2340 B15R2.68122 CC(=O)Nc1cccc2c1cncc2 527a_100000065885_100103153847 [0,0,0,0,1,0|3,0,0]=4 2341 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 11a_100000181377_100015343762 [0,0,0,0,1,0|3,0,0]=4 2342 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 1626a_100000181377_100015343762 [0,0,0,0,1,0|3,0,0]=4 2343 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 22a_100000181377_100000070787 [0,0,0,0,1,0|3,0,0]=4 2344 B15R2.68122 CC(=O)Nc1cccc2c1nccc2 527a_100000181377_100103153847 [0,0,0,0,1,0|3,0,0]=4 2345 B15R2.68122 CC(C)Oc1cccc2c1cccc2 34a_100000210388_100000210206 [0,0,0,0,1,0|2,0,1]=4 2346 B15R2.68122 CC(C)Oc1cccc2c1cccc2 7a_100000210388_100000210206 [0,0,0,0,1,0|2,0,1]=4 2347 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100000741213_200000210301 [0,0,0,0,1,0|3,0,0]=4 2348 B15R2.68122 CN(C)Cc1cccc2c1cccc2 2230a_100102631434_100011261445 [0,0,0,0,1,0|3,0,0]=4 2349 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100000741213_200000210301 [0,0,0,0,1,0|3,0,0]=4 2350 B15R2.68122 CN(C)Cc1cccc2c1cccc2 269982a_100102631434_100000188474 [0,0,0,0,1,0|3,0,0]=4 2351 B15R2.68122 CN(C)Cc1cccc2c1cccc2 270004a_100102631434_100000210074 [0,0,0,0,1,0|3,0,0]=4 2352 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 2230a_100000741213_200025704644 [0,0,0,0,1,0|3,0,0]=4 2353 B15R2.68122 CN([13CH3])Cc1cccc2c1cccc2 269982a_100000741213_200025704644 [0,0,0,0,1,0|3,0,0]=4 2354 B15R2.68122 [13CH3]C(=O)Cc1cccc2c1cccc2 1458a_100000186155_200025704644 [0,0,0,0,1,0|1,0,0]=2 2355 B17R2.291558 C=C(C)CCNc1cccc2c1cccc2 34a_100000185869_100000730704 [0,0,0,0,0,1|3,0,0]=4 2356 B17R2.291558 C=C(C)CCOc1cccc2c1cccc2 34a_100000210388_100000730704 [0,0,0,0,0,1|2,0,0]=3 2357 B17R2.291558 C=C(C)CCOc1cccc2c1cccc2 7a_100000210388_100000730704 [0,0,0,0,0,1|2,0,0]=3 2358 B17R2.291558 C=C(C)CCOc1cccc2c1cccn2 34a_100011197808_100000730704 [0,0,0,0,0,1|3,0,0]=4 2359 B17R2.291558 C=C(C)CCOc1cccc2c1ccnc2 34a_100011218533_100000730704 [0,0,0,0,0,1|3,0,0]=4 2360 B17R2.291558 C=C(C)CCOc1cccc2c1cncc2 34a_103624766955_100000730704 [0,0,0,0,0,1|3,0,0]=4 2361 B17R2.291558 C=C(C)CCOc1cccc2c1nccc2 34a_100000056035_100000730704 [0,0,0,0,0,1|3,0,0]=4 2362 B17R2.291558 C=C(C)CCOc1cncc2c1cccc2 34a_100000066178_100000730704 [0,0,0,0,0,1|3,0,0]=4 2363 B17R2.291558 C=C(C)CCOc1cncc2c1cccc2 7a_100000066178_100000730704 [0,0,0,0,0,1|3,0,0]=4 2364 B17R2.291558 C=C(C)CCOc1nccc2c1cccc2 34a_102531767632_100000730704 [0,0,0,0,0,1|3,0,0]=4 2365 B17R2.291558 C=C(C)CCSc1cccc2c1cccc2 62a_100000730704_100000210605 [0,0,0,0,0,1|2,1,0]=4 2366 B17R2.291558 C=C(C)CNCc1cccc2c1cccc2 34a_100000753325_100000748629 [0,0,0,0,0,1|3,0,0]=4 2367 B17R2.291558 C=C(C)COCc1cccc2c1cccc2 34a_100000210245_100011261445 [0,0,0,0,0,1|2,0,0]=3 2368 B17R2.291558 C=C(C)COCc1cccc2c1cccc2 34a_100011216843_100000748629 [0,0,0,0,0,1|2,0,0]=3 2369 B17R2.291558 C=C(C)COCc1cccc2c1cccc2 7a_100011216843_100000748629 [0,0,0,0,0,1|2,0,0]=3 2370 B17R2.291558 C=C(C)COCc1cccc2c1cccn2 34a_100000709871_100000748629 [0,0,0,0,0,1|3,0,0]=4 2371 B17R2.291558 C=C(C)COCc1cccc2c1ccnc2 34a_100000210245_100016989825 [0,0,0,0,0,1|3,0,0]=4 2372 B17R2.291558 C=C(C)COCc1cccc2c1nccc2 34a_100000210245_100000241032 [0,0,0,0,0,1|3,0,0]=4 2373 B17R2.291558 C=C(C)COCc1cccc2c1nccc2 34a_100011303629_100000748629 [0,0,0,0,0,1|3,0,0]=4 2374 B17R2.291558 C=C(C)COCc1ccnc2c1cccc2 34a_100000210245_100015192512 [0,0,0,0,0,1|3,0,0]=4 2375 B17R2.291558 C=C(C)COCc1nccc2c1cccc2 34a_100000210245_100000033776 [0,0,0,0,0,1|3,0,0]=4 2376 B17R2.291558 C=C(C)CSCc1cccc2c1cccc2 62a_100000748629_100000188474 [0,0,0,0,0,1|2,1,0]=4 2377 B17R2.291558 C=C(C)CSCc1cccc2c1cccc2 62a_100011261445_100000211660 [0,0,0,0,0,1|2,1,0]=4 2378 B17R2.291558 C=C(F)CNCc1cccc2c1cccc2 34a_100000753325_100009893438 [0,0,0,0,0,1|3,0,0]=4 2379 B17R2.291558 C=C(F)COCc1cccc2c1cccc2 34a_100011216843_100009893438 [0,0,0,0,0,1|2,0,0]=3 2380 B17R2.291558 C=C(F)COCc1cccc2c1cccc2 34a_200010262243_100011261445 [0,0,0,0,0,1|2,0,0]=3 2381 B17R2.291558 C=C(F)COCc1cccc2c1cccc2 7a_100011216843_100000042424 [0,0,0,0,0,1|2,0,0]=3 2382 B17R2.291558 C=C(F)COCc1cccc2c1cccn2 34a_100000709871_100009893438 [0,0,0,0,0,1|3,0,0]=4 2383 B17R2.291558 C=C(F)COCc1cccc2c1ccnc2 34a_200010262243_100016989825 [0,0,0,0,0,1|3,0,0]=4 2384 B17R2.291558 C=C(F)COCc1cccc2c1nccc2 34a_100011303629_100009893438 [0,0,0,0,0,1|3,0,0]=4 2385 B17R2.291558 C=C(F)COCc1cccc2c1nccc2 34a_200010262243_100000241032 [0,0,0,0,0,1|3,0,0]=4 2386 B17R2.291558 C=C(F)COCc1ccnc2c1cccc2 34a_200010262243_100015192512 [0,0,0,0,0,1|3,0,0]=4 2387 B17R2.291558 C=C(F)COCc1nccc2c1cccc2 34a_200010262243_100000033776 [0,0,0,0,0,1|3,0,0]=4 2388 B17R2.291558 C=C(F)CSCc1cccc2c1cccc2 62a_100000042424_100000188474 [0,0,0,0,0,1|2,1,0]=4 2389 B17R2.291558 C=C(F)CSCc1cccc2c1cccc2 62a_100011261445_100000042424 [0,0,0,0,0,1|2,1,0]=4 2390 B17R2.291558 CC(=CCNc1cccc2c1cccc2)C 34a_100000185869_100000761012 [0,0,0,0,0,1|3,0,0]=4 2391 B17R2.291558 CC(=CCOc1cccc2c1cccc2)C 34a_100000210388_100000761012 [0,0,0,0,0,1|2,0,0]=3 2392 B17R2.291558 CC(=CCOc1cccc2c1cccc2)C 7a_100000210388_100000761012 [0,0,0,0,0,1|2,0,0]=3 2393 B17R2.291558 CC(=CCOc1cccc2c1cccn2)C 34a_100011197808_100000761012 [0,0,0,0,0,1|3,0,0]=4 2394 B17R2.291558 CC(=CCOc1cccc2c1ccnc2)C 34a_100011218533_100000761012 [0,0,0,0,0,1|3,0,0]=4 2395 B17R2.291558 CC(=CCOc1cccc2c1cncc2)C 34a_103624766955_100000761012 [0,0,0,0,0,1|3,0,0]=4 2396 B17R2.291558 CC(=CCOc1cccc2c1nccc2)C 34a_100000056035_100000761012 [0,0,0,0,0,1|3,0,0]=4 2397 B17R2.291558 CC(=CCOc1cncc2c1cccc2)C 34a_100000066178_100000761012 [0,0,0,0,0,1|3,0,0]=4 2398 B17R2.291558 CC(=CCOc1cncc2c1cccc2)C 7a_100000066178_100000761012 [0,0,0,0,0,1|3,0,0]=4 2399 B17R2.291558 CC(=CCOc1nccc2c1cccc2)C 34a_102531767632_100000761012 [0,0,0,0,0,1|3,0,0]=4 2400 B17R2.291558 CC(=CCSc1cccc2c1cccc2)C 62a_100000761012_100000210605 [0,0,0,0,0,1|2,1,0]=4 2401 B17R2.291558 CC(=O)CCOc1cccc2c1CC=CC2 7a_100000074931_100000053229 [0,0,0,0,0,1|1,0,2]=4 2402 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000070787_100000745918 [0,0,0,0,0,1|1,0,0]=2 2403 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200000210301 [0,0,0,0,0,1|1,0,0]=2 2404 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000053229 [0,0,0,0,0,1|1,0,0]=2 2405 B17R2.291558 CC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000053229 [0,0,0,0,0,1|2,0,0]=3 2406 B17R2.291558 CC(=O)CCSc1cccc2c1cccc2 62a_100000053229_100000210605 [0,0,0,0,0,1|1,1,0]=3 2407 B17R2.291558 CC(=O)CCSc1cccc2c1cccn2 62a_100000053229_100011290932 [0,0,0,0,0,1|2,1,0]=4 2408 B17R2.291558 CC(=O)CCSc1cccc2c1cccn2 62a_100011290932_100000053229 [0,0,0,0,0,1|2,1,0]=4 2409 B17R2.291558 CC(=O)CCSc1cccc2c1ccnc2 62a_100000053229_100000186358 [0,0,0,0,0,1|2,1,0]=4 2410 B17R2.291558 CC(=O)CCSc1cccc2c1ccnc2 62a_100000186358_100000053229 [0,0,0,0,0,1|2,1,0]=4 2411 B17R2.291558 CC(=O)CCSc1cccc2c1cncc2 62a_100000053229_100000685578 [0,0,0,0,0,1|2,1,0]=4 2412 B17R2.291558 CC(=O)CCSc1cccc2c1cncc2 62a_100000685578_100000053229 [0,0,0,0,0,1|2,1,0]=4 2413 B17R2.291558 CC(=O)CCSc1cccc2c1nccc2 62a_100000053229_100011215545 [0,0,0,0,0,1|2,1,0]=4 2414 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100000053229_100011215880 [0,0,0,0,0,1|2,1,0]=4 2415 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000053229 [0,0,0,0,0,1|2,1,0]=4 2416 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000053229_100000187577 [0,0,0,0,0,1|2,1,0]=4 2417 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000053229 [0,0,0,0,0,1|2,1,0]=4 2418 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100000053229_100011934041 [0,0,0,0,0,1|2,1,0]=4 2419 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000053229 [0,0,0,0,0,1|2,1,0]=4 2420 B17R2.291558 CC(=O)COCc1cccc2c1cccc2 34a_100000211253_100011261445 [0,0,0,0,0,1|1,0,0]=2 2421 B17R2.291558 CC(=O)COCc1cccc2c1ccnc2 34a_100000211253_100016989825 [0,0,0,0,0,1|2,0,0]=3 2422 B17R2.291558 CC(=O)COCc1cccc2c1nccc2 34a_100000211253_100000241032 [0,0,0,0,0,1|2,0,0]=3 2423 B17R2.291558 CC(=O)COCc1ccnc2c1cccc2 34a_100000211253_100015192512 [0,0,0,0,0,1|2,0,0]=3 2424 B17R2.291558 CC(=O)COCc1nccc2c1cccc2 34a_100000211253_100000033776 [0,0,0,0,0,1|2,0,0]=3 2425 B17R2.291558 CC(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200000210301 [0,0,0,0,0,1|1,1,0]=3 2426 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 11a_100000751862_100015343762 [0,0,0,0,0,1|2,0,0]=3 2427 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 1626a_100000751862_100015343762 [0,0,0,0,0,1|2,0,0]=3 2428 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 240690a_100000751862_100015343762 [0,0,0,0,0,1|2,0,0]=3 2429 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 527a_100000751862_100103153847 [0,0,0,0,0,1|2,0,0]=3 2430 B17R2.291558 CC(=O)NN=Cc1cccc2c1cccc2 4a_100000189765_100000210074 [0,0,0,0,0,1|3,0,0]=4 2431 B17R2.291558 CC(=O)NNCc1cccc2c1cccc2 22a_100025742020_100000070787 [0,0,0,0,0,1|3,0,0]=4 2432 B17R2.291558 CC(=O)OCNc1cccc2c1cccc2 34a_100000185869_100009813279 [0,0,0,0,0,1|2,0,0]=3 2433 B17R2.291558 CC(=O)OCNc1cccc2c1cccn2 34a_100000183906_100009813279 [0,0,0,0,0,1|3,0,0]=4 2434 B17R2.291558 CC(=O)OCNc1cccc2c1nccc2 34a_100000181377_100009813279 [0,0,0,0,0,1|3,0,0]=4 2435 B17R2.291558 CC(=O)OCOc1cccc2c1CC=CC2 34a_100000074931_100009813279 [0,0,0,0,0,1|1,0,2]=4 2436 B17R2.291558 CC(=O)OCOc1cccc2c1cccc2 34a_100000210388_100009813279 [0,0,0,0,0,1|1,0,0]=2 2437 B17R2.291558 CC(=O)OCOc1cccc2c1cccn2 34a_100011197808_100009813279 [0,0,0,0,0,1|2,0,0]=3 2438 B17R2.291558 CC(=O)OCOc1cccc2c1ccnc2 34a_100011218533_100009813279 [0,0,0,0,0,1|2,0,0]=3 2439 B17R2.291558 CC(=O)OCOc1cccc2c1cncc2 34a_103624766955_100009813279 [0,0,0,0,0,1|2,0,0]=3 2440 B17R2.291558 CC(=O)OCOc1cccc2c1nccc2 34a_100000056035_100009813279 [0,0,0,0,0,1|2,0,0]=3 2441 B17R2.291558 CC(=O)OCOc1cccc2c1nccn2 34a_100000077048_100009813279 [0,0,0,0,0,1|3,0,0]=4 2442 B17R2.291558 CC(=O)OCOc1cccc2c1ncnc2 34a_200000077003_100009813279 [0,0,0,0,0,1|3,0,0]=4 2443 B17R2.291558 CC(=O)OCOc1cncc2c1cccc2 34a_100000066178_100009813279 [0,0,0,0,0,1|2,0,0]=3 2444 B17R2.291558 CC(=O)OCOc1nccc2c1cccc2 34a_102531767632_100009813279 [0,0,0,0,0,1|2,0,0]=3 2445 B17R2.291558 CC(=O)OCSc1cccc2c1cccc2 62a_100000076356_100000210605 [0,0,0,0,0,1|1,1,0]=3 2446 B17R2.291558 CC(=O)OCSc1cccc2c1cccn2 62a_100000076356_100011290932 [0,0,0,0,0,1|2,1,0]=4 2447 B17R2.291558 CC(=O)OCSc1cccc2c1cccn2 62a_100011290932_100000076356 [0,0,0,0,0,1|2,1,0]=4 2448 B17R2.291558 CC(=O)OCSc1cccc2c1ccnc2 62a_100000076356_100000186358 [0,0,0,0,0,1|2,1,0]=4 2449 B17R2.291558 CC(=O)OCSc1cccc2c1ccnc2 62a_100000186358_100000076356 [0,0,0,0,0,1|2,1,0]=4 2450 B17R2.291558 CC(=O)OCSc1cccc2c1cncc2 62a_100000076356_100000685578 [0,0,0,0,0,1|2,1,0]=4 2451 B17R2.291558 CC(=O)OCSc1cccc2c1cncc2 62a_100000685578_100000076356 [0,0,0,0,0,1|2,1,0]=4 2452 B17R2.291558 CC(=O)OCSc1cccc2c1nccc2 62a_100000076356_100011215545 [0,0,0,0,0,1|2,1,0]=4 2453 B17R2.291558 CC(=O)OCSc1ccnc2c1cccc2 62a_100000076356_100011215880 [0,0,0,0,0,1|2,1,0]=4 2454 B17R2.291558 CC(=O)OCSc1ccnc2c1cccc2 62a_100011458314_100000076356 [0,0,0,0,0,1|2,1,0]=4 2455 B17R2.291558 CC(=O)OCSc1cncc2c1cccc2 62a_100000076356_100000187577 [0,0,0,0,0,1|2,1,0]=4 2456 B17R2.291558 CC(=O)OCSc1cncc2c1cccc2 62a_100000187577_100000076356 [0,0,0,0,0,1|2,1,0]=4 2457 B17R2.291558 CC(=O)OCSc1nccc2c1cccc2 62a_100000076356_100011934041 [0,0,0,0,0,1|2,1,0]=4 2458 B17R2.291558 CC(=O)OCSc1nccc2c1cccc2 62a_100011934041_100000076356 [0,0,0,0,0,1|2,1,0]=4 2459 B17R2.291558 CC(Br)COCc1cccc2c1cccc2 34a_100012180447_100011261445 [0,0,0,0,0,1|2,0,1]=4 2460 B17R2.291558 CC(C)CCOc1cccc2c1cccc2 34a_100000210388_100000210312 [0,0,0,0,0,1|2,0,1]=4 2461 B17R2.291558 CC(C)CCOc1cccc2c1cccc2 7a_100000210388_100000210626 [0,0,0,0,0,1|2,0,1]=4 2462 B17R2.291558 CC(C)COCc1cccc2c1cccc2 34a_100000210257_100011261445 [0,0,0,0,0,1|2,0,1]=4 2463 B17R2.291558 CC(C)COCc1cccc2c1cccc2 34a_100011216843_100000210624 [0,0,0,0,0,1|2,0,1]=4 2464 B17R2.291558 CC(C)COCc1cccc2c1cccc2 7a_100011216843_100000210760 [0,0,0,0,0,1|2,0,1]=4 2465 B17R2.291558 CC(C)OCOc1cccc2c1cccc2 34a_100000210388_100000709892 [0,0,0,0,0,1|2,0,1]=4 2466 B17R2.291558 CC(F)COCc1cccc2c1cccc2 34a_100015925927_100011261445 [0,0,0,0,0,1|2,0,1]=4 2467 B17R2.291558 CC(O)CCNc1cccc2c1cccc2 34a_100000185869_100012276601 [0,0,0,0,0,1|2,0,1]=4 2468 B17R2.291558 CC(O)CCOc1cccc2c1cccc2 34a_100000210388_100012276601 [0,0,0,0,0,1|1,0,1]=3 2469 B17R2.291558 CC(O)CCOc1cccc2c1cccc2 7a_100000210388_100012276601 [0,0,0,0,0,1|1,0,1]=3 2470 B17R2.291558 CC(O)CCOc1cccc2c1cccn2 34a_100011197808_100012276601 [0,0,0,0,0,1|2,0,1]=4 2471 B17R2.291558 CC(O)CCOc1cccc2c1ccnc2 34a_100011218533_100012276601 [0,0,0,0,0,1|2,0,1]=4 2472 B17R2.291558 CC(O)CCOc1cccc2c1cncc2 34a_103624766955_100012276601 [0,0,0,0,0,1|2,0,1]=4 2473 B17R2.291558 CC(O)CCOc1cccc2c1nccc2 34a_100000056035_100012276601 [0,0,0,0,0,1|2,0,1]=4 2474 B17R2.291558 CC(O)CCOc1cncc2c1cccc2 34a_100000066178_100012276601 [0,0,0,0,0,1|2,0,1]=4 2475 B17R2.291558 CC(O)CCOc1cncc2c1cccc2 7a_100000066178_100012276601 [0,0,0,0,0,1|2,0,1]=4 2476 B17R2.291558 CC(O)CCOc1nccc2c1cccc2 34a_102531767632_100012276601 [0,0,0,0,0,1|2,0,1]=4 2477 B17R2.291558 CC(O)CCSc1cccc2c1cccc2 62a_100012276601_100000210605 [0,0,0,0,0,1|1,1,1]=4 2478 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 207a_100000210904_100000210074 [0,0,0,0,0,1|2,0,1]=4 2479 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 2230a_100000210904_100011261445 [0,0,0,0,0,1|2,0,1]=4 2480 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 270004a_100000210904_100000210074 [0,0,0,0,0,1|2,0,1]=4 2481 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 34a_100000210904_100011261445 [0,0,0,0,0,1|2,0,1]=4 2482 B17R2.291558 CC(O)CNCc1cccc2c1cccc2 34a_100000753325_100011218427 [0,0,0,0,0,1|2,0,1]=4 2483 B17R2.291558 CC(O)COCc1cccc2c1cccc2 34a_100011216843_100011218427 [0,0,0,0,0,1|1,0,1]=3 2484 B17R2.291558 CC(O)COCc1cccc2c1cccc2 7a_100011216843_100011218427 [0,0,0,0,0,1|1,0,1]=3 2485 B17R2.291558 CC(O)COCc1cccc2c1cccn2 34a_100000709871_100011218427 [0,0,0,0,0,1|2,0,1]=4 2486 B17R2.291558 CC(O)COCc1cccc2c1nccc2 34a_100011303629_100011218427 [0,0,0,0,0,1|2,0,1]=4 2487 B17R2.291558 CC(O)CSCc1cccc2c1cccc2 62a_100011218427_100000188474 [0,0,0,0,0,1|1,1,1]=4 2488 B17R2.291558 CC(O)CSCc1cccc2c1cccc2 62a_100011261445_100011218427 [0,0,0,0,0,1|1,1,1]=4 2489 B17R2.291558 CN(C)CCOc1cccc2c1cccc2 2230a_100102631434_100000745918 [0,0,0,0,0,1|3,0,0]=4 2490 B17R2.291558 CN(C)CCOc1cccc2c1cccc2 269982a_100102631434_100000745918 [0,0,0,0,0,1|3,0,0]=4 2491 B17R2.291558 CN(C)CCOc1cccc2c1cccc2 7a_100000210388_100000755713 [0,0,0,0,0,1|3,0,0]=4 2492 B17R2.291558 C[C@@H](Cl)COCc1cccc2c1cccc2 34a_100016084084_100011261445 [0,0,0,0,0,1|2,0,1]=4 2493 B17R2.291558 C[C@@H](N)COCc1cccc2c1cccc2 34a_100000737577_100011261445 [0,0,0,0,0,1|2,0,1]=4 2494 B17R2.291558 C[C@@H](O)CNCc1cccc2c1cccc2 34a_100000753325_100009817552 [0,0,0,0,0,1|2,0,1]=4 2495 B17R2.291558 C[C@@H](O)COCc1cccc2c1cccc2 34a_100011216843_100009817552 [0,0,0,0,0,1|1,0,1]=3 2496 B17R2.291558 C[C@@H](O)COCc1cccc2c1cccc2 7a_100011216843_100009817552 [0,0,0,0,0,1|1,0,1]=3 2497 B17R2.291558 C[C@@H](O)COCc1cccc2c1cccn2 34a_100000709871_100009817552 [0,0,0,0,0,1|2,0,1]=4 2498 B17R2.291558 C[C@@H](O)COCc1cccc2c1nccc2 34a_100011303629_100009817552 [0,0,0,0,0,1|2,0,1]=4 2499 B17R2.291558 C[C@@H](O)CSCc1cccc2c1cccc2 62a_100009817552_100000188474 [0,0,0,0,0,1|1,1,1]=4 2500 B17R2.291558 C[C@@H](O)CSCc1cccc2c1cccc2 62a_100011261445_100009817552 [0,0,0,0,0,1|1,1,1]=4 2501 B17R2.291558 FC(F)COCc1cccc2c1cccc2 34a_100000743014_100011261445 [0,0,0,0,0,1|2,0,1]=4 2502 B17R2.291558 FC(F)COCc1cccc2c1cccc2 34a_100011216843_100011934356 [0,0,0,0,0,1|2,0,1]=4 2503 B17R2.291558 FC(F)COCc1cccc2c1cccc2 7a_100011216843_100011934356 [0,0,0,0,0,1|2,0,1]=4 2504 B17R2.291558 NC(=O)CCNc1cccc2c1cccc2 34a_100000185869_100000731001 [0,0,0,0,0,1|2,0,0]=3 2505 B17R2.291558 NC(=O)CCNc1cccc2c1cccn2 27a_100000740010_100011290932 [0,0,0,0,0,1|3,0,0]=4 2506 B17R2.291558 NC(=O)CCNc1cccc2c1cccn2 34a_100000183906_100000731001 [0,0,0,0,0,1|3,0,0]=4 2507 B17R2.291558 NC(=O)CCNc1cccc2c1nccc2 34a_100000181377_100000731001 [0,0,0,0,0,1|3,0,0]=4 2508 B17R2.291558 NC(=O)CCNc1ccnc2c1cccc2 27a_100000740010_100011215880 [0,0,0,0,0,1|3,0,0]=4 2509 B17R2.291558 NC(=O)CCNc1nccc2c1cccc2 27a_100000740010_100011934041 [0,0,0,0,0,1|3,0,0]=4 2510 B17R2.291558 NC(=O)CCOc1cccc2c1CC=CC2 34a_100000074931_100000731001 [0,0,0,0,0,1|1,0,2]=4 2511 B17R2.291558 NC(=O)CCOc1cccc2c1CC=CC2 7a_100000074931_100000744528 [0,0,0,0,0,1|1,0,2]=4 2512 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 34a_100000210388_100000731001 [0,0,0,0,0,1|1,0,0]=2 2513 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000744528 [0,0,0,0,0,1|1,0,0]=2 2514 B17R2.291558 NC(=O)CCOc1cccc2c1cccn2 34a_100011197808_100000731001 [0,0,0,0,0,1|2,0,0]=3 2515 B17R2.291558 NC(=O)CCOc1cccc2c1ccnc2 34a_100011218533_100000731001 [0,0,0,0,0,1|2,0,0]=3 2516 B17R2.291558 NC(=O)CCOc1cccc2c1cncc2 34a_103624766955_100000731001 [0,0,0,0,0,1|2,0,0]=3 2517 B17R2.291558 NC(=O)CCOc1cccc2c1nccc2 34a_100000056035_100000731001 [0,0,0,0,0,1|2,0,0]=3 2518 B17R2.291558 NC(=O)CCOc1cccc2c1nccn2 34a_100000077048_100000731001 [0,0,0,0,0,1|3,0,0]=4 2519 B17R2.291558 NC(=O)CCOc1cccc2c1ncnc2 34a_200000077003_100000731001 [0,0,0,0,0,1|3,0,0]=4 2520 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 34a_100000066178_100000731001 [0,0,0,0,0,1|2,0,0]=3 2521 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000744528 [0,0,0,0,0,1|2,0,0]=3 2522 B17R2.291558 NC(=O)CCOc1nccc2c1cccc2 34a_102531767632_100000731001 [0,0,0,0,0,1|2,0,0]=3 2523 B17R2.291558 NC(=O)CCSc1cccc2c1cccc2 62a_100000744528_100000210605 [0,0,0,0,0,1|1,1,0]=3 2524 B17R2.291558 NC(=O)CCSc1cccc2c1cccn2 62a_100000744528_100011290932 [0,0,0,0,0,1|2,1,0]=4 2525 B17R2.291558 NC(=O)CCSc1cccc2c1cccn2 62a_100011290932_100000744528 [0,0,0,0,0,1|2,1,0]=4 2526 B17R2.291558 NC(=O)CCSc1cccc2c1ccnc2 62a_100000186358_100000744528 [0,0,0,0,0,1|2,1,0]=4 2527 B17R2.291558 NC(=O)CCSc1cccc2c1ccnc2 62a_100000744528_100000186358 [0,0,0,0,0,1|2,1,0]=4 2528 B17R2.291558 NC(=O)CCSc1cccc2c1cncc2 62a_100000685578_100000744528 [0,0,0,0,0,1|2,1,0]=4 2529 B17R2.291558 NC(=O)CCSc1cccc2c1cncc2 62a_100000744528_100000685578 [0,0,0,0,0,1|2,1,0]=4 2530 B17R2.291558 NC(=O)CCSc1cccc2c1nccc2 62a_100000744528_100011215545 [0,0,0,0,0,1|2,1,0]=4 2531 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100000744528_100011215880 [0,0,0,0,0,1|2,1,0]=4 2532 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000744528 [0,0,0,0,0,1|2,1,0]=4 2533 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000744528 [0,0,0,0,0,1|2,1,0]=4 2534 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000744528_100000187577 [0,0,0,0,0,1|2,1,0]=4 2535 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100000744528_100011934041 [0,0,0,0,0,1|2,1,0]=4 2536 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000744528 [0,0,0,0,0,1|2,1,0]=4 2537 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 2230a_100000711301_100011261445 [0,0,0,0,0,1|2,0,0]=3 2538 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 34a_100000753325_100000187820 [0,0,0,0,0,1|2,0,0]=3 2539 B17R2.291558 NC(=O)CNCc1cccc2c1ccnc2 2230a_100000711301_100016989825 [0,0,0,0,0,1|3,0,0]=4 2540 B17R2.291558 NC(=O)CNCc1cccc2c1nccc2 2230a_100000711301_100000241032 [0,0,0,0,0,1|3,0,0]=4 2541 B17R2.291558 NC(=O)CNCc1ccnc2c1cccc2 2230a_100000711301_100015192512 [0,0,0,0,0,1|3,0,0]=4 2542 B17R2.291558 NC(=O)CNCc1nccc2c1cccc2 2230a_100000711301_100000033776 [0,0,0,0,0,1|3,0,0]=4 2543 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 34a_100011216843_100000187820 [0,0,0,0,0,1|1,0,0]=2 2544 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000187820 [0,0,0,0,0,1|1,0,0]=2 2545 B17R2.291558 NC(=O)COCc1cccc2c1cccn2 34a_100000709871_100000187820 [0,0,0,0,0,1|2,0,0]=3 2546 B17R2.291558 NC(=O)COCc1cccc2c1nccc2 34a_100011303629_100000187820 [0,0,0,0,0,1|2,0,0]=3 2547 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100000747473_100000188474 [0,0,0,0,0,1|1,1,0]=3 2548 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000747473 [0,0,0,0,0,1|1,1,0]=3 2549 B17R2.291558 NC(=O)CSCc1cccc2c1ccnc2 62a_100000747473_100016989825 [0,0,0,0,0,1|2,1,0]=4 2550 B17R2.291558 NC(=O)CSCc1cccc2c1ccnc2 62a_100016989825_100000747473 [0,0,0,0,0,1|2,1,0]=4 2551 B17R2.291558 NC(=O)CSCc1cccc2c1nccc2 62a_100000747473_100000241032 [0,0,0,0,0,1|2,1,0]=4 2552 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100000747473_100015192512 [0,0,0,0,0,1|2,1,0]=4 2553 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100015192512_100000747473 [0,0,0,0,0,1|2,1,0]=4 2554 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000033776_100000747473 [0,0,0,0,0,1|2,1,0]=4 2555 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000747473_100000033776 [0,0,0,0,0,1|2,1,0]=4 2556 B17R2.291558 O=C(O)CNCc1cccc2c1cccc2 269956a_100016091260_100000188474 [0,0,0,0,0,1|1,0,0]=2 2557 B17R2.291558 O=C(O)CNCc1cccc2c1ccnc2 269956a_100016091260_100016989825 [0,0,0,0,0,1|2,0,0]=3 2558 B17R2.291558 O=C(O)CNCc1cccc2c1nccc2 269956a_100016091260_100000241032 [0,0,0,0,0,1|2,0,0]=3 2559 B17R2.291558 O=C(O)CNCc1ccnc2c1cccc2 269956a_100016091260_100015192512 [0,0,0,0,0,1|2,0,0]=3 2560 B17R2.291558 O=C(O)CNCc1nccc2c1cccc2 269956a_100016091260_100000033776 [0,0,0,0,0,1|2,0,0]=3 2561 B17R2.291558 O=C([O-])CNCc1cccc2c1cccc2 34a_100000753325_100020667443 [0,0,0,0,0,1|1,0,1]=3 2562 B17R2.291558 O=C([O-])COCc1cccc2c1cccc2 34a_100011216843_100020667443 [0,0,0,0,0,1|0,0,1]=2 2563 B17R2.291558 O=C([O-])COCc1cccc2c1cccn2 34a_100000709871_100020667443 [0,0,0,0,0,1|1,0,1]=3 2564 B17R2.291558 O=C([O-])COCc1cccc2c1nccc2 34a_100011303629_100020667443 [0,0,0,0,0,1|1,0,1]=3 2565 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100011261445_100020667443 [0,0,0,0,0,1|0,1,1]=3 2566 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100020667443_100000188474 [0,0,0,0,0,1|0,1,1]=3 2567 B17R2.291558 O=C([O-])CSCc1cccc2c1ccnc2 62a_100016989825_100020667443 [0,0,0,0,0,1|1,1,1]=4 2568 B17R2.291558 O=C([O-])CSCc1cccc2c1ccnc2 62a_100020667443_100016989825 [0,0,0,0,0,1|1,1,1]=4 2569 B17R2.291558 O=C([O-])CSCc1cccc2c1nccc2 62a_100020667443_100000241032 [0,0,0,0,0,1|1,1,1]=4 2570 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100015192512_100020667443 [0,0,0,0,0,1|1,1,1]=4 2571 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100020667443_100015192512 [0,0,0,0,0,1|1,1,1]=4 2572 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100000033776_100020667443 [0,0,0,0,0,1|1,1,1]=4 2573 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100020667443_100000033776 [0,0,0,0,0,1|1,1,1]=4 2574 B17R2.291558 O=[N+]([O-])CNCc1cccc2c1cccc2 34a_100000753325_100000761209 [0,0,0,0,0,1|2,0,1]=4 2575 B17R2.291558 O=[N+]([O-])COCc1cccc2c1cccc2 34a_100011216843_100000761209 [0,0,0,0,0,1|1,0,1]=3 2576 B17R2.291558 O=[N+]([O-])COCc1cccc2c1cccn2 34a_100000709871_100000761209 [0,0,0,0,0,1|2,0,1]=4 2577 B17R2.291558 O=[N+]([O-])COCc1cccc2c1nccc2 34a_100011303629_100000761209 [0,0,0,0,0,1|2,0,1]=4 2578 B17R2.291558 O=[N+]([O-])CSCc1cccc2c1cccc2 62a_100011261445_100000761209 [0,0,0,0,0,1|1,1,1]=4 2579 B17R2.291558 [13CH3]C(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200025704644 [0,0,0,0,0,1|1,0,0]=2 2580 B17R2.291558 [13CH3]C(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200025704644 [0,0,0,0,0,1|1,1,0]=3 2581 B14R1.96 C=Cc1ccccc1COCC(=O)N 34a_200010883148_100000187820 [1,0,1,0,0,0|1,0,1]=4 2582 B14R1.96 C=Cc1ccccc1COCC(=O)N 7a_200010883148_100000187820 [1,0,1,0,0,0|1,0,1]=4 2583 B14R1.96 C=Cc1ccccc1COCC(=O)[O-] 34a_200010883148_100020667443 [1,0,1,0,0,0|0,0,2]=4 2584 B14R1.468 C=C=Cc1cccc(c1)OCC(=O)N 271570a_100015277604_200000150604 [1,0,1,0,0,0|1,0,1]=4 2585 B14R1.468 CC=Cc1cccc(c1)OCC(=O)N 271570a_100016259895_200000150604 [1,0,1,0,0,0|1,0,1]=4 2586 B14R1.482 C/C=C/c1ccccc1OCC(=O)N 34a_200000189419_100000187820 [1,0,1,0,0,0|1,0,1]=4 2587 B14R1.482 C/C=C/c1ccccc1OCC(=O)N 7a_200000189419_100000187820 [1,0,1,0,0,0|1,0,1]=4 2588 B14R1.482 C/C=C/c1ccccc1OCC(=O)[O-] 34a_200000189419_100020667443 [1,0,1,0,0,0|0,0,2]=4 2589 B14R1.482 C=C=Cc1ccccc1OCC(=O)N 271570a_100015277604_200000148491 [1,0,1,0,0,0|1,0,1]=4 2590 B14R1.482 C=CCc1ccccc1OCC(=O)N 34a_100000211836_100000187820 [1,0,1,0,0,0|1,0,1]=4 2591 B14R1.482 C=CCc1ccccc1OCC(=O)N 7a_100000211836_100000187820 [1,0,1,0,0,0|1,0,1]=4 2592 B14R1.482 C=CCc1ccccc1OCC(=O)[O-] 34a_100000211836_100020667443 [1,0,1,0,0,0|0,0,2]=4 2593 B14R1.482 CC=Cc1ccccc1OCC(=O)N 271570a_100016259895_200000148491 [1,0,1,0,0,0|1,0,1]=4 2594 B14R1.787 C=CCOc1ccccc1OCC=O 34a_200011262142_200009817547 [1,0,1,0,0,0|1,0,1]=4 2595 B14R1.787 C=CCOc1ccccc1OCC=O 7a_200011262142_200015260668 [1,0,1,0,0,0|1,0,1]=4 2596 B14R1.787 O=C/C=C/c1ccccc1SCC=O 62a_200015260668_200016268969 [1,0,1,0,0,0|1,1,0]=4 2597 B14R1.787 O=C/C=C/c1ccccc1SCC=O 62a_200016268969_200015260668 [1,0,1,0,0,0|1,1,0]=4 2598 B14R1.171 C=CCC(OCC=O)c1ccccc1 34a_100000687291_200009817547 [1,0,1,0,0,0|0,0,2]=4 2599 B14R1.171 C=CCC(OCC=O)c1ccccc1 7a_100000687291_200015260668 [1,0,1,0,0,0|0,0,2]=4 2600 B14R1.540 C=CC(NCC(=O)O)c1ccccc1 269956a_100016091260_200000085779 [1,0,1,0,0,0|1,0,1]=4 2601 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 34a_100011215659_100000187820 [1,0,1,0,0,0|1,0,1]=4 2602 B14R1.540 C=CC(OCC(=O)N)c1ccccc1 7a_100011215659_100000187820 [1,0,1,0,0,0|1,0,1]=4 2603 B14R1.540 C=CC(OCC(=O)[O-])c1ccccc1 34a_100011215659_100020667443 [1,0,1,0,0,0|0,0,2]=4 2604 B14R2.7150 C=C=Cc1cccc2c1cccc2 271570a_100015277604_100000210605 [2,0,0,0,0,0|1,0,1]=4 2605 B14R2.7150 CC=Cc1cccc2c1cccc2 271570a_100016259895_100000210605 [2,0,0,0,0,0|1,0,1]=4 2606 B14R2.7150 CCNc1cccc2c1cccc2 34a_100000185869_100000210202 [2,0,0,0,0,0|1,0,1]=4 2607 B14R2.7150 CCOc1cccc2c1cccc2 34a_100000210388_100000210202 [2,0,0,0,0,0|0,0,1]=3 2608 B14R2.7150 CCOc1cccc2c1cccc2 7a_100000210388_100000210202 [2,0,0,0,0,0|0,0,1]=3 2609 B14R2.7150 CCOc1cccc2c1cccn2 34a_100011197808_100000210202 [2,0,0,0,0,0|1,0,1]=4 2610 B14R2.7150 CCOc1cccc2c1ccnc2 34a_100011218533_100000210202 [2,0,0,0,0,0|1,0,1]=4 2611 B14R2.7150 CCOc1cccc2c1cncc2 34a_103624766955_100000210202 [2,0,0,0,0,0|1,0,1]=4 2612 B14R2.7150 CCOc1cccc2c1nccc2 34a_100000056035_100000210202 [2,0,0,0,0,0|1,0,1]=4 2613 B14R2.7150 CCOc1cncc2c1cccc2 34a_100000066178_100000210202 [2,0,0,0,0,0|1,0,1]=4 2614 B14R2.7150 CCOc1cncc2c1cccc2 7a_100000066178_100000210202 [2,0,0,0,0,0|1,0,1]=4 2615 B14R2.7150 CCOc1nccc2c1cccc2 34a_102531767632_100000210202 [2,0,0,0,0,0|1,0,1]=4 2616 B14R2.7150 CCSc1cccc2c1cccc2 62a_100000210202_100000210605 [2,0,0,0,0,0|0,1,1]=4 2617 B14R2.7150 CNCc1cccc2c1cccc2 207a_100102657272_100000210074 [2,0,0,0,0,0|2,0,0]=4 2618 B14R2.7150 CNCc1cccc2c1cccc2 2230a_106832991635_100011261445 [2,0,0,0,0,0|2,0,0]=4 2619 B14R2.7150 CNCc1cccc2c1cccc2 270004a_106832991635_100000210074 [2,0,0,0,0,0|2,0,0]=4 2620 B14R2.7150 CNCc1cccc2c1cccc2 34a_100000753325_200000210301 [2,0,0,0,0,0|2,0,0]=4 2621 B14R2.7150 CNCc1cccc2c1cccc2 34a_100102657272_100011261445 [2,0,0,0,0,0|2,0,0]=4 2622 B14R2.7150 CNCc1cccc2c1cccc2 7a_106832991635_100011261445 [2,0,0,0,0,0|2,0,0]=4 2623 B14R2.7150 COCc1cccc2c1cccc2 34a_100011216843_200000210301 [2,0,0,0,0,0|2,0,0]=4 2624 B14R2.7150 COCc1cccc2c1cccc2 34a_100138415774_100011261445 [2,0,0,0,0,0|2,0,0]=4 2625 B14R2.7150 COCc1cccc2c1cccc2 7a_100011216843_200000210301 [2,0,0,0,0,0|2,0,0]=4 2626 B14R2.7150 CSCc1cccc2c1cccc2 62a_100011261445_200000210301 [2,0,0,0,0,0|2,0,0]=4 2627 B14R2.7150 CSCc1cccc2c1cccc2 62a_200000210301_100000188474 [2,0,0,0,0,0|2,0,0]=4 2628 B14R2.7150 FCNc1cccc2c1cccc2 34a_100000185869_100015361967 [2,0,0,0,0,0|2,0,0]=4 2629 B14R2.7150 FCOc1cccc2c1cccc2 34a_100000210388_100015361967 [2,0,0,0,0,0|1,0,0]=3 2630 B14R2.7150 FCOc1cccc2c1cccc2 7a_100000210388_100015361967 [2,0,0,0,0,0|1,0,0]=3 2631 B14R2.7150 FCOc1cccc2c1cccn2 34a_100011197808_100015361967 [2,0,0,0,0,0|2,0,0]=4 2632 B14R2.7150 FCOc1cccc2c1ccnc2 34a_100011218533_100015361967 [2,0,0,0,0,0|2,0,0]=4 2633 B14R2.7150 FCOc1cccc2c1cncc2 34a_103624766955_100015361967 [2,0,0,0,0,0|2,0,0]=4 2634 B14R2.7150 FCOc1cccc2c1nccc2 34a_100000056035_100015361967 [2,0,0,0,0,0|2,0,0]=4 2635 B14R2.7150 FCOc1cncc2c1cccc2 34a_100000066178_100015361967 [2,0,0,0,0,0|2,0,0]=4 2636 B14R2.7150 FCOc1cncc2c1cccc2 7a_100000066178_100015361967 [2,0,0,0,0,0|2,0,0]=4 2637 B14R2.7150 FCOc1nccc2c1cccc2 34a_102531767632_100015361967 [2,0,0,0,0,0|2,0,0]=4 2638 B14R2.7150 FCSc1cccc2c1cccc2 62a_100015361967_100000210605 [2,0,0,0,0,0|1,1,0]=4 2639 B14R2.7150 [13CH3]NCc1cccc2c1cccc2 34a_100000753325_200025704644 [2,0,0,0,0,0|2,0,0]=4 2640 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 34a_100011216843_200025704644 [2,0,0,0,0,0|2,0,0]=4 2641 B14R2.7150 [13CH3]OCc1cccc2c1cccc2 7a_100011216843_200025704644 [2,0,0,0,0,0|2,0,0]=4 2642 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_100011261445_200025704644 [2,0,0,0,0,0|2,0,0]=4 2643 B14R2.7150 [13CH3]SCc1cccc2c1cccc2 62a_200025704644_100000188474 [2,0,0,0,0,0|2,0,0]=4 2644 B16R1.697 C=C=Cc1ccccc1C(=O)OCC(=O)C 271570a_100015277604_201991511838 [0,1,1,0,0,0|2,0,0]=4 2645 B16R1.697 CC=Cc1ccccc1C(=O)OCC(=O)C 271570a_100016259895_201991511838 [0,1,1,0,0,0|2,0,0]=4 2646 B16R1.4547 C=C(C)c1ccccc1C(=O)OCC(=O)C 271570a_100000694244_201991511838 [0,1,1,0,0,0|2,0,0]=4 2647 B16R1.5567 C=Cc1ccccc1C(=O)NCC(=O)OC 188690a_100000185156_100011830265 [0,1,1,0,0,0|2,0,0]=4 2648 B16R1.6929 NC(=O)CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000187820 [0,1,1,0,0,0|2,0,0]=4 2649 B16R1.6929 O=C([O-])CC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100020667443 [0,1,1,0,0,0|1,0,1]=4 2650 B16R1.937 C=CCC(=O)c1cccc(c1)OCC(=O)N 1458a_100000186838_100000210623 [0,1,1,0,0,0|1,0,1]=4 2651 B16R1.1235 C=CCSc1cccc(c1)OCC(=O)OC 62a_100000210623_200000148702 [0,1,1,0,0,0|1,0,1]=4 2652 B16R1.1235 C=CCSc1cccc(c1)OCC(=O)OC 62a_200000148702_100000210623 [0,1,1,0,0,0|1,0,1]=4 2653 B16R1.4401 C=CC(=O)Nc1cccc(c1)OCC(=O)N 34a_100011235909_100000187820 [0,1,1,0,0,0|2,0,0]=4 2654 B16R1.4401 C=CC(=O)Nc1cccc(c1)OCC(=O)N 7a_100011235909_100000187820 [0,1,1,0,0,0|2,0,0]=4 2655 B16R1.4401 C=CC(=O)Nc1cccc(c1)OCC(=O)[O-] 34a_100011235909_100020667443 [0,1,1,0,0,0|1,0,1]=4 2656 B16R1.994 C=CCOc1ccccc1OCC(=O)OC 34a_200011262142_100000747449 [0,1,1,0,0,0|1,0,1]=4 2657 B16R1.994 C=CCOc1ccccc1OCC(=O)OC 7a_200011262142_100000747449 [0,1,1,0,0,0|1,0,1]=4 2658 B16R1.994 C=CCSc1ccccc1OCC(=O)OC 62a_100000210623_200000173920 [0,1,1,0,0,0|1,0,1]=4 2659 B16R1.994 C=CCSc1ccccc1OCC(=O)OC 62a_200000173920_100000210623 [0,1,1,0,0,0|1,0,1]=4 2660 B16R1.994 COC(=O)CSc1ccccc1/C=C/C=O 62a_100000747449_200016268969 [0,1,1,0,0,0|1,1,0]=4 2661 B16R1.994 COC(=O)CSc1ccccc1/C=C/C=O 62a_200016268969_100000747449 [0,1,1,0,0,0|1,1,0]=4 2662 B16R1.12697 C=CCC(OCC(=O)OC)c1ccccc1 34a_100000687291_100000747449 [0,1,1,0,0,0|0,0,2]=4 2663 B16R1.12697 C=CCC(OCC(=O)OC)c1ccccc1 7a_100000687291_100000747449 [0,1,1,0,0,0|0,0,2]=4 2664 B16R2.958 C#CCOc1cccc2c1ccc(c2)Br 34a_100010202202_100000184674 [1,1,0,0,0,0|1,0,1]=4 2665 B16R2.958 C#CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100000038162 [1,1,0,0,0,0|1,0,1]=4 2666 B16R2.958 C#CCOc1cccc2c1ccc(c2)F 34a_100009846233_100000184674 [1,1,0,0,0,0|1,0,1]=4 2667 B16R2.958 C#CCOc1cccc2c1ccc(c2)F 7a_100009846233_100000038162 [1,1,0,0,0,0|1,0,1]=4 2668 B16R2.958 C#CCOc1cccc2c1ccc(c2)N 34a_100000035793_100000184674 [1,1,0,0,0,0|1,0,1]=4 2669 B16R2.958 C=CCNc1cccc2c1ccc(c2)Br 34a_100010090037_100015514636 [1,1,0,0,0,0|2,0,0]=4 2670 B16R2.958 C=CCNc1cccc2c1ccc(c2)O 34a_100000034668_100015514636 [1,1,0,0,0,0|2,0,0]=4 2671 B16R2.958 C=CCOc1cccc2c1ccc(c2)Br 34a_100010202202_100015514636 [1,1,0,0,0,0|1,0,0]=3 2672 B16R2.958 C=CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100015514636 [1,1,0,0,0,0|1,0,0]=3 2673 B16R2.958 C=CCOc1cccc2c1ccc(c2)F 34a_100009846233_100015514636 [1,1,0,0,0,0|1,0,0]=3 2674 B16R2.958 C=CCOc1cccc2c1ccc(c2)F 7a_100009846233_100015514636 [1,1,0,0,0,0|1,0,0]=3 2675 B16R2.958 C=CCOc1cccc2c1ccc(c2)N 34a_100000035793_100015514636 [1,1,0,0,0,0|1,0,0]=3 2676 B16R2.958 C=CCOc1cccc2c1ncc(c2)C 34a_100000144662_100015514636 [1,1,0,0,0,0|2,0,0]=4 2677 B16R2.958 C=CCOc1cccc2c1ncc(c2)C 7a_100000144662_100015514636 [1,1,0,0,0,0|2,0,0]=4 2678 B16R2.958 C=CCOc1cccc2c1ncc(c2)Cl 34a_100009858588_100015514636 [1,1,0,0,0,0|2,0,0]=4 2679 B16R2.958 C=CCOc1cccc2c1ncc(c2)Cl 7a_100009858588_100015514636 [1,1,0,0,0,0|2,0,0]=4 2680 B16R2.958 C=CCOc1ccnc2c1ccc(c2)Cl 34a_100011215206_100015514636 [1,1,0,0,0,0|2,0,0]=4 2681 B16R2.958 C=CCOc1ccnc2c1ccc(c2)F 34a_100000004115_100015514636 [1,1,0,0,0,0|2,0,0]=4 2682 B16R2.958 C=CCOc1nccc2c1ccc(c2)Br 34a_100000760485_100015514636 [1,1,0,0,0,0|2,0,0]=4 2683 B16R2.958 CCCOc1cccc2c1ccc(c2)Br 34a_100010202202_100000210303 [1,1,0,0,0,0|1,0,1]=4 2684 B16R2.958 CCCOc1cccc2c1ccc(c2)Br 7a_100010202202_100000210303 [1,1,0,0,0,0|1,0,1]=4 2685 B16R2.958 CCCOc1cccc2c1ccc(c2)F 34a_100009846233_100000210303 [1,1,0,0,0,0|1,0,1]=4 2686 B16R2.958 CCCOc1cccc2c1ccc(c2)F 7a_100009846233_100000210303 [1,1,0,0,0,0|1,0,1]=4 2687 B16R2.958 CCCOc1cccc2c1ccc(c2)N 34a_100000035793_100000210303 [1,1,0,0,0,0|1,0,1]=4 2688 B16R2.958 CSCOc1cccc2c1ccc(c2)Br 34a_100010202202_100011218213 [1,1,0,0,0,0|2,0,0]=4 2689 B16R2.958 CSCOc1cccc2c1ccc(c2)F 34a_100009846233_100011218213 [1,1,0,0,0,0|2,0,0]=4 2690 B16R2.958 CSCOc1cccc2c1ccc(c2)N 34a_100000035793_100011218213 [1,1,0,0,0,0|2,0,0]=4 2691 B16R2.958 Cc1ccc2c(cccc2n1)NCC=O 34a_106741707140_200009817547 [1,1,0,0,0,0|2,0,0]=4 2692 B16R2.958 Cc1ccc2c(cccc2n1)SCC=O 62a_100010173736_200015260668 [1,1,0,0,0,0|1,1,0]=4 2693 B16R2.958 Cc1ccc2c(cccc2n1)SCC=O 62a_200015260668_100010173736 [1,1,0,0,0,0|1,1,0]=4 2694 B16R2.958 Cc1ccc2c(nccc2c1)SCC=O 62a_200015260668_100000102439 [1,1,0,0,0,0|1,1,0]=4 2695 B16R2.958 Cc1cnc2c(cccc2c1)OCC=O 34a_100000144662_200009817547 [1,1,0,0,0,0|1,0,0]=3 2696 B16R2.958 Cc1cnc2c(cccc2c1)OCC=O 7a_100000144662_200015260668 [1,1,0,0,0,0|1,0,0]=3 2697 B16R2.958 Cc1cnc2c(cccc2c1)OCCO 34a_100000144662_100000211926 [1,1,0,0,0,0|1,0,1]=4 2698 B16R2.958 Cc1cnc2c(cccc2c1)OCCO 7a_100000144662_100000211926 [1,1,0,0,0,0|1,0,1]=4 2699 B16R2.958 FCCOc1cccc2c1ccc(c2)Br 34a_100010202202_100011217306 [1,1,0,0,0,0|1,0,1]=4 2700 B16R2.958 FCCOc1cccc2c1ccc(c2)Br 7a_100010202202_100011217306 [1,1,0,0,0,0|1,0,1]=4 2701 B16R2.958 FCCOc1cccc2c1ccc(c2)F 34a_100009846233_100011217306 [1,1,0,0,0,0|1,0,1]=4 2702 B16R2.958 FCCOc1cccc2c1ccc(c2)F 7a_100009846233_100011217306 [1,1,0,0,0,0|1,0,1]=4 2703 B16R2.958 N#CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100011215382 [1,1,0,0,0,0|1,0,1]=4 2704 B16R2.958 N#CCOc1cccc2c1ccc(c2)F 7a_100009846233_100011215382 [1,1,0,0,0,0|1,0,1]=4 2705 B16R2.958 Nc1cc2cccc(c2cn1)SCC=O 62a_100010201637_200015260668 [1,1,0,0,0,0|1,1,0]=4 2706 B16R2.958 Nc1cc2cccc(c2cn1)SCC=O 62a_200015260668_100010201637 [1,1,0,0,0,0|1,1,0]=4 2707 B16R2.958 Nc1ccc2c(cccc2c1)OCC=O 34a_100000035793_200009817547 [1,1,0,0,0,0|0,0,0]=2 2708 B16R2.958 Nc1ccc2c(cccc2c1)OCCF 34a_100000035793_100011217306 [1,1,0,0,0,0|1,0,1]=4 2709 B16R2.958 Nc1ccc2c(cccc2c1)OCCO 34a_100000035793_100000211926 [1,1,0,0,0,0|0,0,1]=3 2710 B16R2.958 Nc1ccc2c(cccc2n1)SCC=O 62a_100000723655_200015260668 [1,1,0,0,0,0|1,1,0]=4 2711 B16R2.958 O=CCNc1cccc2c1ccc(c2)Br 34a_100010090037_200009817547 [1,1,0,0,0,0|1,0,0]=3 2712 B16R2.958 O=CCNc1cccc2c1ccc(c2)O 34a_100000034668_200009817547 [1,1,0,0,0,0|1,0,0]=3 2713 B16R2.958 O=CCNc1cccc2c1ncc(c2)Br 34a_100000702407_200009817547 [1,1,0,0,0,0|2,0,0]=4 2714 B16R2.958 O=CCOc1cccc2c1ccc(c2)Br 34a_100010202202_200009817547 [1,1,0,0,0,0|0,0,0]=2 2715 B16R2.958 O=CCOc1cccc2c1ccc(c2)Br 7a_100010202202_200015260668 [1,1,0,0,0,0|0,0,0]=2 2716 B16R2.958 O=CCOc1cccc2c1ccc(c2)F 34a_100009846233_200009817547 [1,1,0,0,0,0|0,0,0]=2 2717 B16R2.958 O=CCOc1cccc2c1ccc(c2)F 7a_100009846233_200015260668 [1,1,0,0,0,0|0,0,0]=2 2718 B16R2.958 O=CCOc1cccc2c1ncc(c2)Cl 34a_100009858588_200009817547 [1,1,0,0,0,0|1,0,0]=3 2719 B16R2.958 O=CCOc1cccc2c1ncc(c2)Cl 7a_100009858588_200015260668 [1,1,0,0,0,0|1,0,0]=3 2720 B16R2.958 O=CCOc1ccnc2c1ccc(c2)Cl 34a_100011215206_200009817547 [1,1,0,0,0,0|1,0,0]=3 2721 B16R2.958 O=CCOc1ccnc2c1ccc(c2)F 34a_100000004115_200009817547 [1,1,0,0,0,0|1,0,0]=3 2722 B16R2.958 O=CCOc1nccc2c1ccc(c2)Br 34a_100000760485_200009817547 [1,1,0,0,0,0|1,0,0]=3 2723 B16R2.958 O=CCOc1nccc2c1ncc(c2)Br 34a_100010117065_200009817547 [1,1,0,0,0,0|2,0,0]=4 2724 B16R2.958 O=CCSc1cccc2c1cc[n+](c2)[O-] 62a_200015260668_200010126733 [1,1,0,0,0,0|1,1,0]=4 2725 B16R2.958 O=CCSc1cccc2c1ccc(=O)[nH]2 62a_200015260668_100000726145 [1,1,0,0,0,0|1,1,0]=4 2726 B16R2.958 O=CCSc1cccc2c1cnc(c2)O 62a_200015260668_100009817091 [1,1,0,0,0,0|1,1,0]=4 2727 B16R2.958 O=CCSc1ccnc2c1ccc(c2)Cl 62a_100012352046_200015260668 [1,1,0,0,0,0|1,1,0]=4 2728 B16R2.958 O=CCSc1ccnc2c1ccc(c2)Cl 62a_200015260668_100012352046 [1,1,0,0,0,0|1,1,0]=4 2729 B16R2.958 O=CCSc1ccnc2c1ccc(c2)F 62a_100000755548_200015260668 [1,1,0,0,0,0|1,1,0]=4 2730 B16R2.958 O=CCSc1ccnc2c1ccc(c2)F 62a_200015260668_100000755548 [1,1,0,0,0,0|1,1,0]=4 2731 B16R2.958 O=CCSc1ccnc2c1ccc(c2)O 62a_200015260668_100000045489 [1,1,0,0,0,0|1,1,0]=4 2732 B16R2.958 O=CCSc1nccc2c1ccc(c2)F 62a_200015260668_100000097391 [1,1,0,0,0,0|1,1,0]=4 2733 B16R2.958 O=CCSc1nccc2c1ccc(c2)O 62a_200015260668_100009867704 [1,1,0,0,0,0|1,1,0]=4 2734 B16R2.958 OCCNc1cccc2c1ccc(c2)Br 34a_100010090037_100000211926 [1,1,0,0,0,0|1,0,1]=4 2735 B16R2.958 OCCNc1cccc2c1ccc(c2)O 34a_100000034668_100000211926 [1,1,0,0,0,0|1,0,1]=4 2736 B16R2.958 OCCOc1cccc2c1ccc(c2)Br 34a_100010202202_100000211926 [1,1,0,0,0,0|0,0,1]=3 2737 B16R2.958 OCCOc1cccc2c1ccc(c2)Br 7a_100010202202_100000211926 [1,1,0,0,0,0|0,0,1]=3 2738 B16R2.958 OCCOc1cccc2c1ccc(c2)F 34a_100009846233_100000211926 [1,1,0,0,0,0|0,0,1]=3 2739 B16R2.958 OCCOc1cccc2c1ccc(c2)F 7a_100009846233_100000211926 [1,1,0,0,0,0|0,0,1]=3 2740 B16R2.958 OCCOc1cccc2c1ncc(c2)Cl 34a_100009858588_100000211926 [1,1,0,0,0,0|1,0,1]=4 2741 B16R2.958 OCCOc1cccc2c1ncc(c2)Cl 7a_100009858588_100000211926 [1,1,0,0,0,0|1,0,1]=4 2742 B16R2.958 OCCOc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000211926 [1,1,0,0,0,0|1,0,1]=4 2743 B16R2.958 OCCOc1ccnc2c1ccc(c2)F 34a_100000004115_100000211926 [1,1,0,0,0,0|1,0,1]=4 2744 B16R2.958 OCCOc1nccc2c1ccc(c2)Br 34a_100000760485_100000211926 [1,1,0,0,0,0|1,0,1]=4 2745 B16R2.963 C#CCOc1cccc2c1cccc2Br 34a_100010003857_100000184674 [1,1,0,0,0,0|1,0,1]=4 2746 B16R2.963 C#CCOc1cccc2c1cccc2Br 7a_100010003857_100000038162 [1,1,0,0,0,0|1,0,1]=4 2747 B16R2.963 C#CCOc1cccc2c1cccc2N 34a_100000210686_100000184674 [1,1,0,0,0,0|1,0,1]=4 2748 B16R2.963 C=CCNc1cccc2c1cccc2Br 34a_100009816864_100015514636 [1,1,0,0,0,0|2,0,0]=4 2749 B16R2.963 C=CCNc1cccc2c1cccc2Cl 34a_100000077128_100015514636 [1,1,0,0,0,0|2,0,0]=4 2750 B16R2.963 C=CCNc1cccc2c1cccc2O 34a_100000210686_100015514636 [1,1,0,0,0,0|2,0,0]=4 2751 B16R2.963 C=CCOc1cccc2c1cccc2Br 34a_100010003857_100015514636 [1,1,0,0,0,0|1,0,0]=3 2752 B16R2.963 C=CCOc1cccc2c1cccc2Br 7a_100010003857_100015514636 [1,1,0,0,0,0|1,0,0]=3 2753 B16R2.963 C=CCOc1cccc2c1cccc2N 34a_100000210686_100015514636 [1,1,0,0,0,0|1,0,0]=3 2754 B16R2.963 C=CCOc1cccc2c1nccc2Br 34a_100000703299_100015514636 [1,1,0,0,0,0|2,0,0]=4 2755 B16R2.963 C=CCOc1cccc2c1nccc2Br 7a_100000703299_100015514636 [1,1,0,0,0,0|2,0,0]=4 2756 B16R2.963 C=CCOc1cccc2c1nccc2C 7a_100000702989_100015514636 [1,1,0,0,0,0|2,0,0]=4 2757 B16R2.963 C=CCOc1ccnc2c1cccc2F 34a_100000709910_100015514636 [1,1,0,0,0,0|2,0,0]=4 2758 B16R2.963 C=CCSc1cccc2c1cccc2F 62a_100000210623_100009817034 [1,1,0,0,0,0|1,1,0]=4 2759 B16R2.963 C=CCSc1cccc2c1cccc2F 62a_100009817034_100000210623 [1,1,0,0,0,0|1,1,0]=4 2760 B16R2.963 C=CCSc1cccc2c1cccc2N 62a_100009816864_100000210623 [1,1,0,0,0,0|1,1,0]=4 2761 B16R2.963 C=CCSc1cccc2c1cccc2O 62a_100000210623_100010003857 [1,1,0,0,0,0|1,1,0]=4 2762 B16R2.963 CCCOc1cccc2c1cccc2Br 34a_100010003857_100000210303 [1,1,0,0,0,0|1,0,1]=4 2763 B16R2.963 CCCOc1cccc2c1cccc2Br 7a_100010003857_100000210303 [1,1,0,0,0,0|1,0,1]=4 2764 B16R2.963 CCCOc1cccc2c1cccc2N 34a_100000210686_100000210303 [1,1,0,0,0,0|1,0,1]=4 2765 B16R2.963 CSCOc1cccc2c1cccc2Br 34a_100010003857_100011218213 [1,1,0,0,0,0|2,0,0]=4 2766 B16R2.963 CSCOc1cccc2c1cccc2N 34a_100000210686_100011218213 [1,1,0,0,0,0|2,0,0]=4 2767 B16R2.963 C[n+]1cccc2c1cccc2NCC=O 34a_200021579679_200009817547 [1,1,0,0,0,0|2,0,0]=4 2768 B16R2.963 Cc1cccc2c1ccnc2SCC=O 62a_200015260668_100012002547 [1,1,0,0,0,0|1,1,0]=4 2769 B16R2.963 Cc1cccc2c1nccc2SCC=O 62a_200015260668_100000751276 [1,1,0,0,0,0|1,1,0]=4 2770 B16R2.963 Cc1ccnc2c1cccc2NCC=O 34a_100011934384_200009817547 [1,1,0,0,0,0|2,0,0]=4 2771 B16R2.963 Cc1ccnc2c1cccc2OCC=O 7a_100000702989_200015260668 [1,1,0,0,0,0|1,0,0]=3 2772 B16R2.963 Cc1ccnc2c1cccc2OCCO 7a_100000702989_100000211926 [1,1,0,0,0,0|1,0,1]=4 2773 B16R2.963 Cc1ccnc2c1cccc2SCC=O 62a_200015260668_100010254272 [1,1,0,0,0,0|1,1,0]=4 2774 B16R2.963 Cc1nccc2c1cccc2SCC=O 62a_100010137443_200015260668 [1,1,0,0,0,0|1,1,0]=4 2775 B16R2.963 Cc1nccc2c1cccc2SCC=O 62a_200015260668_100010137443 [1,1,0,0,0,0|1,1,0]=4 2776 B16R2.963 FCCOc1cccc2c1cccc2Br 34a_100010003857_100011217306 [1,1,0,0,0,0|1,0,1]=4 2777 B16R2.963 FCCOc1cccc2c1cccc2Br 7a_100010003857_100011217306 [1,1,0,0,0,0|1,0,1]=4 2778 B16R2.963 N#CCOc1cccc2c1cccc2Br 7a_100010003857_100011215382 [1,1,0,0,0,0|1,0,1]=4 2779 B16R2.963 Nc1cccc2c1cccc2OCC=O 34a_100000210686_200009817547 [1,1,0,0,0,0|0,0,0]=2 2780 B16R2.963 Nc1cccc2c1cccc2OCCF 34a_100000210686_100011217306 [1,1,0,0,0,0|1,0,1]=4 2781 B16R2.963 Nc1cccc2c1cccc2OCCO 34a_100000210686_100000211926 [1,1,0,0,0,0|0,0,1]=3 2782 B16R2.963 Nc1cccc2c1cccc2SCC=O 62a_100009816864_200015260668 [1,1,0,0,0,0|0,1,0]=3 2783 B16R2.963 Nc1cccc2c1cccc2SCCO 62a_100009816864_100000211926 [1,1,0,0,0,0|0,1,1]=4 2784 B16R2.963 Nc1cccc2c1ccnc2SCC=O 62a_200015260668_100000070072 [1,1,0,0,0,0|1,1,0]=4 2785 B16R2.963 Nc1cccc2c1nccc2SCC=O 62a_200015260668_100009892510 [1,1,0,0,0,0|1,1,0]=4 2786 B16R2.963 Nc1ccnc2c1cccc2SCC=O 62a_100011620713_200015260668 [1,1,0,0,0,0|1,1,0]=4 2787 B16R2.963 Nc1ccnc2c1cccc2SCC=O 62a_200015260668_100011620713 [1,1,0,0,0,0|1,1,0]=4 2788 B16R2.963 Nc1nccc2c1cccc2SCC=O 62a_103549770558_200015260668 [1,1,0,0,0,0|1,1,0]=4 2789 B16R2.963 O=CCNc1cccc2c1cccc2Br 34a_100009816864_200009817547 [1,1,0,0,0,0|1,0,0]=3 2790 B16R2.963 O=CCNc1cccc2c1cccc2Cl 34a_100000077128_200009817547 [1,1,0,0,0,0|1,0,0]=3 2791 B16R2.963 O=CCNc1cccc2c1cccc2O 34a_100000210686_200009817547 [1,1,0,0,0,0|1,0,0]=3 2792 B16R2.963 O=CCNc1cccc2c1ccnc2Cl 34a_100000070072_200009817547 [1,1,0,0,0,0|2,0,0]=4 2793 B16R2.963 O=CCNc1cccc2c1nccc2Cl 34a_100009892510_200009817547 [1,1,0,0,0,0|2,0,0]=4 2794 B16R2.963 O=CCOc1cccc2c1cccc2Br 34a_100010003857_200009817547 [1,1,0,0,0,0|0,0,0]=2 2795 B16R2.963 O=CCOc1cccc2c1cccc2Br 7a_100010003857_200015260668 [1,1,0,0,0,0|0,0,0]=2 2796 B16R2.963 O=CCOc1cccc2c1nccc2Br 34a_100000703299_200009817547 [1,1,0,0,0,0|1,0,0]=3 2797 B16R2.963 O=CCOc1cccc2c1nccc2Br 7a_100000703299_200015260668 [1,1,0,0,0,0|1,0,0]=3 2798 B16R2.963 O=CCOc1ccnc2c1cccc2F 34a_100000709910_200009817547 [1,1,0,0,0,0|1,0,0]=3 2799 B16R2.963 O=CCSc1cccc2c1cc[nH]c2=O 62a_200015260668_100000703947 [1,1,0,0,0,0|1,1,0]=4 2800 B16R2.963 O=CCSc1cccc2c1cccc2F 62a_100009817034_200015260668 [1,1,0,0,0,0|0,1,0]=3 2801 B16R2.963 O=CCSc1cccc2c1cccc2F 62a_200015260668_100009817034 [1,1,0,0,0,0|0,1,0]=3 2802 B16R2.963 O=CCSc1cccc2c1cccc2O 62a_200015260668_100010003857 [1,1,0,0,0,0|0,1,0]=3 2803 B16R2.963 O=CCSc1cccc2c1ccnc2Cl 62a_200015260668_100010080171 [1,1,0,0,0,0|1,1,0]=4 2804 B16R2.963 O=CCSc1ccnc2c1cccc2F 62a_100011934723_200015260668 [1,1,0,0,0,0|1,1,0]=4 2805 B16R2.963 O=CCSc1ccnc2c1cccc2F 62a_200015260668_100011934723 [1,1,0,0,0,0|1,1,0]=4 2806 B16R2.963 O=CCSc1ccnc2c1cccc2O 62a_200015260668_100000703299 [1,1,0,0,0,0|1,1,0]=4 2807 B16R2.963 O=CCSc1cncc2c1cccc2F 62a_100010740057_200015260668 [1,1,0,0,0,0|1,1,0]=4 2808 B16R2.963 O=CCSc1cncc2c1cccc2F 62a_200015260668_100010740057 [1,1,0,0,0,0|1,1,0]=4 2809 B16R2.963 O=CCSc1nccc2c1cccc2F 62a_200015260668_100012180906 [1,1,0,0,0,0|1,1,0]=4 2810 B16R2.963 OCCNc1cccc2c1cccc2Br 34a_100009816864_100000211926 [1,1,0,0,0,0|1,0,1]=4 2811 B16R2.963 OCCNc1cccc2c1cccc2Cl 34a_100000077128_100000211926 [1,1,0,0,0,0|1,0,1]=4 2812 B16R2.963 OCCNc1cccc2c1cccc2O 34a_100000210686_100000211926 [1,1,0,0,0,0|1,0,1]=4 2813 B16R2.963 OCCOc1cccc2c1cccc2Br 34a_100010003857_100000211926 [1,1,0,0,0,0|0,0,1]=3 2814 B16R2.963 OCCOc1cccc2c1cccc2Br 7a_100010003857_100000211926 [1,1,0,0,0,0|0,0,1]=3 2815 B16R2.963 OCCOc1cccc2c1nccc2Br 34a_100000703299_100000211926 [1,1,0,0,0,0|1,0,1]=4 2816 B16R2.963 OCCOc1cccc2c1nccc2Br 7a_100000703299_100000211926 [1,1,0,0,0,0|1,0,1]=4 2817 B16R2.963 OCCOc1ccnc2c1cccc2F 34a_100000709910_100000211926 [1,1,0,0,0,0|1,0,1]=4 2818 B16R2.963 OCCSc1cccc2c1cccc2F 62a_100000211926_100009817034 [1,1,0,0,0,0|0,1,1]=4 2819 B16R2.963 OCCSc1cccc2c1cccc2F 62a_100009817034_100000211926 [1,1,0,0,0,0|0,1,1]=4 2820 B16R2.963 OCCSc1cccc2c1cccc2O 62a_100000211926_100010003857 [1,1,0,0,0,0|0,1,1]=4 2821 B16R2.12192 C#CCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000184674 [1,1,0,0,0,0|1,0,1]=4 2822 B16R2.12192 C#CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000038162 [1,1,0,0,0,0|1,0,1]=4 2823 B16R2.12192 C#CCOc1ccc(c2c1cccc2)C 34a_100000074455_100000184674 [1,1,0,0,0,0|1,0,1]=4 2824 B16R2.12192 C#CCOc1ccc(c2c1cccc2)C 7a_100000074455_100000038162 [1,1,0,0,0,0|1,0,1]=4 2825 B16R2.12192 C#CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000184674 [1,1,0,0,0,0|1,0,1]=4 2826 B16R2.12192 C#CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000038162 [1,1,0,0,0,0|1,0,1]=4 2827 B16R2.12192 C#CCOc1ccc(c2c1cccc2)F 34a_100000100223_100000184674 [1,1,0,0,0,0|1,0,1]=4 2828 B16R2.12192 C#CCOc1ccc(c2c1cccc2)F 7a_100000100223_100000038162 [1,1,0,0,0,0|1,0,1]=4 2829 B16R2.12192 C#CCOc1ccc(c2c1cccc2)N 34a_100000705857_100000184674 [1,1,0,0,0,0|1,0,1]=4 2830 B16R2.12192 C#CCOc1ccc(c2c1cccc2)N 7a_100000705857_100000038162 [1,1,0,0,0,0|1,0,1]=4 2831 B16R2.12192 C=CCNc1ccc(c2c1cccc2)Br 34a_100000766797_100015514636 [1,1,0,0,0,0|2,0,0]=4 2832 B16R2.12192 C=CCNc1ccc(c2c1cccc2)Cl 34a_100011216319_100015514636 [1,1,0,0,0,0|2,0,0]=4 2833 B16R2.12192 C=CCNc1ccc(c2c1cccc2)F 34a_100011988692_100015514636 [1,1,0,0,0,0|2,0,0]=4 2834 B16R2.12192 C=CCNc1ccc(c2c1cccc2)O 34a_100000705857_100015514636 [1,1,0,0,0,0|2,0,0]=4 2835 B16R2.12192 C=CCOc1ccc(c2c1cccc2)Br 34a_100000186334_100015514636 [1,1,0,0,0,0|1,0,0]=3 2836 B16R2.12192 C=CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100015514636 [1,1,0,0,0,0|1,0,0]=3 2837 B16R2.12192 C=CCOc1ccc(c2c1cccc2)C 34a_100000074455_100015514636 [1,1,0,0,0,0|1,0,0]=3 2838 B16R2.12192 C=CCOc1ccc(c2c1cccc2)C 7a_100000074455_100015514636 [1,1,0,0,0,0|1,0,0]=3 2839 B16R2.12192 C=CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100015514636 [1,1,0,0,0,0|1,0,0]=3 2840 B16R2.12192 C=CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100015514636 [1,1,0,0,0,0|1,0,0]=3 2841 B16R2.12192 C=CCOc1ccc(c2c1cccc2)F 34a_100000100223_100015514636 [1,1,0,0,0,0|1,0,0]=3 2842 B16R2.12192 C=CCOc1ccc(c2c1cccc2)F 7a_100000100223_100015514636 [1,1,0,0,0,0|1,0,0]=3 2843 B16R2.12192 C=CCOc1ccc(c2c1cccc2)N 34a_100000705857_100015514636 [1,1,0,0,0,0|1,0,0]=3 2844 B16R2.12192 C=CCOc1ccc(c2c1cccc2)N 7a_100000705857_100015514636 [1,1,0,0,0,0|1,0,0]=3 2845 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Br 34a_100011934063_100015514636 [1,1,0,0,0,0|2,0,0]=4 2846 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Br 7a_100011934063_100015514636 [1,1,0,0,0,0|2,0,0]=4 2847 B16R2.12192 C=CCOc1ccc(c2c1nccc2)C 34a_100000058672_100015514636 [1,1,0,0,0,0|2,0,0]=4 2848 B16R2.12192 C=CCOc1ccc(c2c1nccc2)C 7a_100000058672_100015514636 [1,1,0,0,0,0|2,0,0]=4 2849 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Cl 34a_100000212186_100015514636 [1,1,0,0,0,0|2,0,0]=4 2850 B16R2.12192 C=CCOc1ccc(c2c1nccc2)Cl 7a_100000212186_100015514636 [1,1,0,0,0,0|2,0,0]=4 2851 B16R2.12192 C=CCOc1ccc(c2c1nccc2)F 34a_100000034212_100015514636 [1,1,0,0,0,0|2,0,0]=4 2852 B16R2.12192 C=CCOc1ccc(c2c1nccc2)F 7a_100000034212_100015514636 [1,1,0,0,0,0|2,0,0]=4 2853 B16R2.12192 C=CCOc1ccc(c2c1nccc2)N 34a_100000188197_100015514636 [1,1,0,0,0,0|2,0,0]=4 2854 B16R2.12192 C=CCOc1cnc(c2c1cccc2)Cl 34a_100000067196_100015514636 [1,1,0,0,0,0|2,0,0]=4 2855 B16R2.12192 C=CCOc1cnc(c2c1cccc2)Cl 7a_100000067196_100015514636 [1,1,0,0,0,0|2,0,0]=4 2856 B16R2.12192 C=CCSc1ccc(c2c1cccc2)Br 62a_100000210623_100012339872 [1,1,0,0,0,0|1,1,0]=4 2857 B16R2.12192 C=CCSc1ccc(c2c1cccc2)Br 62a_100012339872_100000210623 [1,1,0,0,0,0|1,1,0]=4 2858 B16R2.12192 C=CCSc1ccc(c2c1cccc2)C 62a_100000210623_100011215156 [1,1,0,0,0,0|1,1,0]=4 2859 B16R2.12192 C=CCSc1ccc(c2c1cccc2)C 62a_100011215156_100000210623 [1,1,0,0,0,0|1,1,0]=4 2860 B16R2.12192 C=CCSc1ccc(c2c1cccc2)F 62a_100000210623_100011218216 [1,1,0,0,0,0|1,1,0]=4 2861 B16R2.12192 C=CCSc1ccc(c2c1cccc2)F 62a_100011218216_100000210623 [1,1,0,0,0,0|1,1,0]=4 2862 B16R2.12192 C=CCSc1ccc(c2c1cccc2)N 62a_100000766797_100000210623 [1,1,0,0,0,0|1,1,0]=4 2863 B16R2.12192 C=CCSc1ccc(c2c1cccc2)O 62a_100000210623_100000186334 [1,1,0,0,0,0|1,1,0]=4 2864 B16R2.12192 CCCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000210303 [1,1,0,0,0,0|1,0,1]=4 2865 B16R2.12192 CCCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000210303 [1,1,0,0,0,0|1,0,1]=4 2866 B16R2.12192 CCCOc1ccc(c2c1cccc2)C 34a_100000074455_100000210303 [1,1,0,0,0,0|1,0,1]=4 2867 B16R2.12192 CCCOc1ccc(c2c1cccc2)C 7a_100000074455_100000210303 [1,1,0,0,0,0|1,0,1]=4 2868 B16R2.12192 CCCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000210303 [1,1,0,0,0,0|1,0,1]=4 2869 B16R2.12192 CCCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000210303 [1,1,0,0,0,0|1,0,1]=4 2870 B16R2.12192 CCCOc1ccc(c2c1cccc2)F 34a_100000100223_100000210303 [1,1,0,0,0,0|1,0,1]=4 2871 B16R2.12192 CCCOc1ccc(c2c1cccc2)F 7a_100000100223_100000210303 [1,1,0,0,0,0|1,0,1]=4 2872 B16R2.12192 CCCOc1ccc(c2c1cccc2)N 34a_100000705857_100000210303 [1,1,0,0,0,0|1,0,1]=4 2873 B16R2.12192 CCCOc1ccc(c2c1cccc2)N 7a_100000705857_100000210303 [1,1,0,0,0,0|1,0,1]=4 2874 B16R2.12192 CSCOc1ccc(c2c1cccc2)Br 34a_100000186334_100011218213 [1,1,0,0,0,0|2,0,0]=4 2875 B16R2.12192 CSCOc1ccc(c2c1cccc2)C 34a_100000074455_100011218213 [1,1,0,0,0,0|2,0,0]=4 2876 B16R2.12192 CSCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100011218213 [1,1,0,0,0,0|2,0,0]=4 2877 B16R2.12192 CSCOc1ccc(c2c1cccc2)F 34a_100000100223_100011218213 [1,1,0,0,0,0|2,0,0]=4 2878 B16R2.12192 CSCOc1ccc(c2c1cccc2)N 34a_100000705857_100011218213 [1,1,0,0,0,0|2,0,0]=4 2879 B16R2.12192 Cc1ccc(c2c1cccc2)OCC#N 7a_100000074455_100011215382 [1,1,0,0,0,0|1,0,1]=4 2880 B16R2.12192 Cc1ccc(c2c1cccc2)OCC=O 34a_100000074455_200009817547 [1,1,0,0,0,0|0,0,0]=2 2881 B16R2.12192 Cc1ccc(c2c1cccc2)OCC=O 7a_100000074455_200015260668 [1,1,0,0,0,0|0,0,0]=2 2882 B16R2.12192 Cc1ccc(c2c1cccc2)OCCF 34a_100000074455_100011217306 [1,1,0,0,0,0|1,0,1]=4 2883 B16R2.12192 Cc1ccc(c2c1cccc2)OCCF 7a_100000074455_100011217306 [1,1,0,0,0,0|1,0,1]=4 2884 B16R2.12192 Cc1ccc(c2c1cccc2)OCCO 34a_100000074455_100000211926 [1,1,0,0,0,0|0,0,1]=3 2885 B16R2.12192 Cc1ccc(c2c1cccc2)OCCO 7a_100000074455_100000211926 [1,1,0,0,0,0|0,0,1]=3 2886 B16R2.12192 Cc1ccc(c2c1cccc2)SCC=O 62a_100011215156_200015260668 [1,1,0,0,0,0|0,1,0]=3 2887 B16R2.12192 Cc1ccc(c2c1cccc2)SCC=O 62a_200015260668_100011215156 [1,1,0,0,0,0|0,1,0]=3 2888 B16R2.12192 Cc1ccc(c2c1cccc2)SCCO 62a_100000211926_100011215156 [1,1,0,0,0,0|0,1,1]=4 2889 B16R2.12192 Cc1ccc(c2c1cccc2)SCCO 62a_100011215156_100000211926 [1,1,0,0,0,0|0,1,1]=4 2890 B16R2.12192 Cc1ccc(c2c1cccn2)OCC=O 34a_100000058672_200009817547 [1,1,0,0,0,0|1,0,0]=3 2891 B16R2.12192 Cc1ccc(c2c1cccn2)OCC=O 7a_100000058672_200015260668 [1,1,0,0,0,0|1,0,0]=3 2892 B16R2.12192 Cc1ccc(c2c1cccn2)OCCO 34a_100000058672_100000211926 [1,1,0,0,0,0|1,0,1]=4 2893 B16R2.12192 Cc1ccc(c2c1cccn2)OCCO 7a_100000058672_100000211926 [1,1,0,0,0,0|1,0,1]=4 2894 B16R2.12192 Cc1ccc(c2c1nccc2)NCC=O 34a_100000736242_200009817547 [1,1,0,0,0,0|2,0,0]=4 2895 B16R2.12192 Cc1ccc(c2c1nccc2)SCC=O 62a_200015260668_100000694312 [1,1,0,0,0,0|1,1,0]=4 2896 B16R2.12192 Cc1cnc(c2c1cccc2)SCC=O 62a_200015260668_100000112005 [1,1,0,0,0,0|1,1,0]=4 2897 B16R2.12192 Cc1ncc(c2c1cccc2)SCC=O 62a_100010239772_200015260668 [1,1,0,0,0,0|1,1,0]=4 2898 B16R2.12192 Cc1ncc(c2c1cccc2)SCC=O 62a_200015260668_100010239772 [1,1,0,0,0,0|1,1,0]=4 2899 B16R2.12192 Cc1nnc(c2c1cccc2)OCC=O 34a_100000183092_200009817547 [1,1,0,0,0,0|2,0,0]=4 2900 B16R2.12192 FCCOc1ccc(c2c1cccc2)Br 34a_100000186334_100011217306 [1,1,0,0,0,0|1,0,1]=4 2901 B16R2.12192 FCCOc1ccc(c2c1cccc2)Br 7a_100000186334_100011217306 [1,1,0,0,0,0|1,0,1]=4 2902 B16R2.12192 FCCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100011217306 [1,1,0,0,0,0|1,0,1]=4 2903 B16R2.12192 FCCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100011217306 [1,1,0,0,0,0|1,0,1]=4 2904 B16R2.12192 FCCOc1ccc(c2c1cccc2)F 34a_100000100223_100011217306 [1,1,0,0,0,0|1,0,1]=4 2905 B16R2.12192 FCCOc1ccc(c2c1cccc2)F 7a_100000100223_100011217306 [1,1,0,0,0,0|1,0,1]=4 2906 B16R2.12192 N#CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100011215382 [1,1,0,0,0,0|1,0,1]=4 2907 B16R2.12192 N#CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100011215382 [1,1,0,0,0,0|1,0,1]=4 2908 B16R2.12192 N#CCOc1ccc(c2c1cccc2)F 7a_100000100223_100011215382 [1,1,0,0,0,0|1,0,1]=4 2909 B16R2.12192 N#CCOc1ccc(c2c1cccc2)N 7a_100000705857_100011215382 [1,1,0,0,0,0|1,0,1]=4 2910 B16R2.12192 Nc1ccc(c2c1cccc2)OCC=O 34a_100000705857_200009817547 [1,1,0,0,0,0|0,0,0]=2 2911 B16R2.12192 Nc1ccc(c2c1cccc2)OCC=O 7a_100000705857_200015260668 [1,1,0,0,0,0|0,0,0]=2 2912 B16R2.12192 Nc1ccc(c2c1cccc2)OCCF 34a_100000705857_100011217306 [1,1,0,0,0,0|1,0,1]=4 2913 B16R2.12192 Nc1ccc(c2c1cccc2)OCCF 7a_100000705857_100011217306 [1,1,0,0,0,0|1,0,1]=4 2914 B16R2.12192 Nc1ccc(c2c1cccc2)OCCO 34a_100000705857_100000211926 [1,1,0,0,0,0|0,0,1]=3 2915 B16R2.12192 Nc1ccc(c2c1cccc2)OCCO 7a_100000705857_100000211926 [1,1,0,0,0,0|0,0,1]=3 2916 B16R2.12192 Nc1ccc(c2c1cccc2)SCC=O 62a_100000766797_200015260668 [1,1,0,0,0,0|0,1,0]=3 2917 B16R2.12192 Nc1ccc(c2c1cccc2)SCCO 62a_100000766797_100000211926 [1,1,0,0,0,0|0,1,1]=4 2918 B16R2.12192 Nc1ccc(c2c1cccn2)OCC=O 34a_100000188197_200009817547 [1,1,0,0,0,0|1,0,0]=3 2919 B16R2.12192 Nc1ccc(c2c1cccn2)OCCO 34a_100000188197_100000211926 [1,1,0,0,0,0|1,0,1]=4 2920 B16R2.12192 Nc1ccc(c2c1cccn2)SCC=O 62a_100012360041_200015260668 [1,1,0,0,0,0|1,1,0]=4 2921 B16R2.12192 Nc1ccc(c2c1cccn2)SCC=O 62a_200015260668_100012360041 [1,1,0,0,0,0|1,1,0]=4 2922 B16R2.12192 Nc1ccc(c2c1ccnc2)SCC=O 62a_200012344021_200015260668 [1,1,0,0,0,0|1,1,0]=4 2923 B16R2.12192 Nc1ccc(c2c1ccnc2)SCC=O 62a_200015260668_200012344021 [1,1,0,0,0,0|1,1,0]=4 2924 B16R2.12192 Nc1ccc(c2c1cncc2)SCC=O 62a_100011218454_200015260668 [1,1,0,0,0,0|1,1,0]=4 2925 B16R2.12192 Nc1ccc(c2c1cncc2)SCC=O 62a_200015260668_100011218454 [1,1,0,0,0,0|1,1,0]=4 2926 B16R2.12192 Nc1ccc(c2c1nccc2)SCC=O 62a_100000726955_200015260668 [1,1,0,0,0,0|1,1,0]=4 2927 B16R2.12192 Nc1ccc(c2c1nccc2)SCC=O 62a_200015260668_100000726955 [1,1,0,0,0,0|1,1,0]=4 2928 B16R2.12192 Nc1cnc(c2c1cccc2)SCC=O 62a_200015260668_200009868590 [1,1,0,0,0,0|1,1,0]=4 2929 B16R2.12192 Nc1ncc(c2c1cccc2)SCC=O 62a_100010158575_200015260668 [1,1,0,0,0,0|1,1,0]=4 2930 B16R2.12192 Nc1ncc(c2c1cccc2)SCC=O 62a_200015260668_100010158575 [1,1,0,0,0,0|1,1,0]=4 2931 B16R2.12192 O=CCNc1ccc(c2c1cccc2)Br 34a_100000766797_200009817547 [1,1,0,0,0,0|1,0,0]=3 2932 B16R2.12192 O=CCNc1ccc(c2c1cccc2)Cl 34a_100011216319_200009817547 [1,1,0,0,0,0|1,0,0]=3 2933 B16R2.12192 O=CCNc1ccc(c2c1cccc2)F 34a_100011988692_200009817547 [1,1,0,0,0,0|1,0,0]=3 2934 B16R2.12192 O=CCNc1ccc(c2c1cccc2)O 34a_100000705857_200009817547 [1,1,0,0,0,0|1,0,0]=3 2935 B16R2.12192 O=CCNc1ccc(c2c1cccn2)Br 34a_100012360041_200009817547 [1,1,0,0,0,0|2,0,0]=4 2936 B16R2.12192 O=CCNc1ccc(c2c1cccn2)Cl 34a_100000746469_200009817547 [1,1,0,0,0,0|2,0,0]=4 2937 B16R2.12192 O=CCNc1ccc(c2c1cccn2)F 34a_102125277280_200009817547 [1,1,0,0,0,0|2,0,0]=4 2938 B16R2.12192 O=CCNc1ccc(c2c1cccn2)O 34a_100000188197_200009817547 [1,1,0,0,0,0|2,0,0]=4 2939 B16R2.12192 O=CCNc1ccc(c2c1ccnc2)Cl 34a_100012183343_200009817547 [1,1,0,0,0,0|2,0,0]=4 2940 B16R2.12192 O=CCNc1ccc(c2c1nccc2)Br 34a_100000726955_200009817547 [1,1,0,0,0,0|2,0,0]=4 2941 B16R2.12192 O=CCNc1ccc(c2c1nccc2)Cl 34a_100000736140_200009817547 [1,1,0,0,0,0|2,0,0]=4 2942 B16R2.12192 O=CCOc1ccc(c2c1cccc2)Br 34a_100000186334_200009817547 [1,1,0,0,0,0|0,0,0]=2 2943 B16R2.12192 O=CCOc1ccc(c2c1cccc2)Br 7a_100000186334_200015260668 [1,1,0,0,0,0|0,0,0]=2 2944 B16R2.12192 O=CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_200009817547 [1,1,0,0,0,0|0,0,0]=2 2945 B16R2.12192 O=CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_200015260668 [1,1,0,0,0,0|0,0,0]=2 2946 B16R2.12192 O=CCOc1ccc(c2c1cccc2)F 34a_100000100223_200009817547 [1,1,0,0,0,0|0,0,0]=2 2947 B16R2.12192 O=CCOc1ccc(c2c1cccc2)F 7a_100000100223_200015260668 [1,1,0,0,0,0|0,0,0]=2 2948 B16R2.12192 O=CCOc1ccc(c2c1nccc2)Br 34a_100011934063_200009817547 [1,1,0,0,0,0|1,0,0]=3 2949 B16R2.12192 O=CCOc1ccc(c2c1nccc2)Br 7a_100011934063_200015260668 [1,1,0,0,0,0|1,0,0]=3 2950 B16R2.12192 O=CCOc1ccc(c2c1nccc2)Cl 34a_100000212186_200009817547 [1,1,0,0,0,0|1,0,0]=3 2951 B16R2.12192 O=CCOc1ccc(c2c1nccc2)Cl 7a_100000212186_200015260668 [1,1,0,0,0,0|1,0,0]=3 2952 B16R2.12192 O=CCOc1ccc(c2c1nccc2)F 34a_100000034212_200009817547 [1,1,0,0,0,0|1,0,0]=3 2953 B16R2.12192 O=CCOc1ccc(c2c1nccc2)F 7a_100000034212_200015260668 [1,1,0,0,0,0|1,0,0]=3 2954 B16R2.12192 O=CCOc1cnc(c2c1cccc2)Cl 34a_100000067196_200009817547 [1,1,0,0,0,0|1,0,0]=3 2955 B16R2.12192 O=CCOc1cnc(c2c1cccc2)Cl 7a_100000067196_200015260668 [1,1,0,0,0,0|1,0,0]=3 2956 B16R2.12192 O=CCSc1ccc(c2c1cccc2)Br 62a_100012339872_200015260668 [1,1,0,0,0,0|0,1,0]=3 2957 B16R2.12192 O=CCSc1ccc(c2c1cccc2)Br 62a_200015260668_100012339872 [1,1,0,0,0,0|0,1,0]=3 2958 B16R2.12192 O=CCSc1ccc(c2c1cccc2)F 62a_100011218216_200015260668 [1,1,0,0,0,0|0,1,0]=3 2959 B16R2.12192 O=CCSc1ccc(c2c1cccc2)F 62a_200015260668_100011218216 [1,1,0,0,0,0|0,1,0]=3 2960 B16R2.12192 O=CCSc1ccc(c2c1cccc2)O 62a_200015260668_100000186334 [1,1,0,0,0,0|0,1,0]=3 2961 B16R2.12192 O=CCSc1ccc(c2c1cccn2)F 62a_100010245834_200015260668 [1,1,0,0,0,0|1,1,0]=4 2962 B16R2.12192 O=CCSc1ccc(c2c1cccn2)F 62a_200015260668_100010245834 [1,1,0,0,0,0|1,1,0]=4 2963 B16R2.12192 O=CCSc1ccc(c2c1cccn2)O 62a_200015260668_100011934063 [1,1,0,0,0,0|1,1,0]=4 2964 B16R2.12192 O=CCSc1ccc(c2c1ccnc2)F 62a_100000698020_200015260668 [1,1,0,0,0,0|1,1,0]=4 2965 B16R2.12192 O=CCSc1ccc(c2c1ccnc2)F 62a_200015260668_100000698020 [1,1,0,0,0,0|1,1,0]=4 2966 B16R2.12192 O=CCSc1ccc(c2c1cncc2)F 62a_100010244717_200015260668 [1,1,0,0,0,0|1,1,0]=4 2967 B16R2.12192 O=CCSc1ccc(c2c1cncc2)F 62a_200015260668_100010244717 [1,1,0,0,0,0|1,1,0]=4 2968 B16R2.12192 O=CCSc1ccc(c2c1nccc2)F 62a_100010214461_200015260668 [1,1,0,0,0,0|1,1,0]=4 2969 B16R2.12192 O=CCSc1ccc(c2c1nccc2)F 62a_200015260668_100010214461 [1,1,0,0,0,0|1,1,0]=4 2970 B16R2.12192 O=CCSc1cnc(c2c1cccc2)O 62a_200015260668_100009816523 [1,1,0,0,0,0|1,1,0]=4 2971 B16R2.12192 O=CCSc1ncc(c2c1cccc2)O 62a_200015260668_100000067196 [1,1,0,0,0,0|1,1,0]=4 2972 B16R2.12192 OCCNc1ccc(c2c1cccc2)Br 34a_100000766797_100000211926 [1,1,0,0,0,0|1,0,1]=4 2973 B16R2.12192 OCCNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000211926 [1,1,0,0,0,0|1,0,1]=4 2974 B16R2.12192 OCCNc1ccc(c2c1cccc2)F 34a_100011988692_100000211926 [1,1,0,0,0,0|1,0,1]=4 2975 B16R2.12192 OCCNc1ccc(c2c1cccc2)O 34a_100000705857_100000211926 [1,1,0,0,0,0|1,0,1]=4 2976 B16R2.12192 OCCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000211926 [1,1,0,0,0,0|0,0,1]=3 2977 B16R2.12192 OCCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000211926 [1,1,0,0,0,0|0,0,1]=3 2978 B16R2.12192 OCCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000211926 [1,1,0,0,0,0|0,0,1]=3 2979 B16R2.12192 OCCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000211926 [1,1,0,0,0,0|0,0,1]=3 2980 B16R2.12192 OCCOc1ccc(c2c1cccc2)F 34a_100000100223_100000211926 [1,1,0,0,0,0|0,0,1]=3 2981 B16R2.12192 OCCOc1ccc(c2c1cccc2)F 7a_100000100223_100000211926 [1,1,0,0,0,0|0,0,1]=3 2982 B16R2.12192 OCCOc1ccc(c2c1nccc2)Br 34a_100011934063_100000211926 [1,1,0,0,0,0|1,0,1]=4 2983 B16R2.12192 OCCOc1ccc(c2c1nccc2)Br 7a_100011934063_100000211926 [1,1,0,0,0,0|1,0,1]=4 2984 B16R2.12192 OCCOc1ccc(c2c1nccc2)Cl 34a_100000212186_100000211926 [1,1,0,0,0,0|1,0,1]=4 2985 B16R2.12192 OCCOc1ccc(c2c1nccc2)Cl 7a_100000212186_100000211926 [1,1,0,0,0,0|1,0,1]=4 2986 B16R2.12192 OCCOc1ccc(c2c1nccc2)F 34a_100000034212_100000211926 [1,1,0,0,0,0|1,0,1]=4 2987 B16R2.12192 OCCOc1ccc(c2c1nccc2)F 7a_100000034212_100000211926 [1,1,0,0,0,0|1,0,1]=4 2988 B16R2.12192 OCCOc1cnc(c2c1cccc2)Cl 34a_100000067196_100000211926 [1,1,0,0,0,0|1,0,1]=4 2989 B16R2.12192 OCCOc1cnc(c2c1cccc2)Cl 7a_100000067196_100000211926 [1,1,0,0,0,0|1,0,1]=4 2990 B16R2.12192 OCCSc1ccc(c2c1cccc2)Br 62a_100000211926_100012339872 [1,1,0,0,0,0|0,1,1]=4 2991 B16R2.12192 OCCSc1ccc(c2c1cccc2)Br 62a_100012339872_100000211926 [1,1,0,0,0,0|0,1,1]=4 2992 B16R2.12192 OCCSc1ccc(c2c1cccc2)F 62a_100000211926_100011218216 [1,1,0,0,0,0|0,1,1]=4 2993 B16R2.12192 OCCSc1ccc(c2c1cccc2)F 62a_100011218216_100000211926 [1,1,0,0,0,0|0,1,1]=4 2994 B16R2.12192 OCCSc1ccc(c2c1cccc2)O 62a_100000211926_100000186334 [1,1,0,0,0,0|0,1,1]=4 2995 B16R2.12202 C#CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000184674 [1,1,0,0,0,0|1,0,1]=4 2996 B16R2.12202 C#CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000038162 [1,1,0,0,0,0|1,0,1]=4 2997 B16R2.12202 C=CCNc1cc(cc2c1cccc2)Br 34a_100010171453_100015514636 [1,1,0,0,0,0|2,0,0]=4 2998 B16R2.12202 C=CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100015514636 [1,1,0,0,0,0|1,0,0]=3 2999 B16R2.12202 C=CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100015514636 [1,1,0,0,0,0|1,0,0]=3 3000 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Br 34a_100010248853_100015514636 [1,1,0,0,0,0|2,0,0]=4 3001 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Br 7a_100010248853_100015514636 [1,1,0,0,0,0|2,0,0]=4 3002 B16R2.12202 C=CCOc1cc(cc2c1nccc2)C 34a_100009888445_100015514636 [1,1,0,0,0,0|2,0,0]=4 3003 B16R2.12202 C=CCOc1cc(cc2c1nccc2)C 7a_100009888445_100015514636 [1,1,0,0,0,0|2,0,0]=4 3004 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Cl 34a_200000089624_100015514636 [1,1,0,0,0,0|2,0,0]=4 3005 B16R2.12202 C=CCOc1cc(cc2c1nccc2)Cl 7a_200000089624_100015514636 [1,1,0,0,0,0|2,0,0]=4 3006 B16R2.12202 C=CCOc1cc(nc2c1cccc2)C 34a_100000698765_100015514636 [1,1,0,0,0,0|2,0,0]=4 3007 B16R2.12202 C=CCSc1cc(cc2c1cccc2)N 62a_100000210623_100010089974 [1,1,0,0,0,0|1,1,0]=4 3008 B16R2.12202 C=CCSc1cc(cc2c1cccc2)N 62a_100010089974_100000210623 [1,1,0,0,0,0|1,1,0]=4 3009 B16R2.12202 C=CCSc1cc(cc2c1cccc2)O 62a_100000210623_100010001680 [1,1,0,0,0,0|1,1,0]=4 3010 B16R2.12202 CCCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000210303 [1,1,0,0,0,0|1,0,1]=4 3011 B16R2.12202 CCCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000210303 [1,1,0,0,0,0|1,0,1]=4 3012 B16R2.12202 CSCOc1cc(cc2c1cccc2)Br 34a_100010089979_100011218213 [1,1,0,0,0,0|2,0,0]=4 3013 B16R2.12202 Cc1cc(c2ccccc2n1)OCC=O 34a_100000698765_200009817547 [1,1,0,0,0,0|1,0,0]=3 3014 B16R2.12202 Cc1cc(c2ccccc2n1)OCCO 34a_100000698765_100000211926 [1,1,0,0,0,0|1,0,1]=4 3015 B16R2.12202 Cc1cc(c2ccccc2n1)SCC=O 62a_100000764982_200015260668 [1,1,0,0,0,0|1,1,0]=4 3016 B16R2.12202 Cc1cc(c2ccccc2n1)SCC=O 62a_200015260668_100000735862 [1,1,0,0,0,0|1,1,0]=4 3017 B16R2.12202 Cc1cc(c2ncccc2c1)OCC=O 34a_100009888445_200009817547 [1,1,0,0,0,0|1,0,0]=3 3018 B16R2.12202 Cc1cc(c2ncccc2c1)OCC=O 7a_100009888445_200015260668 [1,1,0,0,0,0|1,0,0]=3 3019 B16R2.12202 Cc1cc(c2ncccc2c1)OCCO 34a_100009888445_100000211926 [1,1,0,0,0,0|1,0,1]=4 3020 B16R2.12202 Cc1cc(c2ncccc2c1)OCCO 7a_100009888445_100000211926 [1,1,0,0,0,0|1,0,1]=4 3021 B16R2.12202 Cc1cc(c2ncccc2c1)SCC=O 62a_200015260668_100010113427 [1,1,0,0,0,0|1,1,0]=4 3022 B16R2.12202 Cc1cc2ccccc2c(n1)SCC=O 62a_200015260668_100000698243 [1,1,0,0,0,0|1,1,0]=4 3023 B16R2.12202 FCCOc1cc(cc2c1cccc2)Br 34a_100010089979_100011217306 [1,1,0,0,0,0|1,0,1]=4 3024 B16R2.12202 FCCOc1cc(cc2c1cccc2)Br 7a_100010089979_100011217306 [1,1,0,0,0,0|1,0,1]=4 3025 B16R2.12202 N#CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100011215382 [1,1,0,0,0,0|1,0,1]=4 3026 B16R2.12202 Nc1cc(c2ccccc2c1)SCC=O 62a_100010089974_200015260668 [1,1,0,0,0,0|0,1,0]=3 3027 B16R2.12202 Nc1cc(c2ccccc2c1)SCC=O 62a_200015260668_100010089974 [1,1,0,0,0,0|0,1,0]=3 3028 B16R2.12202 Nc1cc(c2ccccc2c1)SCCO 62a_100000211926_100010089974 [1,1,0,0,0,0|0,1,1]=4 3029 B16R2.12202 Nc1cc(c2ccccc2c1)SCCO 62a_100010089974_100000211926 [1,1,0,0,0,0|0,1,1]=4 3030 B16R2.12202 Nc1cc2ccccc2c(n1)SCC=O 62a_100009814382_200015260668 [1,1,0,0,0,0|1,1,0]=4 3031 B16R2.12202 Nc1cc2ccccc2c(n1)SCC=O 62a_200015260668_100009814382 [1,1,0,0,0,0|1,1,0]=4 3032 B16R2.12202 O=CCNc1cc(cc2c1cccc2)Br 34a_100010171453_200009817547 [1,1,0,0,0,0|1,0,0]=3 3033 B16R2.12202 O=CCNc1cc(cc2c1nccc2)Br 34a_100009814519_200009817547 [1,1,0,0,0,0|2,0,0]=4 3034 B16R2.12202 O=CCNc1cc(cc2c1nccc2)Cl 34a_100000026717_200009817547 [1,1,0,0,0,0|2,0,0]=4 3035 B16R2.12202 O=CCNc1cc(cc2c1nccc2)F 34a_100000088212_200009817547 [1,1,0,0,0,0|2,0,0]=4 3036 B16R2.12202 O=CCNc1cc(cc2c1nccc2)O 34a_100000083691_200009817547 [1,1,0,0,0,0|2,0,0]=4 3037 B16R2.12202 O=CCOc1cc(cc2c1cccc2)Br 34a_100010089979_200009817547 [1,1,0,0,0,0|0,0,0]=2 3038 B16R2.12202 O=CCOc1cc(cc2c1cccc2)Br 7a_100010089979_200015260668 [1,1,0,0,0,0|0,0,0]=2 3039 B16R2.12202 O=CCOc1cc(cc2c1nccc2)Br 34a_100010248853_200009817547 [1,1,0,0,0,0|1,0,0]=3 3040 B16R2.12202 O=CCOc1cc(cc2c1nccc2)Br 7a_100010248853_200015260668 [1,1,0,0,0,0|1,0,0]=3 3041 B16R2.12202 O=CCOc1cc(cc2c1nccc2)Cl 34a_200000089624_200009817547 [1,1,0,0,0,0|1,0,0]=3 3042 B16R2.12202 O=CCOc1cc(cc2c1nccc2)Cl 7a_200000089624_200015260668 [1,1,0,0,0,0|1,0,0]=3 3043 B16R2.12202 O=CCSc1c[n+](cc2c1cccc2)[O-] 62a_200015260668_100009995557 [1,1,0,0,0,0|1,1,0]=4 3044 B16R2.12202 O=CCSc1cc(=O)[nH]c2c1cccc2 62a_200015260668_100000075698 [1,1,0,0,0,0|1,1,0]=4 3045 B16R2.12202 O=CCSc1cc(cc2c1cccc2)O 62a_200015260668_100010001680 [1,1,0,0,0,0|0,1,0]=3 3046 B16R2.12202 O=CCSc1cc(cc2c1cncc2)O 62a_200015260668_100011009069 [1,1,0,0,0,0|1,1,0]=4 3047 B16R2.12202 O=CCSc1cc(cc2c1nccc2)Br 62a_100010090713_200015260668 [1,1,0,0,0,0|1,1,0]=4 3048 B16R2.12202 O=CCSc1cc(cc2c1nccc2)Br 62a_200015260668_100010090713 [1,1,0,0,0,0|1,1,0]=4 3049 B16R2.12202 O=CCSc1cc(cc2c1nccc2)F 62a_100010214460_200015260668 [1,1,0,0,0,0|1,1,0]=4 3050 B16R2.12202 O=CCSc1cc(cc2c1nccc2)F 62a_200015260668_100010214460 [1,1,0,0,0,0|1,1,0]=4 3051 B16R2.12202 OCCNc1cc(cc2c1cccc2)Br 34a_100010171453_100000211926 [1,1,0,0,0,0|1,0,1]=4 3052 B16R2.12202 OCCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000211926 [1,1,0,0,0,0|0,0,1]=3 3053 B16R2.12202 OCCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000211926 [1,1,0,0,0,0|0,0,1]=3 3054 B16R2.12202 OCCOc1cc(cc2c1nccc2)Br 34a_100010248853_100000211926 [1,1,0,0,0,0|1,0,1]=4 3055 B16R2.12202 OCCOc1cc(cc2c1nccc2)Br 7a_100010248853_100000211926 [1,1,0,0,0,0|1,0,1]=4 3056 B16R2.12202 OCCOc1cc(cc2c1nccc2)Cl 34a_200000089624_100000211926 [1,1,0,0,0,0|1,0,1]=4 3057 B16R2.12202 OCCOc1cc(cc2c1nccc2)Cl 7a_200000089624_100000211926 [1,1,0,0,0,0|1,0,1]=4 3058 B16R2.12202 OCCSc1cc(cc2c1cccc2)O 62a_100000211926_100010001680 [1,1,0,0,0,0|0,1,1]=4 3059 B16R2.30013 C#CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000184674 [1,1,0,0,0,0|1,0,1]=4 3060 B16R2.30013 C#CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000038162 [1,1,0,0,0,0|1,0,1]=4 3061 B16R2.30013 C#CCOc1c(ccc2c1cccc2)C 34a_100000039261_100000184674 [1,1,0,0,0,0|1,0,1]=4 3062 B16R2.30013 C#CCOc1c(ccc2c1cccc2)C 7a_100000039261_100000038162 [1,1,0,0,0,0|1,0,1]=4 3063 B16R2.30013 C#CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000184674 [1,1,0,0,0,0|1,0,1]=4 3064 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100015514636 [1,1,0,0,0,0|2,0,0]=4 3065 B16R2.30013 C=CCNc1c(ccc2c1cccc2)C 34a_100000688109_100015514636 [1,1,0,0,0,0|2,0,0]=4 3066 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100015514636 [1,1,0,0,0,0|2,0,0]=4 3067 B16R2.30013 C=CCNc1c(ccc2c1cccc2)O 34a_100000007056_100015514636 [1,1,0,0,0,0|2,0,0]=4 3068 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100015514636 [1,1,0,0,0,0|1,0,0]=3 3069 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100015514636 [1,1,0,0,0,0|1,0,0]=3 3070 B16R2.30013 C=CCOc1c(ccc2c1cccc2)C 34a_100000039261_100015514636 [1,1,0,0,0,0|1,0,0]=3 3071 B16R2.30013 C=CCOc1c(ccc2c1cccc2)C 7a_100000039261_100015514636 [1,1,0,0,0,0|1,0,0]=3 3072 B16R2.30013 C=CCOc1c(ccc2c1cccc2)N 34a_100000007060_100015514636 [1,1,0,0,0,0|1,0,0]=3 3073 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Br 34a_100009816563_100015514636 [1,1,0,0,0,0|2,0,0]=4 3074 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100015514636 [1,1,0,0,0,0|2,0,0]=4 3075 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100015514636 [1,1,0,0,0,0|2,0,0]=4 3076 B16R2.30013 C=CCSc1c(ccc2c1cccc2)Br 62a_100000210623_100010090040 [1,1,0,0,0,0|1,1,0]=4 3077 B16R2.30013 C=CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210623 [1,1,0,0,0,0|1,1,0]=4 3078 B16R2.30013 C=CCSc1c(ccc2c1cccc2)C 62a_100000210623_100000759710 [1,1,0,0,0,0|1,1,0]=4 3079 B16R2.30013 C=CCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210623 [1,1,0,0,0,0|1,1,0]=4 3080 B16R2.30013 C=CCSc1c(ccc2c1cccc2)N 62a_100000210623_100000705303 [1,1,0,0,0,0|1,1,0]=4 3081 B16R2.30013 C=CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210623 [1,1,0,0,0,0|1,1,0]=4 3082 B16R2.30013 C=CCSc1c(ccc2c1cccc2)O 62a_100000210623_100000183829 [1,1,0,0,0,0|1,1,0]=4 3083 B16R2.30013 CCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000210303 [1,1,0,0,0,0|1,0,1]=4 3084 B16R2.30013 CCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000210303 [1,1,0,0,0,0|1,0,1]=4 3085 B16R2.30013 CCCOc1c(ccc2c1cccc2)C 34a_100000039261_100000210303 [1,1,0,0,0,0|1,0,1]=4 3086 B16R2.30013 CCCOc1c(ccc2c1cccc2)C 7a_100000039261_100000210303 [1,1,0,0,0,0|1,0,1]=4 3087 B16R2.30013 CCCOc1c(ccc2c1cccc2)N 34a_100000007060_100000210303 [1,1,0,0,0,0|1,0,1]=4 3088 B16R2.30013 CSCOc1c(ccc2c1cccc2)Br 34a_100009996032_100011218213 [1,1,0,0,0,0|2,0,0]=4 3089 B16R2.30013 CSCOc1c(ccc2c1cccc2)C 34a_100000039261_100011218213 [1,1,0,0,0,0|2,0,0]=4 3090 B16R2.30013 CSCOc1c(ccc2c1cccc2)N 34a_100000007060_100011218213 [1,1,0,0,0,0|2,0,0]=4 3091 B16R2.30013 Cc1ccc2ccccc2c1NCC=O 34a_100000688109_200009817547 [1,1,0,0,0,0|1,0,0]=3 3092 B16R2.30013 Cc1ccc2ccccc2c1NCCO 34a_100000688109_100000211926 [1,1,0,0,0,0|1,0,1]=4 3093 B16R2.30013 Cc1ccc2ccccc2c1OCC#N 7a_100000039261_100011215382 [1,1,0,0,0,0|1,0,1]=4 3094 B16R2.30013 Cc1ccc2ccccc2c1OCC=O 34a_100000039261_200009817547 [1,1,0,0,0,0|0,0,0]=2 3095 B16R2.30013 Cc1ccc2ccccc2c1OCC=O 7a_100000039261_200015260668 [1,1,0,0,0,0|0,0,0]=2 3096 B16R2.30013 Cc1ccc2ccccc2c1OCCF 34a_100000039261_100011217306 [1,1,0,0,0,0|1,0,1]=4 3097 B16R2.30013 Cc1ccc2ccccc2c1OCCF 7a_100000039261_100011217306 [1,1,0,0,0,0|1,0,1]=4 3098 B16R2.30013 Cc1ccc2ccccc2c1OCCO 34a_100000039261_100000211926 [1,1,0,0,0,0|0,0,1]=3 3099 B16R2.30013 Cc1ccc2ccccc2c1OCCO 7a_100000039261_100000211926 [1,1,0,0,0,0|0,0,1]=3 3100 B16R2.30013 Cc1ccc2ccccc2c1SCC=O 62a_100000759710_200015260668 [1,1,0,0,0,0|0,1,0]=3 3101 B16R2.30013 Cc1ccc2ccccc2c1SCC=O 62a_200015260668_100000759710 [1,1,0,0,0,0|0,1,0]=3 3102 B16R2.30013 Cc1ccc2ccccc2c1SCCO 62a_100000211926_100000759710 [1,1,0,0,0,0|0,1,1]=4 3103 B16R2.30013 Cc1ccc2ccccc2c1SCCO 62a_100000759710_100000211926 [1,1,0,0,0,0|0,1,1]=4 3104 B16R2.30013 Cc1ccc2cccnc2c1NCC=O 34a_100000065890_200009817547 [1,1,0,0,0,0|2,0,0]=4 3105 B16R2.30013 Cc1ccc2cnccc2c1SCC=O 62a_100010204589_200015260668 [1,1,0,0,0,0|1,1,0]=4 3106 B16R2.30013 Cc1ccc2cnccc2c1SCC=O 62a_200015260668_100010204589 [1,1,0,0,0,0|1,1,0]=4 3107 B16R2.30013 Cc1ccc2ncccc2c1NCC=O 34a_100011933972_200009817547 [1,1,0,0,0,0|2,0,0]=4 3108 B16R2.30013 Cc1cnc2ccccc2c1SCC=O 62a_200015260668_100000092342 [1,1,0,0,0,0|1,1,0]=4 3109 B16R2.30013 FCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100011217306 [1,1,0,0,0,0|1,0,1]=4 3110 B16R2.30013 FCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100011217306 [1,1,0,0,0,0|1,0,1]=4 3111 B16R2.30013 N#CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100011215382 [1,1,0,0,0,0|1,0,1]=4 3112 B16R2.30013 Nc1ccc2ccccc2c1OCC=O 34a_100000007060_200009817547 [1,1,0,0,0,0|0,0,0]=2 3113 B16R2.30013 Nc1ccc2ccccc2c1OCCF 34a_100000007060_100011217306 [1,1,0,0,0,0|1,0,1]=4 3114 B16R2.30013 Nc1ccc2ccccc2c1OCCO 34a_100000007060_100000211926 [1,1,0,0,0,0|0,0,1]=3 3115 B16R2.30013 Nc1ccc2ccccc2c1SCC=O 62a_100000705303_200015260668 [1,1,0,0,0,0|0,1,0]=3 3116 B16R2.30013 Nc1ccc2ccccc2c1SCC=O 62a_200015260668_100000705303 [1,1,0,0,0,0|0,1,0]=3 3117 B16R2.30013 Nc1ccc2ccccc2c1SCCO 62a_100000211926_100000705303 [1,1,0,0,0,0|0,1,1]=4 3118 B16R2.30013 Nc1ccc2ccccc2c1SCCO 62a_100000705303_100000211926 [1,1,0,0,0,0|0,1,1]=4 3119 B16R2.30013 Nc1ccc2cnccc2c1SCC=O 62a_100010245214_200015260668 [1,1,0,0,0,0|1,1,0]=4 3120 B16R2.30013 Nc1ccc2cnccc2c1SCC=O 62a_200015260668_100010245214 [1,1,0,0,0,0|1,1,0]=4 3121 B16R2.30013 Nc1ccc2ncccc2c1SCC=O 62a_200009995563_200015260668 [1,1,0,0,0,0|1,1,0]=4 3122 B16R2.30013 Nc1ccc2ncccc2c1SCC=O 62a_200015260668_200009995563 [1,1,0,0,0,0|1,1,0]=4 3123 B16R2.30013 Nc1cnc2ccccc2c1SCC=O 62a_100009995561_200015260668 [1,1,0,0,0,0|1,1,0]=4 3124 B16R2.30013 Nc1cnc2ccccc2c1SCC=O 62a_200015260668_100012243074 [1,1,0,0,0,0|1,1,0]=4 3125 B16R2.30013 Nc1ncc2ccccc2c1SCC=O 62a_100009994184_200015260668 [1,1,0,0,0,0|1,1,0]=4 3126 B16R2.30013 Nc1ncc2ccccc2c1SCC=O 62a_200015260668_100009994184 [1,1,0,0,0,0|1,1,0]=4 3127 B16R2.30013 O=CCNc1c(ccc2c1cccc2)Br 34a_100009817101_200009817547 [1,1,0,0,0,0|1,0,0]=3 3128 B16R2.30013 O=CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_200009817547 [1,1,0,0,0,0|1,0,0]=3 3129 B16R2.30013 O=CCNc1c(ccc2c1cccc2)O 34a_100000007056_200009817547 [1,1,0,0,0,0|1,0,0]=3 3130 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Br 34a_100009996032_200009817547 [1,1,0,0,0,0|0,0,0]=2 3131 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Br 7a_100009996032_200015260668 [1,1,0,0,0,0|0,0,0]=2 3132 B16R2.30013 O=CCOc1c(ccc2c1nccc2)Br 34a_100009816563_200009817547 [1,1,0,0,0,0|1,0,0]=3 3133 B16R2.30013 O=CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_200009817547 [1,1,0,0,0,0|1,0,0]=3 3134 B16R2.30013 O=CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_200015260668 [1,1,0,0,0,0|1,0,0]=3 3135 B16R2.30013 O=CCSc1c(ccc2c1cccc2)Br 62a_100010090040_200015260668 [1,1,0,0,0,0|0,1,0]=3 3136 B16R2.30013 O=CCSc1c(ccc2c1cccc2)Br 62a_200015260668_100010090040 [1,1,0,0,0,0|0,1,0]=3 3137 B16R2.30013 O=CCSc1c(ccc2c1cccc2)O 62a_200015260668_100000183829 [1,1,0,0,0,0|0,1,0]=3 3138 B16R2.30013 O=CCSc1c(ccc2c1ccnc2)F 62a_100010272212_200015260668 [1,1,0,0,0,0|1,1,0]=4 3139 B16R2.30013 O=CCSc1c(ccc2c1ccnc2)F 62a_200015260668_100010272212 [1,1,0,0,0,0|1,1,0]=4 3140 B16R2.30013 O=CCSc1c(ccc2c1cncc2)F 62a_200015260668_200015767032 [1,1,0,0,0,0|1,1,0]=4 3141 B16R2.30013 O=CCSc1c(ccc2c1cncc2)F 62a_200015767032_200015260668 [1,1,0,0,0,0|1,1,0]=4 3142 B16R2.30013 O=CCSc1c(ccc2c1cncc2)O 62a_200015260668_200010115057 [1,1,0,0,0,0|1,1,0]=4 3143 B16R2.30013 O=CCSc1c(ccc2c1nccc2)O 62a_200015260668_100010173343 [1,1,0,0,0,0|1,1,0]=4 3144 B16R2.30013 O=CCSc1c(cnc2c1cccc2)Br 62a_200010179490_200015260668 [1,1,0,0,0,0|1,1,0]=4 3145 B16R2.30013 O=CCSc1c(cnc2c1cccc2)Br 62a_200015260668_200010179490 [1,1,0,0,0,0|1,1,0]=4 3146 B16R2.30013 OCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000211926 [1,1,0,0,0,0|1,0,1]=4 3147 B16R2.30013 OCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000211926 [1,1,0,0,0,0|1,0,1]=4 3148 B16R2.30013 OCCNc1c(ccc2c1cccc2)O 34a_100000007056_100000211926 [1,1,0,0,0,0|1,0,1]=4 3149 B16R2.30013 OCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000211926 [1,1,0,0,0,0|0,0,1]=3 3150 B16R2.30013 OCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000211926 [1,1,0,0,0,0|0,0,1]=3 3151 B16R2.30013 OCCOc1c(ccc2c1nccc2)Br 34a_100009816563_100000211926 [1,1,0,0,0,0|1,0,1]=4 3152 B16R2.30013 OCCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100000211926 [1,1,0,0,0,0|1,0,1]=4 3153 B16R2.30013 OCCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100000211926 [1,1,0,0,0,0|1,0,1]=4 3154 B16R2.30013 OCCSc1c(ccc2c1cccc2)Br 62a_100000211926_100010090040 [1,1,0,0,0,0|0,1,1]=4 3155 B16R2.30013 OCCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000211926 [1,1,0,0,0,0|0,1,1]=4 3156 B16R2.30013 OCCSc1c(ccc2c1cccc2)O 62a_100000211926_100000183829 [1,1,0,0,0,0|0,1,1]=4 3157 B16R2.32089 C#CCOc1cccc2c1c(ccc2)Br 34a_100010089961_100000184674 [1,1,0,0,0,0|1,0,1]=4 3158 B16R2.32089 C#CCOc1cccc2c1c(ccc2)Br 7a_100010089961_100000038162 [1,1,0,0,0,0|1,0,1]=4 3159 B16R2.32089 C=CCNc1cccc2c1c(ccc2)Br 34a_100010002837_100015514636 [1,1,0,0,0,0|2,0,0]=4 3160 B16R2.32089 C=CCNc1cccc2c1c(ccc2)C 34a_100009841044_100015514636 [1,1,0,0,0,0|2,0,0]=4 3161 B16R2.32089 C=CCNc1cccc2c1c(ccc2)C 7a_100009841044_100015514636 [1,1,0,0,0,0|2,0,0]=4 3162 B16R2.32089 C=CCNc1cccc2c1c(ccc2)Cl 34a_100009857565_100015514636 [1,1,0,0,0,0|2,0,0]=4 3163 B16R2.32089 C=CCNc1cccc2c1c(ccc2)F 34a_100009878580_100015514636 [1,1,0,0,0,0|2,0,0]=4 3164 B16R2.32089 C=CCNc1cccc2c1c(ccc2)F 7a_100009878580_100015514636 [1,1,0,0,0,0|2,0,0]=4 3165 B16R2.32089 C=CCOc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100015514636 [1,1,0,0,0,0|2,0,0]=4 3166 B16R2.32089 C=CCOc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100015514636 [1,1,0,0,0,0|2,0,0]=4 3167 B16R2.32089 C=CCOc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100015514636 [1,1,0,0,0,0|2,0,0]=4 3168 B16R2.32089 C=CCOc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100015514636 [1,1,0,0,0,0|2,0,0]=4 3169 B16R2.32089 C=CCOc1cccc2c1c(=O)cco2 34a_100000040341_100015514636 [1,1,0,0,0,0|2,0,0]=4 3170 B16R2.32089 C=CCOc1cccc2c1c(=O)cco2 7a_100000040341_100015514636 [1,1,0,0,0,0|2,0,0]=4 3171 B16R2.32089 C=CCOc1cccc2c1c(ccc2)Br 34a_100010089961_100015514636 [1,1,0,0,0,0|1,0,0]=3 3172 B16R2.32089 C=CCOc1cccc2c1c(ccc2)Br 7a_100010089961_100015514636 [1,1,0,0,0,0|1,0,0]=3 3173 B16R2.32089 C=CCOc1ccnc2c1c(ccc2)Br 34a_100010187735_100015514636 [1,1,0,0,0,0|2,0,0]=4 3174 B16R2.32089 C=CCOc1ccnc2c1c(ccc2)C 34a_100000087318_100015514636 [1,1,0,0,0,0|2,0,0]=4 3175 B16R2.32089 C=CCOc1nccc2c1c(ccc2)Br 34a_100010162479_100015514636 [1,1,0,0,0,0|2,0,0]=4 3176 B16R2.32089 C=CCOc1nccc2c1c(ccc2)Cl 34a_200010297299_100015514636 [1,1,0,0,0,0|2,0,0]=4 3177 B16R2.32089 C=CCSc1cccc2c1c(ccc2)Br 62a_100000210623_100010243825 [1,1,0,0,0,0|1,1,0]=4 3178 B16R2.32089 C=CCSc1cccc2c1c(ccc2)Br 62a_100010243825_100000210623 [1,1,0,0,0,0|1,1,0]=4 3179 B16R2.32089 C=CCSc1cccc2c1c(ccc2)C 62a_100000210623_100009995290 [1,1,0,0,0,0|1,1,0]=4 3180 B16R2.32089 C=CCSc1cccc2c1c(ccc2)F 62a_100000210623_100010177852 [1,1,0,0,0,0|1,1,0]=4 3181 B16R2.32089 C=CCSc1cccc2c1c(ccc2)F 62a_100010177852_100000210623 [1,1,0,0,0,0|1,1,0]=4 3182 B16R2.32089 C=CCSc1cccc2c1c(ccc2)N 62a_100010002837_100000210623 [1,1,0,0,0,0|1,1,0]=4 3183 B16R2.32089 C=CCSc1cccc2c1c(ccc2)O 62a_100000210623_100010089961 [1,1,0,0,0,0|1,1,0]=4 3184 B16R2.32089 CCCOc1cccc2c1c(ccc2)Br 34a_100010089961_100000210303 [1,1,0,0,0,0|1,0,1]=4 3185 B16R2.32089 CCCOc1cccc2c1c(ccc2)Br 7a_100010089961_100000210303 [1,1,0,0,0,0|1,0,1]=4 3186 B16R2.32089 CSCOc1cccc2c1c(ccc2)Br 34a_100010089961_100011218213 [1,1,0,0,0,0|2,0,0]=4 3187 B16R2.32089 Cc1cccc2c1c(ccc2)NCC=O 34a_100009841044_200009817547 [1,1,0,0,0,0|1,0,0]=3 3188 B16R2.32089 Cc1cccc2c1c(ccc2)NCC=O 7a_100009841044_200015260668 [1,1,0,0,0,0|1,0,0]=3 3189 B16R2.32089 Cc1cccc2c1c(ccc2)NCCO 34a_100009841044_100000211926 [1,1,0,0,0,0|1,0,1]=4 3190 B16R2.32089 Cc1cccc2c1c(ccc2)NCCO 7a_100009841044_100000211926 [1,1,0,0,0,0|1,0,1]=4 3191 B16R2.32089 Cc1cccc2c1c(ccc2)SCC=O 62a_200015260668_100009995290 [1,1,0,0,0,0|0,1,0]=3 3192 B16R2.32089 Cc1cccc2c1c(ccc2)SCCO 62a_100000211926_100009995290 [1,1,0,0,0,0|0,1,1]=4 3193 B16R2.32089 Cc1cccc2c1c(ccn2)OCC=O 34a_100000087318_200009817547 [1,1,0,0,0,0|1,0,0]=3 3194 B16R2.32089 Cc1cccc2c1c(ccn2)OCCO 34a_100000087318_100000211926 [1,1,0,0,0,0|1,0,1]=4 3195 B16R2.32089 Cc1cncc2c1c(ccc2)NCC=O 34a_100009845824_200009817547 [1,1,0,0,0,0|2,0,0]=4 3196 B16R2.32089 Cc1cncc2c1c(ccc2)SCC=O 62a_200015260668_100009817140 [1,1,0,0,0,0|1,1,0]=4 3197 B16R2.32089 FCCOc1cccc2c1c(ccc2)Br 34a_100010089961_100011217306 [1,1,0,0,0,0|1,0,1]=4 3198 B16R2.32089 FCCOc1cccc2c1c(ccc2)Br 7a_100010089961_100011217306 [1,1,0,0,0,0|1,0,1]=4 3199 B16R2.32089 N#CCOc1cccc2c1c(ccc2)Br 7a_100010089961_100011215382 [1,1,0,0,0,0|1,0,1]=4 3200 B16R2.32089 Nc1cccc2c1c(ccc2)SCC=O 62a_100010002837_200015260668 [1,1,0,0,0,0|0,1,0]=3 3201 B16R2.32089 Nc1cccc2c1c(ccc2)SCCO 62a_100010002837_100000211926 [1,1,0,0,0,0|0,1,1]=4 3202 B16R2.32089 Nc1cccc2c1c(cnc2)SCC=O 62a_100000720362_200015260668 [1,1,0,0,0,0|1,1,0]=4 3203 B16R2.32089 Nc1cccc2c1c(cnc2)SCC=O 62a_200015260668_100000720362 [1,1,0,0,0,0|1,1,0]=4 3204 B16R2.32089 Nc1nccc2c1c(ccc2)SCC=O 62a_100010291105_200015260668 [1,1,0,0,0,0|1,1,0]=4 3205 B16R2.32089 O=CCNc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_200009817547 [1,1,0,0,0,0|2,0,0]=4 3206 B16R2.32089 O=CCNc1cccc2c1c(ccc2)Br 34a_100010002837_200009817547 [1,1,0,0,0,0|1,0,0]=3 3207 B16R2.32089 O=CCNc1cccc2c1c(ccc2)Cl 34a_100009857565_200009817547 [1,1,0,0,0,0|1,0,0]=3 3208 B16R2.32089 O=CCNc1cccc2c1c(ccc2)F 34a_100009878580_200009817547 [1,1,0,0,0,0|1,0,0]=3 3209 B16R2.32089 O=CCNc1cccc2c1c(ccc2)F 7a_100009878580_200015260668 [1,1,0,0,0,0|1,0,0]=3 3210 B16R2.32089 O=CCNc1cccc2c1c(ccn2)Cl 34a_100010263589_200009817547 [1,1,0,0,0,0|2,0,0]=4 3211 B16R2.32089 O=CCNc1cccc2c1c(cnc2)Br 34a_100000720362_200009817547 [1,1,0,0,0,0|2,0,0]=4 3212 B16R2.32089 O=CCOc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_200009817547 [1,1,0,0,0,0|1,0,0]=3 3213 B16R2.32089 O=CCOc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_200015260668 [1,1,0,0,0,0|1,0,0]=3 3214 B16R2.32089 O=CCOc1cccc2c1c(=O)[nH]cc2 34a_200010358299_200009817547 [1,1,0,0,0,0|1,0,0]=3 3215 B16R2.32089 O=CCOc1cccc2c1c(=O)[nH]cc2 7a_200010358299_200015260668 [1,1,0,0,0,0|1,0,0]=3 3216 B16R2.32089 O=CCOc1cccc2c1c(=O)cco2 34a_100000040341_200009817547 [1,1,0,0,0,0|1,0,0]=3 3217 B16R2.32089 O=CCOc1cccc2c1c(=O)cco2 7a_100000040341_200015260668 [1,1,0,0,0,0|1,0,0]=3 3218 B16R2.32089 O=CCOc1cccc2c1c(ccc2)Br 34a_100010089961_200009817547 [1,1,0,0,0,0|0,0,0]=2 3219 B16R2.32089 O=CCOc1cccc2c1c(ccc2)Br 7a_100010089961_200015260668 [1,1,0,0,0,0|0,0,0]=2 3220 B16R2.32089 O=CCOc1ccnc2c1c(ccc2)Br 34a_100010187735_200009817547 [1,1,0,0,0,0|1,0,0]=3 3221 B16R2.32089 O=CCOc1nccc2c1c(ccc2)Br 34a_100010162479_200009817547 [1,1,0,0,0,0|1,0,0]=3 3222 B16R2.32089 O=CCOc1nccc2c1c(ccc2)Cl 34a_200010297299_200009817547 [1,1,0,0,0,0|1,0,0]=3 3223 B16R2.32089 O=CCOc1ncnc2c1c(ccc2)F 34a_100000743385_200009817547 [1,1,0,0,0,0|2,0,0]=4 3224 B16R2.32089 O=CCSc1cccc2c1c(ccc2)Br 62a_100010243825_200015260668 [1,1,0,0,0,0|0,1,0]=3 3225 B16R2.32089 O=CCSc1cccc2c1c(ccc2)Br 62a_200015260668_100010243825 [1,1,0,0,0,0|0,1,0]=3 3226 B16R2.32089 O=CCSc1cccc2c1c(ccc2)F 62a_100010177852_200015260668 [1,1,0,0,0,0|0,1,0]=3 3227 B16R2.32089 O=CCSc1cccc2c1c(ccc2)F 62a_200015260668_100010177852 [1,1,0,0,0,0|0,1,0]=3 3228 B16R2.32089 O=CCSc1cccc2c1c(ccc2)O 62a_200015260668_100010089961 [1,1,0,0,0,0|0,1,0]=3 3229 B16R2.32089 O=CCSc1cccc2c1c(ncc2)O 62a_200015260668_100010162479 [1,1,0,0,0,0|1,1,0]=4 3230 B16R2.32089 O=c1[nH]ccc2c1c(ccc2)OCCO 34a_200010358299_100000211926 [1,1,0,0,0,0|1,0,1]=4 3231 B16R2.32089 O=c1[nH]ccc2c1c(ccc2)OCCO 7a_200010358299_100000211926 [1,1,0,0,0,0|1,0,1]=4 3232 B16R2.32089 O=c1ccoc2c1c(ccc2)OCCO 34a_100000040341_100000211926 [1,1,0,0,0,0|1,0,1]=4 3233 B16R2.32089 O=c1ccoc2c1c(ccc2)OCCO 7a_100000040341_100000211926 [1,1,0,0,0,0|1,0,1]=4 3234 B16R2.32089 OCCNc1cccc2c1c(ccc2)Br 34a_100010002837_100000211926 [1,1,0,0,0,0|1,0,1]=4 3235 B16R2.32089 OCCNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000211926 [1,1,0,0,0,0|1,0,1]=4 3236 B16R2.32089 OCCNc1cccc2c1c(ccc2)F 34a_100009878580_100000211926 [1,1,0,0,0,0|1,0,1]=4 3237 B16R2.32089 OCCNc1cccc2c1c(ccc2)F 7a_100009878580_100000211926 [1,1,0,0,0,0|1,0,1]=4 3238 B16R2.32089 OCCOc1cccc2c1c(ccc2)Br 34a_100010089961_100000211926 [1,1,0,0,0,0|0,0,1]=3 3239 B16R2.32089 OCCOc1cccc2c1c(ccc2)Br 7a_100010089961_100000211926 [1,1,0,0,0,0|0,0,1]=3 3240 B16R2.32089 OCCOc1ccnc2c1c(ccc2)Br 34a_100010187735_100000211926 [1,1,0,0,0,0|1,0,1]=4 3241 B16R2.32089 OCCOc1nccc2c1c(ccc2)Br 34a_100010162479_100000211926 [1,1,0,0,0,0|1,0,1]=4 3242 B16R2.32089 OCCOc1nccc2c1c(ccc2)Cl 34a_200010297299_100000211926 [1,1,0,0,0,0|1,0,1]=4 3243 B16R2.32089 OCCSc1cccc2c1c(ccc2)Br 62a_100000211926_100010243825 [1,1,0,0,0,0|0,1,1]=4 3244 B16R2.32089 OCCSc1cccc2c1c(ccc2)Br 62a_100010243825_100000211926 [1,1,0,0,0,0|0,1,1]=4 3245 B16R2.32089 OCCSc1cccc2c1c(ccc2)F 62a_100000211926_100010177852 [1,1,0,0,0,0|0,1,1]=4 3246 B16R2.32089 OCCSc1cccc2c1c(ccc2)F 62a_100010177852_100000211926 [1,1,0,0,0,0|0,1,1]=4 3247 B16R2.32089 OCCSc1cccc2c1c(ccc2)O 62a_100000211926_100010089961 [1,1,0,0,0,0|0,1,1]=4 3248 B16R2.32089 [O-][n+]1cccc2c1c(ccc2)OCCO 34a_100000039631_100000211926 [1,1,0,0,0,0|1,0,1]=4 3249 B16R2.32089 [O-][n+]1cccc2c1c(ccc2)OCCO 7a_100000039631_100000211926 [1,1,0,0,0,0|1,0,1]=4 3250 B16R2.32142 C#CCOc1cccc2c1cc(cc2)Br 34a_100010089991_100000184674 [1,1,0,0,0,0|1,0,1]=4 3251 B16R2.32142 C#CCOc1cccc2c1cc(cc2)Br 7a_100010089991_100000038162 [1,1,0,0,0,0|1,0,1]=4 3252 B16R2.32142 C#CCOc1cccc2c1cc(cc2)C 34a_100000040781_100000184674 [1,1,0,0,0,0|1,0,1]=4 3253 B16R2.32142 C#CCOc1cccc2c1cc(cc2)C 7a_100000040781_100000038162 [1,1,0,0,0,0|1,0,1]=4 3254 B16R2.32142 C#CCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100000184674 [1,1,0,0,0,0|1,0,1]=4 3255 B16R2.32142 C#CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100000038162 [1,1,0,0,0,0|1,0,1]=4 3256 B16R2.32142 C#CCOc1cccc2c1cc(cc2)F 34a_100009881884_100000184674 [1,1,0,0,0,0|1,0,1]=4 3257 B16R2.32142 C#CCOc1cccc2c1cc(cc2)F 7a_100009881884_100000038162 [1,1,0,0,0,0|1,0,1]=4 3258 B16R2.32142 C#CCOc1cccc2c1cc(cc2)N 34a_100132313934_100000184674 [1,1,0,0,0,0|1,0,1]=4 3259 B16R2.32142 C#CCOc1cccc2c1cc(cc2)N 7a_100132313934_100000038162 [1,1,0,0,0,0|1,0,1]=4 3260 B16R2.32142 C=CCNc1cccc2c1cc(cc2)Br 34a_100010090012_100015514636 [1,1,0,0,0,0|2,0,0]=4 3261 B16R2.32142 C=CCNc1cccc2c1cc(cc2)O 34a_100000034012_100015514636 [1,1,0,0,0,0|2,0,0]=4 3262 B16R2.32142 C=CCOc1cccc2c1cc(cc2)Br 34a_100010089991_100015514636 [1,1,0,0,0,0|1,0,0]=3 3263 B16R2.32142 C=CCOc1cccc2c1cc(cc2)Br 7a_100010089991_100015514636 [1,1,0,0,0,0|1,0,0]=3 3264 B16R2.32142 C=CCOc1cccc2c1cc(cc2)C 34a_100000040781_100015514636 [1,1,0,0,0,0|1,0,0]=3 3265 B16R2.32142 C=CCOc1cccc2c1cc(cc2)C 7a_100000040781_100015514636 [1,1,0,0,0,0|1,0,0]=3 3266 B16R2.32142 C=CCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100015514636 [1,1,0,0,0,0|1,0,0]=3 3267 B16R2.32142 C=CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100015514636 [1,1,0,0,0,0|1,0,0]=3 3268 B16R2.32142 C=CCOc1cccc2c1cc(cc2)F 34a_100009881884_100015514636 [1,1,0,0,0,0|1,0,0]=3 3269 B16R2.32142 C=CCOc1cccc2c1cc(cc2)F 7a_100009881884_100015514636 [1,1,0,0,0,0|1,0,0]=3 3270 B16R2.32142 C=CCOc1cccc2c1cc(cc2)N 34a_100132313934_100015514636 [1,1,0,0,0,0|1,0,0]=3 3271 B16R2.32142 C=CCOc1cccc2c1cc(cc2)N 7a_100132313934_100015514636 [1,1,0,0,0,0|1,0,0]=3 3272 B16R2.32142 C=CCOc1cccc2c1cc(cn2)Br 34a_200010153752_100015514636 [1,1,0,0,0,0|2,0,0]=4 3273 B16R2.32142 C=CCOc1cccc2c1cc(cn2)Br 7a_200010153752_100015514636 [1,1,0,0,0,0|2,0,0]=4 3274 B16R2.32142 C=CCOc1cccc2c1cc(cn2)N 34a_100009853962_100015514636 [1,1,0,0,0,0|2,0,0]=4 3275 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Br 34a_100010153751_100015514636 [1,1,0,0,0,0|2,0,0]=4 3276 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Br 7a_100010153751_100015514636 [1,1,0,0,0,0|2,0,0]=4 3277 B16R2.32142 C=CCOc1cccc2c1nc(cc2)C 34a_100000184714_100015514636 [1,1,0,0,0,0|2,0,0]=4 3278 B16R2.32142 C=CCOc1cccc2c1nc(cc2)C 7a_100000184714_100015514636 [1,1,0,0,0,0|2,0,0]=4 3279 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Cl 34a_100000013812_100015514636 [1,1,0,0,0,0|2,0,0]=4 3280 B16R2.32142 C=CCOc1cccc2c1nc(cc2)Cl 7a_100000013812_100015514636 [1,1,0,0,0,0|2,0,0]=4 3281 B16R2.32142 C=CCOc1cccc2c1nc(cc2)N 34a_100000032106_100015514636 [1,1,0,0,0,0|2,0,0]=4 3282 B16R2.32142 C=CCOc1cccc2c1nc(cc2)N 7a_100000032106_100015514636 [1,1,0,0,0,0|2,0,0]=4 3283 B16R2.32142 C=CCOc1ccnc2c1cc(cc2)C 34a_200011310529_100015514636 [1,1,0,0,0,0|2,0,0]=4 3284 B16R2.32142 C=CCOc1ccnc2c1cc(cc2)F 34a_100000004104_100015514636 [1,1,0,0,0,0|2,0,0]=4 3285 B16R2.32142 C=CCOc1cncc2c1cc(cc2)Br 34a_100010136424_100015514636 [1,1,0,0,0,0|2,0,0]=4 3286 B16R2.32142 C=CCOc1cncc2c1cc(cc2)Br 7a_100010136424_100015514636 [1,1,0,0,0,0|2,0,0]=4 3287 B16R2.32142 C=CCOc1nccc2c1cc(cc2)Br 34a_100000010956_100015514636 [1,1,0,0,0,0|2,0,0]=4 3288 B16R2.32142 C=CCOc1nccc2c1cc(cc2)Cl 34a_100000005406_100015514636 [1,1,0,0,0,0|2,0,0]=4 3289 B16R2.32142 C=CCSc1cccc2c1cc(cc2)O 62a_100000210623_100010169565 [1,1,0,0,0,0|1,1,0]=4 3290 B16R2.32142 CCCOc1cccc2c1cc(cc2)Br 34a_100010089991_100000210303 [1,1,0,0,0,0|1,0,1]=4 3291 B16R2.32142 CCCOc1cccc2c1cc(cc2)Br 7a_100010089991_100000210303 [1,1,0,0,0,0|1,0,1]=4 3292 B16R2.32142 CCCOc1cccc2c1cc(cc2)C 34a_100000040781_100000210303 [1,1,0,0,0,0|1,0,1]=4 3293 B16R2.32142 CCCOc1cccc2c1cc(cc2)C 7a_100000040781_100000210303 [1,1,0,0,0,0|1,0,1]=4 3294 B16R2.32142 CCCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100000210303 [1,1,0,0,0,0|1,0,1]=4 3295 B16R2.32142 CCCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100000210303 [1,1,0,0,0,0|1,0,1]=4 3296 B16R2.32142 CCCOc1cccc2c1cc(cc2)F 34a_100009881884_100000210303 [1,1,0,0,0,0|1,0,1]=4 3297 B16R2.32142 CCCOc1cccc2c1cc(cc2)F 7a_100009881884_100000210303 [1,1,0,0,0,0|1,0,1]=4 3298 B16R2.32142 CCCOc1cccc2c1cc(cc2)N 34a_100132313934_100000210303 [1,1,0,0,0,0|1,0,1]=4 3299 B16R2.32142 CCCOc1cccc2c1cc(cc2)N 7a_100132313934_100000210303 [1,1,0,0,0,0|1,0,1]=4 3300 B16R2.32142 CSCOc1cccc2c1cc(cc2)Br 34a_100010089991_100011218213 [1,1,0,0,0,0|2,0,0]=4 3301 B16R2.32142 CSCOc1cccc2c1cc(cc2)C 34a_100000040781_100011218213 [1,1,0,0,0,0|2,0,0]=4 3302 B16R2.32142 CSCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100011218213 [1,1,0,0,0,0|2,0,0]=4 3303 B16R2.32142 CSCOc1cccc2c1cc(cc2)F 34a_100009881884_100011218213 [1,1,0,0,0,0|2,0,0]=4 3304 B16R2.32142 CSCOc1cccc2c1cc(cc2)N 34a_100132313934_100011218213 [1,1,0,0,0,0|2,0,0]=4 3305 B16R2.32142 Cc1ccc2cccc(c2c1)OCC#N 7a_100000040781_100011215382 [1,1,0,0,0,0|1,0,1]=4 3306 B16R2.32142 Cc1ccc2cccc(c2c1)OCC=O 34a_100000040781_200009817547 [1,1,0,0,0,0|0,0,0]=2 3307 B16R2.32142 Cc1ccc2cccc(c2c1)OCC=O 7a_100000040781_200015260668 [1,1,0,0,0,0|0,0,0]=2 3308 B16R2.32142 Cc1ccc2cccc(c2c1)OCCF 34a_100000040781_100011217306 [1,1,0,0,0,0|1,0,1]=4 3309 B16R2.32142 Cc1ccc2cccc(c2c1)OCCF 7a_100000040781_100011217306 [1,1,0,0,0,0|1,0,1]=4 3310 B16R2.32142 Cc1ccc2cccc(c2c1)OCCO 34a_100000040781_100000211926 [1,1,0,0,0,0|0,0,1]=3 3311 B16R2.32142 Cc1ccc2cccc(c2c1)OCCO 7a_100000040781_100000211926 [1,1,0,0,0,0|0,0,1]=3 3312 B16R2.32142 Cc1ccc2cccc(c2n1)NCC=O 34a_100000019871_200009817547 [1,1,0,0,0,0|2,0,0]=4 3313 B16R2.32142 Cc1ccc2cccc(c2n1)OCC=O 34a_100000184714_200009817547 [1,1,0,0,0,0|1,0,0]=3 3314 B16R2.32142 Cc1ccc2cccc(c2n1)OCC=O 7a_100000184714_200015260668 [1,1,0,0,0,0|1,0,0]=3 3315 B16R2.32142 Cc1ccc2cccc(c2n1)OCCO 34a_100000184714_100000211926 [1,1,0,0,0,0|1,0,1]=4 3316 B16R2.32142 Cc1ccc2cccc(c2n1)OCCO 7a_100000184714_100000211926 [1,1,0,0,0,0|1,0,1]=4 3317 B16R2.32142 Cc1ccc2cccc(c2n1)SCC=O 62a_200015260668_100011934484 [1,1,0,0,0,0|1,1,0]=4 3318 B16R2.32142 Cc1ccc2cncc(c2c1)SCC=O 62a_200015260668_100009817139 [1,1,0,0,0,0|1,1,0]=4 3319 B16R2.32142 Cc1ccc2nccc(c2c1)OCC=O 34a_200011310529_200009817547 [1,1,0,0,0,0|1,0,0]=3 3320 B16R2.32142 Cc1ccc2nccc(c2c1)OCCO 34a_200011310529_100000211926 [1,1,0,0,0,0|1,0,1]=4 3321 B16R2.32142 Cc1ccc2nccc(c2c1)SCC=O 62a_200015260668_100000751279 [1,1,0,0,0,0|1,1,0]=4 3322 B16R2.32142 FCCOc1cccc2c1cc(cc2)Br 34a_100010089991_100011217306 [1,1,0,0,0,0|1,0,1]=4 3323 B16R2.32142 FCCOc1cccc2c1cc(cc2)Br 7a_100010089991_100011217306 [1,1,0,0,0,0|1,0,1]=4 3324 B16R2.32142 FCCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100011217306 [1,1,0,0,0,0|1,0,1]=4 3325 B16R2.32142 FCCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100011217306 [1,1,0,0,0,0|1,0,1]=4 3326 B16R2.32142 FCCOc1cccc2c1cc(cc2)F 34a_100009881884_100011217306 [1,1,0,0,0,0|1,0,1]=4 3327 B16R2.32142 FCCOc1cccc2c1cc(cc2)F 7a_100009881884_100011217306 [1,1,0,0,0,0|1,0,1]=4 3328 B16R2.32142 N#CCOc1cccc2c1cc(cc2)Br 7a_100010089991_100011215382 [1,1,0,0,0,0|1,0,1]=4 3329 B16R2.32142 N#CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100011215382 [1,1,0,0,0,0|1,0,1]=4 3330 B16R2.32142 N#CCOc1cccc2c1cc(cc2)F 7a_100009881884_100011215382 [1,1,0,0,0,0|1,0,1]=4 3331 B16R2.32142 N#CCOc1cccc2c1cc(cc2)N 7a_100132313934_100011215382 [1,1,0,0,0,0|1,0,1]=4 3332 B16R2.32142 Nc1ccc2cccc(c2c1)OCC=O 34a_100132313934_200009817547 [1,1,0,0,0,0|0,0,0]=2 3333 B16R2.32142 Nc1ccc2cccc(c2c1)OCC=O 7a_100132313934_200015260668 [1,1,0,0,0,0|0,0,0]=2 3334 B16R2.32142 Nc1ccc2cccc(c2c1)OCCF 34a_100132313934_100011217306 [1,1,0,0,0,0|1,0,1]=4 3335 B16R2.32142 Nc1ccc2cccc(c2c1)OCCF 7a_100132313934_100011217306 [1,1,0,0,0,0|1,0,1]=4 3336 B16R2.32142 Nc1ccc2cccc(c2c1)OCCO 34a_100132313934_100000211926 [1,1,0,0,0,0|0,0,1]=3 3337 B16R2.32142 Nc1ccc2cccc(c2c1)OCCO 7a_100132313934_100000211926 [1,1,0,0,0,0|0,0,1]=3 3338 B16R2.32142 Nc1ccc2cccc(c2n1)OCC=O 34a_100000032106_200009817547 [1,1,0,0,0,0|1,0,0]=3 3339 B16R2.32142 Nc1ccc2cccc(c2n1)OCC=O 7a_100000032106_200015260668 [1,1,0,0,0,0|1,0,0]=3 3340 B16R2.32142 Nc1ccc2cccc(c2n1)OCCO 34a_100000032106_100000211926 [1,1,0,0,0,0|1,0,1]=4 3341 B16R2.32142 Nc1ccc2cccc(c2n1)OCCO 7a_100000032106_100000211926 [1,1,0,0,0,0|1,0,1]=4 3342 B16R2.32142 Nc1ccc2cccc(c2n1)SCC=O 62a_100000687151_200015260668 [1,1,0,0,0,0|1,1,0]=4 3343 B16R2.32142 Nc1ccc2nccc(c2c1)SCC=O 62a_100010074812_200015260668 [1,1,0,0,0,0|1,1,0]=4 3344 B16R2.32142 Nc1ccc2nccc(c2c1)SCC=O 62a_200015260668_100009879071 [1,1,0,0,0,0|1,1,0]=4 3345 B16R2.32142 Nc1cnc2cccc(c2c1)OCC=O 34a_100009853962_200009817547 [1,1,0,0,0,0|1,0,0]=3 3346 B16R2.32142 Nc1cnc2cccc(c2c1)OCCO 34a_100009853962_100000211926 [1,1,0,0,0,0|1,0,1]=4 3347 B16R2.32142 O=CCNc1cccc2c1cc(cc2)Br 34a_100010090012_200009817547 [1,1,0,0,0,0|1,0,0]=3 3348 B16R2.32142 O=CCNc1cccc2c1cc(cc2)O 34a_100000034012_200009817547 [1,1,0,0,0,0|1,0,0]=3 3349 B16R2.32142 O=CCNc1cccc2c1cc(cn2)Br 34a_100010264086_200009817547 [1,1,0,0,0,0|2,0,0]=4 3350 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Br 34a_100010089991_200009817547 [1,1,0,0,0,0|0,0,0]=2 3351 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Br 7a_100010089991_200015260668 [1,1,0,0,0,0|0,0,0]=2 3352 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Cl 34a_100009840344_200009817547 [1,1,0,0,0,0|0,0,0]=2 3353 B16R2.32142 O=CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_200015260668 [1,1,0,0,0,0|0,0,0]=2 3354 B16R2.32142 O=CCOc1cccc2c1cc(cc2)F 34a_100009881884_200009817547 [1,1,0,0,0,0|0,0,0]=2 3355 B16R2.32142 O=CCOc1cccc2c1cc(cc2)F 7a_100009881884_200015260668 [1,1,0,0,0,0|0,0,0]=2 3356 B16R2.32142 O=CCOc1cccc2c1cc(cn2)Br 34a_200010153752_200009817547 [1,1,0,0,0,0|1,0,0]=3 3357 B16R2.32142 O=CCOc1cccc2c1cc(cn2)Br 7a_200010153752_200015260668 [1,1,0,0,0,0|1,0,0]=3 3358 B16R2.32142 O=CCOc1cccc2c1nc(cc2)Br 34a_100010153751_200009817547 [1,1,0,0,0,0|1,0,0]=3 3359 B16R2.32142 O=CCOc1cccc2c1nc(cc2)Br 7a_100010153751_200015260668 [1,1,0,0,0,0|1,0,0]=3 3360 B16R2.32142 O=CCOc1cccc2c1nc(cc2)Cl 34a_100000013812_200009817547 [1,1,0,0,0,0|1,0,0]=3 3361 B16R2.32142 O=CCOc1cccc2c1nc(cc2)Cl 7a_100000013812_200015260668 [1,1,0,0,0,0|1,0,0]=3 3362 B16R2.32142 O=CCOc1cccc2c1nc(nc2)Cl 34a_100010674811_200009817547 [1,1,0,0,0,0|2,0,0]=4 3363 B16R2.32142 O=CCOc1cccc2c1nc(nc2)Cl 7a_100010674811_200015260668 [1,1,0,0,0,0|2,0,0]=4 3364 B16R2.32142 O=CCOc1ccnc2c1cc(cc2)F 34a_100000004104_200009817547 [1,1,0,0,0,0|1,0,0]=3 3365 B16R2.32142 O=CCOc1cncc2c1cc(cc2)Br 34a_100010136424_200009817547 [1,1,0,0,0,0|1,0,0]=3 3366 B16R2.32142 O=CCOc1cncc2c1cc(cc2)Br 7a_100010136424_200015260668 [1,1,0,0,0,0|1,0,0]=3 3367 B16R2.32142 O=CCOc1nccc2c1cc(cc2)Br 34a_100000010956_200009817547 [1,1,0,0,0,0|1,0,0]=3 3368 B16R2.32142 O=CCOc1nccc2c1cc(cc2)Cl 34a_100000005406_200009817547 [1,1,0,0,0,0|1,0,0]=3 3369 B16R2.32142 O=CCSc1cccc2c1[nH]c(=O)cc2 62a_200015260668_100000688906 [1,1,0,0,0,0|1,1,0]=4 3370 B16R2.32142 O=CCSc1cccc2c1cc(cc2)O 62a_200015260668_100010169565 [1,1,0,0,0,0|0,1,0]=3 3371 B16R2.32142 O=CCSc1cccc2c1nc(cc2)Cl 62a_200015260668_100012034269 [1,1,0,0,0,0|1,1,0]=4 3372 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)Br 62a_100010189052_200015260668 [1,1,0,0,0,0|1,1,0]=4 3373 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)Br 62a_200015260668_100010189052 [1,1,0,0,0,0|1,1,0]=4 3374 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)F 62a_100011217270_200015260668 [1,1,0,0,0,0|1,1,0]=4 3375 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)F 62a_200015260668_100011217270 [1,1,0,0,0,0|1,1,0]=4 3376 B16R2.32142 O=CCSc1ccnc2c1cc(cc2)O 62a_200015260668_100000075933 [1,1,0,0,0,0|1,1,0]=4 3377 B16R2.32142 O=CCSc1nccc2c1cc(cc2)F 62a_100010202866_200015260668 [1,1,0,0,0,0|1,1,0]=4 3378 B16R2.32142 O=CCSc1nccc2c1cc(cc2)F 62a_200015260668_100010202866 [1,1,0,0,0,0|1,1,0]=4 3379 B16R2.32142 O=CCSc1nccc2c1cc(cc2)O 62a_200015260668_200009844553 [1,1,0,0,0,0|1,1,0]=4 3380 B16R2.32142 OCCNc1cccc2c1cc(cc2)Br 34a_100010090012_100000211926 [1,1,0,0,0,0|1,0,1]=4 3381 B16R2.32142 OCCNc1cccc2c1cc(cc2)O 34a_100000034012_100000211926 [1,1,0,0,0,0|1,0,1]=4 3382 B16R2.32142 OCCOc1cccc2c1cc(cc2)Br 34a_100010089991_100000211926 [1,1,0,0,0,0|0,0,1]=3 3383 B16R2.32142 OCCOc1cccc2c1cc(cc2)Br 7a_100010089991_100000211926 [1,1,0,0,0,0|0,0,1]=3 3384 B16R2.32142 OCCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100000211926 [1,1,0,0,0,0|0,0,1]=3 3385 B16R2.32142 OCCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100000211926 [1,1,0,0,0,0|0,0,1]=3 3386 B16R2.32142 OCCOc1cccc2c1cc(cc2)F 34a_100009881884_100000211926 [1,1,0,0,0,0|0,0,1]=3 3387 B16R2.32142 OCCOc1cccc2c1cc(cc2)F 7a_100009881884_100000211926 [1,1,0,0,0,0|0,0,1]=3 3388 B16R2.32142 OCCOc1cccc2c1cc(cn2)Br 34a_200010153752_100000211926 [1,1,0,0,0,0|1,0,1]=4 3389 B16R2.32142 OCCOc1cccc2c1cc(cn2)Br 7a_200010153752_100000211926 [1,1,0,0,0,0|1,0,1]=4 3390 B16R2.32142 OCCOc1cccc2c1nc(cc2)Br 34a_100010153751_100000211926 [1,1,0,0,0,0|1,0,1]=4 3391 B16R2.32142 OCCOc1cccc2c1nc(cc2)Br 7a_100010153751_100000211926 [1,1,0,0,0,0|1,0,1]=4 3392 B16R2.32142 OCCOc1cccc2c1nc(cc2)Cl 34a_100000013812_100000211926 [1,1,0,0,0,0|1,0,1]=4 3393 B16R2.32142 OCCOc1cccc2c1nc(cc2)Cl 7a_100000013812_100000211926 [1,1,0,0,0,0|1,0,1]=4 3394 B16R2.32142 OCCOc1ccnc2c1cc(cc2)F 34a_100000004104_100000211926 [1,1,0,0,0,0|1,0,1]=4 3395 B16R2.32142 OCCOc1cncc2c1cc(cc2)Br 34a_100010136424_100000211926 [1,1,0,0,0,0|1,0,1]=4 3396 B16R2.32142 OCCOc1cncc2c1cc(cc2)Br 7a_100010136424_100000211926 [1,1,0,0,0,0|1,0,1]=4 3397 B16R2.32142 OCCOc1nccc2c1cc(cc2)Br 34a_100000010956_100000211926 [1,1,0,0,0,0|1,0,1]=4 3398 B16R2.32142 OCCOc1nccc2c1cc(cc2)Cl 34a_100000005406_100000211926 [1,1,0,0,0,0|1,0,1]=4 3399 B16R2.32142 OCCSc1cccc2c1cc(cc2)O 62a_100000211926_100010169565 [1,1,0,0,0,0|0,1,1]=4 3400 B16R2.50359 BrCCOCc1cccc2c1cccc2 34a_100000211926_100011261445 [1,1,0,0,0,0|1,0,1]=4 3401 B16R2.50359 C#CCCOc1cccc2c1cccc2 34a_100000210388_100000688953 [1,1,0,0,0,0|1,0,1]=4 3402 B16R2.50359 C#CCCOc1cccc2c1cccc2 7a_100000210388_100000688953 [1,1,0,0,0,0|1,0,1]=4 3403 B16R2.50359 C#CCOCc1cccc2c1cccc2 34a_100000210247_100011261445 [1,1,0,0,0,0|1,0,1]=4 3404 B16R2.50359 C#CCOCc1cccc2c1cccc2 34a_100011216843_100000184674 [1,1,0,0,0,0|1,0,1]=4 3405 B16R2.50359 C#CCOCc1cccc2c1cccc2 7a_100011216843_100000038162 [1,1,0,0,0,0|1,0,1]=4 3406 B16R2.50359 C/C=C/CNc1cccc2c1cccc2 34a_100000185869_100102629194 [1,1,0,0,0,0|2,0,0]=4 3407 B16R2.50359 C/C=C/COc1cccc2c1cccc2 34a_100000210388_100102629194 [1,1,0,0,0,0|1,0,0]=3 3408 B16R2.50359 C/C=C/COc1cccc2c1cccc2 7a_100000210388_100102629194 [1,1,0,0,0,0|1,0,0]=3 3409 B16R2.50359 C/C=C/COc1cccc2c1cccn2 34a_100011197808_100102629194 [1,1,0,0,0,0|2,0,0]=4 3410 B16R2.50359 C/C=C/COc1cccc2c1ccnc2 34a_100011218533_100102629194 [1,1,0,0,0,0|2,0,0]=4 3411 B16R2.50359 C/C=C/COc1cccc2c1cncc2 34a_103624766955_100102629194 [1,1,0,0,0,0|2,0,0]=4 3412 B16R2.50359 C/C=C/COc1cccc2c1nccc2 34a_100000056035_100102629194 [1,1,0,0,0,0|2,0,0]=4 3413 B16R2.50359 C/C=C/COc1cncc2c1cccc2 34a_100000066178_100102629194 [1,1,0,0,0,0|2,0,0]=4 3414 B16R2.50359 C/C=C/COc1cncc2c1cccc2 7a_100000066178_100102629194 [1,1,0,0,0,0|2,0,0]=4 3415 B16R2.50359 C/C=C/COc1nccc2c1cccc2 34a_102531767632_100102629194 [1,1,0,0,0,0|2,0,0]=4 3416 B16R2.50359 C/C=C/CSc1cccc2c1cccc2 62a_100102629194_100000210605 [1,1,0,0,0,0|1,1,0]=4 3417 B16R2.50359 C=CCCNc1cccc2c1cccc2 34a_100000185869_100000754431 [1,1,0,0,0,0|2,0,0]=4 3418 B16R2.50359 C=CCCOc1cccc2c1cccc2 34a_100000210388_100000754431 [1,1,0,0,0,0|1,0,0]=3 3419 B16R2.50359 C=CCCOc1cccc2c1cccc2 7a_100000210388_100000754431 [1,1,0,0,0,0|1,0,0]=3 3420 B16R2.50359 C=CCCOc1cccc2c1cccn2 34a_100011197808_100000754431 [1,1,0,0,0,0|2,0,0]=4 3421 B16R2.50359 C=CCCOc1cccc2c1ccnc2 34a_100011218533_100000754431 [1,1,0,0,0,0|2,0,0]=4 3422 B16R2.50359 C=CCCOc1cccc2c1cncc2 34a_103624766955_100000754431 [1,1,0,0,0,0|2,0,0]=4 3423 B16R2.50359 C=CCCOc1cccc2c1nccc2 34a_100000056035_100000754431 [1,1,0,0,0,0|2,0,0]=4 3424 B16R2.50359 C=CCCOc1cncc2c1cccc2 34a_100000066178_100000754431 [1,1,0,0,0,0|2,0,0]=4 3425 B16R2.50359 C=CCCOc1cncc2c1cccc2 7a_100000066178_100000754431 [1,1,0,0,0,0|2,0,0]=4 3426 B16R2.50359 C=CCCOc1nccc2c1cccc2 34a_102531767632_100000754431 [1,1,0,0,0,0|2,0,0]=4 3427 B16R2.50359 C=CCCSc1cccc2c1cccc2 62a_100000754431_100000210605 [1,1,0,0,0,0|1,1,0]=4 3428 B16R2.50359 C=CCNCc1cccc2c1cccc2 2230a_100020586998_100011261445 [1,1,0,0,0,0|2,0,0]=4 3429 B16R2.50359 C=CCNCc1cccc2c1cccc2 270004a_100020586998_100000210074 [1,1,0,0,0,0|2,0,0]=4 3430 B16R2.50359 C=CCNCc1cccc2c1cccc2 34a_100000753325_100015514636 [1,1,0,0,0,0|2,0,0]=4 3431 B16R2.50359 C=CCOCc1cccc2c1cccc2 34a_100011216843_100015514636 [1,1,0,0,0,0|1,0,0]=3 3432 B16R2.50359 C=CCOCc1cccc2c1cccc2 34a_200000210373_100011261445 [1,1,0,0,0,0|1,0,0]=3 3433 B16R2.50359 C=CCOCc1cccc2c1cccc2 7a_100011216843_100015514636 [1,1,0,0,0,0|1,0,0]=3 3434 B16R2.50359 C=CCOCc1cccc2c1cccn2 34a_100000709871_100015514636 [1,1,0,0,0,0|2,0,0]=4 3435 B16R2.50359 C=CCOCc1cccc2c1ccnc2 34a_200000210373_100016989825 [1,1,0,0,0,0|2,0,0]=4 3436 B16R2.50359 C=CCOCc1cccc2c1nccc2 34a_100011303629_100015514636 [1,1,0,0,0,0|2,0,0]=4 3437 B16R2.50359 C=CCOCc1cccc2c1nccc2 34a_200000210373_100000241032 [1,1,0,0,0,0|2,0,0]=4 3438 B16R2.50359 C=CCOCc1ccnc2c1cccc2 34a_200000210373_100015192512 [1,1,0,0,0,0|2,0,0]=4 3439 B16R2.50359 C=CCOCc1nccc2c1cccc2 34a_200000210373_100000033776 [1,1,0,0,0,0|2,0,0]=4 3440 B16R2.50359 C=CCSCc1cccc2c1cccc2 62a_100000210623_100000188474 [1,1,0,0,0,0|1,1,0]=4 3441 B16R2.50359 C=CCSCc1cccc2c1cccc2 62a_100011261445_100000210623 [1,1,0,0,0,0|1,1,0]=4 3442 B16R2.50359 CC#CCOc1cccc2c1cccc2 34a_100000210388_100000748600 [1,1,0,0,0,0|1,0,1]=4 3443 B16R2.50359 CC#CCOc1cccc2c1cccc2 7a_100000210388_100000748600 [1,1,0,0,0,0|1,0,1]=4 3444 B16R2.50359 CC=CCNc1cccc2c1cccc2 34a_100000185869_100000070051 [1,1,0,0,0,0|2,0,0]=4 3445 B16R2.50359 CC=CCOc1cccc2c1cccc2 34a_100000210388_100000070051 [1,1,0,0,0,0|1,0,0]=3 3446 B16R2.50359 CC=CCOc1cccc2c1cccc2 7a_100000210388_100000070051 [1,1,0,0,0,0|1,0,0]=3 3447 B16R2.50359 CC=CCOc1cccc2c1cccn2 34a_100011197808_100000070051 [1,1,0,0,0,0|2,0,0]=4 3448 B16R2.50359 CC=CCOc1cccc2c1ccnc2 34a_100011218533_100000070051 [1,1,0,0,0,0|2,0,0]=4 3449 B16R2.50359 CC=CCOc1cccc2c1cncc2 34a_103624766955_100000070051 [1,1,0,0,0,0|2,0,0]=4 3450 B16R2.50359 CC=CCOc1cccc2c1nccc2 34a_100000056035_100000070051 [1,1,0,0,0,0|2,0,0]=4 3451 B16R2.50359 CC=CCOc1cncc2c1cccc2 34a_100000066178_100000070051 [1,1,0,0,0,0|2,0,0]=4 3452 B16R2.50359 CC=CCOc1cncc2c1cccc2 7a_100000066178_100000070051 [1,1,0,0,0,0|2,0,0]=4 3453 B16R2.50359 CC=CCOc1nccc2c1cccc2 34a_102531767632_100000070051 [1,1,0,0,0,0|2,0,0]=4 3454 B16R2.50359 CC=CCSc1cccc2c1cccc2 62a_100000070051_100000210605 [1,1,0,0,0,0|1,1,0]=4 3455 B16R2.50359 CCCCOc1cccc2c1cccc2 34a_100000210388_100000210210 [1,1,0,0,0,0|1,0,1]=4 3456 B16R2.50359 CCCCOc1cccc2c1cccc2 7a_100000210388_100000210211 [1,1,0,0,0,0|1,0,1]=4 3457 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100000210258_100011261445 [1,1,0,0,0,0|1,0,1]=4 3458 B16R2.50359 CCCOCc1cccc2c1cccc2 34a_100011216843_100000210303 [1,1,0,0,0,0|1,0,1]=4 3459 B16R2.50359 CCCOCc1cccc2c1cccc2 7a_100011216843_100000210303 [1,1,0,0,0,0|1,0,1]=4 3460 B16R2.50359 CNCCOc1cccc2c1cccc2 2230a_100000742599_200000210301 [1,1,0,0,0,0|1,0,1]=4 3461 B16R2.50359 CNCCOc1cccc2c1cccc2 2230a_106832991635_100000745918 [1,1,0,0,0,0|1,0,1]=4 3462 B16R2.50359 CNCCOc1cccc2c1cccc2 34a_100000742599_200000210301 [1,1,0,0,0,0|1,0,1]=4 3463 B16R2.50359 CNCCOc1cccc2c1cccc2 34a_100102657272_100000745918 [1,1,0,0,0,0|1,0,1]=4 3464 B16R2.50359 CNCCOc1cccc2c1cccc2 7a_106832991635_100000745918 [1,1,0,0,0,0|1,0,1]=4 3465 B16R2.50359 COCCNc1cccc2c1cccc2 34a_100000185869_100011201679 [1,1,0,0,0,0|1,0,1]=4 3466 B16R2.50359 COCCOc1cccc2c1cccc2 34a_100000210388_100011201679 [1,1,0,0,0,0|0,0,1]=3 3467 B16R2.50359 COCCOc1cccc2c1cccc2 34a_100138415774_100000745918 [1,1,0,0,0,0|0,0,1]=3 3468 B16R2.50359 COCCOc1cccc2c1cccc2 34a_200011305859_200000210301 [1,1,0,0,0,0|0,0,1]=3 3469 B16R2.50359 COCCOc1cccc2c1cccc2 7a_100000210388_100000233755 [1,1,0,0,0,0|0,0,1]=3 3470 B16R2.50359 COCCOc1cccc2c1cccc2 7a_200011305859_200000210301 [1,1,0,0,0,0|0,0,1]=3 3471 B16R2.50359 COCCOc1cccc2c1cccn2 34a_100011197808_100011201679 [1,1,0,0,0,0|1,0,1]=4 3472 B16R2.50359 COCCOc1cccc2c1ccnc2 34a_100011218533_100011201679 [1,1,0,0,0,0|1,0,1]=4 3473 B16R2.50359 COCCOc1cccc2c1cncc2 34a_103624766955_100011201679 [1,1,0,0,0,0|1,0,1]=4 3474 B16R2.50359 COCCOc1cccc2c1nccc2 34a_100000056035_100011201679 [1,1,0,0,0,0|1,0,1]=4 3475 B16R2.50359 COCCOc1cncc2c1cccc2 34a_100000066178_100011201679 [1,1,0,0,0,0|1,0,1]=4 3476 B16R2.50359 COCCOc1cncc2c1cccc2 7a_100000066178_100000233755 [1,1,0,0,0,0|1,0,1]=4 3477 B16R2.50359 COCCOc1nccc2c1cccc2 34a_102531767632_100011201679 [1,1,0,0,0,0|1,0,1]=4 3478 B16R2.50359 COCCSc1cccc2c1cccc2 62a_100000233755_100000210605 [1,1,0,0,0,0|0,1,1]=4 3479 B16R2.50359 CSCCOc1cccc2c1cccc2 34a_100000210388_100000212216 [1,1,0,0,0,0|0,1,1]=4 3480 B16R2.50359 CSCCOc1cccc2c1cccc2 62a_100000745918_200000210301 [1,1,0,0,0,0|0,1,1]=4 3481 B16R2.50359 CSCCOc1cccc2c1cccc2 62a_200000210301_100000745918 [1,1,0,0,0,0|0,1,1]=4 3482 B16R2.50359 CSCCOc1cccc2c1cccc2 7a_100000210388_100000212216 [1,1,0,0,0,0|0,1,1]=4 3483 B16R2.50359 CSCOCc1cccc2c1cccc2 34a_100011216843_100011218213 [1,1,0,0,0,0|2,0,0]=4 3484 B16R2.50359 FCCCOc1cccc2c1cccc2 34a_100000210388_100011934791 [1,1,0,0,0,0|1,0,1]=4 3485 B16R2.50359 FCCCOc1cccc2c1cccc2 7a_100000210388_100011934791 [1,1,0,0,0,0|1,0,1]=4 3486 B16R2.50359 FCCOCc1cccc2c1cccc2 34a_100011216843_100011217306 [1,1,0,0,0,0|1,0,1]=4 3487 B16R2.50359 FCCOCc1cccc2c1cccc2 7a_100011216843_100011217306 [1,1,0,0,0,0|1,0,1]=4 3488 B16R2.50359 N#CCCOc1cccc2c1cccc2 7a_100000210388_100000184422 [1,1,0,0,0,0|1,0,1]=4 3489 B16R2.50359 N#CCOCc1cccc2c1cccc2 7a_100011216843_100011215382 [1,1,0,0,0,0|1,0,1]=4 3490 B16R2.50359 NCCOCc1cccc2c1cccc2 34a_100000210304_100011261445 [1,1,0,0,0,0|1,0,1]=4 3491 B16R2.50359 O=CCNCc1cccc2c1cccc2 34a_100000753325_200009817547 [1,1,0,0,0,0|1,0,0]=3 3492 B16R2.50359 O=CCOCc1cccc2c1cccc2 34a_100011216843_200009817547 [1,1,0,0,0,0|0,0,0]=2 3493 B16R2.50359 O=CCOCc1cccc2c1cccc2 7a_100011216843_200015260668 [1,1,0,0,0,0|0,0,0]=2 3494 B16R2.50359 O=CCOCc1cccc2c1cccn2 34a_100000709871_200009817547 [1,1,0,0,0,0|1,0,0]=3 3495 B16R2.50359 O=CCOCc1cccc2c1nccc2 34a_100011303629_200009817547 [1,1,0,0,0,0|1,0,0]=3 3496 B16R2.50359 O=CCSCc1cccc2c1cccc2 62a_100011261445_200015260668 [1,1,0,0,0,0|0,1,0]=3 3497 B16R2.50359 O=CCSCc1cccc2c1cccc2 62a_200015260668_100000188474 [1,1,0,0,0,0|0,1,0]=3 3498 B16R2.50359 O=CCSCc1cccc2c1ccnc2 62a_100016989825_200015260668 [1,1,0,0,0,0|1,1,0]=4 3499 B16R2.50359 O=CCSCc1cccc2c1ccnc2 62a_200015260668_100016989825 [1,1,0,0,0,0|1,1,0]=4 3500 B16R2.50359 O=CCSCc1cccc2c1nccc2 62a_200015260668_100000241032 [1,1,0,0,0,0|1,1,0]=4 3501 B16R2.50359 O=CCSCc1ccnc2c1cccc2 62a_100015192512_200015260668 [1,1,0,0,0,0|1,1,0]=4 3502 B16R2.50359 O=CCSCc1ccnc2c1cccc2 62a_200015260668_100015192512 [1,1,0,0,0,0|1,1,0]=4 3503 B16R2.50359 O=CCSCc1nccc2c1cccc2 62a_100000033776_200015260668 [1,1,0,0,0,0|1,1,0]=4 3504 B16R2.50359 O=CCSCc1nccc2c1cccc2 62a_200015260668_100000033776 [1,1,0,0,0,0|1,1,0]=4 3505 B16R2.50359 OCCCNc1cccc2c1cccc2 34a_100000185869_100000230001 [1,1,0,0,0,0|1,0,1]=4 3506 B16R2.50359 OCCCOc1cccc2c1cccc2 34a_100000210388_100000230001 [1,1,0,0,0,0|0,0,1]=3 3507 B16R2.50359 OCCCOc1cccc2c1cccc2 7a_100000210388_100011215043 [1,1,0,0,0,0|0,0,1]=3 3508 B16R2.50359 OCCCOc1cccc2c1cccn2 34a_100011197808_100000230001 [1,1,0,0,0,0|1,0,1]=4 3509 B16R2.50359 OCCCOc1cccc2c1ccnc2 34a_100011218533_100000230001 [1,1,0,0,0,0|1,0,1]=4 3510 B16R2.50359 OCCCOc1cccc2c1cncc2 34a_103624766955_100000230001 [1,1,0,0,0,0|1,0,1]=4 3511 B16R2.50359 OCCCOc1cccc2c1nccc2 34a_100000056035_100000230001 [1,1,0,0,0,0|1,0,1]=4 3512 B16R2.50359 OCCCOc1cncc2c1cccc2 34a_100000066178_100000230001 [1,1,0,0,0,0|1,0,1]=4 3513 B16R2.50359 OCCCOc1cncc2c1cccc2 7a_100000066178_100011215043 [1,1,0,0,0,0|1,0,1]=4 3514 B16R2.50359 OCCCOc1nccc2c1cccc2 34a_102531767632_100000230001 [1,1,0,0,0,0|1,0,1]=4 3515 B16R2.50359 OCCCSc1cccc2c1cccc2 62a_100011215043_100000210605 [1,1,0,0,0,0|0,1,1]=4 3516 B16R2.50359 OCCNCc1cccc2c1cccc2 207a_100000210304_100000210074 [1,1,0,0,0,0|1,0,1]=4 3517 B16R2.50359 OCCNCc1cccc2c1cccc2 2230a_100016997473_100011261445 [1,1,0,0,0,0|1,0,1]=4 3518 B16R2.50359 OCCNCc1cccc2c1cccc2 270004a_100000210304_100000210074 [1,1,0,0,0,0|1,0,1]=4 3519 B16R2.50359 OCCNCc1cccc2c1cccc2 34a_100000753325_100000211926 [1,1,0,0,0,0|1,0,1]=4 3520 B16R2.50359 OCCNCc1cccc2c1cccc2 34a_100016990907_100011261445 [1,1,0,0,0,0|1,0,1]=4 3521 B16R2.50359 OCCOCc1cccc2c1cccc2 34a_100011216843_100000211926 [1,1,0,0,0,0|0,0,1]=3 3522 B16R2.50359 OCCOCc1cccc2c1cccc2 7a_100011216843_100000211926 [1,1,0,0,0,0|0,0,1]=3 3523 B16R2.50359 OCCOCc1cccc2c1cccn2 34a_100000709871_100000211926 [1,1,0,0,0,0|1,0,1]=4 3524 B16R2.50359 OCCOCc1cccc2c1nccc2 34a_100011303629_100000211926 [1,1,0,0,0,0|1,0,1]=4 3525 B16R2.50359 OCCSCc1cccc2c1cccc2 62a_100000211926_100000188474 [1,1,0,0,0,0|0,1,1]=4 3526 B16R2.50359 OCCSCc1cccc2c1cccc2 62a_100011261445_100000211926 [1,1,0,0,0,0|0,1,1]=4 3527 B16R2.50359 [13CH3]NCCOc1cccc2c1cccc2 2230a_100000742599_200025704644 [1,1,0,0,0,0|1,0,1]=4 3528 B16R2.50359 [13CH3]NCCOc1cccc2c1cccc2 34a_100000742599_200025704644 [1,1,0,0,0,0|1,0,1]=4 3529 B16R2.50359 [13CH3]OCCOc1cccc2c1cccc2 34a_200011305859_200025704644 [1,1,0,0,0,0|0,0,1]=3 3530 B16R2.50359 [13CH3]OCCOc1cccc2c1cccc2 7a_200011305859_200025704644 [1,1,0,0,0,0|0,0,1]=3 3531 B16R2.50359 [13CH3]SCCOc1cccc2c1cccc2 62a_100000745918_200025704644 [1,1,0,0,0,0|0,1,1]=4 3532 B16R2.50359 [13CH3]SCCOc1cccc2c1cccc2 62a_200025704644_100000745918 [1,1,0,0,0,0|0,1,1]=4 3533 B16R2.160202 C=CCC(=O)c1cccc2c1cccc2 1458a_100000210949_100000210623 [1,1,0,0,0,0|2,0,0]=4 3534 B16R2.160202 C=CCN(C)c1cccc2c1cccc2 2230a_100000220138_100000210623 [1,1,0,0,0,0|2,0,0]=4 3535 B16R2.160202 C=CCN(C)c1cccc2c1cccc2 269982a_100000220138_100000210623 [1,1,0,0,0,0|2,0,0]=4 3536 B16R2.160202 C=CCN(C)c1cccc2c1cccc2 34a_100000220138_100015514636 [1,1,0,0,0,0|2,0,0]=4 3537 B16R2.160202 CN(CC=O)c1cccc2c1cccc2 2230a_100000220138_200015260668 [1,1,0,0,0,0|1,0,0]=3 3538 B16R2.160202 CN(CC=O)c1cccc2c1cccc2 269982a_100000220138_200015260668 [1,1,0,0,0,0|1,0,0]=3 3539 B16R2.160202 CN(CC=O)c1cccc2c1cccc2 34a_100000220138_200009817547 [1,1,0,0,0,0|1,0,0]=3 3540 B16R2.160202 CN(CCO)c1cccc2c1cccc2 2230a_100000220138_100000211926 [1,1,0,0,0,0|1,0,1]=4 3541 B16R2.160202 CN(CCO)c1cccc2c1cccc2 269982a_100000220138_100000211926 [1,1,0,0,0,0|1,0,1]=4 3542 B16R2.160202 CN(CCO)c1cccc2c1cccc2 34a_100000220138_100000211926 [1,1,0,0,0,0|1,0,1]=4 3543 B16R2.160202 O=C(CCO)c1cccc2c1cccc2 1458a_100000210949_100000211926 [1,1,0,0,0,0|1,0,1]=4 3544 B16R2.170412 C#CC(C)Oc1cccc2c1cccc2 34a_100000210388_200000035995 [1,1,0,0,0,0|1,0,1]=4 3545 B16R2.170412 C=CC(C)Sc1cccc2c1cccc2 62a_100011215867_100000210605 [1,1,0,0,0,0|1,1,0]=4 3546 B16R2.170412 CC(C#N)Oc1cccc2c1cccc2 7a_100000210388_100000703298 [1,1,0,0,0,0|1,0,1]=4 3547 B16R2.170412 CC(CO)Nc1cccc2c1cccc2 34a_100000185869_100012180447 [1,1,0,0,0,0|1,0,1]=4 3548 B16R2.170412 CC(CO)Oc1cccc2c1cccc2 34a_100000210388_100012180447 [1,1,0,0,0,0|0,0,1]=3 3549 B16R2.170412 CC(CO)Oc1cccc2c1cccc2 7a_100000210388_100012180447 [1,1,0,0,0,0|0,0,1]=3 3550 B16R2.170412 CC(CO)Oc1cccc2c1cccn2 34a_100011197808_100012180447 [1,1,0,0,0,0|1,0,1]=4 3551 B16R2.170412 CC(CO)Oc1cccc2c1ccnc2 34a_100011218533_100012180447 [1,1,0,0,0,0|1,0,1]=4 3552 B16R2.170412 CC(CO)Oc1cccc2c1cncc2 34a_103624766955_100012180447 [1,1,0,0,0,0|1,0,1]=4 3553 B16R2.170412 CC(CO)Oc1cccc2c1nccc2 34a_100000056035_100012180447 [1,1,0,0,0,0|1,0,1]=4 3554 B16R2.170412 CC(CO)Oc1cncc2c1cccc2 34a_100000066178_100012180447 [1,1,0,0,0,0|1,0,1]=4 3555 B16R2.170412 CC(CO)Oc1cncc2c1cccc2 7a_100000066178_100012180447 [1,1,0,0,0,0|1,0,1]=4 3556 B16R2.170412 CC(CO)Oc1nccc2c1cccc2 34a_102531767632_100012180447 [1,1,0,0,0,0|1,0,1]=4 3557 B16R2.170412 CC(CO)Sc1cccc2c1cccc2 62a_100012180447_100000210605 [1,1,0,0,0,0|0,1,1]=4 3558 B16R2.170412 CCC(C)Oc1cccc2c1cccc2 34a_100000210388_100011215416 [1,1,0,0,0,0|1,0,1]=4 3559 B16R2.170412 CCC(C)Oc1cccc2c1cccc2 7a_100000210388_100000758301 [1,1,0,0,0,0|1,0,1]=4 3560 B16R2.170412 C[C@H](CO)Sc1cccc2c1cccc2 62a_100016084084_100000210605 [1,1,0,0,0,0|0,1,1]=4 3561 B16R2.12 CC(=O)C(C)Oc1csc2c1cccc2 7a_100000077758_100000179758 [0,1,0,0,1,0|2,0,0]=4 3562 B16R2.12 CC(Oc1csc2c1cccc2)C(=O)N 34a_100000077758_100000702099 [0,1,0,0,1,0|2,0,0]=4 3563 B16R2.12 CC(Oc1csc2c1cccc2)C(=O)N 7a_100000077758_100000702099 [0,1,0,0,1,0|2,0,0]=4 3564 B16R2.12 NC(=O)C(F)Oc1csc2c1cccc2 34a_100000077758_100009813875 [0,1,0,0,1,0|2,0,0]=4 3565 B16R2.12 NC(=O)C(F)Oc1csc2c1cccc2 7a_100000077758_100009813875 [0,1,0,0,1,0|2,0,0]=4 3566 B16R2.12 O=C([O-])C(F)Oc1csc2c1cccc2 34a_100000077758_100020610796 [0,1,0,0,1,0|1,0,1]=4 3567 B16R2.14 CCC(=O)COc1csc2c1cccc2 7a_100000077758_100000747405 [0,1,0,0,1,0|2,0,0]=4 3568 B16R2.14 CNC(=O)COc1csc2c1cccc2 34a_100000077758_100000183359 [0,1,0,0,1,0|2,0,0]=4 3569 B16R2.14 CNC(=O)COc1csc2c1cccc2 7a_100000077758_100000183359 [0,1,0,0,1,0|2,0,0]=4 3570 B16R2.14 COC(=O)COc1csc2c1cccc2 34a_100000077758_100000747449 [0,1,0,0,1,0|1,0,0]=3 3571 B16R2.14 COC(=O)COc1csc2c1cccc2 7a_100000077758_100000747449 [0,1,0,0,1,0|1,0,0]=3 3572 B16R2.14 COC(=O)CSc1coc2c1cccc2 62a_100000747449_100009812202 [0,1,0,0,1,0|1,1,0]=4 3573 B16R2.14 COC(=O)CSc1csc2c1cccc2 62a_100000747449_100009813928 [0,1,0,0,1,0|1,1,0]=4 3574 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccc2 1458a_100000210174_100011218569 [0,1,0,0,1,0|2,0,0]=4 3575 B16R2.11 Cn1ccc2c1cccc2OCC(=O)N 34a_100000094269_100000187820 [0,1,0,0,1,0|2,0,0]=4 3576 B16R2.11 Cn1ccc2c1cccc2OCC(=O)[O-] 34a_100000094269_100020667443 [0,1,0,0,1,0|1,0,1]=4 3577 B16R2.232 Cc1cc2c(cccc2[nH]1)OCC(=O)N 34a_200000059750_100000187820 [0,1,0,0,1,0|2,0,0]=4 3578 B16R2.232 Cc1cc2c(cccc2[nH]1)OCC(=O)[O-] 34a_200000059750_100020667443 [0,1,0,0,1,0|1,0,1]=4 3579 B16R2.24410 Cc1ccc(c2c1[nH]cc2)OCC(=O)N 34a_100000132354_100000187820 [0,1,0,0,1,0|2,0,0]=4 3580 B16R2.24410 Cc1ccc(c2c1[nH]cc2)OCC(=O)[O-] 34a_100000132354_100020667443 [0,1,0,0,1,0|1,0,1]=4 3581 B16R2.24410 NC(=O)COc1ccc(c2c1occ2)Br 34a_200020711608_100000187820 [0,1,0,0,1,0|2,0,0]=4 3582 B16R2.24410 NC(=O)COc1ccc(c2c1occ2)Br 7a_200020711608_100000187820 [0,1,0,0,1,0|2,0,0]=4 3583 B16R2.24410 O=C([O-])COc1ccc(c2c1occ2)Br 34a_200020711608_100020667443 [0,1,0,0,1,0|1,0,1]=4 3584 B16R2.33648 CCC(=O)COc1cccc2c1ccs2 7a_100000077759_100000747405 [0,1,0,0,1,0|2,0,0]=4 3585 B16R2.33648 CNC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000183359 [0,1,0,0,1,0|2,0,0]=4 3586 B16R2.33648 CNC(=O)COc1cccc2c1ccs2 34a_100000077759_100000183359 [0,1,0,0,1,0|2,0,0]=4 3587 B16R2.33648 CNC(=O)COc1cccc2c1ccs2 7a_100000077759_100000183359 [0,1,0,0,1,0|2,0,0]=4 3588 B16R2.33648 COC(=O)CNc1cccc2c1ccs2 34a_100020628958_100000747449 [0,1,0,0,1,0|2,0,0]=4 3589 B16R2.33648 COC(=O)COc1cccc2c1cc[nH]2 34a_100000763377_100000747449 [0,1,0,0,1,0|1,0,0]=3 3590 B16R2.33648 COC(=O)COc1cccc2c1ccs2 34a_100000077759_100000747449 [0,1,0,0,1,0|1,0,0]=3 3591 B16R2.33648 COC(=O)COc1cccc2c1ccs2 7a_100000077759_100000747449 [0,1,0,0,1,0|1,0,0]=3 3592 B16R2.33648 COC(=O)COc1cccc2c1ncs2 34a_100000101385_100000747449 [0,1,0,0,1,0|2,0,0]=4 3593 B16R2.33648 COC(=O)COc1cccc2c1ncs2 7a_100000101385_100000747449 [0,1,0,0,1,0|2,0,0]=4 3594 B16R2.33648 COC(=O)COc1cccn2c1ncc2 34a_100000068405_100000747449 [0,1,0,0,1,0|2,0,0]=4 3595 B16R2.33648 COC(=O)COc1cccn2c1ncc2 7a_100000068405_100000747449 [0,1,0,0,1,0|2,0,0]=4 3596 B16R2.33648 COC(=O)COc1ccnc2c1scc2 34a_100000759877_100000747449 [0,1,0,0,1,0|2,0,0]=4 3597 B16R2.33648 COC(=O)CSc1cccc2c1CC=C2 62a_100000747449_100009844718 [0,1,0,0,1,0|0,1,1]=4 3598 B16R2.33648 COC(=O)CSc1cccc2c1CC=C2 62a_100009844718_100000747449 [0,1,0,0,1,0|0,1,1]=4 3599 B16R2.33648 COC(=O)CSc1cccc2c1[nH]cc2 62a_100000747449_100009813418 [0,1,0,0,1,0|1,1,0]=4 3600 B16R2.33648 COC(=O)CSc1cccc2c1cc[nH]2 62a_100000747449_100000685724 [0,1,0,0,1,0|1,1,0]=4 3601 B16R2.33648 COC(=O)CSc1cccc2c1cco2 62a_100000747449_100000756496 [0,1,0,0,1,0|1,1,0]=4 3602 B16R2.33648 COC(=O)CSc1cccc2c1ccs2 62a_100000747449_100009816950 [0,1,0,0,1,0|1,1,0]=4 3603 B16R2.33648 COC(=O)CSc1cccc2c1occ2 62a_100000747449_100011935138 [0,1,0,0,1,0|1,1,0]=4 3604 B16R2.33648 COC(=O)CSc1cccc2c1scc2 62a_100000747449_100000766737 [0,1,0,0,1,0|1,1,0]=4 3605 B16R2.49441 CC(=O)C(C)Oc1cccc2c1ccs2 7a_100000077759_100000179758 [0,1,0,0,1,0|2,0,0]=4 3606 B16R2.49441 CC(Oc1cccc2c1cc[nH]2)C(=O)N 34a_100000763377_100000702099 [0,1,0,0,1,0|2,0,0]=4 3607 B16R2.49441 CC(Oc1cccc2c1ccs2)C(=O)N 34a_100000077759_100000702099 [0,1,0,0,1,0|2,0,0]=4 3608 B16R2.49441 CC(Oc1cccc2c1ccs2)C(=O)N 7a_100000077759_100000702099 [0,1,0,0,1,0|2,0,0]=4 3609 B16R2.49441 NC(=O)C(F)Oc1cccc2c1cc[nH]2 34a_100000763377_100009813875 [0,1,0,0,1,0|2,0,0]=4 3610 B16R2.49441 NC(=O)C(F)Oc1cccc2c1ccs2 34a_100000077759_100009813875 [0,1,0,0,1,0|2,0,0]=4 3611 B16R2.49441 NC(=O)C(F)Oc1cccc2c1ccs2 7a_100000077759_100009813875 [0,1,0,0,1,0|2,0,0]=4 3612 B16R2.49441 O=C([O-])C(F)Oc1cccc2c1cc[nH]2 34a_100000763377_100020610796 [0,1,0,0,1,0|1,0,1]=4 3613 B16R2.49441 O=C([O-])C(F)Oc1cccc2c1ccs2 34a_100000077759_100020610796 [0,1,0,0,1,0|1,0,1]=4 3614 B16R2.333 CC(=O)Cc1c(ccc2c1cccc2)C 1458a_100000070787_100000689653 [0,1,0,0,1,0|1,0,0]=3 3615 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Br 11a_100009817101_100015343762 [0,1,0,0,1,0|2,0,0]=4 3616 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Br 1626a_100009817101_100015343762 [0,1,0,0,1,0|2,0,0]=4 3617 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)C 11a_100000688109_100015343762 [0,1,0,0,1,0|2,0,0]=4 3618 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)C 1626a_100000688109_100015343762 [0,1,0,0,1,0|2,0,0]=4 3619 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)C 22a_100000688109_100000070787 [0,1,0,0,1,0|2,0,0]=4 3620 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Cl 11a_200009860907_100015343762 [0,1,0,0,1,0|2,0,0]=4 3621 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)Cl 1626a_200009860907_100015343762 [0,1,0,0,1,0|2,0,0]=4 3622 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)O 22a_100000007056_100000070787 [0,1,0,0,1,0|2,0,0]=4 3623 B16R2.333 CC(=O)Nc1c(ccc2c1cccc2)O 527a_100000007056_100103153847 [0,1,0,0,1,0|2,0,0]=4 3624 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)Br 11a_100010090037_100015343762 [0,1,0,0,1,0|2,0,0]=4 3625 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)Br 1626a_100010090037_100015343762 [0,1,0,0,1,0|2,0,0]=4 3626 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)Br 22a_100010090037_100000070787 [0,1,0,0,1,0|2,0,0]=4 3627 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)O 1626a_100000034668_100015343762 [0,1,0,0,1,0|2,0,0]=4 3628 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)O 22a_100000034668_100000070787 [0,1,0,0,1,0|2,0,0]=4 3629 B16R2.2986 CC(=O)Nc1cccc2c1ccc(c2)O 527a_100000034668_100103153847 [0,1,0,0,1,0|2,0,0]=4 3630 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)C 1458a_100000070787_100000755639 [0,1,0,0,1,0|2,0,0]=4 3631 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)Cl 1458a_100000070787_200010137201 [0,1,0,0,1,0|2,0,0]=4 3632 B16R2.3995 CC(=O)Cc1cc(nc2c1cccc2)O 1458a_100000070787_100000187625 [0,1,0,0,1,0|2,0,0]=4 3633 B16R2.3995 CC(=O)Nc1cc(cc2c1cccc2)Br 11a_100010171453_100015343762 [0,1,0,0,1,0|2,0,0]=4 3634 B16R2.3995 CC(=O)Nc1cc(cc2c1cccc2)Br 1626a_100010171453_100015343762 [0,1,0,0,1,0|2,0,0]=4 3635 B16R2.3995 CC(=O)Nc1cc(cc2c1cccc2)Br 22a_100010171453_100000070787 [0,1,0,0,1,0|2,0,0]=4 3636 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 11a_100010090012_100015343762 [0,1,0,0,1,0|2,0,0]=4 3637 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 1626a_100010090012_100015343762 [0,1,0,0,1,0|2,0,0]=4 3638 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 22a_100010090012_100000070787 [0,1,0,0,1,0|2,0,0]=4 3639 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)Br 527a_100010090012_100103153847 [0,1,0,0,1,0|2,0,0]=4 3640 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 1626a_100000034012_100015343762 [0,1,0,0,1,0|2,0,0]=4 3641 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 22a_100000034012_100000070787 [0,1,0,0,1,0|2,0,0]=4 3642 B16R2.12129 CC(=O)Nc1cccc2c1cc(cc2)O 527a_100000034012_100103153847 [0,1,0,0,1,0|2,0,0]=4 3643 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Br 11a_100009816864_100015343762 [0,1,0,0,1,0|2,0,0]=4 3644 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Br 1626a_100009816864_100015343762 [0,1,0,0,1,0|2,0,0]=4 3645 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Br 527a_100009816864_100103153847 [0,1,0,0,1,0|2,0,0]=4 3646 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Cl 11a_100000077128_100015343762 [0,1,0,0,1,0|2,0,0]=4 3647 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Cl 1626a_100000077128_100015343762 [0,1,0,0,1,0|2,0,0]=4 3648 B16R2.22885 CC(=O)Nc1cccc2c1cccc2Cl 22a_100000077128_100000070787 [0,1,0,0,1,0|2,0,0]=4 3649 B16R2.22885 CC(=O)Nc1cccc2c1cccc2O 1626a_100000210686_100015343762 [0,1,0,0,1,0|2,0,0]=4 3650 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)Br 1458a_100000070787_100012352185 [0,1,0,0,1,0|1,0,0]=3 3651 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)C 1458a_100000070787_100012073487 [0,1,0,0,1,0|1,0,0]=3 3652 B16R2.24414 CC(=O)Cc1ccc(c2c1cccc2)F 1458a_100000070787_100011988723 [0,1,0,0,1,0|1,0,0]=3 3653 B16R2.24414 CC(=O)Cc1ccc(c2c1cccn2)O 1458a_100000070787_100000683097 [0,1,0,0,1,0|2,0,0]=4 3654 B16R2.24414 CC(=O)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_200000210301 [0,1,0,0,1,0|2,0,0]=4 3655 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Br 11a_100000766797_100015343762 [0,1,0,0,1,0|2,0,0]=4 3656 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Br 1626a_100000766797_100015343762 [0,1,0,0,1,0|2,0,0]=4 3657 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Br 22a_100000766797_100000070787 [0,1,0,0,1,0|2,0,0]=4 3658 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Cl 11a_100011216319_100015343762 [0,1,0,0,1,0|2,0,0]=4 3659 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Cl 1626a_100011216319_100015343762 [0,1,0,0,1,0|2,0,0]=4 3660 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)Cl 22a_100011216319_100000070787 [0,1,0,0,1,0|2,0,0]=4 3661 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)F 11a_100011988692_100015343762 [0,1,0,0,1,0|2,0,0]=4 3662 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)F 1626a_100011988692_100015343762 [0,1,0,0,1,0|2,0,0]=4 3663 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)F 22a_100011988692_100000070787 [0,1,0,0,1,0|2,0,0]=4 3664 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)O 22a_100000705857_100000070787 [0,1,0,0,1,0|2,0,0]=4 3665 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)O 271570a_203496583355_200012047196 [0,1,0,0,1,0|2,0,0]=4 3666 B16R2.24414 CC(=O)Nc1ccc(c2c1cccc2)O 527a_100000705857_100103153847 [0,1,0,0,1,0|2,0,0]=4 3667 B16R2.24414 [13CH3]C(=O)Cn1ccc(=O)c2c1cccc2 1458a_100000745096_200025704644 [0,1,0,0,1,0|2,0,0]=4 3668 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Br 11a_100010002837_100015343762 [0,1,0,0,1,0|2,0,0]=4 3669 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Br 1626a_100010002837_100015343762 [0,1,0,0,1,0|2,0,0]=4 3670 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Br 527a_100010002837_100103153847 [0,1,0,0,1,0|2,0,0]=4 3671 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)C 11a_100009841044_100015343762 [0,1,0,0,1,0|2,0,0]=4 3672 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)C 1626a_100009841044_100015343762 [0,1,0,0,1,0|2,0,0]=4 3673 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)C 22a_100009841044_100000070787 [0,1,0,0,1,0|2,0,0]=4 3674 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Cl 11a_100009857565_100015343762 [0,1,0,0,1,0|2,0,0]=4 3675 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)Cl 1626a_100009857565_100015343762 [0,1,0,0,1,0|2,0,0]=4 3676 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 11a_100009878580_100015343762 [0,1,0,0,1,0|2,0,0]=4 3677 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 1626a_100009878580_100015343762 [0,1,0,0,1,0|2,0,0]=4 3678 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 22a_100009878580_100000070787 [0,1,0,0,1,0|2,0,0]=4 3679 B16R2.126882 CC(=O)Nc1cccc2c1c(ccc2)F 527a_100009878580_100103153847 [0,1,0,0,1,0|2,0,0]=4 3680 B16R2.244415 CC(=O)N(C)c1cccc2c1cccc2 11a_100000220138_100015343762 [0,1,0,0,1,0|2,0,0]=4 3681 B16R2.244415 CC(=O)N(C)c1cccc2c1cccc2 1626a_100000220138_100015343762 [0,1,0,0,1,0|2,0,0]=4 3682 B16R2.244415 CC(=O)N(C)c1cccc2c1cccc2 22a_100000220138_100000070787 [0,1,0,0,1,0|2,0,0]=4 3683 B18R2.4028 C=C(C)CCOc1cccc2c1ccc(c2)Br 34a_100010202202_100000730704 [0,1,0,0,0,1|2,0,0]=4 3684 B18R2.4028 C=C(C)CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100000730704 [0,1,0,0,0,1|2,0,0]=4 3685 B18R2.4028 C=C(C)CCOc1cccc2c1ccc(c2)F 34a_100009846233_100000730704 [0,1,0,0,0,1|2,0,0]=4 3686 B18R2.4028 C=C(C)CCOc1cccc2c1ccc(c2)F 7a_100009846233_100000730704 [0,1,0,0,0,1|2,0,0]=4 3687 B18R2.4028 C=C(C)CCOc1cccc2c1ccc(c2)N 34a_100000035793_100000730704 [0,1,0,0,0,1|2,0,0]=4 3688 B18R2.4028 CC(=CCOc1cccc2c1ccc(c2)Br)C 34a_100010202202_100000761012 [0,1,0,0,0,1|2,0,0]=4 3689 B18R2.4028 CC(=CCOc1cccc2c1ccc(c2)Br)C 7a_100010202202_100000761012 [0,1,0,0,0,1|2,0,0]=4 3690 B18R2.4028 CC(=CCOc1cccc2c1ccc(c2)F)C 34a_100009846233_100000761012 [0,1,0,0,0,1|2,0,0]=4 3691 B18R2.4028 CC(=CCOc1cccc2c1ccc(c2)F)C 7a_100009846233_100000761012 [0,1,0,0,0,1|2,0,0]=4 3692 B18R2.4028 CC(=CCOc1cccc2c1ccc(c2)N)C 34a_100000035793_100000761012 [0,1,0,0,0,1|2,0,0]=4 3693 B18R2.4028 CC(=O)CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100000053229 [0,1,0,0,0,1|1,0,0]=3 3694 B18R2.4028 CC(=O)CCOc1cccc2c1ccc(c2)F 7a_100009846233_100000053229 [0,1,0,0,0,1|1,0,0]=3 3695 B18R2.4028 CC(=O)CCOc1cccc2c1ncc(c2)C 7a_100000144662_100000053229 [0,1,0,0,0,1|2,0,0]=4 3696 B18R2.4028 CC(=O)CCOc1cccc2c1ncc(c2)Cl 7a_100009858588_100000053229 [0,1,0,0,0,1|2,0,0]=4 3697 B18R2.4028 CC(=O)OCNc1cccc2c1ccc(c2)Br 34a_100010090037_100009813279 [0,1,0,0,0,1|2,0,0]=4 3698 B18R2.4028 CC(=O)OCNc1cccc2c1ccc(c2)O 34a_100000034668_100009813279 [0,1,0,0,0,1|2,0,0]=4 3699 B18R2.4028 CC(=O)OCOc1cccc2c1ccc(c2)Br 34a_100010202202_100009813279 [0,1,0,0,0,1|1,0,0]=3 3700 B18R2.4028 CC(=O)OCOc1cccc2c1ccc(c2)F 34a_100009846233_100009813279 [0,1,0,0,0,1|1,0,0]=3 3701 B18R2.4028 CC(=O)OCOc1cccc2c1ccc(c2)N 34a_100000035793_100009813279 [0,1,0,0,0,1|1,0,0]=3 3702 B18R2.4028 CC(=O)OCOc1cccc2c1ncc(c2)C 34a_100000144662_100009813279 [0,1,0,0,0,1|2,0,0]=4 3703 B18R2.4028 CC(=O)OCOc1cccc2c1ncc(c2)Cl 34a_100009858588_100009813279 [0,1,0,0,0,1|2,0,0]=4 3704 B18R2.4028 CC(=O)OCOc1ccnc2c1ccc(c2)Cl 34a_100011215206_100009813279 [0,1,0,0,0,1|2,0,0]=4 3705 B18R2.4028 CC(=O)OCOc1ccnc2c1ccc(c2)F 34a_100000004115_100009813279 [0,1,0,0,0,1|2,0,0]=4 3706 B18R2.4028 CC(=O)OCOc1nccc2c1ccc(c2)Br 34a_100000760485_100009813279 [0,1,0,0,0,1|2,0,0]=4 3707 B18R2.4028 CC(O)CCOc1cccc2c1ccc(c2)Br 34a_100010202202_100012276601 [0,1,0,0,0,1|1,0,1]=4 3708 B18R2.4028 CC(O)CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100012276601 [0,1,0,0,0,1|1,0,1]=4 3709 B18R2.4028 CC(O)CCOc1cccc2c1ccc(c2)F 34a_100009846233_100012276601 [0,1,0,0,0,1|1,0,1]=4 3710 B18R2.4028 CC(O)CCOc1cccc2c1ccc(c2)F 7a_100009846233_100012276601 [0,1,0,0,0,1|1,0,1]=4 3711 B18R2.4028 CC(O)CCOc1cccc2c1ccc(c2)N 34a_100000035793_100012276601 [0,1,0,0,0,1|1,0,1]=4 3712 B18R2.4028 Cc1cnc2c(cccc2c1)OCCC(=O)N 34a_100000144662_100000731001 [0,1,0,0,0,1|2,0,0]=4 3713 B18R2.4028 Cc1cnc2c(cccc2c1)OCCC(=O)N 7a_100000144662_100000744528 [0,1,0,0,0,1|2,0,0]=4 3714 B18R2.4028 NC(=O)CCNc1cccc2c1ccc(c2)Br 34a_100010090037_100000731001 [0,1,0,0,0,1|2,0,0]=4 3715 B18R2.4028 NC(=O)CCNc1cccc2c1ccc(c2)O 34a_100000034668_100000731001 [0,1,0,0,0,1|2,0,0]=4 3716 B18R2.4028 NC(=O)CCOc1cccc2c1ccc(c2)Br 34a_100010202202_100000731001 [0,1,0,0,0,1|1,0,0]=3 3717 B18R2.4028 NC(=O)CCOc1cccc2c1ccc(c2)Br 7a_100010202202_100000744528 [0,1,0,0,0,1|1,0,0]=3 3718 B18R2.4028 NC(=O)CCOc1cccc2c1ccc(c2)F 34a_100009846233_100000731001 [0,1,0,0,0,1|1,0,0]=3 3719 B18R2.4028 NC(=O)CCOc1cccc2c1ccc(c2)F 7a_100009846233_100000744528 [0,1,0,0,0,1|1,0,0]=3 3720 B18R2.4028 NC(=O)CCOc1cccc2c1ccc(c2)N 34a_100000035793_100000731001 [0,1,0,0,0,1|1,0,0]=3 3721 B18R2.4028 NC(=O)CCOc1cccc2c1ncc(c2)Cl 34a_100009858588_100000731001 [0,1,0,0,0,1|2,0,0]=4 3722 B18R2.4028 NC(=O)CCOc1cccc2c1ncc(c2)Cl 7a_100009858588_100000744528 [0,1,0,0,0,1|2,0,0]=4 3723 B18R2.4028 NC(=O)CCOc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000731001 [0,1,0,0,0,1|2,0,0]=4 3724 B18R2.4028 NC(=O)CCOc1ccnc2c1ccc(c2)F 34a_100000004115_100000731001 [0,1,0,0,0,1|2,0,0]=4 3725 B18R2.4028 NC(=O)CCOc1nccc2c1ccc(c2)Br 34a_100000760485_100000731001 [0,1,0,0,0,1|2,0,0]=4 3726 B18R2.6165 C=C(C)CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000730704 [0,1,0,0,0,1|2,0,0]=4 3727 B18R2.6165 C=C(C)CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000730704 [0,1,0,0,0,1|2,0,0]=4 3728 B18R2.6165 CC(=CCOc1cc(cc2c1cccc2)Br)C 34a_100010089979_100000761012 [0,1,0,0,0,1|2,0,0]=4 3729 B18R2.6165 CC(=CCOc1cc(cc2c1cccc2)Br)C 7a_100010089979_100000761012 [0,1,0,0,0,1|2,0,0]=4 3730 B18R2.6165 CC(=O)CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000053229 [0,1,0,0,0,1|1,0,0]=3 3731 B18R2.6165 CC(=O)CCOc1cc(cc2c1nccc2)Br 7a_100010248853_100000053229 [0,1,0,0,0,1|2,0,0]=4 3732 B18R2.6165 CC(=O)CCOc1cc(cc2c1nccc2)C 7a_100009888445_100000053229 [0,1,0,0,0,1|2,0,0]=4 3733 B18R2.6165 CC(=O)CCOc1cc(cc2c1nccc2)Cl 7a_200000089624_100000053229 [0,1,0,0,0,1|2,0,0]=4 3734 B18R2.6165 CC(=O)CCSc1cc(cc2c1cccc2)N 62a_100000053229_100010089974 [0,1,0,0,0,1|1,1,0]=4 3735 B18R2.6165 CC(=O)CCSc1cc(cc2c1cccc2)N 62a_100010089974_100000053229 [0,1,0,0,0,1|1,1,0]=4 3736 B18R2.6165 CC(=O)CCSc1cc(cc2c1cccc2)O 62a_100000053229_100010001680 [0,1,0,0,0,1|1,1,0]=4 3737 B18R2.6165 CC(=O)COCc1cc(nc2c1cccc2)C 34a_100000211253_100000755639 [0,1,0,0,0,1|2,0,0]=4 3738 B18R2.6165 CC(=O)OCNc1cc(cc2c1cccc2)Br 34a_100010171453_100009813279 [0,1,0,0,0,1|2,0,0]=4 3739 B18R2.6165 CC(=O)OCOc1cc(cc2c1cccc2)Br 34a_100010089979_100009813279 [0,1,0,0,0,1|1,0,0]=3 3740 B18R2.6165 CC(=O)OCOc1cc(cc2c1nccc2)Br 34a_100010248853_100009813279 [0,1,0,0,0,1|2,0,0]=4 3741 B18R2.6165 CC(=O)OCOc1cc(cc2c1nccc2)C 34a_100009888445_100009813279 [0,1,0,0,0,1|2,0,0]=4 3742 B18R2.6165 CC(=O)OCOc1cc(cc2c1nccc2)Cl 34a_200000089624_100009813279 [0,1,0,0,0,1|2,0,0]=4 3743 B18R2.6165 CC(=O)OCOc1cc(nc2c1cccc2)C 34a_100000698765_100009813279 [0,1,0,0,0,1|2,0,0]=4 3744 B18R2.6165 CC(=O)OCSc1cc(cc2c1cccc2)N 62a_100000076356_100010089974 [0,1,0,0,0,1|1,1,0]=4 3745 B18R2.6165 CC(=O)OCSc1cc(cc2c1cccc2)N 62a_100010089974_100000076356 [0,1,0,0,0,1|1,1,0]=4 3746 B18R2.6165 CC(=O)OCSc1cc(cc2c1cccc2)O 62a_100000076356_100010001680 [0,1,0,0,0,1|1,1,0]=4 3747 B18R2.6165 CC(O)CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100012276601 [0,1,0,0,0,1|1,0,1]=4 3748 B18R2.6165 CC(O)CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100012276601 [0,1,0,0,0,1|1,0,1]=4 3749 B18R2.6165 Cc1cc(c2ccccc2n1)COCC(=O)N 34a_100000745220_100000187820 [0,1,0,0,0,1|2,0,0]=4 3750 B18R2.6165 Cc1cc(c2ccccc2n1)COCC(=O)[O-] 34a_100000745220_100020667443 [0,1,0,0,0,1|1,0,1]=4 3751 B18R2.6165 Cc1cc(c2ccccc2n1)OCCC(=O)N 34a_100000698765_100000731001 [0,1,0,0,0,1|2,0,0]=4 3752 B18R2.6165 Cc1cc(c2ncccc2c1)OCCC(=O)N 34a_100009888445_100000731001 [0,1,0,0,0,1|2,0,0]=4 3753 B18R2.6165 Cc1cc(c2ncccc2c1)OCCC(=O)N 7a_100009888445_100000744528 [0,1,0,0,0,1|2,0,0]=4 3754 B18R2.6165 NC(=O)CCNc1cc(cc2c1cccc2)Br 34a_100010171453_100000731001 [0,1,0,0,0,1|2,0,0]=4 3755 B18R2.6165 NC(=O)CCOc1cc(cc2c1cccc2)Br 34a_100010089979_100000731001 [0,1,0,0,0,1|1,0,0]=3 3756 B18R2.6165 NC(=O)CCOc1cc(cc2c1cccc2)Br 7a_100010089979_100000744528 [0,1,0,0,0,1|1,0,0]=3 3757 B18R2.6165 NC(=O)CCOc1cc(cc2c1nccc2)Br 34a_100010248853_100000731001 [0,1,0,0,0,1|2,0,0]=4 3758 B18R2.6165 NC(=O)CCOc1cc(cc2c1nccc2)Br 7a_100010248853_100000744528 [0,1,0,0,0,1|2,0,0]=4 3759 B18R2.6165 NC(=O)CCOc1cc(cc2c1nccc2)Cl 34a_200000089624_100000731001 [0,1,0,0,0,1|2,0,0]=4 3760 B18R2.6165 NC(=O)CCOc1cc(cc2c1nccc2)Cl 7a_200000089624_100000744528 [0,1,0,0,0,1|2,0,0]=4 3761 B18R2.6165 NC(=O)CCSc1cc(cc2c1cccc2)N 62a_100000744528_100010089974 [0,1,0,0,0,1|1,1,0]=4 3762 B18R2.6165 NC(=O)CCSc1cc(cc2c1cccc2)N 62a_100010089974_100000744528 [0,1,0,0,0,1|1,1,0]=4 3763 B18R2.6165 NC(=O)CCSc1cc(cc2c1cccc2)O 62a_100000744528_100010001680 [0,1,0,0,0,1|1,1,0]=4 3764 B18R2.6165 O=C(O)CNCc1cc(nc2c1cccc2)Cl 269956a_100016091260_200010137201 [0,1,0,0,0,1|2,0,0]=4 3765 B18R2.6165 O=C(O)CNCc1cc(nc2c1cccc2)O 269956a_100016091260_100000187625 [0,1,0,0,0,1|2,0,0]=4 3766 B18R2.6573 C=C(C)CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000730704 [0,1,0,0,0,1|2,0,0]=4 3767 B18R2.6573 C=C(C)CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000730704 [0,1,0,0,0,1|2,0,0]=4 3768 B18R2.6573 C=C(C)CCOc1c(ccc2c1cccc2)C 34a_100000039261_100000730704 [0,1,0,0,0,1|2,0,0]=4 3769 B18R2.6573 C=C(C)CCOc1c(ccc2c1cccc2)C 7a_100000039261_100000730704 [0,1,0,0,0,1|2,0,0]=4 3770 B18R2.6573 C=C(C)CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000730704 [0,1,0,0,0,1|2,0,0]=4 3771 B18R2.6573 C=C(C)COCc1c(ccc2c1cccc2)C 34a_100000210245_100000689653 [0,1,0,0,0,1|2,0,0]=4 3772 B18R2.6573 C=C(F)COCc1c(ccc2c1cccc2)C 34a_200010262243_100000689653 [0,1,0,0,0,1|2,0,0]=4 3773 B18R2.6573 CC(=CCOc1c(ccc2c1cccc2)Br)C 34a_100009996032_100000761012 [0,1,0,0,0,1|2,0,0]=4 3774 B18R2.6573 CC(=CCOc1c(ccc2c1cccc2)Br)C 7a_100009996032_100000761012 [0,1,0,0,0,1|2,0,0]=4 3775 B18R2.6573 CC(=CCOc1c(ccc2c1cccc2)C)C 34a_100000039261_100000761012 [0,1,0,0,0,1|2,0,0]=4 3776 B18R2.6573 CC(=CCOc1c(ccc2c1cccc2)C)C 7a_100000039261_100000761012 [0,1,0,0,0,1|2,0,0]=4 3777 B18R2.6573 CC(=CCOc1c(ccc2c1cccc2)N)C 34a_100000007060_100000761012 [0,1,0,0,0,1|2,0,0]=4 3778 B18R2.6573 CC(=O)CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000053229 [0,1,0,0,0,1|1,0,0]=3 3779 B18R2.6573 CC(=O)CCOc1c(ccc2c1cccc2)C 7a_100000039261_100000053229 [0,1,0,0,0,1|1,0,0]=3 3780 B18R2.6573 CC(=O)CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100000053229 [0,1,0,0,0,1|2,0,0]=4 3781 B18R2.6573 CC(=O)CCSc1c(ccc2c1cccc2)Br 62a_100000053229_100010090040 [0,1,0,0,0,1|1,1,0]=4 3782 B18R2.6573 CC(=O)CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000053229 [0,1,0,0,0,1|1,1,0]=4 3783 B18R2.6573 CC(=O)CCSc1c(ccc2c1cccc2)C 62a_100000053229_100000759710 [0,1,0,0,0,1|1,1,0]=4 3784 B18R2.6573 CC(=O)CCSc1c(ccc2c1cccc2)C 62a_100000759710_100000053229 [0,1,0,0,0,1|1,1,0]=4 3785 B18R2.6573 CC(=O)CCSc1c(ccc2c1cccc2)N 62a_100000053229_100000705303 [0,1,0,0,0,1|1,1,0]=4 3786 B18R2.6573 CC(=O)CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000053229 [0,1,0,0,0,1|1,1,0]=4 3787 B18R2.6573 CC(=O)CCSc1c(ccc2c1cccc2)O 62a_100000053229_100000183829 [0,1,0,0,0,1|1,1,0]=4 3788 B18R2.6573 CC(=O)COCc1c(ccc2c1cccc2)C 34a_100000211253_100000689653 [0,1,0,0,0,1|1,0,0]=3 3789 B18R2.6573 CC(=O)OCNc1c(ccc2c1cccc2)Br 34a_100009817101_100009813279 [0,1,0,0,0,1|2,0,0]=4 3790 B18R2.6573 CC(=O)OCNc1c(ccc2c1cccc2)C 34a_100000688109_100009813279 [0,1,0,0,0,1|2,0,0]=4 3791 B18R2.6573 CC(=O)OCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100009813279 [0,1,0,0,0,1|2,0,0]=4 3792 B18R2.6573 CC(=O)OCNc1c(ccc2c1cccc2)O 34a_100000007056_100009813279 [0,1,0,0,0,1|2,0,0]=4 3793 B18R2.6573 CC(=O)OCOc1c(ccc2c1cccc2)Br 34a_100009996032_100009813279 [0,1,0,0,0,1|1,0,0]=3 3794 B18R2.6573 CC(=O)OCOc1c(ccc2c1cccc2)C 34a_100000039261_100009813279 [0,1,0,0,0,1|1,0,0]=3 3795 B18R2.6573 CC(=O)OCOc1c(ccc2c1cccc2)N 34a_100000007060_100009813279 [0,1,0,0,0,1|1,0,0]=3 3796 B18R2.6573 CC(=O)OCOc1c(ccc2c1nccc2)Br 34a_100009816563_100009813279 [0,1,0,0,0,1|2,0,0]=4 3797 B18R2.6573 CC(=O)OCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100009813279 [0,1,0,0,0,1|2,0,0]=4 3798 B18R2.6573 CC(=O)OCSc1c(ccc2c1cccc2)Br 62a_100000076356_100010090040 [0,1,0,0,0,1|1,1,0]=4 3799 B18R2.6573 CC(=O)OCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000076356 [0,1,0,0,0,1|1,1,0]=4 3800 B18R2.6573 CC(=O)OCSc1c(ccc2c1cccc2)C 62a_100000076356_100000759710 [0,1,0,0,0,1|1,1,0]=4 3801 B18R2.6573 CC(=O)OCSc1c(ccc2c1cccc2)C 62a_100000759710_100000076356 [0,1,0,0,0,1|1,1,0]=4 3802 B18R2.6573 CC(=O)OCSc1c(ccc2c1cccc2)N 62a_100000076356_100000705303 [0,1,0,0,0,1|1,1,0]=4 3803 B18R2.6573 CC(=O)OCSc1c(ccc2c1cccc2)N 62a_100000705303_100000076356 [0,1,0,0,0,1|1,1,0]=4 3804 B18R2.6573 CC(=O)OCSc1c(ccc2c1cccc2)O 62a_100000076356_100000183829 [0,1,0,0,0,1|1,1,0]=4 3805 B18R2.6573 CC(O)CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100012276601 [0,1,0,0,0,1|1,0,1]=4 3806 B18R2.6573 CC(O)CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100012276601 [0,1,0,0,0,1|1,0,1]=4 3807 B18R2.6573 CC(O)CCOc1c(ccc2c1cccc2)N 34a_100000007060_100012276601 [0,1,0,0,0,1|1,0,1]=4 3808 B18R2.6573 Cc1ccc2ccccc2c1CNCC(=O)N 2230a_100000711301_100000689653 [0,1,0,0,0,1|2,0,0]=4 3809 B18R2.6573 Cc1ccc2ccccc2c1CNCC(=O)O 269956a_100016091260_100000689653 [0,1,0,0,0,1|1,0,0]=3 3810 B18R2.6573 Cc1ccc2ccccc2c1CSCC(=O)N 62a_100000689653_100000747473 [0,1,0,0,0,1|1,1,0]=4 3811 B18R2.6573 Cc1ccc2ccccc2c1CSCC(=O)N 62a_100000747473_100000689653 [0,1,0,0,0,1|1,1,0]=4 3812 B18R2.6573 Cc1ccc2ccccc2c1CSCC(=O)[O-] 62a_100000689653_100020667443 [0,1,0,0,0,1|0,1,1]=4 3813 B18R2.6573 Cc1ccc2ccccc2c1CSCC(=O)[O-] 62a_100020667443_100000689653 [0,1,0,0,0,1|0,1,1]=4 3814 B18R2.6573 Cc1ccc2ccccc2c1NCCC(=O)N 34a_100000688109_100000731001 [0,1,0,0,0,1|2,0,0]=4 3815 B18R2.6573 Cc1ccc2ccccc2c1OCCC(=O)N 34a_100000039261_100000731001 [0,1,0,0,0,1|1,0,0]=3 3816 B18R2.6573 Cc1ccc2ccccc2c1OCCC(=O)N 7a_100000039261_100000744528 [0,1,0,0,0,1|1,0,0]=3 3817 B18R2.6573 Cc1ccc2ccccc2c1OCCC(C)O 34a_100000039261_100012276601 [0,1,0,0,0,1|1,0,1]=4 3818 B18R2.6573 Cc1ccc2ccccc2c1OCCC(C)O 7a_100000039261_100012276601 [0,1,0,0,0,1|1,0,1]=4 3819 B18R2.6573 Cc1ccc2ccccc2c1SCCC(=O)N 62a_100000744528_100000759710 [0,1,0,0,0,1|1,1,0]=4 3820 B18R2.6573 Cc1ccc2ccccc2c1SCCC(=O)N 62a_100000759710_100000744528 [0,1,0,0,0,1|1,1,0]=4 3821 B18R2.6573 NC(=O)CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000731001 [0,1,0,0,0,1|2,0,0]=4 3822 B18R2.6573 NC(=O)CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000731001 [0,1,0,0,0,1|2,0,0]=4 3823 B18R2.6573 NC(=O)CCNc1c(ccc2c1cccc2)O 34a_100000007056_100000731001 [0,1,0,0,0,1|2,0,0]=4 3824 B18R2.6573 NC(=O)CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000731001 [0,1,0,0,0,1|1,0,0]=3 3825 B18R2.6573 NC(=O)CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000744528 [0,1,0,0,0,1|1,0,0]=3 3826 B18R2.6573 NC(=O)CCOc1c(ccc2c1cccc2)N 34a_100000007060_100000731001 [0,1,0,0,0,1|1,0,0]=3 3827 B18R2.6573 NC(=O)CCOc1c(ccc2c1nccc2)Br 34a_100009816563_100000731001 [0,1,0,0,0,1|2,0,0]=4 3828 B18R2.6573 NC(=O)CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100000731001 [0,1,0,0,0,1|2,0,0]=4 3829 B18R2.6573 NC(=O)CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100000744528 [0,1,0,0,0,1|2,0,0]=4 3830 B18R2.6573 NC(=O)CCSc1c(ccc2c1cccc2)Br 62a_100000744528_100010090040 [0,1,0,0,0,1|1,1,0]=4 3831 B18R2.6573 NC(=O)CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000744528 [0,1,0,0,0,1|1,1,0]=4 3832 B18R2.6573 NC(=O)CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000744528 [0,1,0,0,0,1|1,1,0]=4 3833 B18R2.6573 NC(=O)CCSc1c(ccc2c1cccc2)N 62a_100000744528_100000705303 [0,1,0,0,0,1|1,1,0]=4 3834 B18R2.6573 NC(=O)CCSc1c(ccc2c1cccc2)O 62a_100000744528_100000183829 [0,1,0,0,0,1|1,1,0]=4 3835 B18R2.6573 NC(=O)COCc1c(ccc2c1nccc2)Cl 34a_100000698065_100000187820 [0,1,0,0,0,1|2,0,0]=4 3836 B18R2.6573 O=C([O-])COCc1c(ccc2c1nccc2)Cl 34a_100000698065_100020667443 [0,1,0,0,0,1|1,0,1]=4 3837 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)Br 34a_100010089991_100000730704 [0,1,0,0,0,1|2,0,0]=4 3838 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)Br 7a_100010089991_100000730704 [0,1,0,0,0,1|2,0,0]=4 3839 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)C 34a_100000040781_100000730704 [0,1,0,0,0,1|2,0,0]=4 3840 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)C 7a_100000040781_100000730704 [0,1,0,0,0,1|2,0,0]=4 3841 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100000730704 [0,1,0,0,0,1|2,0,0]=4 3842 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100000730704 [0,1,0,0,0,1|2,0,0]=4 3843 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)F 34a_100009881884_100000730704 [0,1,0,0,0,1|2,0,0]=4 3844 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)F 7a_100009881884_100000730704 [0,1,0,0,0,1|2,0,0]=4 3845 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)N 34a_100132313934_100000730704 [0,1,0,0,0,1|2,0,0]=4 3846 B18R2.31660 C=C(C)CCOc1cccc2c1cc(cc2)N 7a_100132313934_100000730704 [0,1,0,0,0,1|2,0,0]=4 3847 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)Br)C 34a_100010089991_100000761012 [0,1,0,0,0,1|2,0,0]=4 3848 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)Br)C 7a_100010089991_100000761012 [0,1,0,0,0,1|2,0,0]=4 3849 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)C)C 34a_100000040781_100000761012 [0,1,0,0,0,1|2,0,0]=4 3850 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)C)C 7a_100000040781_100000761012 [0,1,0,0,0,1|2,0,0]=4 3851 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)Cl)C 34a_100009840344_100000761012 [0,1,0,0,0,1|2,0,0]=4 3852 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)Cl)C 7a_100009840344_100000761012 [0,1,0,0,0,1|2,0,0]=4 3853 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)F)C 34a_100009881884_100000761012 [0,1,0,0,0,1|2,0,0]=4 3854 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)F)C 7a_100009881884_100000761012 [0,1,0,0,0,1|2,0,0]=4 3855 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)N)C 34a_100132313934_100000761012 [0,1,0,0,0,1|2,0,0]=4 3856 B18R2.31660 CC(=CCOc1cccc2c1cc(cc2)N)C 7a_100132313934_100000761012 [0,1,0,0,0,1|2,0,0]=4 3857 B18R2.31660 CC(=O)CCOc1cccc2c1cc(cc2)Br 7a_100010089991_100000053229 [0,1,0,0,0,1|1,0,0]=3 3858 B18R2.31660 CC(=O)CCOc1cccc2c1cc(cc2)C 7a_100000040781_100000053229 [0,1,0,0,0,1|1,0,0]=3 3859 B18R2.31660 CC(=O)CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100000053229 [0,1,0,0,0,1|1,0,0]=3 3860 B18R2.31660 CC(=O)CCOc1cccc2c1cc(cc2)F 7a_100009881884_100000053229 [0,1,0,0,0,1|1,0,0]=3 3861 B18R2.31660 CC(=O)CCOc1cccc2c1cc(cc2)N 7a_100132313934_100000053229 [0,1,0,0,0,1|1,0,0]=3 3862 B18R2.31660 CC(=O)CCOc1cccc2c1cc(cn2)Br 7a_200010153752_100000053229 [0,1,0,0,0,1|2,0,0]=4 3863 B18R2.31660 CC(=O)CCOc1cccc2c1nc(cc2)Br 7a_100010153751_100000053229 [0,1,0,0,0,1|2,0,0]=4 3864 B18R2.31660 CC(=O)CCOc1cccc2c1nc(cc2)C 7a_100000184714_100000053229 [0,1,0,0,0,1|2,0,0]=4 3865 B18R2.31660 CC(=O)CCOc1cccc2c1nc(cc2)Cl 7a_100000013812_100000053229 [0,1,0,0,0,1|2,0,0]=4 3866 B18R2.31660 CC(=O)CCOc1cccc2c1nc(cc2)N 7a_100000032106_100000053229 [0,1,0,0,0,1|2,0,0]=4 3867 B18R2.31660 CC(=O)CCOc1cncc2c1cc(cc2)Br 7a_100010136424_100000053229 [0,1,0,0,0,1|2,0,0]=4 3868 B18R2.31660 CC(=O)CCSc1cccc2c1cc(cc2)O 62a_100000053229_100010169565 [0,1,0,0,0,1|1,1,0]=4 3869 B18R2.31660 CC(=O)OCNc1cccc2c1cc(cc2)Br 34a_100010090012_100009813279 [0,1,0,0,0,1|2,0,0]=4 3870 B18R2.31660 CC(=O)OCNc1cccc2c1cc(cc2)O 34a_100000034012_100009813279 [0,1,0,0,0,1|2,0,0]=4 3871 B18R2.31660 CC(=O)OCOc1cccc2c1cc(cc2)Br 34a_100010089991_100009813279 [0,1,0,0,0,1|1,0,0]=3 3872 B18R2.31660 CC(=O)OCOc1cccc2c1cc(cc2)C 34a_100000040781_100009813279 [0,1,0,0,0,1|1,0,0]=3 3873 B18R2.31660 CC(=O)OCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100009813279 [0,1,0,0,0,1|1,0,0]=3 3874 B18R2.31660 CC(=O)OCOc1cccc2c1cc(cc2)F 34a_100009881884_100009813279 [0,1,0,0,0,1|1,0,0]=3 3875 B18R2.31660 CC(=O)OCOc1cccc2c1cc(cc2)N 34a_100132313934_100009813279 [0,1,0,0,0,1|1,0,0]=3 3876 B18R2.31660 CC(=O)OCOc1cccc2c1cc(cn2)Br 34a_200010153752_100009813279 [0,1,0,0,0,1|2,0,0]=4 3877 B18R2.31660 CC(=O)OCOc1cccc2c1cc(cn2)N 34a_100009853962_100009813279 [0,1,0,0,0,1|2,0,0]=4 3878 B18R2.31660 CC(=O)OCOc1cccc2c1nc(cc2)Br 34a_100010153751_100009813279 [0,1,0,0,0,1|2,0,0]=4 3879 B18R2.31660 CC(=O)OCOc1cccc2c1nc(cc2)C 34a_100000184714_100009813279 [0,1,0,0,0,1|2,0,0]=4 3880 B18R2.31660 CC(=O)OCOc1cccc2c1nc(cc2)Cl 34a_100000013812_100009813279 [0,1,0,0,0,1|2,0,0]=4 3881 B18R2.31660 CC(=O)OCOc1cccc2c1nc(cc2)N 34a_100000032106_100009813279 [0,1,0,0,0,1|2,0,0]=4 3882 B18R2.31660 CC(=O)OCOc1ccnc2c1cc(cc2)C 34a_200011310529_100009813279 [0,1,0,0,0,1|2,0,0]=4 3883 B18R2.31660 CC(=O)OCOc1ccnc2c1cc(cc2)F 34a_100000004104_100009813279 [0,1,0,0,0,1|2,0,0]=4 3884 B18R2.31660 CC(=O)OCOc1cncc2c1cc(cc2)Br 34a_100010136424_100009813279 [0,1,0,0,0,1|2,0,0]=4 3885 B18R2.31660 CC(=O)OCOc1nccc2c1cc(cc2)Br 34a_100000010956_100009813279 [0,1,0,0,0,1|2,0,0]=4 3886 B18R2.31660 CC(=O)OCOc1nccc2c1cc(cc2)Cl 34a_100000005406_100009813279 [0,1,0,0,0,1|2,0,0]=4 3887 B18R2.31660 CC(=O)OCSc1cccc2c1cc(cc2)O 62a_100000076356_100010169565 [0,1,0,0,0,1|1,1,0]=4 3888 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)Br 34a_100010089991_100012276601 [0,1,0,0,0,1|1,0,1]=4 3889 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)Br 7a_100010089991_100012276601 [0,1,0,0,0,1|1,0,1]=4 3890 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100012276601 [0,1,0,0,0,1|1,0,1]=4 3891 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100012276601 [0,1,0,0,0,1|1,0,1]=4 3892 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)F 34a_100009881884_100012276601 [0,1,0,0,0,1|1,0,1]=4 3893 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)F 7a_100009881884_100012276601 [0,1,0,0,0,1|1,0,1]=4 3894 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)N 34a_100132313934_100012276601 [0,1,0,0,0,1|1,0,1]=4 3895 B18R2.31660 CC(O)CCOc1cccc2c1cc(cc2)N 7a_100132313934_100012276601 [0,1,0,0,0,1|1,0,1]=4 3896 B18R2.31660 Cc1ccc2cccc(c2c1)OCCC(=O)N 34a_100000040781_100000731001 [0,1,0,0,0,1|1,0,0]=3 3897 B18R2.31660 Cc1ccc2cccc(c2c1)OCCC(=O)N 7a_100000040781_100000744528 [0,1,0,0,0,1|1,0,0]=3 3898 B18R2.31660 Cc1ccc2cccc(c2c1)OCCC(C)O 34a_100000040781_100012276601 [0,1,0,0,0,1|1,0,1]=4 3899 B18R2.31660 Cc1ccc2cccc(c2c1)OCCC(C)O 7a_100000040781_100012276601 [0,1,0,0,0,1|1,0,1]=4 3900 B18R2.31660 Cc1ccc2cccc(c2n1)OCCC(=O)N 34a_100000184714_100000731001 [0,1,0,0,0,1|2,0,0]=4 3901 B18R2.31660 Cc1ccc2cccc(c2n1)OCCC(=O)N 7a_100000184714_100000744528 [0,1,0,0,0,1|2,0,0]=4 3902 B18R2.31660 Cc1ccc2nccc(c2c1)OCCC(=O)N 34a_200011310529_100000731001 [0,1,0,0,0,1|2,0,0]=4 3903 B18R2.31660 NC(=O)CCNc1cccc2c1cc(cc2)Br 34a_100010090012_100000731001 [0,1,0,0,0,1|2,0,0]=4 3904 B18R2.31660 NC(=O)CCNc1cccc2c1cc(cc2)O 34a_100000034012_100000731001 [0,1,0,0,0,1|2,0,0]=4 3905 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)Br 34a_100010089991_100000731001 [0,1,0,0,0,1|1,0,0]=3 3906 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)Br 7a_100010089991_100000744528 [0,1,0,0,0,1|1,0,0]=3 3907 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)Cl 34a_100009840344_100000731001 [0,1,0,0,0,1|1,0,0]=3 3908 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)Cl 7a_100009840344_100000744528 [0,1,0,0,0,1|1,0,0]=3 3909 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)F 34a_100009881884_100000731001 [0,1,0,0,0,1|1,0,0]=3 3910 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)F 7a_100009881884_100000744528 [0,1,0,0,0,1|1,0,0]=3 3911 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)N 34a_100132313934_100000731001 [0,1,0,0,0,1|1,0,0]=3 3912 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cc2)N 7a_100132313934_100000744528 [0,1,0,0,0,1|1,0,0]=3 3913 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cn2)Br 34a_200010153752_100000731001 [0,1,0,0,0,1|2,0,0]=4 3914 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cn2)Br 7a_200010153752_100000744528 [0,1,0,0,0,1|2,0,0]=4 3915 B18R2.31660 NC(=O)CCOc1cccc2c1cc(cn2)N 34a_100009853962_100000731001 [0,1,0,0,0,1|2,0,0]=4 3916 B18R2.31660 NC(=O)CCOc1cccc2c1nc(cc2)Br 34a_100010153751_100000731001 [0,1,0,0,0,1|2,0,0]=4 3917 B18R2.31660 NC(=O)CCOc1cccc2c1nc(cc2)Br 7a_100010153751_100000744528 [0,1,0,0,0,1|2,0,0]=4 3918 B18R2.31660 NC(=O)CCOc1cccc2c1nc(cc2)Cl 34a_100000013812_100000731001 [0,1,0,0,0,1|2,0,0]=4 3919 B18R2.31660 NC(=O)CCOc1cccc2c1nc(cc2)Cl 7a_100000013812_100000744528 [0,1,0,0,0,1|2,0,0]=4 3920 B18R2.31660 NC(=O)CCOc1cccc2c1nc(cc2)N 34a_100000032106_100000731001 [0,1,0,0,0,1|2,0,0]=4 3921 B18R2.31660 NC(=O)CCOc1cccc2c1nc(cc2)N 7a_100000032106_100000744528 [0,1,0,0,0,1|2,0,0]=4 3922 B18R2.31660 NC(=O)CCOc1ccnc2c1cc(cc2)F 34a_100000004104_100000731001 [0,1,0,0,0,1|2,0,0]=4 3923 B18R2.31660 NC(=O)CCOc1cncc2c1cc(cc2)Br 34a_100010136424_100000731001 [0,1,0,0,0,1|2,0,0]=4 3924 B18R2.31660 NC(=O)CCOc1cncc2c1cc(cc2)Br 7a_100010136424_100000744528 [0,1,0,0,0,1|2,0,0]=4 3925 B18R2.31660 NC(=O)CCOc1nccc2c1cc(cc2)Br 34a_100000010956_100000731001 [0,1,0,0,0,1|2,0,0]=4 3926 B18R2.31660 NC(=O)CCOc1nccc2c1cc(cc2)Cl 34a_100000005406_100000731001 [0,1,0,0,0,1|2,0,0]=4 3927 B18R2.31660 NC(=O)CCSc1cccc2c1cc(cc2)O 62a_100000744528_100010169565 [0,1,0,0,0,1|1,1,0]=4 3928 B18R2.59629 C=C(C)CCOc1cccc2c1cccc2Br 34a_100010003857_100000730704 [0,1,0,0,0,1|2,0,0]=4 3929 B18R2.59629 C=C(C)CCOc1cccc2c1cccc2Br 7a_100010003857_100000730704 [0,1,0,0,0,1|2,0,0]=4 3930 B18R2.59629 C=C(C)CCOc1cccc2c1cccc2N 34a_100000210686_100000730704 [0,1,0,0,0,1|2,0,0]=4 3931 B18R2.59629 CC(=CCOc1cccc2c1cccc2Br)C 34a_100010003857_100000761012 [0,1,0,0,0,1|2,0,0]=4 3932 B18R2.59629 CC(=CCOc1cccc2c1cccc2Br)C 7a_100010003857_100000761012 [0,1,0,0,0,1|2,0,0]=4 3933 B18R2.59629 CC(=CCOc1cccc2c1cccc2N)C 34a_100000210686_100000761012 [0,1,0,0,0,1|2,0,0]=4 3934 B18R2.59629 CC(=O)CCOc1cccc2c1cccc2Br 7a_100010003857_100000053229 [0,1,0,0,0,1|1,0,0]=3 3935 B18R2.59629 CC(=O)CCOc1cccc2c1nccc2Br 7a_100000703299_100000053229 [0,1,0,0,0,1|2,0,0]=4 3936 B18R2.59629 CC(=O)CCOc1cccc2c1nccc2C 7a_100000702989_100000053229 [0,1,0,0,0,1|2,0,0]=4 3937 B18R2.59629 CC(=O)CCSc1cccc2c1cccc2F 62a_100000053229_100009817034 [0,1,0,0,0,1|1,1,0]=4 3938 B18R2.59629 CC(=O)CCSc1cccc2c1cccc2F 62a_100009817034_100000053229 [0,1,0,0,0,1|1,1,0]=4 3939 B18R2.59629 CC(=O)CCSc1cccc2c1cccc2N 62a_100009816864_100000053229 [0,1,0,0,0,1|1,1,0]=4 3940 B18R2.59629 CC(=O)CCSc1cccc2c1cccc2O 62a_100000053229_100010003857 [0,1,0,0,0,1|1,1,0]=4 3941 B18R2.59629 CC(=O)OCNc1cccc2c1cccc2Br 34a_100009816864_100009813279 [0,1,0,0,0,1|2,0,0]=4 3942 B18R2.59629 CC(=O)OCNc1cccc2c1cccc2Cl 34a_100000077128_100009813279 [0,1,0,0,0,1|2,0,0]=4 3943 B18R2.59629 CC(=O)OCNc1cccc2c1cccc2O 34a_100000210686_100009813279 [0,1,0,0,0,1|2,0,0]=4 3944 B18R2.59629 CC(=O)OCOc1cccc2c1cccc2Br 34a_100010003857_100009813279 [0,1,0,0,0,1|1,0,0]=3 3945 B18R2.59629 CC(=O)OCOc1cccc2c1cccc2N 34a_100000210686_100009813279 [0,1,0,0,0,1|1,0,0]=3 3946 B18R2.59629 CC(=O)OCOc1cccc2c1nccc2Br 34a_100000703299_100009813279 [0,1,0,0,0,1|2,0,0]=4 3947 B18R2.59629 CC(=O)OCOc1ccnc2c1cccc2F 34a_100000709910_100009813279 [0,1,0,0,0,1|2,0,0]=4 3948 B18R2.59629 CC(=O)OCSc1cccc2c1cccc2F 62a_100000076356_100009817034 [0,1,0,0,0,1|1,1,0]=4 3949 B18R2.59629 CC(=O)OCSc1cccc2c1cccc2F 62a_100009817034_100000076356 [0,1,0,0,0,1|1,1,0]=4 3950 B18R2.59629 CC(=O)OCSc1cccc2c1cccc2N 62a_100009816864_100000076356 [0,1,0,0,0,1|1,1,0]=4 3951 B18R2.59629 CC(=O)OCSc1cccc2c1cccc2O 62a_100000076356_100010003857 [0,1,0,0,0,1|1,1,0]=4 3952 B18R2.59629 CC(O)CCOc1cccc2c1cccc2Br 34a_100010003857_100012276601 [0,1,0,0,0,1|1,0,1]=4 3953 B18R2.59629 CC(O)CCOc1cccc2c1cccc2Br 7a_100010003857_100012276601 [0,1,0,0,0,1|1,0,1]=4 3954 B18R2.59629 CC(O)CCOc1cccc2c1cccc2N 34a_100000210686_100012276601 [0,1,0,0,0,1|1,0,1]=4 3955 B18R2.59629 Cc1ccnc2c1cccc2OCCC(=O)N 7a_100000702989_100000744528 [0,1,0,0,0,1|2,0,0]=4 3956 B18R2.59629 NC(=O)CCNc1cccc2c1cccc2Br 34a_100009816864_100000731001 [0,1,0,0,0,1|2,0,0]=4 3957 B18R2.59629 NC(=O)CCNc1cccc2c1cccc2Cl 34a_100000077128_100000731001 [0,1,0,0,0,1|2,0,0]=4 3958 B18R2.59629 NC(=O)CCNc1cccc2c1cccc2O 34a_100000210686_100000731001 [0,1,0,0,0,1|2,0,0]=4 3959 B18R2.59629 NC(=O)CCOc1cccc2c1cccc2Br 34a_100010003857_100000731001 [0,1,0,0,0,1|1,0,0]=3 3960 B18R2.59629 NC(=O)CCOc1cccc2c1cccc2Br 7a_100010003857_100000744528 [0,1,0,0,0,1|1,0,0]=3 3961 B18R2.59629 NC(=O)CCOc1cccc2c1cccc2N 34a_100000210686_100000731001 [0,1,0,0,0,1|1,0,0]=3 3962 B18R2.59629 NC(=O)CCOc1cccc2c1nccc2Br 34a_100000703299_100000731001 [0,1,0,0,0,1|2,0,0]=4 3963 B18R2.59629 NC(=O)CCOc1cccc2c1nccc2Br 7a_100000703299_100000744528 [0,1,0,0,0,1|2,0,0]=4 3964 B18R2.59629 NC(=O)CCOc1ccnc2c1cccc2F 34a_100000709910_100000731001 [0,1,0,0,0,1|2,0,0]=4 3965 B18R2.59629 NC(=O)CCSc1cccc2c1cccc2F 62a_100000744528_100009817034 [0,1,0,0,0,1|1,1,0]=4 3966 B18R2.59629 NC(=O)CCSc1cccc2c1cccc2F 62a_100009817034_100000744528 [0,1,0,0,0,1|1,1,0]=4 3967 B18R2.59629 NC(=O)CCSc1cccc2c1cccc2N 62a_100009816864_100000744528 [0,1,0,0,0,1|1,1,0]=4 3968 B18R2.59629 NC(=O)CCSc1cccc2c1cccc2O 62a_100000744528_100010003857 [0,1,0,0,0,1|1,1,0]=4 3969 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000730704 [0,1,0,0,0,1|2,0,0]=4 3970 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000730704 [0,1,0,0,0,1|2,0,0]=4 3971 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)C 34a_100000074455_100000730704 [0,1,0,0,0,1|2,0,0]=4 3972 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)C 7a_100000074455_100000730704 [0,1,0,0,0,1|2,0,0]=4 3973 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000730704 [0,1,0,0,0,1|2,0,0]=4 3974 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000730704 [0,1,0,0,0,1|2,0,0]=4 3975 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)F 34a_100000100223_100000730704 [0,1,0,0,0,1|2,0,0]=4 3976 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)F 7a_100000100223_100000730704 [0,1,0,0,0,1|2,0,0]=4 3977 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)N 34a_100000705857_100000730704 [0,1,0,0,0,1|2,0,0]=4 3978 B18R2.62417 C=C(C)CCOc1ccc(c2c1cccc2)N 7a_100000705857_100000730704 [0,1,0,0,0,1|2,0,0]=4 3979 B18R2.62417 C=C(C)COCc1ccc(c2c1cccc2)Br 34a_100000210245_100012352185 [0,1,0,0,0,1|2,0,0]=4 3980 B18R2.62417 C=C(C)COCc1ccc(c2c1cccc2)C 34a_100000210245_100012073487 [0,1,0,0,0,1|2,0,0]=4 3981 B18R2.62417 C=C(C)COCc1ccc(c2c1cccc2)C 34a_200011995996_100000748629 [0,1,0,0,0,1|2,0,0]=4 3982 B18R2.62417 C=C(C)COCc1ccc(c2c1cccc2)C 7a_200011995996_100000748629 [0,1,0,0,0,1|2,0,0]=4 3983 B18R2.62417 C=C(C)COCc1ccc(c2c1cccc2)F 34a_100000210245_100011988723 [0,1,0,0,0,1|2,0,0]=4 3984 B18R2.62417 C=C(C)COCc1ccc(c2c1cccc2)F 34a_100011988714_100000748629 [0,1,0,0,0,1|2,0,0]=4 3985 B18R2.62417 C=C(C)COCc1ccc(c2c1cccc2)F 7a_100011988714_100000748629 [0,1,0,0,0,1|2,0,0]=4 3986 B18R2.62417 C=C(F)COCc1ccc(c2c1cccc2)Br 34a_200010262243_100012352185 [0,1,0,0,0,1|2,0,0]=4 3987 B18R2.62417 C=C(F)COCc1ccc(c2c1cccc2)C 34a_200010262243_100012073487 [0,1,0,0,0,1|2,0,0]=4 3988 B18R2.62417 C=C(F)COCc1ccc(c2c1cccc2)C 34a_200011995996_100009893438 [0,1,0,0,0,1|2,0,0]=4 3989 B18R2.62417 C=C(F)COCc1ccc(c2c1cccc2)C 7a_200011995996_100000042424 [0,1,0,0,0,1|2,0,0]=4 3990 B18R2.62417 C=C(F)COCc1ccc(c2c1cccc2)F 34a_100011988714_100009893438 [0,1,0,0,0,1|2,0,0]=4 3991 B18R2.62417 C=C(F)COCc1ccc(c2c1cccc2)F 34a_200010262243_100011988723 [0,1,0,0,0,1|2,0,0]=4 3992 B18R2.62417 C=C(F)COCc1ccc(c2c1cccc2)F 7a_100011988714_100000042424 [0,1,0,0,0,1|2,0,0]=4 3993 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)Br)C 34a_100000186334_100000761012 [0,1,0,0,0,1|2,0,0]=4 3994 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)Br)C 7a_100000186334_100000761012 [0,1,0,0,0,1|2,0,0]=4 3995 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)C)C 34a_100000074455_100000761012 [0,1,0,0,0,1|2,0,0]=4 3996 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)C)C 7a_100000074455_100000761012 [0,1,0,0,0,1|2,0,0]=4 3997 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)Cl)C 34a_100000211000_100000761012 [0,1,0,0,0,1|2,0,0]=4 3998 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)Cl)C 7a_100000211000_100000761012 [0,1,0,0,0,1|2,0,0]=4 3999 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)F)C 34a_100000100223_100000761012 [0,1,0,0,0,1|2,0,0]=4 4000 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)F)C 7a_100000100223_100000761012 [0,1,0,0,0,1|2,0,0]=4 4001 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)N)C 34a_100000705857_100000761012 [0,1,0,0,0,1|2,0,0]=4 4002 B18R2.62417 CC(=CCOc1ccc(c2c1cccc2)N)C 7a_100000705857_100000761012 [0,1,0,0,0,1|2,0,0]=4 4003 B18R2.62417 CC(=O)CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000053229 [0,1,0,0,0,1|1,0,0]=3 4004 B18R2.62417 CC(=O)CCOc1ccc(c2c1cccc2)C 7a_100000074455_100000053229 [0,1,0,0,0,1|1,0,0]=3 4005 B18R2.62417 CC(=O)CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000053229 [0,1,0,0,0,1|1,0,0]=3 4006 B18R2.62417 CC(=O)CCOc1ccc(c2c1cccc2)F 7a_100000100223_100000053229 [0,1,0,0,0,1|1,0,0]=3 4007 B18R2.62417 CC(=O)CCOc1ccc(c2c1cccc2)N 7a_100000705857_100000053229 [0,1,0,0,0,1|1,0,0]=3 4008 B18R2.62417 CC(=O)CCOc1ccc(c2c1nccc2)Br 7a_100011934063_100000053229 [0,1,0,0,0,1|2,0,0]=4 4009 B18R2.62417 CC(=O)CCOc1ccc(c2c1nccc2)C 7a_100000058672_100000053229 [0,1,0,0,0,1|2,0,0]=4 4010 B18R2.62417 CC(=O)CCOc1ccc(c2c1nccc2)Cl 7a_100000212186_100000053229 [0,1,0,0,0,1|2,0,0]=4 4011 B18R2.62417 CC(=O)CCOc1ccc(c2c1nccc2)F 7a_100000034212_100000053229 [0,1,0,0,0,1|2,0,0]=4 4012 B18R2.62417 CC(=O)CCOc1cnc(c2c1cccc2)Cl 7a_100000067196_100000053229 [0,1,0,0,0,1|2,0,0]=4 4013 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)Br 62a_100000053229_100012339872 [0,1,0,0,0,1|1,1,0]=4 4014 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)Br 62a_100012339872_100000053229 [0,1,0,0,0,1|1,1,0]=4 4015 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)C 62a_100000053229_100011215156 [0,1,0,0,0,1|1,1,0]=4 4016 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)C 62a_100011215156_100000053229 [0,1,0,0,0,1|1,1,0]=4 4017 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)F 62a_100000053229_100011218216 [0,1,0,0,0,1|1,1,0]=4 4018 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)F 62a_100011218216_100000053229 [0,1,0,0,0,1|1,1,0]=4 4019 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)N 62a_100000766797_100000053229 [0,1,0,0,0,1|1,1,0]=4 4020 B18R2.62417 CC(=O)CCSc1ccc(c2c1cccc2)O 62a_100000053229_100000186334 [0,1,0,0,0,1|1,1,0]=4 4021 B18R2.62417 CC(=O)COCc1ccc(c2c1cccc2)Br 34a_100000211253_100012352185 [0,1,0,0,0,1|1,0,0]=3 4022 B18R2.62417 CC(=O)COCc1ccc(c2c1cccc2)C 34a_100000211253_100012073487 [0,1,0,0,0,1|1,0,0]=3 4023 B18R2.62417 CC(=O)COCc1ccc(c2c1cccc2)F 34a_100000211253_100011988723 [0,1,0,0,0,1|1,0,0]=3 4024 B18R2.62417 CC(=O)COCc1ccc(c2c1cccn2)O 34a_100000211253_100000683097 [0,1,0,0,0,1|2,0,0]=4 4025 B18R2.62417 CC(=O)OCNc1ccc(c2c1cccc2)Br 34a_100000766797_100009813279 [0,1,0,0,0,1|2,0,0]=4 4026 B18R2.62417 CC(=O)OCNc1ccc(c2c1cccc2)Cl 34a_100011216319_100009813279 [0,1,0,0,0,1|2,0,0]=4 4027 B18R2.62417 CC(=O)OCNc1ccc(c2c1cccc2)F 34a_100011988692_100009813279 [0,1,0,0,0,1|2,0,0]=4 4028 B18R2.62417 CC(=O)OCNc1ccc(c2c1cccc2)O 34a_100000705857_100009813279 [0,1,0,0,0,1|2,0,0]=4 4029 B18R2.62417 CC(=O)OCOc1ccc(c2c1cccc2)Br 34a_100000186334_100009813279 [0,1,0,0,0,1|1,0,0]=3 4030 B18R2.62417 CC(=O)OCOc1ccc(c2c1cccc2)C 34a_100000074455_100009813279 [0,1,0,0,0,1|1,0,0]=3 4031 B18R2.62417 CC(=O)OCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100009813279 [0,1,0,0,0,1|1,0,0]=3 4032 B18R2.62417 CC(=O)OCOc1ccc(c2c1cccc2)F 34a_100000100223_100009813279 [0,1,0,0,0,1|1,0,0]=3 4033 B18R2.62417 CC(=O)OCOc1ccc(c2c1cccc2)N 34a_100000705857_100009813279 [0,1,0,0,0,1|1,0,0]=3 4034 B18R2.62417 CC(=O)OCOc1ccc(c2c1nccc2)Br 34a_100011934063_100009813279 [0,1,0,0,0,1|2,0,0]=4 4035 B18R2.62417 CC(=O)OCOc1ccc(c2c1nccc2)C 34a_100000058672_100009813279 [0,1,0,0,0,1|2,0,0]=4 4036 B18R2.62417 CC(=O)OCOc1ccc(c2c1nccc2)Cl 34a_100000212186_100009813279 [0,1,0,0,0,1|2,0,0]=4 4037 B18R2.62417 CC(=O)OCOc1ccc(c2c1nccc2)F 34a_100000034212_100009813279 [0,1,0,0,0,1|2,0,0]=4 4038 B18R2.62417 CC(=O)OCOc1ccc(c2c1nccc2)N 34a_100000188197_100009813279 [0,1,0,0,0,1|2,0,0]=4 4039 B18R2.62417 CC(=O)OCOc1cnc(c2c1cccc2)Cl 34a_100000067196_100009813279 [0,1,0,0,0,1|2,0,0]=4 4040 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)Br 62a_100000076356_100012339872 [0,1,0,0,0,1|1,1,0]=4 4041 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)Br 62a_100012339872_100000076356 [0,1,0,0,0,1|1,1,0]=4 4042 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)C 62a_100000076356_100011215156 [0,1,0,0,0,1|1,1,0]=4 4043 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)C 62a_100011215156_100000076356 [0,1,0,0,0,1|1,1,0]=4 4044 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)F 62a_100000076356_100011218216 [0,1,0,0,0,1|1,1,0]=4 4045 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)F 62a_100011218216_100000076356 [0,1,0,0,0,1|1,1,0]=4 4046 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)N 62a_100000766797_100000076356 [0,1,0,0,0,1|1,1,0]=4 4047 B18R2.62417 CC(=O)OCSc1ccc(c2c1cccc2)O 62a_100000076356_100000186334 [0,1,0,0,0,1|1,1,0]=4 4048 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)Br 34a_100000186334_100012276601 [0,1,0,0,0,1|1,0,1]=4 4049 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100012276601 [0,1,0,0,0,1|1,0,1]=4 4050 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100012276601 [0,1,0,0,0,1|1,0,1]=4 4051 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100012276601 [0,1,0,0,0,1|1,0,1]=4 4052 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)F 34a_100000100223_100012276601 [0,1,0,0,0,1|1,0,1]=4 4053 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)F 7a_100000100223_100012276601 [0,1,0,0,0,1|1,0,1]=4 4054 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)N 34a_100000705857_100012276601 [0,1,0,0,0,1|1,0,1]=4 4055 B18R2.62417 CC(O)CCOc1ccc(c2c1cccc2)N 7a_100000705857_100012276601 [0,1,0,0,0,1|1,0,1]=4 4056 B18R2.62417 CC(O)COCc1ccc(c2c1cccc2)F 34a_100011988714_100011218427 [0,1,0,0,0,1|1,0,1]=4 4057 B18R2.62417 CC(O)COCc1ccc(c2c1cccc2)F 7a_100011988714_100011218427 [0,1,0,0,0,1|1,0,1]=4 4058 B18R2.62417 C[C@@H](O)COCc1ccc(c2c1cccc2)F 34a_100011988714_100009817552 [0,1,0,0,0,1|1,0,1]=4 4059 B18R2.62417 C[C@@H](O)COCc1ccc(c2c1cccc2)F 7a_100011988714_100009817552 [0,1,0,0,0,1|1,0,1]=4 4060 B18R2.62417 Cc1ccc(c2c1cccc2)CNCC(=O)N 2230a_100000711301_100012073487 [0,1,0,0,0,1|2,0,0]=4 4061 B18R2.62417 Cc1ccc(c2c1cccc2)CNCC(=O)O 269956a_100016091260_100012073487 [0,1,0,0,0,1|1,0,0]=3 4062 B18R2.62417 Cc1ccc(c2c1cccc2)COCC(=O)N 34a_200011995996_100000187820 [0,1,0,0,0,1|1,0,0]=3 4063 B18R2.62417 Cc1ccc(c2c1cccc2)COCC(=O)N 7a_200011995996_100000187820 [0,1,0,0,0,1|1,0,0]=3 4064 B18R2.62417 Cc1ccc(c2c1cccc2)COCC(=O)[O-] 34a_200011995996_100020667443 [0,1,0,0,0,1|0,0,1]=3 4065 B18R2.62417 Cc1ccc(c2c1cccc2)COCC(C)O 34a_200011995996_100011218427 [0,1,0,0,0,1|1,0,1]=4 4066 B18R2.62417 Cc1ccc(c2c1cccc2)COCC(C)O 7a_200011995996_100011218427 [0,1,0,0,0,1|1,0,1]=4 4067 B18R2.62417 Cc1ccc(c2c1cccc2)COC[C@@H](C)O 34a_200011995996_100009817552 [0,1,0,0,0,1|1,0,1]=4 4068 B18R2.62417 Cc1ccc(c2c1cccc2)COC[C@@H](C)O 7a_200011995996_100009817552 [0,1,0,0,0,1|1,0,1]=4 4069 B18R2.62417 Cc1ccc(c2c1cccc2)COC[N+](=O)[O-] 34a_200011995996_100000761209 [0,1,0,0,0,1|1,0,1]=4 4070 B18R2.62417 Cc1ccc(c2c1cccc2)CSCC(=O)N 62a_100000747473_100012073487 [0,1,0,0,0,1|1,1,0]=4 4071 B18R2.62417 Cc1ccc(c2c1cccc2)CSCC(=O)N 62a_100012073487_100000747473 [0,1,0,0,0,1|1,1,0]=4 4072 B18R2.62417 Cc1ccc(c2c1cccc2)CSCC(=O)[O-] 62a_100012073487_100020667443 [0,1,0,0,0,1|0,1,1]=4 4073 B18R2.62417 Cc1ccc(c2c1cccc2)CSCC(=O)[O-] 62a_100020667443_100012073487 [0,1,0,0,0,1|0,1,1]=4 4074 B18R2.62417 Cc1ccc(c2c1cccc2)OCCC(=O)N 34a_100000074455_100000731001 [0,1,0,0,0,1|1,0,0]=3 4075 B18R2.62417 Cc1ccc(c2c1cccc2)OCCC(=O)N 7a_100000074455_100000744528 [0,1,0,0,0,1|1,0,0]=3 4076 B18R2.62417 Cc1ccc(c2c1cccc2)OCCC(C)O 34a_100000074455_100012276601 [0,1,0,0,0,1|1,0,1]=4 4077 B18R2.62417 Cc1ccc(c2c1cccc2)OCCC(C)O 7a_100000074455_100012276601 [0,1,0,0,0,1|1,0,1]=4 4078 B18R2.62417 Cc1ccc(c2c1cccc2)SCCC(=O)N 62a_100000744528_100011215156 [0,1,0,0,0,1|1,1,0]=4 4079 B18R2.62417 Cc1ccc(c2c1cccc2)SCCC(=O)N 62a_100011215156_100000744528 [0,1,0,0,0,1|1,1,0]=4 4080 B18R2.62417 Cc1ccc(c2c1cccn2)OCCC(=O)N 34a_100000058672_100000731001 [0,1,0,0,0,1|2,0,0]=4 4081 B18R2.62417 Cc1ccc(c2c1cccn2)OCCC(=O)N 7a_100000058672_100000744528 [0,1,0,0,0,1|2,0,0]=4 4082 B18R2.62417 NC(=O)CCNc1ccc(c2c1cccc2)Br 34a_100000766797_100000731001 [0,1,0,0,0,1|2,0,0]=4 4083 B18R2.62417 NC(=O)CCNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000731001 [0,1,0,0,0,1|2,0,0]=4 4084 B18R2.62417 NC(=O)CCNc1ccc(c2c1cccc2)F 34a_100011988692_100000731001 [0,1,0,0,0,1|2,0,0]=4 4085 B18R2.62417 NC(=O)CCNc1ccc(c2c1cccc2)O 34a_100000705857_100000731001 [0,1,0,0,0,1|2,0,0]=4 4086 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)Br 34a_100000186334_100000731001 [0,1,0,0,0,1|1,0,0]=3 4087 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)Br 7a_100000186334_100000744528 [0,1,0,0,0,1|1,0,0]=3 4088 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)Cl 34a_100000211000_100000731001 [0,1,0,0,0,1|1,0,0]=3 4089 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)Cl 7a_100000211000_100000744528 [0,1,0,0,0,1|1,0,0]=3 4090 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)F 34a_100000100223_100000731001 [0,1,0,0,0,1|1,0,0]=3 4091 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)F 7a_100000100223_100000744528 [0,1,0,0,0,1|1,0,0]=3 4092 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)N 34a_100000705857_100000731001 [0,1,0,0,0,1|1,0,0]=3 4093 B18R2.62417 NC(=O)CCOc1ccc(c2c1cccc2)N 7a_100000705857_100000744528 [0,1,0,0,0,1|1,0,0]=3 4094 B18R2.62417 NC(=O)CCOc1ccc(c2c1nccc2)Br 34a_100011934063_100000731001 [0,1,0,0,0,1|2,0,0]=4 4095 B18R2.62417 NC(=O)CCOc1ccc(c2c1nccc2)Br 7a_100011934063_100000744528 [0,1,0,0,0,1|2,0,0]=4 4096 B18R2.62417 NC(=O)CCOc1ccc(c2c1nccc2)Cl 34a_100000212186_100000731001 [0,1,0,0,0,1|2,0,0]=4 4097 B18R2.62417 NC(=O)CCOc1ccc(c2c1nccc2)Cl 7a_100000212186_100000744528 [0,1,0,0,0,1|2,0,0]=4 4098 B18R2.62417 NC(=O)CCOc1ccc(c2c1nccc2)F 34a_100000034212_100000731001 [0,1,0,0,0,1|2,0,0]=4 4099 B18R2.62417 NC(=O)CCOc1ccc(c2c1nccc2)F 7a_100000034212_100000744528 [0,1,0,0,0,1|2,0,0]=4 4100 B18R2.62417 NC(=O)CCOc1ccc(c2c1nccc2)N 34a_100000188197_100000731001 [0,1,0,0,0,1|2,0,0]=4 4101 B18R2.62417 NC(=O)CCOc1cnc(c2c1cccc2)Cl 34a_100000067196_100000731001 [0,1,0,0,0,1|2,0,0]=4 4102 B18R2.62417 NC(=O)CCOc1cnc(c2c1cccc2)Cl 7a_100000067196_100000744528 [0,1,0,0,0,1|2,0,0]=4 4103 B18R2.62417 NC(=O)CCSc1ccc(c2c1cccc2)Br 62a_100000744528_100012339872 [0,1,0,0,0,1|1,1,0]=4 4104 B18R2.62417 NC(=O)CCSc1ccc(c2c1cccc2)Br 62a_100012339872_100000744528 [0,1,0,0,0,1|1,1,0]=4 4105 B18R2.62417 NC(=O)CCSc1ccc(c2c1cccc2)F 62a_100000744528_100011218216 [0,1,0,0,0,1|1,1,0]=4 4106 B18R2.62417 NC(=O)CCSc1ccc(c2c1cccc2)F 62a_100011218216_100000744528 [0,1,0,0,0,1|1,1,0]=4 4107 B18R2.62417 NC(=O)CCSc1ccc(c2c1cccc2)N 62a_100000766797_100000744528 [0,1,0,0,0,1|1,1,0]=4 4108 B18R2.62417 NC(=O)CCSc1ccc(c2c1cccc2)O 62a_100000744528_100000186334 [0,1,0,0,0,1|1,1,0]=4 4109 B18R2.62417 NC(=O)CNCc1ccc(c2c1cccc2)Br 2230a_100000711301_100012352185 [0,1,0,0,0,1|2,0,0]=4 4110 B18R2.62417 NC(=O)CNCc1ccc(c2c1cccc2)Br 34a_100016995114_100000187820 [0,1,0,0,0,1|2,0,0]=4 4111 B18R2.62417 NC(=O)CNCc1ccc(c2c1cccc2)F 2230a_100000711301_100011988723 [0,1,0,0,0,1|2,0,0]=4 4112 B18R2.62417 NC(=O)COCc1ccc(c2c1cccc2)F 34a_100011988714_100000187820 [0,1,0,0,0,1|1,0,0]=3 4113 B18R2.62417 NC(=O)COCc1ccc(c2c1cccc2)F 7a_100011988714_100000187820 [0,1,0,0,0,1|1,0,0]=3 4114 B18R2.62417 NC(=O)CSCc1ccc(c2c1cccc2)Br 62a_100000747473_100012352185 [0,1,0,0,0,1|1,1,0]=4 4115 B18R2.62417 NC(=O)CSCc1ccc(c2c1cccc2)Br 62a_100012352185_100000747473 [0,1,0,0,0,1|1,1,0]=4 4116 B18R2.62417 NC(=O)CSCc1ccc(c2c1cccc2)F 62a_100000747473_100011988723 [0,1,0,0,0,1|1,1,0]=4 4117 B18R2.62417 NC(=O)CSCc1ccc(c2c1cccc2)F 62a_100011988723_100000747473 [0,1,0,0,0,1|1,1,0]=4 4118 B18R2.62417 O=C(O)CNCc1ccc(c2c1cccc2)Br 269956a_100016091260_100012352185 [0,1,0,0,0,1|1,0,0]=3 4119 B18R2.62417 O=C(O)CNCc1ccc(c2c1cccc2)F 269956a_100016091260_100011988723 [0,1,0,0,0,1|1,0,0]=3 4120 B18R2.62417 O=C(O)CNCc1ccc(c2c1cccn2)O 269956a_100016091260_100000683097 [0,1,0,0,0,1|2,0,0]=4 4121 B18R2.62417 O=C([O-])CNCc1ccc(c2c1cccc2)Br 34a_100016995114_100020667443 [0,1,0,0,0,1|1,0,1]=4 4122 B18R2.62417 O=C([O-])COCc1ccc(c2c1cccc2)F 34a_100011988714_100020667443 [0,1,0,0,0,1|0,0,1]=3 4123 B18R2.62417 O=C([O-])CSCc1ccc(c2c1cccc2)Br 62a_100012352185_100020667443 [0,1,0,0,0,1|0,1,1]=4 4124 B18R2.62417 O=C([O-])CSCc1ccc(c2c1cccc2)Br 62a_100020667443_100012352185 [0,1,0,0,0,1|0,1,1]=4 4125 B18R2.62417 O=C([O-])CSCc1ccc(c2c1cccc2)F 62a_100011988723_100020667443 [0,1,0,0,0,1|0,1,1]=4 4126 B18R2.62417 O=C([O-])CSCc1ccc(c2c1cccc2)F 62a_100020667443_100011988723 [0,1,0,0,0,1|0,1,1]=4 4127 B18R2.62417 O=[N+]([O-])COCc1ccc(c2c1cccc2)F 34a_100011988714_100000761209 [0,1,0,0,0,1|1,0,1]=4 4128 B18R2.481234 C=C(C)CCOc1cccc2c1c(ccc2)Br 34a_100010089961_100000730704 [0,1,0,0,0,1|2,0,0]=4 4129 B18R2.481234 C=C(C)CCOc1cccc2c1c(ccc2)Br 7a_100010089961_100000730704 [0,1,0,0,0,1|2,0,0]=4 4130 B18R2.481234 C=C(C)COCc1cccc2c1c(ccc2)Br 34a_200009814114_100000748629 [0,1,0,0,0,1|2,0,0]=4 4131 B18R2.481234 C=C(C)COCc1cccc2c1c(ccc2)Br 7a_200009814114_100000748629 [0,1,0,0,0,1|2,0,0]=4 4132 B18R2.481234 C=C(F)COCc1cccc2c1c(ccc2)Br 34a_200009814114_100009893438 [0,1,0,0,0,1|2,0,0]=4 4133 B18R2.481234 C=C(F)COCc1cccc2c1c(ccc2)Br 7a_200009814114_100000042424 [0,1,0,0,0,1|2,0,0]=4 4134 B18R2.481234 CC(=CCOc1cccc2c1c(ccc2)Br)C 34a_100010089961_100000761012 [0,1,0,0,0,1|2,0,0]=4 4135 B18R2.481234 CC(=CCOc1cccc2c1c(ccc2)Br)C 7a_100010089961_100000761012 [0,1,0,0,0,1|2,0,0]=4 4136 B18R2.481234 CC(=O)CCNc1cccc2c1c(ccc2)C 7a_100009841044_100000053229 [0,1,0,0,0,1|2,0,0]=4 4137 B18R2.481234 CC(=O)CCNc1cccc2c1c(ccc2)F 7a_100009878580_100000053229 [0,1,0,0,0,1|2,0,0]=4 4138 B18R2.481234 CC(=O)CCOc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000053229 [0,1,0,0,0,1|2,0,0]=4 4139 B18R2.481234 CC(=O)CCOc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000053229 [0,1,0,0,0,1|2,0,0]=4 4140 B18R2.481234 CC(=O)CCOc1cccc2c1c(=O)cco2 7a_100000040341_100000053229 [0,1,0,0,0,1|2,0,0]=4 4141 B18R2.481234 CC(=O)CCOc1cccc2c1c(ccc2)Br 7a_100010089961_100000053229 [0,1,0,0,0,1|1,0,0]=3 4142 B18R2.481234 CC(=O)CCSc1cccc2c1c(ccc2)Br 62a_100000053229_100010243825 [0,1,0,0,0,1|1,1,0]=4 4143 B18R2.481234 CC(=O)CCSc1cccc2c1c(ccc2)Br 62a_100010243825_100000053229 [0,1,0,0,0,1|1,1,0]=4 4144 B18R2.481234 CC(=O)CCSc1cccc2c1c(ccc2)C 62a_100000053229_100009995290 [0,1,0,0,0,1|1,1,0]=4 4145 B18R2.481234 CC(=O)CCSc1cccc2c1c(ccc2)F 62a_100000053229_100010177852 [0,1,0,0,0,1|1,1,0]=4 4146 B18R2.481234 CC(=O)CCSc1cccc2c1c(ccc2)F 62a_100010177852_100000053229 [0,1,0,0,0,1|1,1,0]=4 4147 B18R2.481234 CC(=O)CCSc1cccc2c1c(ccc2)N 62a_100010002837_100000053229 [0,1,0,0,0,1|1,1,0]=4 4148 B18R2.481234 CC(=O)CCSc1cccc2c1c(ccc2)O 62a_100000053229_100010089961 [0,1,0,0,0,1|1,1,0]=4 4149 B18R2.481234 CC(=O)OCNc1cccc2c1c(ccc2)Br 34a_100010002837_100009813279 [0,1,0,0,0,1|2,0,0]=4 4150 B18R2.481234 CC(=O)OCNc1cccc2c1c(ccc2)C 34a_100009841044_100009813279 [0,1,0,0,0,1|2,0,0]=4 4151 B18R2.481234 CC(=O)OCNc1cccc2c1c(ccc2)Cl 34a_100009857565_100009813279 [0,1,0,0,0,1|2,0,0]=4 4152 B18R2.481234 CC(=O)OCNc1cccc2c1c(ccc2)F 34a_100009878580_100009813279 [0,1,0,0,0,1|2,0,0]=4 4153 B18R2.481234 CC(=O)OCOc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100009813279 [0,1,0,0,0,1|2,0,0]=4 4154 B18R2.481234 CC(=O)OCOc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100009813279 [0,1,0,0,0,1|2,0,0]=4 4155 B18R2.481234 CC(=O)OCOc1cccc2c1c(=O)cco2 34a_100000040341_100009813279 [0,1,0,0,0,1|2,0,0]=4 4156 B18R2.481234 CC(=O)OCOc1cccc2c1c(ccc2)Br 34a_100010089961_100009813279 [0,1,0,0,0,1|1,0,0]=3 4157 B18R2.481234 CC(=O)OCOc1ccnc2c1c(ccc2)Br 34a_100010187735_100009813279 [0,1,0,0,0,1|2,0,0]=4 4158 B18R2.481234 CC(=O)OCOc1ccnc2c1c(ccc2)C 34a_100000087318_100009813279 [0,1,0,0,0,1|2,0,0]=4 4159 B18R2.481234 CC(=O)OCOc1nccc2c1c(ccc2)Br 34a_100010162479_100009813279 [0,1,0,0,0,1|2,0,0]=4 4160 B18R2.481234 CC(=O)OCOc1nccc2c1c(ccc2)Cl 34a_200010297299_100009813279 [0,1,0,0,0,1|2,0,0]=4 4161 B18R2.481234 CC(=O)OCSc1cccc2c1c(ccc2)Br 62a_100000076356_100010243825 [0,1,0,0,0,1|1,1,0]=4 4162 B18R2.481234 CC(=O)OCSc1cccc2c1c(ccc2)Br 62a_100010243825_100000076356 [0,1,0,0,0,1|1,1,0]=4 4163 B18R2.481234 CC(=O)OCSc1cccc2c1c(ccc2)C 62a_100000076356_100009995290 [0,1,0,0,0,1|1,1,0]=4 4164 B18R2.481234 CC(=O)OCSc1cccc2c1c(ccc2)F 62a_100000076356_100010177852 [0,1,0,0,0,1|1,1,0]=4 4165 B18R2.481234 CC(=O)OCSc1cccc2c1c(ccc2)F 62a_100010177852_100000076356 [0,1,0,0,0,1|1,1,0]=4 4166 B18R2.481234 CC(=O)OCSc1cccc2c1c(ccc2)N 62a_100010002837_100000076356 [0,1,0,0,0,1|1,1,0]=4 4167 B18R2.481234 CC(=O)OCSc1cccc2c1c(ccc2)O 62a_100000076356_100010089961 [0,1,0,0,0,1|1,1,0]=4 4168 B18R2.481234 CC(O)CCOc1cccc2c1c(ccc2)Br 34a_100010089961_100012276601 [0,1,0,0,0,1|1,0,1]=4 4169 B18R2.481234 CC(O)CCOc1cccc2c1c(ccc2)Br 7a_100010089961_100012276601 [0,1,0,0,0,1|1,0,1]=4 4170 B18R2.481234 CC(O)COCc1cccc2c1c(ccc2)Br 34a_200009814114_100011218427 [0,1,0,0,0,1|1,0,1]=4 4171 B18R2.481234 CC(O)COCc1cccc2c1c(ccc2)Br 7a_200009814114_100011218427 [0,1,0,0,0,1|1,0,1]=4 4172 B18R2.481234 C[C@@H](O)COCc1cccc2c1c(ccc2)Br 34a_200009814114_100009817552 [0,1,0,0,0,1|1,0,1]=4 4173 B18R2.481234 C[C@@H](O)COCc1cccc2c1c(ccc2)Br 7a_200009814114_100009817552 [0,1,0,0,0,1|1,0,1]=4 4174 B18R2.481234 Cc1cccc2c1c(ccc2)NCCC(=O)N 34a_100009841044_100000731001 [0,1,0,0,0,1|2,0,0]=4 4175 B18R2.481234 Cc1cccc2c1c(ccc2)NCCC(=O)N 7a_100009841044_100000744528 [0,1,0,0,0,1|2,0,0]=4 4176 B18R2.481234 Cc1cccc2c1c(ccc2)SCCC(=O)N 62a_100000744528_100009995290 [0,1,0,0,0,1|1,1,0]=4 4177 B18R2.481234 Cc1cccc2c1c(ccn2)OCCC(=O)N 34a_100000087318_100000731001 [0,1,0,0,0,1|2,0,0]=4 4178 B18R2.481234 NC(=O)CCNc1cccc2c1c(ccc2)Br 34a_100010002837_100000731001 [0,1,0,0,0,1|2,0,0]=4 4179 B18R2.481234 NC(=O)CCNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000731001 [0,1,0,0,0,1|2,0,0]=4 4180 B18R2.481234 NC(=O)CCNc1cccc2c1c(ccc2)F 34a_100009878580_100000731001 [0,1,0,0,0,1|2,0,0]=4 4181 B18R2.481234 NC(=O)CCNc1cccc2c1c(ccc2)F 7a_100009878580_100000744528 [0,1,0,0,0,1|2,0,0]=4 4182 B18R2.481234 NC(=O)CCOc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100000731001 [0,1,0,0,0,1|2,0,0]=4 4183 B18R2.481234 NC(=O)CCOc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000744528 [0,1,0,0,0,1|2,0,0]=4 4184 B18R2.481234 NC(=O)CCOc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100000731001 [0,1,0,0,0,1|2,0,0]=4 4185 B18R2.481234 NC(=O)CCOc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000744528 [0,1,0,0,0,1|2,0,0]=4 4186 B18R2.481234 NC(=O)CCOc1cccc2c1c(=O)cco2 34a_100000040341_100000731001 [0,1,0,0,0,1|2,0,0]=4 4187 B18R2.481234 NC(=O)CCOc1cccc2c1c(=O)cco2 7a_100000040341_100000744528 [0,1,0,0,0,1|2,0,0]=4 4188 B18R2.481234 NC(=O)CCOc1cccc2c1c(ccc2)Br 34a_100010089961_100000731001 [0,1,0,0,0,1|1,0,0]=3 4189 B18R2.481234 NC(=O)CCOc1cccc2c1c(ccc2)Br 7a_100010089961_100000744528 [0,1,0,0,0,1|1,0,0]=3 4190 B18R2.481234 NC(=O)CCOc1ccnc2c1c(ccc2)Br 34a_100010187735_100000731001 [0,1,0,0,0,1|2,0,0]=4 4191 B18R2.481234 NC(=O)CCOc1nccc2c1c(ccc2)Br 34a_100010162479_100000731001 [0,1,0,0,0,1|2,0,0]=4 4192 B18R2.481234 NC(=O)CCOc1nccc2c1c(ccc2)Cl 34a_200010297299_100000731001 [0,1,0,0,0,1|2,0,0]=4 4193 B18R2.481234 NC(=O)CCSc1cccc2c1c(ccc2)Br 62a_100000744528_100010243825 [0,1,0,0,0,1|1,1,0]=4 4194 B18R2.481234 NC(=O)CCSc1cccc2c1c(ccc2)Br 62a_100010243825_100000744528 [0,1,0,0,0,1|1,1,0]=4 4195 B18R2.481234 NC(=O)CCSc1cccc2c1c(ccc2)F 62a_100000744528_100010177852 [0,1,0,0,0,1|1,1,0]=4 4196 B18R2.481234 NC(=O)CCSc1cccc2c1c(ccc2)F 62a_100010177852_100000744528 [0,1,0,0,0,1|1,1,0]=4 4197 B18R2.481234 NC(=O)CCSc1cccc2c1c(ccc2)N 62a_100010002837_100000744528 [0,1,0,0,0,1|1,1,0]=4 4198 B18R2.481234 NC(=O)CCSc1cccc2c1c(ccc2)O 62a_100000744528_100010089961 [0,1,0,0,0,1|1,1,0]=4 4199 B18R2.481234 NC(=O)COCc1cccc2c1c(ccc2)Br 34a_200009814114_100000187820 [0,1,0,0,0,1|1,0,0]=3 4200 B18R2.481234 NC(=O)COCc1cccc2c1c(ccc2)Br 7a_200009814114_100000187820 [0,1,0,0,0,1|1,0,0]=3 4201 B18R2.481234 O=C([O-])COCc1cccc2c1c(ccc2)Br 34a_200009814114_100020667443 [0,1,0,0,0,1|0,0,1]=3 4202 B18R2.481234 O=[N+]([O-])COCc1cccc2c1c(ccc2)Br 34a_200009814114_100000761209 [0,1,0,0,0,1|1,0,1]=4 4203 B18R2.741502 C#CC(=O)CCOc1cccc2c1cccc2 1458a_100000211873_100000745918 [0,1,0,0,0,1|1,0,0]=3 4204 B18R2.741502 C=C(C#N)COCc1cccc2c1cccc2 34a_100011216843_100000694840 [0,1,0,0,0,1|2,0,0]=4 4205 B18R2.741502 C=CC(=O)CCOc1cccc2c1cccc2 1458a_100000185746_100000745918 [0,1,0,0,0,1|1,0,0]=3 4206 B18R2.741502 C=CC(=O)NCCc1cccc2c1cccc2 1626a_100000751862_100000185746 [0,1,0,0,0,1|2,0,0]=4 4207 B18R2.741502 C=CC(=O)NCCc1cccc2c1cccc2 240690a_100000751862_200121576911 [0,1,0,0,0,1|2,0,0]=4 4208 B18R2.741502 C=CC(O)COCc1cccc2c1cccc2 34a_100011216843_100000730141 [0,1,0,0,0,1|1,0,1]=4 4209 B18R2.741502 C=CC(O)COCc1cccc2c1cccc2 7a_100011216843_100000730141 [0,1,0,0,0,1|1,0,1]=4 4210 B18R2.741502 CCC(=O)CCOc1cccc2c1cccc2 1458a_100000210414_100000745918 [0,1,0,0,0,1|1,0,0]=3 4211 B18R2.741502 CCC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_100000210202 [0,1,0,0,0,1|1,0,0]=3 4212 B18R2.741502 CCC(=O)COCc1cccc2c1cccc2 34a_100000725409_100011261445 [0,1,0,0,0,1|1,0,0]=3 4213 B18R2.741502 CCC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000747405 [0,1,0,0,0,1|1,0,0]=3 4214 B18R2.741502 CCC(=O)COCc1cccc2c1ccnc2 34a_100000725409_100016989825 [0,1,0,0,0,1|2,0,0]=4 4215 B18R2.741502 CCC(=O)COCc1cccc2c1nccc2 34a_100000725409_100000241032 [0,1,0,0,0,1|2,0,0]=4 4216 B18R2.741502 CCC(=O)COCc1ccnc2c1cccc2 34a_100000725409_100015192512 [0,1,0,0,0,1|2,0,0]=4 4217 B18R2.741502 CCC(=O)COCc1nccc2c1cccc2 34a_100000725409_100000033776 [0,1,0,0,0,1|2,0,0]=4 4218 B18R2.741502 CCC(=O)CSCc1cccc2c1cccc2 1458a_200000150182_100000210202 [0,1,0,0,0,1|1,1,0]=4 4219 B18R2.741502 CCC(=O)CSCc1cccc2c1cccc2 62a_100000747405_100000188474 [0,1,0,0,0,1|1,1,0]=4 4220 B18R2.741502 CCC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000747405 [0,1,0,0,0,1|1,1,0]=4 4221 B18R2.741502 CCC(=O)NCCc1cccc2c1cccc2 11a_100000751862_100000210414 [0,1,0,0,0,1|2,0,0]=4 4222 B18R2.741502 CCC(=O)NCCc1cccc2c1cccc2 1626a_100000751862_100000210414 [0,1,0,0,0,1|2,0,0]=4 4223 B18R2.741502 CCC(=O)NCCc1cccc2c1cccc2 240690a_100000751862_100000210414 [0,1,0,0,0,1|2,0,0]=4 4224 B18R2.741502 CCC(=O)NCCc1cccc2c1cccc2 527a_100000751862_100000210414 [0,1,0,0,0,1|2,0,0]=4 4225 B18R2.741502 CCC(O)COCc1cccc2c1cccc2 34a_100011216843_100011218378 [0,1,0,0,0,1|1,0,1]=4 4226 B18R2.741502 CCC(O)COCc1cccc2c1cccc2 7a_100011216843_100011218378 [0,1,0,0,0,1|1,0,1]=4 4227 B18R2.741502 CNC(=O)CCNc1cccc2c1cccc2 34a_100000185869_100012179268 [0,1,0,0,0,1|2,0,0]=4 4228 B18R2.741502 CNC(=O)CCOc1cccc2c1cccc2 240690a_100102657272_100000737181 [0,1,0,0,0,1|1,0,0]=3 4229 B18R2.741502 CNC(=O)CCOc1cccc2c1cccc2 34a_100000210388_100012179268 [0,1,0,0,0,1|1,0,0]=3 4230 B18R2.741502 CNC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000737683 [0,1,0,0,0,1|1,0,0]=3 4231 B18R2.741502 CNC(=O)CCOc1cccc2c1cccn2 34a_100011197808_100012179268 [0,1,0,0,0,1|2,0,0]=4 4232 B18R2.741502 CNC(=O)CCOc1cccc2c1ccnc2 34a_100011218533_100012179268 [0,1,0,0,0,1|2,0,0]=4 4233 B18R2.741502 CNC(=O)CCOc1cccc2c1cncc2 34a_103624766955_100012179268 [0,1,0,0,0,1|2,0,0]=4 4234 B18R2.741502 CNC(=O)CCOc1cccc2c1nccc2 34a_100000056035_100012179268 [0,1,0,0,0,1|2,0,0]=4 4235 B18R2.741502 CNC(=O)CCOc1cncc2c1cccc2 34a_100000066178_100012179268 [0,1,0,0,0,1|2,0,0]=4 4236 B18R2.741502 CNC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000737683 [0,1,0,0,0,1|2,0,0]=4 4237 B18R2.741502 CNC(=O)CCOc1nccc2c1cccc2 34a_102531767632_100012179268 [0,1,0,0,0,1|2,0,0]=4 4238 B18R2.741502 CNC(=O)CCSc1cccc2c1cccc2 62a_100000737683_100000210605 [0,1,0,0,0,1|1,1,0]=4 4239 B18R2.741502 CNC(=O)CNCc1cccc2c1cccc2 207a_100000693194_100000210074 [0,1,0,0,0,1|2,0,0]=4 4240 B18R2.741502 CNC(=O)CNCc1cccc2c1cccc2 2230a_100000693194_100011261445 [0,1,0,0,0,1|2,0,0]=4 4241 B18R2.741502 CNC(=O)CNCc1cccc2c1cccc2 270004a_100000693194_100000210074 [0,1,0,0,0,1|2,0,0]=4 4242 B18R2.741502 CNC(=O)CNCc1cccc2c1cccc2 34a_100000753325_100000183359 [0,1,0,0,0,1|2,0,0]=4 4243 B18R2.741502 CNC(=O)COCc1cccc2c1cccc2 34a_100000750040_100011261445 [0,1,0,0,0,1|1,0,0]=3 4244 B18R2.741502 CNC(=O)COCc1cccc2c1cccc2 34a_100011216843_100000183359 [0,1,0,0,0,1|1,0,0]=3 4245 B18R2.741502 CNC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000183359 [0,1,0,0,0,1|1,0,0]=3 4246 B18R2.741502 CNC(=O)COCc1cccc2c1cccn2 34a_100000709871_100000183359 [0,1,0,0,0,1|2,0,0]=4 4247 B18R2.741502 CNC(=O)COCc1cccc2c1ccnc2 34a_100000750040_100016989825 [0,1,0,0,0,1|2,0,0]=4 4248 B18R2.741502 CNC(=O)COCc1cccc2c1nccc2 34a_100000750040_100000241032 [0,1,0,0,0,1|2,0,0]=4 4249 B18R2.741502 CNC(=O)COCc1cccc2c1nccc2 34a_100011303629_100000183359 [0,1,0,0,0,1|2,0,0]=4 4250 B18R2.741502 CNC(=O)COCc1ccnc2c1cccc2 34a_100000750040_100015192512 [0,1,0,0,0,1|2,0,0]=4 4251 B18R2.741502 CNC(=O)COCc1nccc2c1cccc2 34a_100000750040_100000033776 [0,1,0,0,0,1|2,0,0]=4 4252 B18R2.741502 CNC(=O)CSCc1cccc2c1cccc2 11a_106832991635_200000150182 [0,1,0,0,0,1|1,1,0]=4 4253 B18R2.741502 CNC(=O)CSCc1cccc2c1cccc2 1626a_100102657272_200000150182 [0,1,0,0,0,1|1,1,0]=4 4254 B18R2.741502 CNC(=O)CSCc1cccc2c1cccc2 240690a_100102657272_200000150182 [0,1,0,0,0,1|1,1,0]=4 4255 B18R2.741502 CNC(=O)CSCc1cccc2c1cccc2 527a_100102657272_200000150182 [0,1,0,0,0,1|1,1,0]=4 4256 B18R2.741502 CNC(=O)CSCc1cccc2c1cccc2 62a_100000183359_100000188474 [0,1,0,0,0,1|1,1,0]=4 4257 B18R2.741502 CNC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000183359 [0,1,0,0,0,1|1,1,0]=4 4258 B18R2.741502 CNC(=O)NCCc1cccc2c1cccc2 2708a_100000751862_106832991635 [0,1,0,0,0,1|2,0,0]=4 4259 B18R2.741502 CNC(=O)NCCc1cccc2c1cccc2 2708a_100102657272_100000751862 [0,1,0,0,0,1|2,0,0]=4 4260 B18R2.741502 CNC(=O)NCCc1cccc2c1cccc2 273464a_100000751862_100102657272 [0,1,0,0,0,1|2,0,0]=4 4261 B18R2.741502 CNC(=O)NCCc1cccc2c1cccc2 273464a_100102657272_100000751862 [0,1,0,0,0,1|2,0,0]=4 4262 B18R2.741502 CNC(=O)NCCc1cccc2c1cccc2 512a_100000751862_100102657272 [0,1,0,0,0,1|2,0,0]=4 4263 B18R2.741502 CNC(=O)NCCc1cccc2c1cccc2 512a_106832991638_100000751862 [0,1,0,0,0,1|2,0,0]=4 4264 B18R2.741502 COC(=O)C=NNc1cccc2c1cccc2 4a_100000006939_200011823558 [0,1,0,0,0,1|1,0,1]=4 4265 B18R2.741502 COC(=O)CCNc1cccc2c1cccc2 34a_100000185869_100000742370 [0,1,0,0,0,1|1,0,0]=3 4266 B18R2.741502 COC(=O)CCNc1cccc2c1cccn2 34a_100000183906_100000742370 [0,1,0,0,0,1|2,0,0]=4 4267 B18R2.741502 COC(=O)CCNc1cccc2c1nccc2 34a_100000181377_100000742370 [0,1,0,0,0,1|2,0,0]=4 4268 B18R2.741502 COC(=O)CCOc1cccc2c1CC=CC2 34a_100000074931_100000742370 [0,1,0,0,0,1|0,0,2]=4 4269 B18R2.741502 COC(=O)CCOc1cccc2c1CC=CC2 7a_100000074931_100000204255 [0,1,0,0,0,1|0,0,2]=4 4270 B18R2.741502 COC(=O)CCOc1cccc2c1cccc2 34a_100000210388_100000742370 [0,1,0,0,0,1|0,0,0]=2 4271 B18R2.741502 COC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000204255 [0,1,0,0,0,1|0,0,0]=2 4272 B18R2.741502 COC(=O)CCOc1cccc2c1cccn2 34a_100011197808_100000742370 [0,1,0,0,0,1|1,0,0]=3 4273 B18R2.741502 COC(=O)CCOc1cccc2c1ccnc2 34a_100011218533_100000742370 [0,1,0,0,0,1|1,0,0]=3 4274 B18R2.741502 COC(=O)CCOc1cccc2c1cncc2 34a_103624766955_100000742370 [0,1,0,0,0,1|1,0,0]=3 4275 B18R2.741502 COC(=O)CCOc1cccc2c1nccc2 34a_100000056035_100000742370 [0,1,0,0,0,1|1,0,0]=3 4276 B18R2.741502 COC(=O)CCOc1cccc2c1nccn2 34a_100000077048_100000742370 [0,1,0,0,0,1|2,0,0]=4 4277 B18R2.741502 COC(=O)CCOc1cccc2c1ncnc2 34a_200000077003_100000742370 [0,1,0,0,0,1|2,0,0]=4 4278 B18R2.741502 COC(=O)CCOc1cncc2c1cccc2 34a_100000066178_100000742370 [0,1,0,0,0,1|1,0,0]=3 4279 B18R2.741502 COC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000204255 [0,1,0,0,0,1|1,0,0]=3 4280 B18R2.741502 COC(=O)CCOc1nccc2c1cccc2 34a_102531767632_100000742370 [0,1,0,0,0,1|1,0,0]=3 4281 B18R2.741502 COC(=O)CCSc1cccc2c1cccc2 62a_100000204255_100000210605 [0,1,0,0,0,1|0,1,0]=3 4282 B18R2.741502 COC(=O)CCSc1cccc2c1cccn2 62a_100000204255_100011290932 [0,1,0,0,0,1|1,1,0]=4 4283 B18R2.741502 COC(=O)CCSc1cccc2c1cccn2 62a_100011290932_100000204255 [0,1,0,0,0,1|1,1,0]=4 4284 B18R2.741502 COC(=O)CCSc1cccc2c1ccnc2 62a_100000186358_100000204255 [0,1,0,0,0,1|1,1,0]=4 4285 B18R2.741502 COC(=O)CCSc1cccc2c1ccnc2 62a_100000204255_100000186358 [0,1,0,0,0,1|1,1,0]=4 4286 B18R2.741502 COC(=O)CCSc1cccc2c1cncc2 62a_100000204255_100000685578 [0,1,0,0,0,1|1,1,0]=4 4287 B18R2.741502 COC(=O)CCSc1cccc2c1cncc2 62a_100000685578_100000204255 [0,1,0,0,0,1|1,1,0]=4 4288 B18R2.741502 COC(=O)CCSc1cccc2c1nccc2 62a_100000204255_100011215545 [0,1,0,0,0,1|1,1,0]=4 4289 B18R2.741502 COC(=O)CCSc1ccnc2c1cccc2 62a_100000204255_100011215880 [0,1,0,0,0,1|1,1,0]=4 4290 B18R2.741502 COC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000204255 [0,1,0,0,0,1|1,1,0]=4 4291 B18R2.741502 COC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000204255 [0,1,0,0,0,1|1,1,0]=4 4292 B18R2.741502 COC(=O)CCSc1cncc2c1cccc2 62a_100000204255_100000187577 [0,1,0,0,0,1|1,1,0]=4 4293 B18R2.741502 COC(=O)CCSc1nccc2c1cccc2 62a_100000204255_100011934041 [0,1,0,0,0,1|1,1,0]=4 4294 B18R2.741502 COC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000204255 [0,1,0,0,0,1|1,1,0]=4 4295 B18R2.741502 COC(=O)CNCc1cccc2c1cccc2 34a_100000753325_100000747449 [0,1,0,0,0,1|1,0,0]=3 4296 B18R2.741502 COC(=O)COCc1cccc2c1cccc2 34a_100011216843_100000747449 [0,1,0,0,0,1|0,0,0]=2 4297 B18R2.741502 COC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000747449 [0,1,0,0,0,1|0,0,0]=2 4298 B18R2.741502 COC(=O)COCc1cccc2c1cccn2 34a_100000709871_100000747449 [0,1,0,0,0,1|1,0,0]=3 4299 B18R2.741502 COC(=O)COCc1cccc2c1nccc2 34a_100011303629_100000747449 [0,1,0,0,0,1|1,0,0]=3 4300 B18R2.741502 COC(=O)CSCc1cccc2c1cccc2 62a_100000747449_100000188474 [0,1,0,0,0,1|0,1,0]=3 4301 B18R2.741502 COC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000747449 [0,1,0,0,0,1|0,1,0]=3 4302 B18R2.741502 COC(=O)CSCc1cccc2c1ccnc2 62a_100000747449_100016989825 [0,1,0,0,0,1|1,1,0]=4 4303 B18R2.741502 COC(=O)CSCc1cccc2c1ccnc2 62a_100016989825_100000747449 [0,1,0,0,0,1|1,1,0]=4 4304 B18R2.741502 COC(=O)CSCc1cccc2c1nccc2 62a_100000747449_100000241032 [0,1,0,0,0,1|1,1,0]=4 4305 B18R2.741502 COC(=O)CSCc1ccnc2c1cccc2 62a_100000747449_100015192512 [0,1,0,0,0,1|1,1,0]=4 4306 B18R2.741502 COC(=O)CSCc1ccnc2c1cccc2 62a_100015192512_100000747449 [0,1,0,0,0,1|1,1,0]=4 4307 B18R2.741502 COC(=O)CSCc1nccc2c1cccc2 62a_100000033776_100000747449 [0,1,0,0,0,1|1,1,0]=4 4308 B18R2.741502 COC(=O)CSCc1nccc2c1cccc2 62a_100000747449_100000033776 [0,1,0,0,0,1|1,1,0]=4 4309 B18R2.741502 COC(=O)OCSc1cccc2c1cccn2 62a_100011290932_100000139417 [0,1,0,0,0,1|1,1,0]=4 4310 B18R2.741502 COC(=O)OCSc1cccc2c1ccnc2 62a_100000186358_100000139417 [0,1,0,0,0,1|1,1,0]=4 4311 B18R2.741502 COC(=O)OCSc1cccc2c1cncc2 62a_100000685578_100000139417 [0,1,0,0,0,1|1,1,0]=4 4312 B18R2.741502 COC(=O)OCSc1ccnc2c1cccc2 62a_100011458314_100000139417 [0,1,0,0,0,1|1,1,0]=4 4313 B18R2.741502 COC(=O)OCSc1cncc2c1cccc2 62a_100000187577_100000139417 [0,1,0,0,0,1|1,1,0]=4 4314 B18R2.741502 COC(=O)OCSc1nccc2c1cccc2 62a_100011934041_100000139417 [0,1,0,0,0,1|1,1,0]=4 4315 B18R2.741502 COC(C)COCc1cccc2c1cccc2 34a_100000690652_100011261445 [0,1,0,0,0,1|1,0,1]=4 4316 B18R2.741502 C[C@@H](CO)COCc1cccc2c1cccc2 34a_100011216843_100000059175 [0,1,0,0,0,1|1,0,1]=4 4317 B18R2.741502 C[C@@H](CO)COCc1cccc2c1cccc2 7a_100011216843_100000059175 [0,1,0,0,0,1|1,0,1]=4 4318 B18R2.741502 O=C(CF)CCOc1cccc2c1cccc2 1458a_100000737181_100015361967 [0,1,0,0,0,1|1,0,0]=3 4319 B18R2.741502 O=C(CF)CSCc1cccc2c1cccc2 1458a_200000150182_100015361967 [0,1,0,0,0,1|1,1,0]=4 4320 B18R2.741502 O=C(CO)CCOc1cccc2c1cccc2 1458a_100000210174_100000745918 [0,1,0,0,0,1|0,0,0]=2 4321 B18R2.741502 O=C(CO)NCCc1cccc2c1cccc2 240690a_100000751862_100000210174 [0,1,0,0,0,1|1,0,0]=3 4322 B18R2.741502 O=C(CO)NCCc1cccc2c1cccc2 527a_100000751862_100000210174 [0,1,0,0,0,1|1,0,0]=3 4323 B18R2.741502 O=C(CO)NNCc1cccc2c1cccc2 22a_100025742020_100000210174 [0,1,0,0,0,1|2,0,0]=4 4324 B18R2.741502 OCC(O)COCc1cccc2c1cccc2 34a_100011216843_100011219619 [0,1,0,0,0,1|0,0,2]=4 4325 B18R2.741502 OCC(O)COCc1cccc2c1cccc2 7a_100011216843_100011219619 [0,1,0,0,0,1|0,0,2]=4 4326 B18R2.741502 OC[C@H](O)COCc1cccc2c1cccc2 34a_100011216843_100009815848 [0,1,0,0,0,1|0,0,2]=4 4327 B18R2.741502 OC[C@H](O)COCc1cccc2c1cccc2 7a_100011216843_100009815848 [0,1,0,0,0,1|0,0,2]=4 4328 B18R2.741502 O[C@@H](CF)COCc1cccc2c1cccc2 34a_100011216843_100015614560 [0,1,0,0,0,1|1,0,1]=4 4329 B18R2.741502 O[C@@H](CF)COCc1cccc2c1cccc2 7a_100011216843_100015614560 [0,1,0,0,0,1|1,0,1]=4 4330 B18R2.2417296 CC(=O)C(=O)CNc1cccc2c1cccc2 34a_100000185869_100011261029 [0,1,0,0,0,1|2,0,0]=4 4331 B18R2.2417296 CC(=O)C(=O)COc1cccc2c1cccc2 34a_100000210388_100011261029 [0,1,0,0,0,1|1,0,0]=3 4332 B18R2.2417296 CC(=O)C(=O)COc1cccc2c1cccn2 34a_100011197808_100011261029 [0,1,0,0,0,1|2,0,0]=4 4333 B18R2.2417296 CC(=O)C(=O)COc1cccc2c1ccnc2 34a_100011218533_100011261029 [0,1,0,0,0,1|2,0,0]=4 4334 B18R2.2417296 CC(=O)C(=O)COc1cccc2c1cncc2 34a_103624766955_100011261029 [0,1,0,0,0,1|2,0,0]=4 4335 B18R2.2417296 CC(=O)C(=O)COc1cccc2c1nccc2 34a_100000056035_100011261029 [0,1,0,0,0,1|2,0,0]=4 4336 B18R2.2417296 CC(=O)C(=O)COc1cncc2c1cccc2 34a_100000066178_100011261029 [0,1,0,0,0,1|2,0,0]=4 4337 B18R2.2417296 CC(=O)C(=O)COc1nccc2c1cccc2 34a_102531767632_100011261029 [0,1,0,0,0,1|2,0,0]=4 4338 B18R2.2417296 CC(=O)C(=O)CSc1cccc2c1cccc2 62a_100011261029_100000210605 [0,1,0,0,0,1|1,1,0]=4 4339 B18R2.2417296 CC(=O)C(C)OCc1cccc2c1cccc2 34a_100000212229_100011261445 [0,1,0,0,0,1|1,0,0]=3 4340 B18R2.2417296 CC(=O)C(C)OCc1cccc2c1cccc2 7a_100011216843_100000179758 [0,1,0,0,0,1|1,0,0]=3 4341 B18R2.2417296 CC(=O)C(C)OCc1cccc2c1ccnc2 34a_100000212229_100016989825 [0,1,0,0,0,1|2,0,0]=4 4342 B18R2.2417296 CC(=O)C(C)OCc1cccc2c1nccc2 34a_100000212229_100000241032 [0,1,0,0,0,1|2,0,0]=4 4343 B18R2.2417296 CC(=O)C(C)OCc1ccnc2c1cccc2 34a_100000212229_100015192512 [0,1,0,0,0,1|2,0,0]=4 4344 B18R2.2417296 CC(=O)C(C)OCc1nccc2c1cccc2 34a_100000212229_100000033776 [0,1,0,0,0,1|2,0,0]=4 4345 B18R2.2417296 CC(=O)C(C)SCc1cccc2c1cccc2 62a_100009814033_100000188474 [0,1,0,0,0,1|1,1,0]=4 4346 B18R2.2417296 CC(=O)C(C)SCc1cccc2c1cccc2 62a_100011261445_100009814033 [0,1,0,0,0,1|1,1,0]=4 4347 B18R2.2417296 CC(NCc1cccc2c1cccc2)C(=O)N 34a_100000753325_100000702099 [0,1,0,0,0,1|2,0,0]=4 4348 B18R2.2417296 CC(OCc1cccc2c1cccc2)C(=O)N 34a_100011216843_100000702099 [0,1,0,0,0,1|1,0,0]=3 4349 B18R2.2417296 CC(OCc1cccc2c1cccc2)C(=O)N 7a_100011216843_100000702099 [0,1,0,0,0,1|1,0,0]=3 4350 B18R2.2417296 CC(OCc1cccc2c1cccn2)C(=O)N 34a_100000709871_100000702099 [0,1,0,0,0,1|2,0,0]=4 4351 B18R2.2417296 CC(OCc1cccc2c1nccc2)C(=O)N 34a_100011303629_100000702099 [0,1,0,0,0,1|2,0,0]=4 4352 B18R2.2417296 CC(SCc1cccc2c1cccc2)C(=O)N 62a_100000702099_100000188474 [0,1,0,0,0,1|1,1,0]=4 4353 B18R2.2417296 CC(SCc1cccc2c1cccc2)C(=O)N 62a_100011261445_100000702099 [0,1,0,0,0,1|1,1,0]=4 4354 B18R2.2417296 C[C@@H](NCc1cccc2c1cccc2)C(=O)N 2230a_100000119354_100011261445 [0,1,0,0,0,1|2,0,0]=4 4355 B18R2.2417296 C[C@@H](NCc1cccc2c1cccc2)C(=O)N 270004a_100000119354_100000210074 [0,1,0,0,0,1|2,0,0]=4 4356 B18R2.2417296 C[C@@H](NCc1cccc2c1cccc2)C(=O)N 34a_100000119354_100011261445 [0,1,0,0,0,1|2,0,0]=4 4357 B18R2.2417296 C[C@@H](OCc1cccc2c1cccc2)C(=O)N 34a_100000731257_100011261445 [0,1,0,0,0,1|1,0,0]=3 4358 B18R2.2417296 C[C@@H](OCc1cccc2c1cccc2)C(=O)N 7a_100000731257_100011261445 [0,1,0,0,0,1|1,0,0]=3 4359 B18R2.2417296 C[C@@H](OCc1cccc2c1ccnc2)C(=O)N 34a_100000731257_100016989825 [0,1,0,0,0,1|2,0,0]=4 4360 B18R2.2417296 C[C@@H](OCc1cccc2c1ccnc2)C(=O)N 7a_100000731257_100016989825 [0,1,0,0,0,1|2,0,0]=4 4361 B18R2.2417296 C[C@@H](OCc1cccc2c1nccc2)C(=O)N 34a_100000731257_100000241032 [0,1,0,0,0,1|2,0,0]=4 4362 B18R2.2417296 C[C@@H](OCc1cccc2c1nccc2)C(=O)N 7a_100000731257_100000241032 [0,1,0,0,0,1|2,0,0]=4 4363 B18R2.2417296 C[C@@H](OCc1ccnc2c1cccc2)C(=O)N 34a_100000731257_100015192512 [0,1,0,0,0,1|2,0,0]=4 4364 B18R2.2417296 C[C@@H](OCc1ccnc2c1cccc2)C(=O)N 7a_100000731257_100015192512 [0,1,0,0,0,1|2,0,0]=4 4365 B18R2.2417296 C[C@@H](OCc1nccc2c1cccc2)C(=O)N 34a_100000731257_100000033776 [0,1,0,0,0,1|2,0,0]=4 4366 B18R2.2417296 C[C@@H](OCc1nccc2c1cccc2)C(=O)N 7a_100000731257_100000033776 [0,1,0,0,0,1|2,0,0]=4 4367 B18R2.2417296 C[C@H](NCc1cccc2c1cccc2)C(=O)O 269956a_100000743915_100000188474 [0,1,0,0,0,1|1,0,0]=3 4368 B18R2.2417296 C[C@H](NCc1cccc2c1ccnc2)C(=O)O 269956a_100000743915_100016989825 [0,1,0,0,0,1|2,0,0]=4 4369 B18R2.2417296 C[C@H](NCc1cccc2c1nccc2)C(=O)O 269956a_100000743915_100000241032 [0,1,0,0,0,1|2,0,0]=4 4370 B18R2.2417296 C[C@H](NCc1ccnc2c1cccc2)C(=O)O 269956a_100000743915_100015192512 [0,1,0,0,0,1|2,0,0]=4 4371 B18R2.2417296 C[C@H](NCc1nccc2c1cccc2)C(=O)O 269956a_100000743915_100000033776 [0,1,0,0,0,1|2,0,0]=4 4372 B18R2.2417296 C[C@H](OCc1cccc2c1cccc2)C(=O)[O-] 7a_217856618621_100011261445 [0,1,0,0,0,1|0,0,1]=3 4373 B18R2.2417296 C[C@H](OCc1cccc2c1ccnc2)C(=O)[O-] 7a_217856618621_100016989825 [0,1,0,0,0,1|1,0,1]=4 4374 B18R2.2417296 C[C@H](OCc1cccc2c1nccc2)C(=O)[O-] 7a_217856618621_100000241032 [0,1,0,0,0,1|1,0,1]=4 4375 B18R2.2417296 C[C@H](OCc1ccnc2c1cccc2)C(=O)[O-] 7a_217856618621_100015192512 [0,1,0,0,0,1|1,0,1]=4 4376 B18R2.2417296 C[C@H](OCc1nccc2c1cccc2)C(=O)[O-] 7a_217856618621_100000033776 [0,1,0,0,0,1|1,0,1]=4 4377 B18R2.2417296 NC(=O)C(F)NCc1cccc2c1cccc2 34a_100000753325_100009813875 [0,1,0,0,0,1|2,0,0]=4 4378 B18R2.2417296 NC(=O)C(F)OCc1cccc2c1cccc2 34a_100011216843_100009813875 [0,1,0,0,0,1|1,0,0]=3 4379 B18R2.2417296 NC(=O)C(F)OCc1cccc2c1cccc2 7a_100011216843_100009813875 [0,1,0,0,0,1|1,0,0]=3 4380 B18R2.2417296 NC(=O)C(F)OCc1cccc2c1cccn2 34a_100000709871_100009813875 [0,1,0,0,0,1|2,0,0]=4 4381 B18R2.2417296 NC(=O)C(F)OCc1cccc2c1nccc2 34a_100011303629_100009813875 [0,1,0,0,0,1|2,0,0]=4 4382 B18R2.2417296 NC(=O)C(F)SCc1cccc2c1cccc2 62a_100009813875_100000188474 [0,1,0,0,0,1|1,1,0]=4 4383 B18R2.2417296 NC(=O)C(F)SCc1cccc2c1cccc2 62a_100011261445_100009813875 [0,1,0,0,0,1|1,1,0]=4 4384 B18R2.2417296 O=C([O-])C(F)NCc1cccc2c1cccc2 34a_100000753325_100020610796 [0,1,0,0,0,1|1,0,1]=4 4385 B18R2.2417296 O=C([O-])C(F)OCc1cccc2c1cccc2 34a_100011216843_100020610796 [0,1,0,0,0,1|0,0,1]=3 4386 B18R2.2417296 O=C([O-])C(F)OCc1cccc2c1cccn2 34a_100000709871_100020610796 [0,1,0,0,0,1|1,0,1]=4 4387 B18R2.2417296 O=C([O-])C(F)OCc1cccc2c1nccc2 34a_100011303629_100020610796 [0,1,0,0,0,1|1,0,1]=4 4388 B18R2.2417296 O=C([O-])C(F)SCc1cccc2c1cccc2 62a_100011261445_100020610796 [0,1,0,0,0,1|0,1,1]=4 4389 B18R2.2417296 O=C([O-])C(F)SCc1cccc2c1cccc2 62a_100020610796_100000188474 [0,1,0,0,0,1|0,1,1]=4 4390 B18R2.2455757 CC(C)(O)CCOc1cccc2c1cccc2 34a_100000210388_100000702414 [0,1,0,0,0,1|1,0,1]=4 4391 B18R2.2455757 CC(C)(O)CCOc1cccc2c1cccc2 7a_100000210388_100000702414 [0,1,0,0,0,1|1,0,1]=4 4392 B18R2.2455757 CC(C)(O)COCc1cccc2c1cccc2 34a_100011216843_100000764493 [0,1,0,0,0,1|1,0,1]=4 4393 B18R2.2455757 CC(C)(O)COCc1cccc2c1cccc2 7a_100011216843_100000764493 [0,1,0,0,0,1|1,0,1]=4 4394 B18R2.2455757 CS(=O)(=O)CCOc1cccc2c1cccc2 34a_100000210388_100000731031 [0,1,0,0,0,1|1,0,1]=4 4395 B18R2.2455757 CS(=O)(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000230027 [0,1,0,0,0,1|1,0,1]=4 4396 B18R2.2455757 O=S(=O)([O-])CCOc1cccc2c1cccc2 34a_100000210388_100000762736 [0,1,0,0,0,1|1,0,1]=4 4397 B18R2.2455757 O=S(=O)([O-])COCc1cccc2c1cccc2 34a_100011216843_100009817235 [0,1,0,0,0,1|1,0,1]=4 4398 B18R2.2459307 C=C(C)CO[C@@H](C)c1cccc2c1cccc2 34a_100011852130_100000748629 [0,1,0,0,0,1|2,0,0]=4 4399 B18R2.2459307 C=C(C)CO[C@@H](C)c1cccc2c1cccc2 7a_100011852130_100000748629 [0,1,0,0,0,1|2,0,0]=4 4400 B18R2.2459307 C=C(F)CO[C@@H](C)c1cccc2c1cccc2 34a_100011852130_100009893438 [0,1,0,0,0,1|2,0,0]=4 4401 B18R2.2459307 C=C(F)CO[C@@H](C)c1cccc2c1cccc2 7a_100011852130_100000042424 [0,1,0,0,0,1|2,0,0]=4 4402 B18R2.2459307 CC(=O)CCN(C)c1cccc2c1cccc2 269982a_100000220138_100000053229 [0,1,0,0,0,1|2,0,0]=4 4403 B18R2.2459307 CC(=O)OCN(C)c1cccc2c1cccc2 269982a_100000220138_100000076356 [0,1,0,0,0,1|2,0,0]=4 4404 B18R2.2459307 CC(=O)OCN(C)c1cccc2c1cccc2 34a_100000220138_100009813279 [0,1,0,0,0,1|2,0,0]=4 4405 B18R2.2459307 CC(O)CO[C@@H](C)c1cccc2c1cccc2 34a_100011852130_100011218427 [0,1,0,0,0,1|1,0,1]=4 4406 B18R2.2459307 CC(O)CO[C@@H](C)c1cccc2c1cccc2 7a_100011852130_100011218427 [0,1,0,0,0,1|1,0,1]=4 4407 B18R2.2459307 CN(CCC(=O)N)c1cccc2c1cccc2 2230a_100000220138_100000744528 [0,1,0,0,0,1|2,0,0]=4 4408 B18R2.2459307 CN(CCC(=O)N)c1cccc2c1cccc2 269982a_100000220138_100000744528 [0,1,0,0,0,1|2,0,0]=4 4409 B18R2.2459307 CN(CCC(=O)N)c1cccc2c1cccc2 34a_100000220138_100000731001 [0,1,0,0,0,1|2,0,0]=4 4410 B18R2.2459307 C[C@H](NCC(=O)N)c1cccc2c1cccc2 2230a_100011830313_100000747473 [0,1,0,0,0,1|2,0,0]=4 4411 B18R2.2459307 C[C@H](OCC(=O)N)c1cccc2c1cccc2 34a_100011852130_100000187820 [0,1,0,0,0,1|1,0,0]=3 4412 B18R2.2459307 C[C@H](OCC(=O)N)c1cccc2c1cccc2 7a_100011852130_100000187820 [0,1,0,0,0,1|1,0,0]=3 4413 B18R2.2459307 C[C@H](OCC(=O)[O-])c1cccc2c1cccc2 34a_100011852130_100020667443 [0,1,0,0,0,1|0,0,1]=3 4414 B18R2.2459307 C[C@H](OC[C@@H](C)O)c1cccc2c1cccc2 34a_100011852130_100009817552 [0,1,0,0,0,1|1,0,1]=4 4415 B18R2.2459307 C[C@H](OC[C@@H](C)O)c1cccc2c1cccc2 7a_100011852130_100009817552 [0,1,0,0,0,1|1,0,1]=4 4416 B18R2.2459307 C[C@H](OC[N+](=O)[O-])c1cccc2c1cccc2 34a_100011852130_100000761209 [0,1,0,0,0,1|1,0,1]=4 4417 B18R2.2459307 NC(=O)CNC(=O)c1cccc2c1cccc2 11a_100000711301_100000210949 [0,1,0,0,0,1|2,0,0]=4 4418 B18R2.2459307 NC(=O)CNC(=O)c1cccc2c1cccc2 240690a_100000711301_100000210949 [0,1,0,0,0,1|2,0,0]=4 4419 B18R2.2459307 NC(=O)CNC(=O)c1cccc2c1cccc2 527a_100000711301_100000210949 [0,1,0,0,0,1|2,0,0]=4 4420 B18R2.2880857 CC(=O)CC(=O)Nc1cccc2c1cccc2 1458a_100000070787_100000182872 [0,1,0,0,0,1|2,0,0]=4 4421 B18R2.2880857 CC(=O)OC(C)Sc1cccc2c1cccc2 62a_100009818208_100000210605 [0,1,0,0,0,1|1,1,0]=4 4422 B18R2.2880857 CN(CC(=O)N)Cc1cccc2c1cccc2 2230a_100000739694_100011261445 [0,1,0,0,0,1|2,0,0]=4 4423 B18R2.2880857 CN(CC(=O)N)Cc1cccc2c1cccc2 2230a_100000741213_100000747473 [0,1,0,0,0,1|2,0,0]=4 4424 B18R2.2880857 CN(CC(=O)N)Cc1cccc2c1cccc2 269982a_100000741213_100000187820 [0,1,0,0,0,1|2,0,0]=4 4425 B18R2.2880857 CN(CC(=O)N)Cc1cccc2c1cccc2 270004a_100000739694_100000210074 [0,1,0,0,0,1|2,0,0]=4 4426 B18R2.2880857 CN(CC(=O)O)Cc1cccc2c1cccc2 269956a_100000746989_100000188474 [0,1,0,0,0,1|1,0,0]=3 4427 B18R2.2880857 CN(CC(=O)O)Cc1cccc2c1ccnc2 269956a_100000746989_100016989825 [0,1,0,0,0,1|2,0,0]=4 4428 B18R2.2880857 CN(CC(=O)O)Cc1cccc2c1nccc2 269956a_100000746989_100000241032 [0,1,0,0,0,1|2,0,0]=4 4429 B18R2.2880857 CN(CC(=O)O)Cc1ccnc2c1cccc2 269956a_100000746989_100015192512 [0,1,0,0,0,1|2,0,0]=4 4430 B18R2.2880857 CN(CC(=O)O)Cc1nccc2c1cccc2 269956a_100000746989_100000033776 [0,1,0,0,0,1|2,0,0]=4 4431 B18R2.2880857 CN(CC(=O)[O-])Cc1cccc2c1cccc2 269982a_100000741213_100020667443 [0,1,0,0,0,1|1,0,1]=4 4432 B18R2.2880857 NC(=O)CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100000187820 [0,1,0,0,0,1|2,0,0]=4 4433 B18R2.2880857 NC(=O)CC(=O)Cc1cccc2c1cccc2 1458a_100134613110_100000188474 [0,1,0,0,0,1|2,0,0]=4 4434 B18R2.2880857 NC(=O)CC(=O)Nc1cccc2c1cccc2 22a_100000185869_100134613110 [0,1,0,0,0,1|2,0,0]=4 4435 B18R2.2880857 O=C([O-])CC(=O)Cc1cccc2c1cccc2 1458a_100000186155_100020667443 [0,1,0,0,0,1|1,0,1]=4 4436 B18R2.3132 C=C(C)COc1cccc2c1ccc(c2)OC 34a_100000080647_100000748629 [0,2,0,0,0,0|2,0,0]=4 4437 B18R2.3132 C=C(C)COc1cccc2c1ccc(c2)OC 7a_100000080647_100000748629 [0,2,0,0,0,0|2,0,0]=4 4438 B18R2.3132 C=C(F)COc1cccc2c1ccc(c2)OC 34a_100000080647_100009893438 [0,2,0,0,0,0|2,0,0]=4 4439 B18R2.3132 C=C(F)COc1cccc2c1ccc(c2)OC 7a_100000080647_100000042424 [0,2,0,0,0,0|2,0,0]=4 4440 B18R2.3132 COc1ccc2c(cccc2c1)OCC(=O)N 34a_100000080647_100000187820 [0,2,0,0,0,0|1,0,0]=3 4441 B18R2.3132 COc1ccc2c(cccc2c1)OCC(=O)N 7a_100000080647_100000187820 [0,2,0,0,0,0|1,0,0]=3 4442 B18R2.3132 COc1ccc2c(cccc2c1)OCC(=O)[O-] 34a_100000080647_100020667443 [0,2,0,0,0,0|0,0,1]=3 4443 B18R2.3132 COc1ccc2c(cccc2c1)OCC(C)O 34a_100000080647_100011218427 [0,2,0,0,0,0|1,0,1]=4 4444 B18R2.3132 COc1ccc2c(cccc2c1)OCC(C)O 7a_100000080647_100011218427 [0,2,0,0,0,0|1,0,1]=4 4445 B18R2.3132 COc1ccc2c(cccc2c1)OC[C@@H](C)O 34a_100000080647_100009817552 [0,2,0,0,0,0|1,0,1]=4 4446 B18R2.3132 COc1ccc2c(cccc2c1)OC[C@@H](C)O 7a_100000080647_100009817552 [0,2,0,0,0,0|1,0,1]=4 4447 B18R2.3132 COc1ccc2c(cccc2c1)OC[N+](=O)[O-] 34a_100000080647_100000761209 [0,2,0,0,0,0|1,0,1]=4 4448 B18R2.3132 COc1ccc2c(cccc2c1)SCC(=O)N 62a_100000747473_100010151670 [0,2,0,0,0,0|1,1,0]=4 4449 B18R2.3132 COc1ccc2c(cccc2c1)SCC(=O)[O-] 62a_100020667443_100010151670 [0,2,0,0,0,0|0,1,1]=4 4450 B18R2.3132 COc1ccc2c(nccc2c1)OCC(=O)N 34a_100012180743_100000187820 [0,2,0,0,0,0|2,0,0]=4 4451 B18R2.3132 COc1ccc2c(nccc2c1)OCC(=O)[O-] 34a_100012180743_100020667443 [0,2,0,0,0,0|1,0,1]=4 4452 B18R2.3132 N#Cc1ccc2c(cccc2c1)SCC(=O)N 62a_100000747473_100010090035 [0,2,0,0,0,0|1,1,0]=4 4453 B18R2.3132 N#Cc1ccc2c(cccc2c1)SCC(=O)[O-] 62a_100020667443_100010090035 [0,2,0,0,0,0|0,1,1]=4 4454 B18R2.3132 N#Cc1ccc2c(cccc2n1)OCC(=O)N 7a_100009841945_100000187820 [0,2,0,0,0,0|2,0,0]=4 4455 B18R2.4026 NC(=O)CC(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_100000187820 [0,2,0,0,0,0|2,0,0]=4 4456 B18R2.4026 NC(=O)CC(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_100000187820 [0,2,0,0,0,0|2,0,0]=4 4457 B18R2.4026 O=C([O-])CC(=O)c1cccc2c1ccc(c2)F 1458a_200000098428_100020667443 [0,2,0,0,0,0|1,0,1]=4 4458 B18R2.4026 O=C([O-])CC(=O)c1cccc2c1ccc(c2)O 1458a_100000042678_100020667443 [0,2,0,0,0,0|1,0,1]=4 4459 B18R2.4027 CC(=O)C(C)Oc1cccc2c1ccc(c2)Br 7a_100010202202_100000179758 [0,2,0,0,0,0|1,0,0]=3 4460 B18R2.4027 CC(=O)C(C)Oc1cccc2c1ccc(c2)F 7a_100009846233_100000179758 [0,2,0,0,0,0|1,0,0]=3 4461 B18R2.4027 CC(=O)C(C)Oc1cccc2c1ncc(c2)C 7a_100000144662_100000179758 [0,2,0,0,0,0|2,0,0]=4 4462 B18R2.4027 CC(=O)C(C)Oc1cccc2c1ncc(c2)Cl 7a_100009858588_100000179758 [0,2,0,0,0,0|2,0,0]=4 4463 B18R2.4027 CC(Nc1cccc2c1ccc(c2)Br)C(=O)N 34a_100010090037_100000702099 [0,2,0,0,0,0|2,0,0]=4 4464 B18R2.4027 CC(Nc1cccc2c1ccc(c2)O)C(=O)N 34a_100000034668_100000702099 [0,2,0,0,0,0|2,0,0]=4 4465 B18R2.4027 CC(Oc1cccc2c1ccc(c2)Br)C(=O)N 34a_100010202202_100000702099 [0,2,0,0,0,0|1,0,0]=3 4466 B18R2.4027 CC(Oc1cccc2c1ccc(c2)Br)C(=O)N 7a_100010202202_100000702099 [0,2,0,0,0,0|1,0,0]=3 4467 B18R2.4027 CC(Oc1cccc2c1ccc(c2)F)C(=O)N 34a_100009846233_100000702099 [0,2,0,0,0,0|1,0,0]=3 4468 B18R2.4027 CC(Oc1cccc2c1ccc(c2)F)C(=O)N 7a_100009846233_100000702099 [0,2,0,0,0,0|1,0,0]=3 4469 B18R2.4027 CC(Oc1cccc2c1ccc(c2)N)C(=O)N 34a_100000035793_100000702099 [0,2,0,0,0,0|1,0,0]=3 4470 B18R2.4027 CC(Oc1cccc2c1ncc(c2)Cl)C(=O)N 34a_100009858588_100000702099 [0,2,0,0,0,0|2,0,0]=4 4471 B18R2.4027 CC(Oc1cccc2c1ncc(c2)Cl)C(=O)N 7a_100009858588_100000702099 [0,2,0,0,0,0|2,0,0]=4 4472 B18R2.4027 CC(Oc1ccnc2c1ccc(c2)Cl)C(=O)N 34a_100011215206_100000702099 [0,2,0,0,0,0|2,0,0]=4 4473 B18R2.4027 CC(Oc1ccnc2c1ccc(c2)F)C(=O)N 34a_100000004115_100000702099 [0,2,0,0,0,0|2,0,0]=4 4474 B18R2.4027 CC(Oc1nccc2c1ccc(c2)Br)C(=O)N 34a_100000760485_100000702099 [0,2,0,0,0,0|2,0,0]=4 4475 B18R2.4027 Cc1cnc2c(cccc2c1)OC(C)C(=O)N 34a_100000144662_100000702099 [0,2,0,0,0,0|2,0,0]=4 4476 B18R2.4027 Cc1cnc2c(cccc2c1)OC(C)C(=O)N 7a_100000144662_100000702099 [0,2,0,0,0,0|2,0,0]=4 4477 B18R2.4027 Cc1cnc2c(cccc2c1)OC(F)C(=O)N 34a_100000144662_100009813875 [0,2,0,0,0,0|2,0,0]=4 4478 B18R2.4027 Cc1cnc2c(cccc2c1)OC(F)C(=O)N 7a_100000144662_100009813875 [0,2,0,0,0,0|2,0,0]=4 4479 B18R2.4027 Cc1cnc2c(cccc2c1)OC(F)C(=O)[O-] 34a_100000144662_100020610796 [0,2,0,0,0,0|1,0,1]=4 4480 B18R2.4027 NC(=O)C(F)Nc1cccc2c1ccc(c2)Br 34a_100010090037_100009813875 [0,2,0,0,0,0|2,0,0]=4 4481 B18R2.4027 NC(=O)C(F)Nc1cccc2c1ccc(c2)O 34a_100000034668_100009813875 [0,2,0,0,0,0|2,0,0]=4 4482 B18R2.4027 NC(=O)C(F)Oc1cccc2c1ccc(c2)Br 34a_100010202202_100009813875 [0,2,0,0,0,0|1,0,0]=3 4483 B18R2.4027 NC(=O)C(F)Oc1cccc2c1ccc(c2)Br 7a_100010202202_100009813875 [0,2,0,0,0,0|1,0,0]=3 4484 B18R2.4027 NC(=O)C(F)Oc1cccc2c1ccc(c2)F 34a_100009846233_100009813875 [0,2,0,0,0,0|1,0,0]=3 4485 B18R2.4027 NC(=O)C(F)Oc1cccc2c1ccc(c2)F 7a_100009846233_100009813875 [0,2,0,0,0,0|1,0,0]=3 4486 B18R2.4027 NC(=O)C(F)Oc1cccc2c1ccc(c2)N 34a_100000035793_100009813875 [0,2,0,0,0,0|1,0,0]=3 4487 B18R2.4027 NC(=O)C(F)Oc1cccc2c1ncc(c2)Cl 34a_100009858588_100009813875 [0,2,0,0,0,0|2,0,0]=4 4488 B18R2.4027 NC(=O)C(F)Oc1cccc2c1ncc(c2)Cl 7a_100009858588_100009813875 [0,2,0,0,0,0|2,0,0]=4 4489 B18R2.4027 NC(=O)C(F)Oc1ccnc2c1ccc(c2)Cl 34a_100011215206_100009813875 [0,2,0,0,0,0|2,0,0]=4 4490 B18R2.4027 NC(=O)C(F)Oc1ccnc2c1ccc(c2)F 34a_100000004115_100009813875 [0,2,0,0,0,0|2,0,0]=4 4491 B18R2.4027 NC(=O)C(F)Oc1nccc2c1ccc(c2)Br 34a_100000760485_100009813875 [0,2,0,0,0,0|2,0,0]=4 4492 B18R2.4027 Nc1ccc2c(cccc2c1)OC(F)C(=O)[O-] 34a_100000035793_100020610796 [0,2,0,0,0,0|0,0,1]=3 4493 B18R2.4027 O=C([O-])C(F)Nc1cccc2c1ccc(c2)Br 34a_100010090037_100020610796 [0,2,0,0,0,0|1,0,1]=4 4494 B18R2.4027 O=C([O-])C(F)Nc1cccc2c1ccc(c2)O 34a_100000034668_100020610796 [0,2,0,0,0,0|1,0,1]=4 4495 B18R2.4027 O=C([O-])C(F)Oc1cccc2c1ccc(c2)Br 34a_100010202202_100020610796 [0,2,0,0,0,0|0,0,1]=3 4496 B18R2.4027 O=C([O-])C(F)Oc1cccc2c1ccc(c2)F 34a_100009846233_100020610796 [0,2,0,0,0,0|0,0,1]=3 4497 B18R2.4027 O=C([O-])C(F)Oc1cccc2c1ncc(c2)Cl 34a_100009858588_100020610796 [0,2,0,0,0,0|1,0,1]=4 4498 B18R2.4027 O=C([O-])C(F)Oc1ccnc2c1ccc(c2)Cl 34a_100011215206_100020610796 [0,2,0,0,0,0|1,0,1]=4 4499 B18R2.4027 O=C([O-])C(F)Oc1ccnc2c1ccc(c2)F 34a_100000004115_100020610796 [0,2,0,0,0,0|1,0,1]=4 4500 B18R2.4027 O=C([O-])C(F)Oc1nccc2c1ccc(c2)Br 34a_100000760485_100020610796 [0,2,0,0,0,0|1,0,1]=4 4501 B18R2.32932 CC(C)(O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000764493 [0,2,0,0,0,0|1,0,1]=4 4502 B18R2.32932 CC(C)(O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000764493 [0,2,0,0,0,0|1,0,1]=4 4503 B18R2.32932 CC(C)(O)COc1cccc2c1ccc(c2)F 34a_100009846233_100000764493 [0,2,0,0,0,0|1,0,1]=4 4504 B18R2.32932 CC(C)(O)COc1cccc2c1ccc(c2)F 7a_100009846233_100000764493 [0,2,0,0,0,0|1,0,1]=4 4505 B18R2.32932 CC(C)(O)COc1cccc2c1ccc(c2)N 34a_100000035793_100000764493 [0,2,0,0,0,0|1,0,1]=4 4506 B18R2.32932 Nc1ccc2c(cccc2c1)OCS(=O)(=O)[O-] 34a_100000035793_100009817235 [0,2,0,0,0,0|1,0,1]=4 4507 B18R2.32932 O=S(=O)([O-])COc1cccc2c1ccc(c2)Br 34a_100010202202_100009817235 [0,2,0,0,0,0|1,0,1]=4 4508 B18R2.32932 O=S(=O)([O-])COc1cccc2c1ccc(c2)F 34a_100009846233_100009817235 [0,2,0,0,0,0|1,0,1]=4 4509 B18R2.32999 NC(=O)COc1cc(=O)oc2c1ccc(c2)Br 7a_100010062223_100000187820 [0,2,0,0,0,0|2,0,0]=4 4510 B18R2.32999 NC(=O)COc1cc(=O)oc2c1ccc(c2)F 7a_100009876825_100000187820 [0,2,0,0,0,0|2,0,0]=4 4511 B18R2.65379 C=C(C)COc1cccc2c1cc(c(c2)F)F 34a_100010675338_100000748629 [0,2,0,0,0,0|2,0,0]=4 4512 B18R2.65379 C=C(C)COc1cccc2c1cc(c(c2)F)F 7a_100010675338_100000748629 [0,2,0,0,0,0|2,0,0]=4 4513 B18R2.65379 C=C(F)COc1cccc2c1cc(c(c2)F)F 34a_100010675338_100009893438 [0,2,0,0,0,0|2,0,0]=4 4514 B18R2.65379 C=C(F)COc1cccc2c1cc(c(c2)F)F 7a_100010675338_100000042424 [0,2,0,0,0,0|2,0,0]=4 4515 B18R2.65379 CC(O)COc1cccc2c1cc(c(c2)F)F 34a_100010675338_100011218427 [0,2,0,0,0,0|1,0,1]=4 4516 B18R2.65379 CC(O)COc1cccc2c1cc(c(c2)F)F 7a_100010675338_100011218427 [0,2,0,0,0,0|1,0,1]=4 4517 B18R2.65379 C[C@@H](O)COc1cccc2c1cc(c(c2)F)F 34a_100010675338_100009817552 [0,2,0,0,0,0|1,0,1]=4 4518 B18R2.65379 C[C@@H](O)COc1cccc2c1cc(c(c2)F)F 7a_100010675338_100009817552 [0,2,0,0,0,0|1,0,1]=4 4519 B18R2.65379 NC(=O)COc1cccc2c1cc(c(c2)F)F 34a_100010675338_100000187820 [0,2,0,0,0,0|1,0,0]=3 4520 B18R2.65379 NC(=O)COc1cccc2c1cc(c(c2)F)F 7a_100010675338_100000187820 [0,2,0,0,0,0|1,0,0]=3 4521 B18R2.65379 O=C([O-])COc1cccc2c1cc(c(c2)F)F 34a_100010675338_100020667443 [0,2,0,0,0,0|0,0,1]=3 4522 B18R2.65379 O=[N+]([O-])COc1cccc2c1cc(c(c2)F)F 34a_100010675338_100000761209 [0,2,0,0,0,0|1,0,1]=4 4523 B18R2.95290 C=C(C#N)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000694840 [0,2,0,0,0,0|2,0,0]=4 4524 B18R2.95290 C=C(C#N)COc1cccc2c1ccc(c2)F 34a_100009846233_100000694840 [0,2,0,0,0,0|2,0,0]=4 4525 B18R2.95290 C=C(C#N)COc1cccc2c1ccc(c2)N 34a_100000035793_100000694840 [0,2,0,0,0,0|2,0,0]=4 4526 B18R2.95290 C=CC(O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000730141 [0,2,0,0,0,0|1,0,1]=4 4527 B18R2.95290 C=CC(O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000730141 [0,2,0,0,0,0|1,0,1]=4 4528 B18R2.95290 C=CC(O)COc1cccc2c1ccc(c2)F 34a_100009846233_100000730141 [0,2,0,0,0,0|1,0,1]=4 4529 B18R2.95290 C=CC(O)COc1cccc2c1ccc(c2)F 7a_100009846233_100000730141 [0,2,0,0,0,0|1,0,1]=4 4530 B18R2.95290 C=CC(O)COc1cccc2c1ccc(c2)N 34a_100000035793_100000730141 [0,2,0,0,0,0|1,0,1]=4 4531 B18R2.95290 CCC(=O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000747405 [0,2,0,0,0,0|1,0,0]=3 4532 B18R2.95290 CCC(=O)COc1cccc2c1ccc(c2)F 7a_100009846233_100000747405 [0,2,0,0,0,0|1,0,0]=3 4533 B18R2.95290 CCC(=O)COc1cccc2c1ncc(c2)C 7a_100000144662_100000747405 [0,2,0,0,0,0|2,0,0]=4 4534 B18R2.95290 CCC(=O)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100000747405 [0,2,0,0,0,0|2,0,0]=4 4535 B18R2.95290 CCC(O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100011218378 [0,2,0,0,0,0|1,0,1]=4 4536 B18R2.95290 CCC(O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100011218378 [0,2,0,0,0,0|1,0,1]=4 4537 B18R2.95290 CCC(O)COc1cccc2c1ccc(c2)F 34a_100009846233_100011218378 [0,2,0,0,0,0|1,0,1]=4 4538 B18R2.95290 CCC(O)COc1cccc2c1ccc(c2)F 7a_100009846233_100011218378 [0,2,0,0,0,0|1,0,1]=4 4539 B18R2.95290 CCC(O)COc1cccc2c1ccc(c2)N 34a_100000035793_100011218378 [0,2,0,0,0,0|1,0,1]=4 4540 B18R2.95290 CNC(=O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000183359 [0,2,0,0,0,0|2,0,0]=4 4541 B18R2.95290 CNC(=O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100000183359 [0,2,0,0,0,0|2,0,0]=4 4542 B18R2.95290 CNC(=O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000183359 [0,2,0,0,0,0|1,0,0]=3 4543 B18R2.95290 CNC(=O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000183359 [0,2,0,0,0,0|1,0,0]=3 4544 B18R2.95290 CNC(=O)COc1cccc2c1ccc(c2)F 34a_100009846233_100000183359 [0,2,0,0,0,0|1,0,0]=3 4545 B18R2.95290 CNC(=O)COc1cccc2c1ccc(c2)F 7a_100009846233_100000183359 [0,2,0,0,0,0|1,0,0]=3 4546 B18R2.95290 CNC(=O)COc1cccc2c1ccc(c2)N 34a_100000035793_100000183359 [0,2,0,0,0,0|1,0,0]=3 4547 B18R2.95290 CNC(=O)COc1cccc2c1ncc(c2)C 34a_100000144662_100000183359 [0,2,0,0,0,0|2,0,0]=4 4548 B18R2.95290 CNC(=O)COc1cccc2c1ncc(c2)C 7a_100000144662_100000183359 [0,2,0,0,0,0|2,0,0]=4 4549 B18R2.95290 CNC(=O)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100000183359 [0,2,0,0,0,0|2,0,0]=4 4550 B18R2.95290 CNC(=O)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100000183359 [0,2,0,0,0,0|2,0,0]=4 4551 B18R2.95290 CNC(=O)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000183359 [0,2,0,0,0,0|2,0,0]=4 4552 B18R2.95290 CNC(=O)COc1ccnc2c1ccc(c2)F 34a_100000004115_100000183359 [0,2,0,0,0,0|2,0,0]=4 4553 B18R2.95290 CNC(=O)COc1nccc2c1ccc(c2)Br 34a_100000760485_100000183359 [0,2,0,0,0,0|2,0,0]=4 4554 B18R2.95290 COC(=O)CNc1cccc2c1ccc(c2)Br 34a_100010090037_100000747449 [0,2,0,0,0,0|1,0,0]=3 4555 B18R2.95290 COC(=O)CNc1cccc2c1ccc(c2)O 34a_100000034668_100000747449 [0,2,0,0,0,0|1,0,0]=3 4556 B18R2.95290 COC(=O)CNc1cccc2c1ccc(n2)C 34a_106741707140_100000747449 [0,2,0,0,0,0|2,0,0]=4 4557 B18R2.95290 COC(=O)CNc1cccc2c1ncc(c2)Br 34a_100000702407_100000747449 [0,2,0,0,0,0|2,0,0]=4 4558 B18R2.95290 COC(=O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000747449 [0,2,0,0,0,0|0,0,0]=2 4559 B18R2.95290 COC(=O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000747449 [0,2,0,0,0,0|0,0,0]=2 4560 B18R2.95290 COC(=O)COc1cccc2c1ccc(c2)F 34a_100009846233_100000747449 [0,2,0,0,0,0|0,0,0]=2 4561 B18R2.95290 COC(=O)COc1cccc2c1ccc(c2)F 7a_100009846233_100000747449 [0,2,0,0,0,0|0,0,0]=2 4562 B18R2.95290 COC(=O)COc1cccc2c1ccc(c2)N 34a_100000035793_100000747449 [0,2,0,0,0,0|0,0,0]=2 4563 B18R2.95290 COC(=O)COc1cccc2c1ncc(c2)C 34a_100000144662_100000747449 [0,2,0,0,0,0|1,0,0]=3 4564 B18R2.95290 COC(=O)COc1cccc2c1ncc(c2)C 7a_100000144662_100000747449 [0,2,0,0,0,0|1,0,0]=3 4565 B18R2.95290 COC(=O)COc1cccc2c1ncc(c2)Cl 34a_100009858588_100000747449 [0,2,0,0,0,0|1,0,0]=3 4566 B18R2.95290 COC(=O)COc1cccc2c1ncc(c2)Cl 7a_100009858588_100000747449 [0,2,0,0,0,0|1,0,0]=3 4567 B18R2.95290 COC(=O)COc1ccnc2c1ccc(c2)Cl 34a_100011215206_100000747449 [0,2,0,0,0,0|1,0,0]=3 4568 B18R2.95290 COC(=O)COc1ccnc2c1ccc(c2)F 34a_100000004115_100000747449 [0,2,0,0,0,0|1,0,0]=3 4569 B18R2.95290 COC(=O)COc1nccc2c1ccc(c2)Br 34a_100000760485_100000747449 [0,2,0,0,0,0|1,0,0]=3 4570 B18R2.95290 COC(=O)COc1nccc2c1ncc(c2)Br 34a_100010117065_100000747449 [0,2,0,0,0,0|2,0,0]=4 4571 B18R2.95290 COC(=O)CSc1cccc2c1cc[n+](c2)[O-] 62a_100000747449_200010126733 [0,2,0,0,0,0|1,1,0]=4 4572 B18R2.95290 COC(=O)CSc1cccc2c1ccc(=O)[nH]2 62a_100000747449_100000726145 [0,2,0,0,0,0|1,1,0]=4 4573 B18R2.95290 COC(=O)CSc1cccc2c1ccc(n2)C 62a_100000747449_100010173736 [0,2,0,0,0,0|1,1,0]=4 4574 B18R2.95290 COC(=O)CSc1cccc2c1ccc(n2)C 62a_100010173736_100000747449 [0,2,0,0,0,0|1,1,0]=4 4575 B18R2.95290 COC(=O)CSc1cccc2c1ccc(n2)N 62a_100000723655_100000747449 [0,2,0,0,0,0|1,1,0]=4 4576 B18R2.95290 COC(=O)CSc1cccc2c1cnc(c2)N 62a_100000747449_100010201637 [0,2,0,0,0,0|1,1,0]=4 4577 B18R2.95290 COC(=O)CSc1cccc2c1cnc(c2)N 62a_100010201637_100000747449 [0,2,0,0,0,0|1,1,0]=4 4578 B18R2.95290 COC(=O)CSc1cccc2c1cnc(c2)O 62a_100000747449_100009817091 [0,2,0,0,0,0|1,1,0]=4 4579 B18R2.95290 COC(=O)CSc1ccnc2c1ccc(c2)Cl 62a_100000747449_100012352046 [0,2,0,0,0,0|1,1,0]=4 4580 B18R2.95290 COC(=O)CSc1ccnc2c1ccc(c2)Cl 62a_100012352046_100000747449 [0,2,0,0,0,0|1,1,0]=4 4581 B18R2.95290 COC(=O)CSc1ccnc2c1ccc(c2)F 62a_100000747449_100000755548 [0,2,0,0,0,0|1,1,0]=4 4582 B18R2.95290 COC(=O)CSc1ccnc2c1ccc(c2)F 62a_100000755548_100000747449 [0,2,0,0,0,0|1,1,0]=4 4583 B18R2.95290 COC(=O)CSc1ccnc2c1ccc(c2)O 62a_100000747449_100000045489 [0,2,0,0,0,0|1,1,0]=4 4584 B18R2.95290 COC(=O)CSc1nccc2c1ccc(c2)C 62a_100000747449_100000102439 [0,2,0,0,0,0|1,1,0]=4 4585 B18R2.95290 COC(=O)CSc1nccc2c1ccc(c2)F 62a_100000747449_100000097391 [0,2,0,0,0,0|1,1,0]=4 4586 B18R2.95290 COC(=O)CSc1nccc2c1ccc(c2)O 62a_100000747449_100009867704 [0,2,0,0,0,0|1,1,0]=4 4587 B18R2.95290 C[C@@H](CO)COc1cccc2c1ccc(c2)Br 34a_100010202202_100000059175 [0,2,0,0,0,0|1,0,1]=4 4588 B18R2.95290 C[C@@H](CO)COc1cccc2c1ccc(c2)Br 7a_100010202202_100000059175 [0,2,0,0,0,0|1,0,1]=4 4589 B18R2.95290 C[C@@H](CO)COc1cccc2c1ccc(c2)F 34a_100009846233_100000059175 [0,2,0,0,0,0|1,0,1]=4 4590 B18R2.95290 C[C@@H](CO)COc1cccc2c1ccc(c2)F 7a_100009846233_100000059175 [0,2,0,0,0,0|1,0,1]=4 4591 B18R2.95290 C[C@@H](CO)COc1cccc2c1ccc(c2)N 34a_100000035793_100000059175 [0,2,0,0,0,0|1,0,1]=4 4592 B18R2.95290 Nc1ccc2c(cccc2c1)OCC(O)CO 34a_100000035793_100011219619 [0,2,0,0,0,0|0,0,2]=4 4593 B18R2.95290 Nc1ccc2c(cccc2c1)OC[C@@H](O)CF 34a_100000035793_100015614560 [0,2,0,0,0,0|1,0,1]=4 4594 B18R2.95290 Nc1ccc2c(cccc2c1)OC[C@@H](O)CO 34a_100000035793_100009815848 [0,2,0,0,0,0|0,0,2]=4 4595 B18R2.95290 OCC(O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100011219619 [0,2,0,0,0,0|0,0,2]=4 4596 B18R2.95290 OCC(O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100011219619 [0,2,0,0,0,0|0,0,2]=4 4597 B18R2.95290 OCC(O)COc1cccc2c1ccc(c2)F 34a_100009846233_100011219619 [0,2,0,0,0,0|0,0,2]=4 4598 B18R2.95290 OCC(O)COc1cccc2c1ccc(c2)F 7a_100009846233_100011219619 [0,2,0,0,0,0|0,0,2]=4 4599 B18R2.95290 OC[C@H](O)COc1cccc2c1ccc(c2)Br 34a_100010202202_100009815848 [0,2,0,0,0,0|0,0,2]=4 4600 B18R2.95290 OC[C@H](O)COc1cccc2c1ccc(c2)Br 7a_100010202202_100009815848 [0,2,0,0,0,0|0,0,2]=4 4601 B18R2.95290 OC[C@H](O)COc1cccc2c1ccc(c2)F 34a_100009846233_100009815848 [0,2,0,0,0,0|0,0,2]=4 4602 B18R2.95290 OC[C@H](O)COc1cccc2c1ccc(c2)F 7a_100009846233_100009815848 [0,2,0,0,0,0|0,0,2]=4 4603 B18R2.95290 O[C@@H](CF)COc1cccc2c1ccc(c2)Br 34a_100010202202_100015614560 [0,2,0,0,0,0|1,0,1]=4 4604 B18R2.95290 O[C@@H](CF)COc1cccc2c1ccc(c2)Br 7a_100010202202_100015614560 [0,2,0,0,0,0|1,0,1]=4 4605 B18R2.95290 O[C@@H](CF)COc1cccc2c1ccc(c2)F 34a_100009846233_100015614560 [0,2,0,0,0,0|1,0,1]=4 4606 B18R2.95290 O[C@@H](CF)COc1cccc2c1ccc(c2)F 7a_100009846233_100015614560 [0,2,0,0,0,0|1,0,1]=4 4607 B18R2.359474 Cc1cc(c2c(ccnc2c1)OCC(=O)N)C 34a_200011310558_100000187820 [0,2,0,0,0,0|2,0,0]=4 4608 B18R2.359474 Cc1cc(c2c(ccnc2c1)OCC(=O)[O-])C 34a_200011310558_100020667443 [0,2,0,0,0,0|1,0,1]=4 4609 B18R2.508176 Cc1c(ccc2c1nccc2OCC(=O)N)Cl 34a_200011310538_100000187820 [0,2,0,0,0,0|2,0,0]=4 4610 B18R2.508176 Cc1c(ccc2c1nccc2OCC(=O)[O-])Cl 34a_200011310538_100020667443 [0,2,0,0,0,0|1,0,1]=4 4611 B18R2.508176 NC(=O)COc1ccnc2c1ccc(c2Cl)F 34a_100011066903_100000187820 [0,2,0,0,0,0|2,0,0]=4 4612 B18R2.508176 NC(=O)COc1ccnc2c1ccc(c2F)F 34a_200011410141_100000187820 [0,2,0,0,0,0|2,0,0]=4 4613 B18R2.508176 O=C([O-])COc1ccnc2c1ccc(c2Cl)F 34a_100011066903_100020667443 [0,2,0,0,0,0|1,0,1]=4 4614 B18R2.508176 O=C([O-])COc1ccnc2c1ccc(c2F)F 34a_200011410141_100020667443 [0,2,0,0,0,0|1,0,1]=4 4615 B18R2.742 C=C(C)COc1cc(cc2c1cccc2)OC 34a_200000076035_100000748629 [0,2,0,0,0,0|2,0,0]=4 4616 B18R2.742 C=C(C)COc1cc(cc2c1cccc2)OC 7a_200000076035_100000748629 [0,2,0,0,0,0|2,0,0]=4 4617 B18R2.742 C=C(F)COc1cc(cc2c1cccc2)OC 34a_200000076035_100009893438 [0,2,0,0,0,0|2,0,0]=4 4618 B18R2.742 C=C(F)COc1cc(cc2c1cccc2)OC 7a_200000076035_100000042424 [0,2,0,0,0,0|2,0,0]=4 4619 B18R2.742 COc1cc(c2ccccc2c1)OCC(=O)N 34a_200000076035_100000187820 [0,2,0,0,0,0|1,0,0]=3 4620 B18R2.742 COc1cc(c2ccccc2c1)OCC(=O)N 7a_200000076035_100000187820 [0,2,0,0,0,0|1,0,0]=3 4621 B18R2.742 COc1cc(c2ccccc2c1)OCC(=O)[O-] 34a_200000076035_100020667443 [0,2,0,0,0,0|0,0,1]=3 4622 B18R2.742 COc1cc(c2ccccc2c1)OCC(C)O 34a_200000076035_100011218427 [0,2,0,0,0,0|1,0,1]=4 4623 B18R2.742 COc1cc(c2ccccc2c1)OCC(C)O 7a_200000076035_100011218427 [0,2,0,0,0,0|1,0,1]=4 4624 B18R2.742 COc1cc(c2ccccc2c1)OC[C@@H](C)O 34a_200000076035_100009817552 [0,2,0,0,0,0|1,0,1]=4 4625 B18R2.742 COc1cc(c2ccccc2c1)OC[C@@H](C)O 7a_200000076035_100009817552 [0,2,0,0,0,0|1,0,1]=4 4626 B18R2.742 COc1cc(c2ccccc2c1)OC[N+](=O)[O-] 34a_200000076035_100000761209 [0,2,0,0,0,0|1,0,1]=4 4627 B18R2.742 COc1cc(c2ccccc2c1)SCC(=O)N 62a_100000747473_100010152498 [0,2,0,0,0,0|1,1,0]=4 4628 B18R2.742 COc1cc(c2ccccc2c1)SCC(=O)[O-] 62a_100020667443_100010152498 [0,2,0,0,0,0|0,1,1]=4 4629 B18R2.6163 NC(=O)CC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_100000187820 [0,2,0,0,0,0|2,0,0]=4 4630 B18R2.6163 NC(=O)CC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_100000187820 [0,2,0,0,0,0|2,0,0]=4 4631 B18R2.6163 O=C([O-])CC(=O)c1cc(cc2c1cccc2)Br 1458a_100000752674_100020667443 [0,2,0,0,0,0|1,0,1]=4 4632 B18R2.6163 O=C([O-])CC(=O)c1cc(cc2c1cccc2)O 1458a_100009841457_100020667443 [0,2,0,0,0,0|1,0,1]=4 4633 B18R2.6164 CC(=O)C(C)Oc1cc(cc2c1cccc2)Br 7a_100010089979_100000179758 [0,2,0,0,0,0|1,0,0]=3 4634 B18R2.6164 CC(=O)C(C)Oc1cc(cc2c1nccc2)Br 7a_100010248853_100000179758 [0,2,0,0,0,0|2,0,0]=4 4635 B18R2.6164 CC(=O)C(C)Oc1cc(cc2c1nccc2)C 7a_100009888445_100000179758 [0,2,0,0,0,0|2,0,0]=4 4636 B18R2.6164 CC(=O)C(C)Oc1cc(cc2c1nccc2)Cl 7a_200000089624_100000179758 [0,2,0,0,0,0|2,0,0]=4 4637 B18R2.6164 CC(=O)C(C)Sc1cc(cc2c1cccc2)N 62a_100009814033_100010089974 [0,2,0,0,0,0|1,1,0]=4 4638 B18R2.6164 CC(=O)C(C)Sc1cc(cc2c1cccc2)N 62a_100010089974_100009814033 [0,2,0,0,0,0|1,1,0]=4 4639 B18R2.6164 CC(=O)C(C)Sc1cc(cc2c1cccc2)O 62a_100009814033_100010001680 [0,2,0,0,0,0|1,1,0]=4 4640 B18R2.6164 CC(Nc1cc(cc2c1cccc2)Br)C(=O)N 34a_100010171453_100000702099 [0,2,0,0,0,0|2,0,0]=4 4641 B18R2.6164 CC(Oc1cc(cc2c1cccc2)Br)C(=O)N 34a_100010089979_100000702099 [0,2,0,0,0,0|1,0,0]=3 4642 B18R2.6164 CC(Oc1cc(cc2c1cccc2)Br)C(=O)N 7a_100010089979_100000702099 [0,2,0,0,0,0|1,0,0]=3 4643 B18R2.6164 CC(Oc1cc(cc2c1nccc2)Br)C(=O)N 34a_100010248853_100000702099 [0,2,0,0,0,0|2,0,0]=4 4644 B18R2.6164 CC(Oc1cc(cc2c1nccc2)Br)C(=O)N 7a_100010248853_100000702099 [0,2,0,0,0,0|2,0,0]=4 4645 B18R2.6164 CC(Oc1cc(cc2c1nccc2)Cl)C(=O)N 34a_200000089624_100000702099 [0,2,0,0,0,0|2,0,0]=4 4646 B18R2.6164 CC(Oc1cc(cc2c1nccc2)Cl)C(=O)N 7a_200000089624_100000702099 [0,2,0,0,0,0|2,0,0]=4 4647 B18R2.6164 CC(Sc1cc(cc2c1cccc2)N)C(=O)N 62a_100000702099_100010089974 [0,2,0,0,0,0|1,1,0]=4 4648 B18R2.6164 CC(Sc1cc(cc2c1cccc2)N)C(=O)N 62a_100010089974_100000702099 [0,2,0,0,0,0|1,1,0]=4 4649 B18R2.6164 CC(Sc1cc(cc2c1cccc2)O)C(=O)N 62a_100000702099_100010001680 [0,2,0,0,0,0|1,1,0]=4 4650 B18R2.6164 Cc1cc(c2ccccc2n1)OC(C)C(=O)N 34a_100000698765_100000702099 [0,2,0,0,0,0|2,0,0]=4 4651 B18R2.6164 Cc1cc(c2ccccc2n1)OC(F)C(=O)N 34a_100000698765_100009813875 [0,2,0,0,0,0|2,0,0]=4 4652 B18R2.6164 Cc1cc(c2ccccc2n1)OC(F)C(=O)[O-] 34a_100000698765_100020610796 [0,2,0,0,0,0|1,0,1]=4 4653 B18R2.6164 Cc1cc(c2ncccc2c1)OC(C)C(=O)N 34a_100009888445_100000702099 [0,2,0,0,0,0|2,0,0]=4 4654 B18R2.6164 Cc1cc(c2ncccc2c1)OC(C)C(=O)N 7a_100009888445_100000702099 [0,2,0,0,0,0|2,0,0]=4 4655 B18R2.6164 Cc1cc(c2ncccc2c1)OC(F)C(=O)N 34a_100009888445_100009813875 [0,2,0,0,0,0|2,0,0]=4 4656 B18R2.6164 Cc1cc(c2ncccc2c1)OC(F)C(=O)N 7a_100009888445_100009813875 [0,2,0,0,0,0|2,0,0]=4 4657 B18R2.6164 Cc1cc(c2ncccc2c1)OC(F)C(=O)[O-] 34a_100009888445_100020610796 [0,2,0,0,0,0|1,0,1]=4 4658 B18R2.6164 NC(=O)C(F)Nc1cc(cc2c1cccc2)Br 34a_100010171453_100009813875 [0,2,0,0,0,0|2,0,0]=4 4659 B18R2.6164 NC(=O)C(F)Oc1cc(cc2c1cccc2)Br 34a_100010089979_100009813875 [0,2,0,0,0,0|1,0,0]=3 4660 B18R2.6164 NC(=O)C(F)Oc1cc(cc2c1cccc2)Br 7a_100010089979_100009813875 [0,2,0,0,0,0|1,0,0]=3 4661 B18R2.6164 NC(=O)C(F)Oc1cc(cc2c1nccc2)Br 34a_100010248853_100009813875 [0,2,0,0,0,0|2,0,0]=4 4662 B18R2.6164 NC(=O)C(F)Oc1cc(cc2c1nccc2)Br 7a_100010248853_100009813875 [0,2,0,0,0,0|2,0,0]=4 4663 B18R2.6164 NC(=O)C(F)Oc1cc(cc2c1nccc2)Cl 34a_200000089624_100009813875 [0,2,0,0,0,0|2,0,0]=4 4664 B18R2.6164 NC(=O)C(F)Oc1cc(cc2c1nccc2)Cl 7a_200000089624_100009813875 [0,2,0,0,0,0|2,0,0]=4 4665 B18R2.6164 NC(=O)C(F)Sc1cc(cc2c1cccc2)N 62a_100009813875_100010089974 [0,2,0,0,0,0|1,1,0]=4 4666 B18R2.6164 NC(=O)C(F)Sc1cc(cc2c1cccc2)N 62a_100010089974_100009813875 [0,2,0,0,0,0|1,1,0]=4 4667 B18R2.6164 NC(=O)C(F)Sc1cc(cc2c1cccc2)O 62a_100009813875_100010001680 [0,2,0,0,0,0|1,1,0]=4 4668 B18R2.6164 Nc1cc(c2ccccc2c1)SC(F)C(=O)[O-] 62a_100010089974_100020610796 [0,2,0,0,0,0|0,1,1]=4 4669 B18R2.6164 Nc1cc(c2ccccc2c1)SC(F)C(=O)[O-] 62a_100020610796_100010089974 [0,2,0,0,0,0|0,1,1]=4 4670 B18R2.6164 O=C([O-])C(F)Nc1cc(cc2c1cccc2)Br 34a_100010171453_100020610796 [0,2,0,0,0,0|1,0,1]=4 4671 B18R2.6164 O=C([O-])C(F)Oc1cc(cc2c1cccc2)Br 34a_100010089979_100020610796 [0,2,0,0,0,0|0,0,1]=3 4672 B18R2.6164 O=C([O-])C(F)Oc1cc(cc2c1nccc2)Br 34a_100010248853_100020610796 [0,2,0,0,0,0|1,0,1]=4 4673 B18R2.6164 O=C([O-])C(F)Oc1cc(cc2c1nccc2)Cl 34a_200000089624_100020610796 [0,2,0,0,0,0|1,0,1]=4 4674 B18R2.6164 O=C([O-])C(F)Sc1cc(cc2c1cccc2)O 62a_100020610796_100010001680 [0,2,0,0,0,0|0,1,1]=4 4675 B18R2.60902 CC(C)(O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000764493 [0,2,0,0,0,0|1,0,1]=4 4676 B18R2.60902 CC(C)(O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000764493 [0,2,0,0,0,0|1,0,1]=4 4677 B18R2.60902 O=S(=O)([O-])COc1cc(cc2c1cccc2)Br 34a_100010089979_100009817235 [0,2,0,0,0,0|1,0,1]=4 4678 B18R2.95340 C=C(C#N)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000694840 [0,2,0,0,0,0|2,0,0]=4 4679 B18R2.95340 C=CC(O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000730141 [0,2,0,0,0,0|1,0,1]=4 4680 B18R2.95340 C=CC(O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000730141 [0,2,0,0,0,0|1,0,1]=4 4681 B18R2.95340 CCC(=O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000747405 [0,2,0,0,0,0|1,0,0]=3 4682 B18R2.95340 CCC(=O)COc1cc(cc2c1nccc2)Br 7a_100010248853_100000747405 [0,2,0,0,0,0|2,0,0]=4 4683 B18R2.95340 CCC(=O)COc1cc(cc2c1nccc2)C 7a_100009888445_100000747405 [0,2,0,0,0,0|2,0,0]=4 4684 B18R2.95340 CCC(=O)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100000747405 [0,2,0,0,0,0|2,0,0]=4 4685 B18R2.95340 CCC(=O)CSc1cc(cc2c1cccc2)N 62a_100000747405_100010089974 [0,2,0,0,0,0|1,1,0]=4 4686 B18R2.95340 CCC(=O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000747405 [0,2,0,0,0,0|1,1,0]=4 4687 B18R2.95340 CCC(=O)CSc1cc(cc2c1cccc2)O 62a_100000747405_100010001680 [0,2,0,0,0,0|1,1,0]=4 4688 B18R2.95340 CCC(O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100011218378 [0,2,0,0,0,0|1,0,1]=4 4689 B18R2.95340 CCC(O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100011218378 [0,2,0,0,0,0|1,0,1]=4 4690 B18R2.95340 CNC(=O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000183359 [0,2,0,0,0,0|2,0,0]=4 4691 B18R2.95340 CNC(=O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000183359 [0,2,0,0,0,0|1,0,0]=3 4692 B18R2.95340 CNC(=O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000183359 [0,2,0,0,0,0|1,0,0]=3 4693 B18R2.95340 CNC(=O)COc1cc(cc2c1nccc2)Br 34a_100010248853_100000183359 [0,2,0,0,0,0|2,0,0]=4 4694 B18R2.95340 CNC(=O)COc1cc(cc2c1nccc2)Br 7a_100010248853_100000183359 [0,2,0,0,0,0|2,0,0]=4 4695 B18R2.95340 CNC(=O)COc1cc(cc2c1nccc2)C 34a_100009888445_100000183359 [0,2,0,0,0,0|2,0,0]=4 4696 B18R2.95340 CNC(=O)COc1cc(cc2c1nccc2)C 7a_100009888445_100000183359 [0,2,0,0,0,0|2,0,0]=4 4697 B18R2.95340 CNC(=O)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100000183359 [0,2,0,0,0,0|2,0,0]=4 4698 B18R2.95340 CNC(=O)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100000183359 [0,2,0,0,0,0|2,0,0]=4 4699 B18R2.95340 CNC(=O)COc1cc(nc2c1cccc2)C 34a_100000698765_100000183359 [0,2,0,0,0,0|2,0,0]=4 4700 B18R2.95340 CNC(=O)CSc1cc(cc2c1cccc2)N 62a_100000183359_100010089974 [0,2,0,0,0,0|1,1,0]=4 4701 B18R2.95340 CNC(=O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000183359 [0,2,0,0,0,0|1,1,0]=4 4702 B18R2.95340 CNC(=O)CSc1cc(cc2c1cccc2)O 62a_100000183359_100010001680 [0,2,0,0,0,0|1,1,0]=4 4703 B18R2.95340 COC(=O)CNc1cc(cc2c1cccc2)Br 34a_100010171453_100000747449 [0,2,0,0,0,0|1,0,0]=3 4704 B18R2.95340 COC(=O)CNc1cc(cc2c1nccc2)Br 34a_100009814519_100000747449 [0,2,0,0,0,0|2,0,0]=4 4705 B18R2.95340 COC(=O)CNc1cc(cc2c1nccc2)Cl 34a_100000026717_100000747449 [0,2,0,0,0,0|2,0,0]=4 4706 B18R2.95340 COC(=O)CNc1cc(cc2c1nccc2)F 34a_100000088212_100000747449 [0,2,0,0,0,0|2,0,0]=4 4707 B18R2.95340 COC(=O)CNc1cc(cc2c1nccc2)O 34a_100000083691_100000747449 [0,2,0,0,0,0|2,0,0]=4 4708 B18R2.95340 COC(=O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000747449 [0,2,0,0,0,0|0,0,0]=2 4709 B18R2.95340 COC(=O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000747449 [0,2,0,0,0,0|0,0,0]=2 4710 B18R2.95340 COC(=O)COc1cc(cc2c1nccc2)Br 34a_100010248853_100000747449 [0,2,0,0,0,0|1,0,0]=3 4711 B18R2.95340 COC(=O)COc1cc(cc2c1nccc2)Br 7a_100010248853_100000747449 [0,2,0,0,0,0|1,0,0]=3 4712 B18R2.95340 COC(=O)COc1cc(cc2c1nccc2)C 34a_100009888445_100000747449 [0,2,0,0,0,0|1,0,0]=3 4713 B18R2.95340 COC(=O)COc1cc(cc2c1nccc2)C 7a_100009888445_100000747449 [0,2,0,0,0,0|1,0,0]=3 4714 B18R2.95340 COC(=O)COc1cc(cc2c1nccc2)Cl 34a_200000089624_100000747449 [0,2,0,0,0,0|1,0,0]=3 4715 B18R2.95340 COC(=O)COc1cc(cc2c1nccc2)Cl 7a_200000089624_100000747449 [0,2,0,0,0,0|1,0,0]=3 4716 B18R2.95340 COC(=O)COc1cc(nc2c1cccc2)C 34a_100000698765_100000747449 [0,2,0,0,0,0|1,0,0]=3 4717 B18R2.95340 COC(=O)CSc1c[n+](cc2c1cccc2)[O-] 62a_100000747449_100009995557 [0,2,0,0,0,0|1,1,0]=4 4718 B18R2.95340 COC(=O)CSc1cc(=O)[nH]c2c1cccc2 62a_100000747449_100000075698 [0,2,0,0,0,0|1,1,0]=4 4719 B18R2.95340 COC(=O)CSc1cc(cc2c1cccc2)N 62a_100000747449_100010089974 [0,2,0,0,0,0|0,1,0]=3 4720 B18R2.95340 COC(=O)CSc1cc(cc2c1cccc2)N 62a_100010089974_100000747449 [0,2,0,0,0,0|0,1,0]=3 4721 B18R2.95340 COC(=O)CSc1cc(cc2c1cccc2)O 62a_100000747449_100010001680 [0,2,0,0,0,0|0,1,0]=3 4722 B18R2.95340 COC(=O)CSc1cc(cc2c1cncc2)O 62a_100000747449_100011009069 [0,2,0,0,0,0|1,1,0]=4 4723 B18R2.95340 COC(=O)CSc1cc(cc2c1nccc2)Br 62a_100000747449_100010090713 [0,2,0,0,0,0|1,1,0]=4 4724 B18R2.95340 COC(=O)CSc1cc(cc2c1nccc2)Br 62a_100010090713_100000747449 [0,2,0,0,0,0|1,1,0]=4 4725 B18R2.95340 COC(=O)CSc1cc(cc2c1nccc2)C 62a_100000747449_100010113427 [0,2,0,0,0,0|1,1,0]=4 4726 B18R2.95340 COC(=O)CSc1cc(cc2c1nccc2)F 62a_100000747449_100010214460 [0,2,0,0,0,0|1,1,0]=4 4727 B18R2.95340 COC(=O)CSc1cc(cc2c1nccc2)F 62a_100010214460_100000747449 [0,2,0,0,0,0|1,1,0]=4 4728 B18R2.95340 COC(=O)CSc1cc(nc2c1cccc2)C 62a_100000747449_100000735862 [0,2,0,0,0,0|1,1,0]=4 4729 B18R2.95340 COC(=O)CSc1cc(nc2c1cccc2)C 62a_100000764982_100000747449 [0,2,0,0,0,0|1,1,0]=4 4730 B18R2.95340 COC(=O)CSc1nc(cc2c1cccc2)C 62a_100000747449_100000698243 [0,2,0,0,0,0|1,1,0]=4 4731 B18R2.95340 COC(=O)CSc1nc(cc2c1cccc2)N 62a_100000747449_100009814382 [0,2,0,0,0,0|1,1,0]=4 4732 B18R2.95340 COC(=O)CSc1nc(cc2c1cccc2)N 62a_100009814382_100000747449 [0,2,0,0,0,0|1,1,0]=4 4733 B18R2.95340 C[C@@H](CO)COc1cc(cc2c1cccc2)Br 34a_100010089979_100000059175 [0,2,0,0,0,0|1,0,1]=4 4734 B18R2.95340 C[C@@H](CO)COc1cc(cc2c1cccc2)Br 7a_100010089979_100000059175 [0,2,0,0,0,0|1,0,1]=4 4735 B18R2.95340 OCC(O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100011219619 [0,2,0,0,0,0|0,0,2]=4 4736 B18R2.95340 OCC(O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100011219619 [0,2,0,0,0,0|0,0,2]=4 4737 B18R2.95340 OC[C@H](O)COc1cc(cc2c1cccc2)Br 34a_100010089979_100009815848 [0,2,0,0,0,0|0,0,2]=4 4738 B18R2.95340 OC[C@H](O)COc1cc(cc2c1cccc2)Br 7a_100010089979_100009815848 [0,2,0,0,0,0|0,0,2]=4 4739 B18R2.95340 O[C@@H](CF)COc1cc(cc2c1cccc2)Br 34a_100010089979_100015614560 [0,2,0,0,0,0|1,0,1]=4 4740 B18R2.95340 O[C@@H](CF)COc1cc(cc2c1cccc2)Br 7a_100010089979_100015614560 [0,2,0,0,0,0|1,0,1]=4 4741 B18R2.481171 Cc1cc(c2cccc(c2n1)C)OCC(=O)N 34a_100000689609_100000187820 [0,2,0,0,0,0|2,0,0]=4 4742 B18R2.481171 Cc1cc(c2cccc(c2n1)C)OCC(=O)[O-] 34a_100000689609_100020667443 [0,2,0,0,0,0|1,0,1]=4 4743 B18R2.481171 Cc1cc(c2cccc(c2n1)Cl)OCC(=O)N 34a_200000182167_100000187820 [0,2,0,0,0,0|2,0,0]=4 4744 B18R2.481171 Cc1cc(c2cccc(c2n1)Cl)OCC(=O)[O-] 34a_200000182167_100020667443 [0,2,0,0,0,0|1,0,1]=4 4745 B18R2.481171 Cc1cc(c2cccc(c2n1)F)OCC(=O)N 34a_100000689687_100000187820 [0,2,0,0,0,0|2,0,0]=4 4746 B18R2.481171 Cc1cc(c2cccc(c2n1)F)OCC(=O)[O-] 34a_100000689687_100020667443 [0,2,0,0,0,0|1,0,1]=4 4747 B18R2.491080 Cc1cc(c2cc(ccc2n1)F)OCC(=O)N 34a_100000005365_100000187820 [0,2,0,0,0,0|2,0,0]=4 4748 B18R2.491080 Cc1cc(c2cc(ccc2n1)F)OCC(=O)[O-] 34a_100000005365_100020667443 [0,2,0,0,0,0|1,0,1]=4 4749 B18R2.491080 Cc1ccc2oc(=O)cc(c2c1)OCC(=O)N 7a_100000008869_100000187820 [0,2,0,0,0,0|2,0,0]=4 4750 B18R2.491080 NC(=O)COc1cc(=O)oc2c1cc(cc2)Br 7a_100009814091_100000187820 [0,2,0,0,0,0|2,0,0]=4 4751 B18R2.491080 NC(=O)COc1cc(=O)oc2c1cc(cc2)Cl 7a_100000038020_100000187820 [0,2,0,0,0,0|2,0,0]=4 4752 B18R2.491080 NC(=O)COc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_100000187820 [0,2,0,0,0,0|2,0,0]=4 4753 B18R2.491080 NC(=O)COc1cc(=O)oc2c1cc(cc2)F 7a_100000038269_100000187820 [0,2,0,0,0,0|2,0,0]=4 4754 B18R2.491080 O=C([O-])COc1cc(=O)oc2c1cc(cc2)F 34a_100000038269_100020667443 [0,2,0,0,0,0|1,0,1]=4 4755 B18R2.1714 C=C(C)COc1c(ccc2c1cccc2)N=O 34a_100000212301_100000748629 [0,2,0,0,0,0|2,0,0]=4 4756 B18R2.1714 C=C(F)COc1c(ccc2c1cccc2)N=O 34a_100000212301_100009893438 [0,2,0,0,0,0|2,0,0]=4 4757 B18R2.1714 CC(O)COc1c(ccc2c1cccc2)N=O 34a_100000212301_100011218427 [0,2,0,0,0,0|1,0,1]=4 4758 B18R2.1714 COc1ccc2ccccc2c1CCC(=O)C 1458a_200000337944_200000210301 [0,2,0,0,0,0|2,0,0]=4 4759 B18R2.1714 COc1ccc2ccccc2c1CCC(=O)[13CH3] 1458a_200000337944_200025704644 [0,2,0,0,0,0|2,0,0]=4 4760 B18R2.1714 COc1ccc2ccccc2c1NCC(=O)N 34a_100009884440_100000187820 [0,2,0,0,0,0|2,0,0]=4 4761 B18R2.1714 COc1ccc2ccccc2c1NCC(=O)[O-] 34a_100009884440_100020667443 [0,2,0,0,0,0|1,0,1]=4 4762 B18R2.1714 COc1ccc2ccccc2c1SCC(=O)N 62a_100000747473_100000173347 [0,2,0,0,0,0|1,1,0]=4 4763 B18R2.1714 COc1ccc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100000173347 [0,2,0,0,0,0|0,1,1]=4 4764 B18R2.1714 C[C@@H](O)COc1c(ccc2c1cccc2)N=O 34a_100000212301_100009817552 [0,2,0,0,0,0|1,0,1]=4 4765 B18R2.1714 NC(=O)COc1c(ccc2c1cccc2)N=O 34a_100000212301_100000187820 [0,2,0,0,0,0|1,0,0]=3 4766 B18R2.1714 NC(=O)CSc1c(ccc2c1cccc2)C=O 62a_100000747473_100009813496 [0,2,0,0,0,0|1,1,0]=4 4767 B18R2.1714 NC(=O)CSc1c(ccc2c1cccc2)C=O 62a_100009813496_100000747473 [0,2,0,0,0,0|1,1,0]=4 4768 B18R2.1714 O=Cc1ccc2ccccc2c1SCC(=O)[O-] 62a_100009813496_100020667443 [0,2,0,0,0,0|0,1,1]=4 4769 B18R2.1714 O=Cc1ccc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100009813496 [0,2,0,0,0,0|0,1,1]=4 4770 B18R2.1714 O=Nc1ccc2ccccc2c1OCC(=O)[O-] 34a_100000212301_100020667443 [0,2,0,0,0,0|0,0,1]=3 4771 B18R2.1714 O=Nc1ccc2ccccc2c1OC[N+](=O)[O-] 34a_100000212301_100000761209 [0,2,0,0,0,0|1,0,1]=4 4772 B18R2.6550 Cc1ccc2ccccc2c1C(=O)CC(=O)N 1458a_100011933975_100000187820 [0,2,0,0,0,0|2,0,0]=4 4773 B18R2.6550 Cc1ccc2ccccc2c1C(=O)CC(=O)[O-] 1458a_100011933975_100020667443 [0,2,0,0,0,0|1,0,1]=4 4774 B18R2.6550 NC(=O)CC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_100000187820 [0,2,0,0,0,0|2,0,0]=4 4775 B18R2.6550 O=C([O-])CC(=O)c1c(ccc2c1cccc2)O 1458a_100011219592_100020667443 [0,2,0,0,0,0|1,0,1]=4 4776 B18R2.6551 CC(=O)C(C)Oc1c(ccc2c1cccc2)Br 7a_100009996032_100000179758 [0,2,0,0,0,0|1,0,0]=3 4777 B18R2.6551 CC(=O)C(C)Oc1c(ccc2c1cccc2)C 7a_100000039261_100000179758 [0,2,0,0,0,0|1,0,0]=3 4778 B18R2.6551 CC(=O)C(C)Oc1c(ccc2c1nccc2)Cl 7a_100000700379_100000179758 [0,2,0,0,0,0|2,0,0]=4 4779 B18R2.6551 CC(=O)C(C)Sc1c(ccc2c1cccc2)Br 62a_100009814033_100010090040 [0,2,0,0,0,0|1,1,0]=4 4780 B18R2.6551 CC(=O)C(C)Sc1c(ccc2c1cccc2)Br 62a_100010090040_100009814033 [0,2,0,0,0,0|1,1,0]=4 4781 B18R2.6551 CC(=O)C(C)Sc1c(ccc2c1cccc2)C 62a_100000759710_100009814033 [0,2,0,0,0,0|1,1,0]=4 4782 B18R2.6551 CC(=O)C(C)Sc1c(ccc2c1cccc2)C 62a_100009814033_100000759710 [0,2,0,0,0,0|1,1,0]=4 4783 B18R2.6551 CC(=O)C(C)Sc1c(ccc2c1cccc2)N 62a_100000705303_100009814033 [0,2,0,0,0,0|1,1,0]=4 4784 B18R2.6551 CC(=O)C(C)Sc1c(ccc2c1cccc2)N 62a_100009814033_100000705303 [0,2,0,0,0,0|1,1,0]=4 4785 B18R2.6551 CC(=O)C(C)Sc1c(ccc2c1cccc2)O 62a_100009814033_100000183829 [0,2,0,0,0,0|1,1,0]=4 4786 B18R2.6551 CC(Nc1c(ccc2c1cccc2)Br)C(=O)N 34a_100009817101_100000702099 [0,2,0,0,0,0|2,0,0]=4 4787 B18R2.6551 CC(Nc1c(ccc2c1cccc2)Cl)C(=O)N 34a_200009860907_100000702099 [0,2,0,0,0,0|2,0,0]=4 4788 B18R2.6551 CC(Nc1c(ccc2c1cccc2)O)C(=O)N 34a_100000007056_100000702099 [0,2,0,0,0,0|2,0,0]=4 4789 B18R2.6551 CC(Oc1c(ccc2c1cccc2)Br)C(=O)N 34a_100009996032_100000702099 [0,2,0,0,0,0|1,0,0]=3 4790 B18R2.6551 CC(Oc1c(ccc2c1cccc2)Br)C(=O)N 7a_100009996032_100000702099 [0,2,0,0,0,0|1,0,0]=3 4791 B18R2.6551 CC(Oc1c(ccc2c1cccc2)N)C(=O)N 34a_100000007060_100000702099 [0,2,0,0,0,0|1,0,0]=3 4792 B18R2.6551 CC(Oc1c(ccc2c1nccc2)Br)C(=O)N 34a_100009816563_100000702099 [0,2,0,0,0,0|2,0,0]=4 4793 B18R2.6551 CC(Oc1c(ccc2c1nccc2)Cl)C(=O)N 34a_100000700379_100000702099 [0,2,0,0,0,0|2,0,0]=4 4794 B18R2.6551 CC(Oc1c(ccc2c1nccc2)Cl)C(=O)N 7a_100000700379_100000702099 [0,2,0,0,0,0|2,0,0]=4 4795 B18R2.6551 CC(Sc1c(ccc2c1cccc2)Br)C(=O)N 62a_100000702099_100010090040 [0,2,0,0,0,0|1,1,0]=4 4796 B18R2.6551 CC(Sc1c(ccc2c1cccc2)Br)C(=O)N 62a_100010090040_100000702099 [0,2,0,0,0,0|1,1,0]=4 4797 B18R2.6551 CC(Sc1c(ccc2c1cccc2)N)C(=O)N 62a_100000702099_100000705303 [0,2,0,0,0,0|1,1,0]=4 4798 B18R2.6551 CC(Sc1c(ccc2c1cccc2)N)C(=O)N 62a_100000705303_100000702099 [0,2,0,0,0,0|1,1,0]=4 4799 B18R2.6551 CC(Sc1c(ccc2c1cccc2)O)C(=O)N 62a_100000702099_100000183829 [0,2,0,0,0,0|1,1,0]=4 4800 B18R2.6551 Cc1ccc2ccccc2c1NC(C)C(=O)N 34a_100000688109_100000702099 [0,2,0,0,0,0|2,0,0]=4 4801 B18R2.6551 Cc1ccc2ccccc2c1NC(F)C(=O)N 34a_100000688109_100009813875 [0,2,0,0,0,0|2,0,0]=4 4802 B18R2.6551 Cc1ccc2ccccc2c1NC(F)C(=O)[O-] 34a_100000688109_100020610796 [0,2,0,0,0,0|1,0,1]=4 4803 B18R2.6551 Cc1ccc2ccccc2c1OC(C)C(=O)N 34a_100000039261_100000702099 [0,2,0,0,0,0|1,0,0]=3 4804 B18R2.6551 Cc1ccc2ccccc2c1OC(C)C(=O)N 7a_100000039261_100000702099 [0,2,0,0,0,0|1,0,0]=3 4805 B18R2.6551 Cc1ccc2ccccc2c1OC(F)C(=O)N 34a_100000039261_100009813875 [0,2,0,0,0,0|1,0,0]=3 4806 B18R2.6551 Cc1ccc2ccccc2c1OC(F)C(=O)N 7a_100000039261_100009813875 [0,2,0,0,0,0|1,0,0]=3 4807 B18R2.6551 Cc1ccc2ccccc2c1OC(F)C(=O)[O-] 34a_100000039261_100020610796 [0,2,0,0,0,0|0,0,1]=3 4808 B18R2.6551 Cc1ccc2ccccc2c1SC(C)C(=O)N 62a_100000702099_100000759710 [0,2,0,0,0,0|1,1,0]=4 4809 B18R2.6551 Cc1ccc2ccccc2c1SC(C)C(=O)N 62a_100000759710_100000702099 [0,2,0,0,0,0|1,1,0]=4 4810 B18R2.6551 Cc1ccc2ccccc2c1SC(F)C(=O)N 62a_100000759710_100009813875 [0,2,0,0,0,0|1,1,0]=4 4811 B18R2.6551 Cc1ccc2ccccc2c1SC(F)C(=O)N 62a_100009813875_100000759710 [0,2,0,0,0,0|1,1,0]=4 4812 B18R2.6551 Cc1ccc2ccccc2c1SC(F)C(=O)[O-] 62a_100000759710_100020610796 [0,2,0,0,0,0|0,1,1]=4 4813 B18R2.6551 Cc1ccc2ccccc2c1SC(F)C(=O)[O-] 62a_100020610796_100000759710 [0,2,0,0,0,0|0,1,1]=4 4814 B18R2.6551 NC(=O)C(F)Nc1c(ccc2c1cccc2)Br 34a_100009817101_100009813875 [0,2,0,0,0,0|2,0,0]=4 4815 B18R2.6551 NC(=O)C(F)Nc1c(ccc2c1cccc2)Cl 34a_200009860907_100009813875 [0,2,0,0,0,0|2,0,0]=4 4816 B18R2.6551 NC(=O)C(F)Nc1c(ccc2c1cccc2)O 34a_100000007056_100009813875 [0,2,0,0,0,0|2,0,0]=4 4817 B18R2.6551 NC(=O)C(F)Oc1c(ccc2c1cccc2)Br 34a_100009996032_100009813875 [0,2,0,0,0,0|1,0,0]=3 4818 B18R2.6551 NC(=O)C(F)Oc1c(ccc2c1cccc2)Br 7a_100009996032_100009813875 [0,2,0,0,0,0|1,0,0]=3 4819 B18R2.6551 NC(=O)C(F)Oc1c(ccc2c1cccc2)N 34a_100000007060_100009813875 [0,2,0,0,0,0|1,0,0]=3 4820 B18R2.6551 NC(=O)C(F)Oc1c(ccc2c1nccc2)Br 34a_100009816563_100009813875 [0,2,0,0,0,0|2,0,0]=4 4821 B18R2.6551 NC(=O)C(F)Oc1c(ccc2c1nccc2)Cl 34a_100000700379_100009813875 [0,2,0,0,0,0|2,0,0]=4 4822 B18R2.6551 NC(=O)C(F)Oc1c(ccc2c1nccc2)Cl 7a_100000700379_100009813875 [0,2,0,0,0,0|2,0,0]=4 4823 B18R2.6551 NC(=O)C(F)Sc1c(ccc2c1cccc2)Br 62a_100009813875_100010090040 [0,2,0,0,0,0|1,1,0]=4 4824 B18R2.6551 NC(=O)C(F)Sc1c(ccc2c1cccc2)Br 62a_100010090040_100009813875 [0,2,0,0,0,0|1,1,0]=4 4825 B18R2.6551 NC(=O)C(F)Sc1c(ccc2c1cccc2)N 62a_100000705303_100009813875 [0,2,0,0,0,0|1,1,0]=4 4826 B18R2.6551 NC(=O)C(F)Sc1c(ccc2c1cccc2)N 62a_100009813875_100000705303 [0,2,0,0,0,0|1,1,0]=4 4827 B18R2.6551 NC(=O)C(F)Sc1c(ccc2c1cccc2)O 62a_100009813875_100000183829 [0,2,0,0,0,0|1,1,0]=4 4828 B18R2.6551 Nc1ccc2ccccc2c1OC(F)C(=O)[O-] 34a_100000007060_100020610796 [0,2,0,0,0,0|0,0,1]=3 4829 B18R2.6551 Nc1ccc2ccccc2c1SC(F)C(=O)[O-] 62a_100000705303_100020610796 [0,2,0,0,0,0|0,1,1]=4 4830 B18R2.6551 Nc1ccc2ccccc2c1SC(F)C(=O)[O-] 62a_100020610796_100000705303 [0,2,0,0,0,0|0,1,1]=4 4831 B18R2.6551 O=C([O-])C(F)Nc1c(ccc2c1cccc2)Br 34a_100009817101_100020610796 [0,2,0,0,0,0|1,0,1]=4 4832 B18R2.6551 O=C([O-])C(F)Nc1c(ccc2c1cccc2)Cl 34a_200009860907_100020610796 [0,2,0,0,0,0|1,0,1]=4 4833 B18R2.6551 O=C([O-])C(F)Nc1c(ccc2c1cccc2)O 34a_100000007056_100020610796 [0,2,0,0,0,0|1,0,1]=4 4834 B18R2.6551 O=C([O-])C(F)Oc1c(ccc2c1cccc2)Br 34a_100009996032_100020610796 [0,2,0,0,0,0|0,0,1]=3 4835 B18R2.6551 O=C([O-])C(F)Oc1c(ccc2c1nccc2)Br 34a_100009816563_100020610796 [0,2,0,0,0,0|1,0,1]=4 4836 B18R2.6551 O=C([O-])C(F)Oc1c(ccc2c1nccc2)Cl 34a_100000700379_100020610796 [0,2,0,0,0,0|1,0,1]=4 4837 B18R2.6551 O=C([O-])C(F)Sc1c(ccc2c1cccc2)Br 62a_100010090040_100020610796 [0,2,0,0,0,0|0,1,1]=4 4838 B18R2.6551 O=C([O-])C(F)Sc1c(ccc2c1cccc2)Br 62a_100020610796_100010090040 [0,2,0,0,0,0|0,1,1]=4 4839 B18R2.6551 O=C([O-])C(F)Sc1c(ccc2c1cccc2)O 62a_100020610796_100000183829 [0,2,0,0,0,0|0,1,1]=4 4840 B18R2.6572 CC(C)(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000764493 [0,2,0,0,0,0|1,0,1]=4 4841 B18R2.6572 CC(C)(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000764493 [0,2,0,0,0,0|1,0,1]=4 4842 B18R2.6572 CC(C)(O)COc1c(ccc2c1cccc2)N 34a_100000007060_100000764493 [0,2,0,0,0,0|1,0,1]=4 4843 B18R2.6572 Cc1ccc2ccccc2c1OCC(C)(C)O 34a_100000039261_100000764493 [0,2,0,0,0,0|1,0,1]=4 4844 B18R2.6572 Cc1ccc2ccccc2c1OCC(C)(C)O 7a_100000039261_100000764493 [0,2,0,0,0,0|1,0,1]=4 4845 B18R2.6572 Cc1ccc2ccccc2c1OCS(=O)(=O)[O-] 34a_100000039261_100009817235 [0,2,0,0,0,0|1,0,1]=4 4846 B18R2.6572 Nc1ccc2ccccc2c1OCS(=O)(=O)[O-] 34a_100000007060_100009817235 [0,2,0,0,0,0|1,0,1]=4 4847 B18R2.6572 O=S(=O)([O-])COc1c(ccc2c1cccc2)Br 34a_100009996032_100009817235 [0,2,0,0,0,0|1,0,1]=4 4848 B18R2.101777 C=C(C#N)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000694840 [0,2,0,0,0,0|2,0,0]=4 4849 B18R2.101777 C=C(C#N)COc1c(ccc2c1cccc2)C 34a_100000039261_100000694840 [0,2,0,0,0,0|2,0,0]=4 4850 B18R2.101777 C=C(C#N)COc1c(ccc2c1cccc2)N 34a_100000007060_100000694840 [0,2,0,0,0,0|2,0,0]=4 4851 B18R2.101777 C=CC(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000730141 [0,2,0,0,0,0|1,0,1]=4 4852 B18R2.101777 C=CC(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000730141 [0,2,0,0,0,0|1,0,1]=4 4853 B18R2.101777 C=CC(O)COc1c(ccc2c1cccc2)C 34a_100000039261_100000730141 [0,2,0,0,0,0|1,0,1]=4 4854 B18R2.101777 C=CC(O)COc1c(ccc2c1cccc2)C 7a_100000039261_100000730141 [0,2,0,0,0,0|1,0,1]=4 4855 B18R2.101777 C=CC(O)COc1c(ccc2c1cccc2)N 34a_100000007060_100000730141 [0,2,0,0,0,0|1,0,1]=4 4856 B18R2.101777 CCC(=O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000747405 [0,2,0,0,0,0|1,0,0]=3 4857 B18R2.101777 CCC(=O)COc1c(ccc2c1cccc2)C 7a_100000039261_100000747405 [0,2,0,0,0,0|1,0,0]=3 4858 B18R2.101777 CCC(=O)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000747405 [0,2,0,0,0,0|2,0,0]=4 4859 B18R2.101777 CCC(=O)CSc1c(ccc2c1cccc2)Br 62a_100000747405_100010090040 [0,2,0,0,0,0|1,1,0]=4 4860 B18R2.101777 CCC(=O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000747405 [0,2,0,0,0,0|1,1,0]=4 4861 B18R2.101777 CCC(=O)CSc1c(ccc2c1cccc2)C 62a_100000747405_100000759710 [0,2,0,0,0,0|1,1,0]=4 4862 B18R2.101777 CCC(=O)CSc1c(ccc2c1cccc2)C 62a_100000759710_100000747405 [0,2,0,0,0,0|1,1,0]=4 4863 B18R2.101777 CCC(=O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000747405 [0,2,0,0,0,0|1,1,0]=4 4864 B18R2.101777 CCC(=O)CSc1c(ccc2c1cccc2)N 62a_100000747405_100000705303 [0,2,0,0,0,0|1,1,0]=4 4865 B18R2.101777 CCC(=O)CSc1c(ccc2c1cccc2)O 62a_100000747405_100000183829 [0,2,0,0,0,0|1,1,0]=4 4866 B18R2.101777 CCC(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100011218378 [0,2,0,0,0,0|1,0,1]=4 4867 B18R2.101777 CCC(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100011218378 [0,2,0,0,0,0|1,0,1]=4 4868 B18R2.101777 CCC(O)COc1c(ccc2c1cccc2)C 34a_100000039261_100011218378 [0,2,0,0,0,0|1,0,1]=4 4869 B18R2.101777 CCC(O)COc1c(ccc2c1cccc2)C 7a_100000039261_100011218378 [0,2,0,0,0,0|1,0,1]=4 4870 B18R2.101777 CCC(O)COc1c(ccc2c1cccc2)N 34a_100000007060_100011218378 [0,2,0,0,0,0|1,0,1]=4 4871 B18R2.101777 CNC(=O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000183359 [0,2,0,0,0,0|2,0,0]=4 4872 B18R2.101777 CNC(=O)CNc1c(ccc2c1cccc2)C 34a_100000688109_100000183359 [0,2,0,0,0,0|2,0,0]=4 4873 B18R2.101777 CNC(=O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000183359 [0,2,0,0,0,0|2,0,0]=4 4874 B18R2.101777 CNC(=O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000183359 [0,2,0,0,0,0|2,0,0]=4 4875 B18R2.101777 CNC(=O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000183359 [0,2,0,0,0,0|1,0,0]=3 4876 B18R2.101777 CNC(=O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000183359 [0,2,0,0,0,0|1,0,0]=3 4877 B18R2.101777 CNC(=O)COc1c(ccc2c1cccc2)C 34a_100000039261_100000183359 [0,2,0,0,0,0|1,0,0]=3 4878 B18R2.101777 CNC(=O)COc1c(ccc2c1cccc2)C 7a_100000039261_100000183359 [0,2,0,0,0,0|1,0,0]=3 4879 B18R2.101777 CNC(=O)COc1c(ccc2c1cccc2)N 34a_100000007060_100000183359 [0,2,0,0,0,0|1,0,0]=3 4880 B18R2.101777 CNC(=O)COc1c(ccc2c1nccc2)Br 34a_100009816563_100000183359 [0,2,0,0,0,0|2,0,0]=4 4881 B18R2.101777 CNC(=O)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100000183359 [0,2,0,0,0,0|2,0,0]=4 4882 B18R2.101777 CNC(=O)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000183359 [0,2,0,0,0,0|2,0,0]=4 4883 B18R2.101777 CNC(=O)CSc1c(ccc2c1cccc2)Br 62a_100000183359_100010090040 [0,2,0,0,0,0|1,1,0]=4 4884 B18R2.101777 CNC(=O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000183359 [0,2,0,0,0,0|1,1,0]=4 4885 B18R2.101777 CNC(=O)CSc1c(ccc2c1cccc2)C 62a_100000183359_100000759710 [0,2,0,0,0,0|1,1,0]=4 4886 B18R2.101777 CNC(=O)CSc1c(ccc2c1cccc2)C 62a_100000759710_100000183359 [0,2,0,0,0,0|1,1,0]=4 4887 B18R2.101777 CNC(=O)CSc1c(ccc2c1cccc2)N 62a_100000183359_100000705303 [0,2,0,0,0,0|1,1,0]=4 4888 B18R2.101777 CNC(=O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000183359 [0,2,0,0,0,0|1,1,0]=4 4889 B18R2.101777 CNC(=O)CSc1c(ccc2c1cccc2)O 62a_100000183359_100000183829 [0,2,0,0,0,0|1,1,0]=4 4890 B18R2.101777 COC(=O)CNc1c(ccc2c1cccc2)Br 34a_100009817101_100000747449 [0,2,0,0,0,0|1,0,0]=3 4891 B18R2.101777 COC(=O)CNc1c(ccc2c1cccc2)C 34a_100000688109_100000747449 [0,2,0,0,0,0|1,0,0]=3 4892 B18R2.101777 COC(=O)CNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000747449 [0,2,0,0,0,0|1,0,0]=3 4893 B18R2.101777 COC(=O)CNc1c(ccc2c1cccc2)O 34a_100000007056_100000747449 [0,2,0,0,0,0|1,0,0]=3 4894 B18R2.101777 COC(=O)CNc1c(ccc2c1cccn2)C 34a_100011933972_100000747449 [0,2,0,0,0,0|2,0,0]=4 4895 B18R2.101777 COC(=O)CNc1c(ccc2c1nccc2)C 34a_100000065890_100000747449 [0,2,0,0,0,0|2,0,0]=4 4896 B18R2.101777 COC(=O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000747449 [0,2,0,0,0,0|0,0,0]=2 4897 B18R2.101777 COC(=O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000747449 [0,2,0,0,0,0|0,0,0]=2 4898 B18R2.101777 COC(=O)COc1c(ccc2c1cccc2)C 34a_100000039261_100000747449 [0,2,0,0,0,0|0,0,0]=2 4899 B18R2.101777 COC(=O)COc1c(ccc2c1cccc2)C 7a_100000039261_100000747449 [0,2,0,0,0,0|0,0,0]=2 4900 B18R2.101777 COC(=O)COc1c(ccc2c1cccc2)N 34a_100000007060_100000747449 [0,2,0,0,0,0|0,0,0]=2 4901 B18R2.101777 COC(=O)COc1c(ccc2c1nccc2)Br 34a_100009816563_100000747449 [0,2,0,0,0,0|1,0,0]=3 4902 B18R2.101777 COC(=O)COc1c(ccc2c1nccc2)Cl 34a_100000700379_100000747449 [0,2,0,0,0,0|1,0,0]=3 4903 B18R2.101777 COC(=O)COc1c(ccc2c1nccc2)Cl 7a_100000700379_100000747449 [0,2,0,0,0,0|1,0,0]=3 4904 B18R2.101777 COC(=O)CSc1c(ccc2c1cccc2)Br 62a_100000747449_100010090040 [0,2,0,0,0,0|0,1,0]=3 4905 B18R2.101777 COC(=O)CSc1c(ccc2c1cccc2)Br 62a_100010090040_100000747449 [0,2,0,0,0,0|0,1,0]=3 4906 B18R2.101777 COC(=O)CSc1c(ccc2c1cccc2)C 62a_100000747449_100000759710 [0,2,0,0,0,0|0,1,0]=3 4907 B18R2.101777 COC(=O)CSc1c(ccc2c1cccc2)C 62a_100000759710_100000747449 [0,2,0,0,0,0|0,1,0]=3 4908 B18R2.101777 COC(=O)CSc1c(ccc2c1cccc2)N 62a_100000705303_100000747449 [0,2,0,0,0,0|0,1,0]=3 4909 B18R2.101777 COC(=O)CSc1c(ccc2c1cccc2)N 62a_100000747449_100000705303 [0,2,0,0,0,0|0,1,0]=3 4910 B18R2.101777 COC(=O)CSc1c(ccc2c1cccc2)O 62a_100000747449_100000183829 [0,2,0,0,0,0|0,1,0]=3 4911 B18R2.101777 COC(=O)CSc1c(ccc2c1cccn2)N 62a_100000747449_200009995563 [0,2,0,0,0,0|1,1,0]=4 4912 B18R2.101777 COC(=O)CSc1c(ccc2c1cccn2)N 62a_200009995563_100000747449 [0,2,0,0,0,0|1,1,0]=4 4913 B18R2.101777 COC(=O)CSc1c(ccc2c1ccnc2)C 62a_100000747449_100010204589 [0,2,0,0,0,0|1,1,0]=4 4914 B18R2.101777 COC(=O)CSc1c(ccc2c1ccnc2)C 62a_100010204589_100000747449 [0,2,0,0,0,0|1,1,0]=4 4915 B18R2.101777 COC(=O)CSc1c(ccc2c1ccnc2)F 62a_100000747449_100010272212 [0,2,0,0,0,0|1,1,0]=4 4916 B18R2.101777 COC(=O)CSc1c(ccc2c1ccnc2)F 62a_100010272212_100000747449 [0,2,0,0,0,0|1,1,0]=4 4917 B18R2.101777 COC(=O)CSc1c(ccc2c1ccnc2)N 62a_100000747449_100010245214 [0,2,0,0,0,0|1,1,0]=4 4918 B18R2.101777 COC(=O)CSc1c(ccc2c1ccnc2)N 62a_100010245214_100000747449 [0,2,0,0,0,0|1,1,0]=4 4919 B18R2.101777 COC(=O)CSc1c(ccc2c1cncc2)F 62a_100000747449_200015767032 [0,2,0,0,0,0|1,1,0]=4 4920 B18R2.101777 COC(=O)CSc1c(ccc2c1cncc2)F 62a_200015767032_100000747449 [0,2,0,0,0,0|1,1,0]=4 4921 B18R2.101777 COC(=O)CSc1c(ccc2c1cncc2)O 62a_100000747449_200010115057 [0,2,0,0,0,0|1,1,0]=4 4922 B18R2.101777 COC(=O)CSc1c(ccc2c1nccc2)O 62a_100000747449_100010173343 [0,2,0,0,0,0|1,1,0]=4 4923 B18R2.101777 COC(=O)CSc1c(cnc2c1cccc2)Br 62a_100000747449_200010179490 [0,2,0,0,0,0|1,1,0]=4 4924 B18R2.101777 COC(=O)CSc1c(cnc2c1cccc2)Br 62a_200010179490_100000747449 [0,2,0,0,0,0|1,1,0]=4 4925 B18R2.101777 COC(=O)CSc1c(cnc2c1cccc2)C 62a_100000747449_100000092342 [0,2,0,0,0,0|1,1,0]=4 4926 B18R2.101777 COC(=O)CSc1c(cnc2c1cccc2)N 62a_100000747449_100012243074 [0,2,0,0,0,0|1,1,0]=4 4927 B18R2.101777 COC(=O)CSc1c(cnc2c1cccc2)N 62a_100009995561_100000747449 [0,2,0,0,0,0|1,1,0]=4 4928 B18R2.101777 COC(=O)CSc1c(ncc2c1cccc2)N 62a_100000747449_100009994184 [0,2,0,0,0,0|1,1,0]=4 4929 B18R2.101777 COC(=O)CSc1c(ncc2c1cccc2)N 62a_100009994184_100000747449 [0,2,0,0,0,0|1,1,0]=4 4930 B18R2.101777 C[C@@H](CO)COc1c(ccc2c1cccc2)Br 34a_100009996032_100000059175 [0,2,0,0,0,0|1,0,1]=4 4931 B18R2.101777 C[C@@H](CO)COc1c(ccc2c1cccc2)Br 7a_100009996032_100000059175 [0,2,0,0,0,0|1,0,1]=4 4932 B18R2.101777 C[C@@H](CO)COc1c(ccc2c1cccc2)N 34a_100000007060_100000059175 [0,2,0,0,0,0|1,0,1]=4 4933 B18R2.101777 Cc1ccc2ccccc2c1OCC(O)CO 34a_100000039261_100011219619 [0,2,0,0,0,0|0,0,2]=4 4934 B18R2.101777 Cc1ccc2ccccc2c1OCC(O)CO 7a_100000039261_100011219619 [0,2,0,0,0,0|0,0,2]=4 4935 B18R2.101777 Cc1ccc2ccccc2c1OC[C@@H](C)CO 34a_100000039261_100000059175 [0,2,0,0,0,0|1,0,1]=4 4936 B18R2.101777 Cc1ccc2ccccc2c1OC[C@@H](C)CO 7a_100000039261_100000059175 [0,2,0,0,0,0|1,0,1]=4 4937 B18R2.101777 Cc1ccc2ccccc2c1OC[C@@H](O)CF 34a_100000039261_100015614560 [0,2,0,0,0,0|1,0,1]=4 4938 B18R2.101777 Cc1ccc2ccccc2c1OC[C@@H](O)CF 7a_100000039261_100015614560 [0,2,0,0,0,0|1,0,1]=4 4939 B18R2.101777 Cc1ccc2ccccc2c1OC[C@@H](O)CO 34a_100000039261_100009815848 [0,2,0,0,0,0|0,0,2]=4 4940 B18R2.101777 Cc1ccc2ccccc2c1OC[C@@H](O)CO 7a_100000039261_100009815848 [0,2,0,0,0,0|0,0,2]=4 4941 B18R2.101777 Nc1ccc2ccccc2c1OCC(O)CO 34a_100000007060_100011219619 [0,2,0,0,0,0|0,0,2]=4 4942 B18R2.101777 Nc1ccc2ccccc2c1OC[C@@H](O)CF 34a_100000007060_100015614560 [0,2,0,0,0,0|1,0,1]=4 4943 B18R2.101777 Nc1ccc2ccccc2c1OC[C@@H](O)CO 34a_100000007060_100009815848 [0,2,0,0,0,0|0,0,2]=4 4944 B18R2.101777 OCC(O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100011219619 [0,2,0,0,0,0|0,0,2]=4 4945 B18R2.101777 OCC(O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100011219619 [0,2,0,0,0,0|0,0,2]=4 4946 B18R2.101777 OC[C@H](O)COc1c(ccc2c1cccc2)Br 34a_100009996032_100009815848 [0,2,0,0,0,0|0,0,2]=4 4947 B18R2.101777 OC[C@H](O)COc1c(ccc2c1cccc2)Br 7a_100009996032_100009815848 [0,2,0,0,0,0|0,0,2]=4 4948 B18R2.101777 O[C@@H](CF)COc1c(ccc2c1cccc2)Br 34a_100009996032_100015614560 [0,2,0,0,0,0|1,0,1]=4 4949 B18R2.101777 O[C@@H](CF)COc1c(ccc2c1cccc2)Br 7a_100009996032_100015614560 [0,2,0,0,0,0|1,0,1]=4 4950 B18R2.488857 CC(=O)COc1c(cc(c2c1nccc2)Cl)I 1458a_100000261199_200000210301 [0,2,0,0,0,0|2,0,0]=4 4951 B18R2.488857 CC(O)COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_100011218427 [0,2,0,0,0,0|1,0,1]=4 4952 B18R2.488857 CC(O)COc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_100011218427 [0,2,0,0,0,0|1,0,1]=4 4953 B18R2.488857 C[C@@H](O)COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_100009817552 [0,2,0,0,0,0|1,0,1]=4 4954 B18R2.488857 C[C@@H](O)COc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_100009817552 [0,2,0,0,0,0|1,0,1]=4 4955 B18R2.488857 NC(=O)CNc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_100000187820 [0,2,0,0,0,0|2,0,0]=4 4956 B18R2.488857 NC(=O)CNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_100000187820 [0,2,0,0,0,0|2,0,0]=4 4957 B18R2.488857 NC(=O)COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_100000187820 [0,2,0,0,0,0|1,0,0]=3 4958 B18R2.488857 NC(=O)COc1c(cc(c2c1cccc2)Cl)Cl 7a_100000042667_100000187820 [0,2,0,0,0,0|1,0,0]=3 4959 B18R2.488857 NC(=O)COc1c(cc(c2c1nccc2)Br)Br 7a_100000211973_100000187820 [0,2,0,0,0,0|2,0,0]=4 4960 B18R2.488857 NC(=O)COc1c(cc(c2c1nccc2)Cl)Br 34a_100009813450_100000187820 [0,2,0,0,0,0|2,0,0]=4 4961 B18R2.488857 NC(=O)COc1c(cc(c2c1nccc2)Cl)Br 7a_100009813450_100000187820 [0,2,0,0,0,0|2,0,0]=4 4962 B18R2.488857 NC(=O)COc1c(cc(c2c1nccc2)Cl)Cl 34a_100000019840_100000187820 [0,2,0,0,0,0|2,0,0]=4 4963 B18R2.488857 NC(=O)COc1c(cc(c2c1nccc2)Cl)Cl 7a_100000019840_100000187820 [0,2,0,0,0,0|2,0,0]=4 4964 B18R2.488857 NC(=O)COc1c(cc(c2c1nccc2)Cl)I 7a_100000211503_100000187820 [0,2,0,0,0,0|2,0,0]=4 4965 B18R2.488857 NC(=O)COc1c(cc(c2c1nccc2)I)I 7a_100000188416_100000187820 [0,2,0,0,0,0|2,0,0]=4 4966 B18R2.488857 O=C([O-])CNc1c(cc(c2c1cccc2)Br)Br 34a_100012339475_100020667443 [0,2,0,0,0,0|1,0,1]=4 4967 B18R2.488857 O=C([O-])CNc1c(cc(c2c1cccc2)Cl)Cl 34a_100010097187_100020667443 [0,2,0,0,0,0|1,0,1]=4 4968 B18R2.488857 O=C([O-])COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_100020667443 [0,2,0,0,0,0|0,0,1]=3 4969 B18R2.488857 O=C([O-])COc1c(cc(c2c1nccc2)Cl)Br 34a_100009813450_100020667443 [0,2,0,0,0,0|1,0,1]=4 4970 B18R2.488857 O=C([O-])COc1c(cc(c2c1nccc2)Cl)Cl 34a_100000019840_100020667443 [0,2,0,0,0,0|1,0,1]=4 4971 B18R2.488857 O=[N+]([O-])COc1c(cc(c2c1cccc2)Cl)Cl 34a_100000042667_100000761209 [0,2,0,0,0,0|1,0,1]=4 4972 B18R2.488857 [13CH3]C(=O)COc1c(cc(c2c1nccc2)Cl)I 1458a_100000261199_200025704644 [0,2,0,0,0,0|2,0,0]=4 4973 B18R2.18288 C=C(C)COc1cccc2c1cc(cc2)OC 34a_100000040783_100000748629 [0,2,0,0,0,0|2,0,0]=4 4974 B18R2.18288 C=C(C)COc1cccc2c1cc(cc2)OC 7a_100000040783_100000748629 [0,2,0,0,0,0|2,0,0]=4 4975 B18R2.18288 C=C(F)COc1cccc2c1cc(cc2)OC 34a_100000040783_100009893438 [0,2,0,0,0,0|2,0,0]=4 4976 B18R2.18288 C=C(F)COc1cccc2c1cc(cc2)OC 7a_100000040783_100000042424 [0,2,0,0,0,0|2,0,0]=4 4977 B18R2.18288 COc1ccc2cccc(c2c1)NCC(=O)N 34a_100000087654_100000187820 [0,2,0,0,0,0|2,0,0]=4 4978 B18R2.18288 COc1ccc2cccc(c2c1)NCC(=O)[O-] 34a_100000087654_100020667443 [0,2,0,0,0,0|1,0,1]=4 4979 B18R2.18288 COc1ccc2cccc(c2c1)OCC(=O)N 34a_100000040783_100000187820 [0,2,0,0,0,0|1,0,0]=3 4980 B18R2.18288 COc1ccc2cccc(c2c1)OCC(=O)N 7a_100000040783_100000187820 [0,2,0,0,0,0|1,0,0]=3 4981 B18R2.18288 COc1ccc2cccc(c2c1)OCC(=O)[O-] 34a_100000040783_100020667443 [0,2,0,0,0,0|0,0,1]=3 4982 B18R2.18288 COc1ccc2cccc(c2c1)OCC(C)O 34a_100000040783_100011218427 [0,2,0,0,0,0|1,0,1]=4 4983 B18R2.18288 COc1ccc2cccc(c2c1)OCC(C)O 7a_100000040783_100011218427 [0,2,0,0,0,0|1,0,1]=4 4984 B18R2.18288 COc1ccc2cccc(c2c1)OC[C@@H](C)O 34a_100000040783_100009817552 [0,2,0,0,0,0|1,0,1]=4 4985 B18R2.18288 COc1ccc2cccc(c2c1)OC[C@@H](C)O 7a_100000040783_100009817552 [0,2,0,0,0,0|1,0,1]=4 4986 B18R2.18288 COc1ccc2cccc(c2c1)OC[N+](=O)[O-] 34a_100000040783_100000761209 [0,2,0,0,0,0|1,0,1]=4 4987 B18R2.18288 COc1ccc2cccc(c2c1)SCC(=O)N 62a_100000747473_100010178974 [0,2,0,0,0,0|1,1,0]=4 4988 B18R2.18288 COc1ccc2cccc(c2c1)SCC(=O)[O-] 62a_100020667443_100010178974 [0,2,0,0,0,0|0,1,1]=4 4989 B18R2.18288 COc1ccc2nccc(c2c1)OCC(=O)N 34a_100000005308_100000187820 [0,2,0,0,0,0|2,0,0]=4 4990 B18R2.18288 COc1ccc2nccc(c2c1)OCC(=O)[O-] 34a_100000005308_100020667443 [0,2,0,0,0,0|1,0,1]=4 4991 B18R2.18288 N#Cc1ccc2cccc(c2n1)OCC(=O)N 7a_100000036333_100000187820 [0,2,0,0,0,0|2,0,0]=4 4992 B18R2.31652 Cc1ccc2cccc(c2[n+]1[O-])OCC(=O)N 34a_100000065914_100000187820 [0,2,0,0,0,0|2,0,0]=4 4993 B18R2.31652 Cc1ccc2cccc(c2[n+]1[O-])OCC(=O)N 7a_100000065914_100000187820 [0,2,0,0,0,0|2,0,0]=4 4994 B18R2.31652 Cc1ccc2cccc(c2[n+]1[O-])OCC(=O)[O-] 34a_100000065914_100020667443 [0,2,0,0,0,0|1,0,1]=4 4995 B18R2.31658 NC(=O)CC(=O)c1cccc2c1cc(cc2)Br 1458a_100010238973_100000187820 [0,2,0,0,0,0|2,0,0]=4 4996 B18R2.31658 O=C([O-])CC(=O)c1cccc2c1cc(cc2)Br 1458a_100010238973_100020667443 [0,2,0,0,0,0|1,0,1]=4 4997 B18R2.31659 CC(=O)C(C)Oc1cccc2c1cc(cc2)Br 7a_100010089991_100000179758 [0,2,0,0,0,0|1,0,0]=3 4998 B18R2.31659 CC(=O)C(C)Oc1cccc2c1cc(cc2)C 7a_100000040781_100000179758 [0,2,0,0,0,0|1,0,0]=3 4999 B18R2.31659 CC(=O)C(C)Oc1cccc2c1cc(cc2)Cl 7a_100009840344_100000179758 [0,2,0,0,0,0|1,0,0]=3 5000 B18R2.31659 CC(=O)C(C)Oc1cccc2c1cc(cc2)F 7a_100009881884_100000179758 [0,2,0,0,0,0|1,0,0]=3 5001 B18R2.31659 CC(=O)C(C)Oc1cccc2c1cc(cc2)N 7a_100132313934_100000179758 [0,2,0,0,0,0|1,0,0]=3 5002 B18R2.31659 CC(=O)C(C)Oc1cccc2c1cc(cn2)Br 7a_200010153752_100000179758 [0,2,0,0,0,0|2,0,0]=4 5003 B18R2.31659 CC(=O)C(C)Oc1cccc2c1nc(cc2)Br 7a_100010153751_100000179758 [0,2,0,0,0,0|2,0,0]=4 5004 B18R2.31659 CC(=O)C(C)Oc1cccc2c1nc(cc2)C 7a_100000184714_100000179758 [0,2,0,0,0,0|2,0,0]=4 5005 B18R2.31659 CC(=O)C(C)Oc1cccc2c1nc(cc2)Cl 7a_100000013812_100000179758 [0,2,0,0,0,0|2,0,0]=4 5006 B18R2.31659 CC(=O)C(C)Oc1cccc2c1nc(cc2)N 7a_100000032106_100000179758 [0,2,0,0,0,0|2,0,0]=4 5007 B18R2.31659 CC(=O)C(C)Oc1cncc2c1cc(cc2)Br 7a_100010136424_100000179758 [0,2,0,0,0,0|2,0,0]=4 5008 B18R2.31659 CC(=O)C(C)Sc1cccc2c1cc(cc2)O 62a_100009814033_100010169565 [0,2,0,0,0,0|1,1,0]=4 5009 B18R2.31659 CC(Nc1cccc2c1cc(cc2)Br)C(=O)N 34a_100010090012_100000702099 [0,2,0,0,0,0|2,0,0]=4 5010 B18R2.31659 CC(Nc1cccc2c1cc(cc2)O)C(=O)N 34a_100000034012_100000702099 [0,2,0,0,0,0|2,0,0]=4 5011 B18R2.31659 CC(Oc1cccc2c1cc(cc2)Br)C(=O)N 34a_100010089991_100000702099 [0,2,0,0,0,0|1,0,0]=3 5012 B18R2.31659 CC(Oc1cccc2c1cc(cc2)Br)C(=O)N 7a_100010089991_100000702099 [0,2,0,0,0,0|1,0,0]=3 5013 B18R2.31659 CC(Oc1cccc2c1cc(cc2)Cl)C(=O)N 34a_100009840344_100000702099 [0,2,0,0,0,0|1,0,0]=3 5014 B18R2.31659 CC(Oc1cccc2c1cc(cc2)Cl)C(=O)N 7a_100009840344_100000702099 [0,2,0,0,0,0|1,0,0]=3 5015 B18R2.31659 CC(Oc1cccc2c1cc(cc2)F)C(=O)N 34a_100009881884_100000702099 [0,2,0,0,0,0|1,0,0]=3 5016 B18R2.31659 CC(Oc1cccc2c1cc(cc2)F)C(=O)N 7a_100009881884_100000702099 [0,2,0,0,0,0|1,0,0]=3 5017 B18R2.31659 CC(Oc1cccc2c1cc(cc2)N)C(=O)N 34a_100132313934_100000702099 [0,2,0,0,0,0|1,0,0]=3 5018 B18R2.31659 CC(Oc1cccc2c1cc(cc2)N)C(=O)N 7a_100132313934_100000702099 [0,2,0,0,0,0|1,0,0]=3 5019 B18R2.31659 CC(Oc1cccc2c1cc(cn2)Br)C(=O)N 34a_200010153752_100000702099 [0,2,0,0,0,0|2,0,0]=4 5020 B18R2.31659 CC(Oc1cccc2c1cc(cn2)Br)C(=O)N 7a_200010153752_100000702099 [0,2,0,0,0,0|2,0,0]=4 5021 B18R2.31659 CC(Oc1cccc2c1cc(cn2)N)C(=O)N 34a_100009853962_100000702099 [0,2,0,0,0,0|2,0,0]=4 5022 B18R2.31659 CC(Oc1cccc2c1nc(cc2)Br)C(=O)N 34a_100010153751_100000702099 [0,2,0,0,0,0|2,0,0]=4 5023 B18R2.31659 CC(Oc1cccc2c1nc(cc2)Br)C(=O)N 7a_100010153751_100000702099 [0,2,0,0,0,0|2,0,0]=4 5024 B18R2.31659 CC(Oc1cccc2c1nc(cc2)Cl)C(=O)N 34a_100000013812_100000702099 [0,2,0,0,0,0|2,0,0]=4 5025 B18R2.31659 CC(Oc1cccc2c1nc(cc2)Cl)C(=O)N 7a_100000013812_100000702099 [0,2,0,0,0,0|2,0,0]=4 5026 B18R2.31659 CC(Oc1cccc2c1nc(cc2)N)C(=O)N 34a_100000032106_100000702099 [0,2,0,0,0,0|2,0,0]=4 5027 B18R2.31659 CC(Oc1cccc2c1nc(cc2)N)C(=O)N 7a_100000032106_100000702099 [0,2,0,0,0,0|2,0,0]=4 5028 B18R2.31659 CC(Oc1ccnc2c1cc(cc2)F)C(=O)N 34a_100000004104_100000702099 [0,2,0,0,0,0|2,0,0]=4 5029 B18R2.31659 CC(Oc1cncc2c1cc(cc2)Br)C(=O)N 34a_100010136424_100000702099 [0,2,0,0,0,0|2,0,0]=4 5030 B18R2.31659 CC(Oc1cncc2c1cc(cc2)Br)C(=O)N 7a_100010136424_100000702099 [0,2,0,0,0,0|2,0,0]=4 5031 B18R2.31659 CC(Oc1nccc2c1cc(cc2)Br)C(=O)N 34a_100000010956_100000702099 [0,2,0,0,0,0|2,0,0]=4 5032 B18R2.31659 CC(Oc1nccc2c1cc(cc2)Cl)C(=O)N 34a_100000005406_100000702099 [0,2,0,0,0,0|2,0,0]=4 5033 B18R2.31659 CC(Sc1cccc2c1cc(cc2)O)C(=O)N 62a_100000702099_100010169565 [0,2,0,0,0,0|1,1,0]=4 5034 B18R2.31659 Cc1ccc2cccc(c2c1)OC(C)C(=O)N 34a_100000040781_100000702099 [0,2,0,0,0,0|1,0,0]=3 5035 B18R2.31659 Cc1ccc2cccc(c2c1)OC(C)C(=O)N 7a_100000040781_100000702099 [0,2,0,0,0,0|1,0,0]=3 5036 B18R2.31659 Cc1ccc2cccc(c2c1)OC(F)C(=O)N 34a_100000040781_100009813875 [0,2,0,0,0,0|1,0,0]=3 5037 B18R2.31659 Cc1ccc2cccc(c2c1)OC(F)C(=O)N 7a_100000040781_100009813875 [0,2,0,0,0,0|1,0,0]=3 5038 B18R2.31659 Cc1ccc2cccc(c2c1)OC(F)C(=O)[O-] 34a_100000040781_100020610796 [0,2,0,0,0,0|0,0,1]=3 5039 B18R2.31659 Cc1ccc2cccc(c2n1)OC(C)C(=O)N 34a_100000184714_100000702099 [0,2,0,0,0,0|2,0,0]=4 5040 B18R2.31659 Cc1ccc2cccc(c2n1)OC(C)C(=O)N 7a_100000184714_100000702099 [0,2,0,0,0,0|2,0,0]=4 5041 B18R2.31659 Cc1ccc2cccc(c2n1)OC(F)C(=O)N 34a_100000184714_100009813875 [0,2,0,0,0,0|2,0,0]=4 5042 B18R2.31659 Cc1ccc2cccc(c2n1)OC(F)C(=O)N 7a_100000184714_100009813875 [0,2,0,0,0,0|2,0,0]=4 5043 B18R2.31659 Cc1ccc2cccc(c2n1)OC(F)C(=O)[O-] 34a_100000184714_100020610796 [0,2,0,0,0,0|1,0,1]=4 5044 B18R2.31659 Cc1ccc2nccc(c2c1)OC(C)C(=O)N 34a_200011310529_100000702099 [0,2,0,0,0,0|2,0,0]=4 5045 B18R2.31659 Cc1ccc2nccc(c2c1)OC(F)C(=O)N 34a_200011310529_100009813875 [0,2,0,0,0,0|2,0,0]=4 5046 B18R2.31659 Cc1ccc2nccc(c2c1)OC(F)C(=O)[O-] 34a_200011310529_100020610796 [0,2,0,0,0,0|1,0,1]=4 5047 B18R2.31659 NC(=O)C(F)Nc1cccc2c1cc(cc2)Br 34a_100010090012_100009813875 [0,2,0,0,0,0|2,0,0]=4 5048 B18R2.31659 NC(=O)C(F)Nc1cccc2c1cc(cc2)O 34a_100000034012_100009813875 [0,2,0,0,0,0|2,0,0]=4 5049 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)Br 34a_100010089991_100009813875 [0,2,0,0,0,0|1,0,0]=3 5050 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)Br 7a_100010089991_100009813875 [0,2,0,0,0,0|1,0,0]=3 5051 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)Cl 34a_100009840344_100009813875 [0,2,0,0,0,0|1,0,0]=3 5052 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)Cl 7a_100009840344_100009813875 [0,2,0,0,0,0|1,0,0]=3 5053 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)F 34a_100009881884_100009813875 [0,2,0,0,0,0|1,0,0]=3 5054 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)F 7a_100009881884_100009813875 [0,2,0,0,0,0|1,0,0]=3 5055 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)N 34a_100132313934_100009813875 [0,2,0,0,0,0|1,0,0]=3 5056 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cc2)N 7a_100132313934_100009813875 [0,2,0,0,0,0|1,0,0]=3 5057 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cn2)Br 34a_200010153752_100009813875 [0,2,0,0,0,0|2,0,0]=4 5058 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cn2)Br 7a_200010153752_100009813875 [0,2,0,0,0,0|2,0,0]=4 5059 B18R2.31659 NC(=O)C(F)Oc1cccc2c1cc(cn2)N 34a_100009853962_100009813875 [0,2,0,0,0,0|2,0,0]=4 5060 B18R2.31659 NC(=O)C(F)Oc1cccc2c1nc(cc2)Br 34a_100010153751_100009813875 [0,2,0,0,0,0|2,0,0]=4 5061 B18R2.31659 NC(=O)C(F)Oc1cccc2c1nc(cc2)Br 7a_100010153751_100009813875 [0,2,0,0,0,0|2,0,0]=4 5062 B18R2.31659 NC(=O)C(F)Oc1cccc2c1nc(cc2)Cl 34a_100000013812_100009813875 [0,2,0,0,0,0|2,0,0]=4 5063 B18R2.31659 NC(=O)C(F)Oc1cccc2c1nc(cc2)Cl 7a_100000013812_100009813875 [0,2,0,0,0,0|2,0,0]=4 5064 B18R2.31659 NC(=O)C(F)Oc1cccc2c1nc(cc2)N 34a_100000032106_100009813875 [0,2,0,0,0,0|2,0,0]=4 5065 B18R2.31659 NC(=O)C(F)Oc1cccc2c1nc(cc2)N 7a_100000032106_100009813875 [0,2,0,0,0,0|2,0,0]=4 5066 B18R2.31659 NC(=O)C(F)Oc1ccnc2c1cc(cc2)F 34a_100000004104_100009813875 [0,2,0,0,0,0|2,0,0]=4 5067 B18R2.31659 NC(=O)C(F)Oc1cncc2c1cc(cc2)Br 34a_100010136424_100009813875 [0,2,0,0,0,0|2,0,0]=4 5068 B18R2.31659 NC(=O)C(F)Oc1cncc2c1cc(cc2)Br 7a_100010136424_100009813875 [0,2,0,0,0,0|2,0,0]=4 5069 B18R2.31659 NC(=O)C(F)Oc1nccc2c1cc(cc2)Br 34a_100000010956_100009813875 [0,2,0,0,0,0|2,0,0]=4 5070 B18R2.31659 NC(=O)C(F)Oc1nccc2c1cc(cc2)Cl 34a_100000005406_100009813875 [0,2,0,0,0,0|2,0,0]=4 5071 B18R2.31659 NC(=O)C(F)Sc1cccc2c1cc(cc2)O 62a_100009813875_100010169565 [0,2,0,0,0,0|1,1,0]=4 5072 B18R2.31659 Nc1ccc2cccc(c2c1)OC(F)C(=O)[O-] 34a_100132313934_100020610796 [0,2,0,0,0,0|0,0,1]=3 5073 B18R2.31659 Nc1ccc2cccc(c2n1)OC(F)C(=O)[O-] 34a_100000032106_100020610796 [0,2,0,0,0,0|1,0,1]=4 5074 B18R2.31659 Nc1cnc2cccc(c2c1)OC(F)C(=O)[O-] 34a_100009853962_100020610796 [0,2,0,0,0,0|1,0,1]=4 5075 B18R2.31659 O=C([O-])C(F)Nc1cccc2c1cc(cc2)Br 34a_100010090012_100020610796 [0,2,0,0,0,0|1,0,1]=4 5076 B18R2.31659 O=C([O-])C(F)Nc1cccc2c1cc(cc2)O 34a_100000034012_100020610796 [0,2,0,0,0,0|1,0,1]=4 5077 B18R2.31659 O=C([O-])C(F)Oc1cccc2c1cc(cc2)Br 34a_100010089991_100020610796 [0,2,0,0,0,0|0,0,1]=3 5078 B18R2.31659 O=C([O-])C(F)Oc1cccc2c1cc(cc2)Cl 34a_100009840344_100020610796 [0,2,0,0,0,0|0,0,1]=3 5079 B18R2.31659 O=C([O-])C(F)Oc1cccc2c1cc(cc2)F 34a_100009881884_100020610796 [0,2,0,0,0,0|0,0,1]=3 5080 B18R2.31659 O=C([O-])C(F)Oc1cccc2c1cc(cn2)Br 34a_200010153752_100020610796 [0,2,0,0,0,0|1,0,1]=4 5081 B18R2.31659 O=C([O-])C(F)Oc1cccc2c1nc(cc2)Br 34a_100010153751_100020610796 [0,2,0,0,0,0|1,0,1]=4 5082 B18R2.31659 O=C([O-])C(F)Oc1cccc2c1nc(cc2)Cl 34a_100000013812_100020610796 [0,2,0,0,0,0|1,0,1]=4 5083 B18R2.31659 O=C([O-])C(F)Oc1ccnc2c1cc(cc2)F 34a_100000004104_100020610796 [0,2,0,0,0,0|1,0,1]=4 5084 B18R2.31659 O=C([O-])C(F)Oc1cncc2c1cc(cc2)Br 34a_100010136424_100020610796 [0,2,0,0,0,0|1,0,1]=4 5085 B18R2.31659 O=C([O-])C(F)Oc1nccc2c1cc(cc2)Br 34a_100000010956_100020610796 [0,2,0,0,0,0|1,0,1]=4 5086 B18R2.31659 O=C([O-])C(F)Oc1nccc2c1cc(cc2)Cl 34a_100000005406_100020610796 [0,2,0,0,0,0|1,0,1]=4 5087 B18R2.31659 O=C([O-])C(F)Sc1cccc2c1cc(cc2)O 62a_100020610796_100010169565 [0,2,0,0,0,0|0,1,1]=4 5088 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000764493 [0,2,0,0,0,0|1,0,1]=4 5089 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000764493 [0,2,0,0,0,0|1,0,1]=4 5090 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000764493 [0,2,0,0,0,0|1,0,1]=4 5091 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000764493 [0,2,0,0,0,0|1,0,1]=4 5092 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)F 34a_100009881884_100000764493 [0,2,0,0,0,0|1,0,1]=4 5093 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)F 7a_100009881884_100000764493 [0,2,0,0,0,0|1,0,1]=4 5094 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)N 34a_100132313934_100000764493 [0,2,0,0,0,0|1,0,1]=4 5095 B18R2.276396 CC(C)(O)COc1cccc2c1cc(cc2)N 7a_100132313934_100000764493 [0,2,0,0,0,0|1,0,1]=4 5096 B18R2.276396 Cc1ccc2cccc(c2c1)OCC(C)(C)O 34a_100000040781_100000764493 [0,2,0,0,0,0|1,0,1]=4 5097 B18R2.276396 Cc1ccc2cccc(c2c1)OCC(C)(C)O 7a_100000040781_100000764493 [0,2,0,0,0,0|1,0,1]=4 5098 B18R2.276396 Cc1ccc2cccc(c2c1)OCS(=O)(=O)[O-] 34a_100000040781_100009817235 [0,2,0,0,0,0|1,0,1]=4 5099 B18R2.276396 Nc1ccc2cccc(c2c1)OCS(=O)(=O)[O-] 34a_100132313934_100009817235 [0,2,0,0,0,0|1,0,1]=4 5100 B18R2.276396 O=S(=O)([O-])COc1cccc2c1cc(cc2)Br 34a_100010089991_100009817235 [0,2,0,0,0,0|1,0,1]=4 5101 B18R2.276396 O=S(=O)([O-])COc1cccc2c1cc(cc2)Cl 34a_100009840344_100009817235 [0,2,0,0,0,0|1,0,1]=4 5102 B18R2.276396 O=S(=O)([O-])COc1cccc2c1cc(cc2)F 34a_100009881884_100009817235 [0,2,0,0,0,0|1,0,1]=4 5103 B18R2.509817 Cc1ccc(c2c1ccc(=O)o2)OCC(=O)N 34a_100010660925_100000187820 [0,2,0,0,0,0|2,0,0]=4 5104 B18R2.509817 Cc1ccc(c2c1ccc(=O)o2)OCC(=O)N 7a_100010660925_100000187820 [0,2,0,0,0,0|2,0,0]=4 5105 B18R2.509817 Cc1ccc(c2c1ccc(=O)o2)OCC(=O)[O-] 34a_100010660925_100020667443 [0,2,0,0,0,0|1,0,1]=4 5106 B18R2.529675 Cc1cc(c2cccc(c2n1)OCC(=O)N)C 34a_100000719286_100000187820 [0,2,0,0,0,0|2,0,0]=4 5107 B18R2.529675 Cc1cc(c2cccc(c2n1)OCC(=O)N)C 7a_100000719286_100000187820 [0,2,0,0,0,0|2,0,0]=4 5108 B18R2.529675 Cc1cc(c2cccc(c2n1)OCC(=O)[O-])C 34a_100000719286_100020667443 [0,2,0,0,0,0|1,0,1]=4 5109 B18R2.529675 NC(=O)COc1ccnc2c1cc(cc2F)F 34a_100000704102_100000187820 [0,2,0,0,0,0|2,0,0]=4 5110 B18R2.529675 NC(=O)COc1ccnc2c1cc(cc2F)F 7a_100000704102_100000187820 [0,2,0,0,0,0|2,0,0]=4 5111 B18R2.529675 O=C([O-])COc1ccnc2c1cc(cc2F)F 34a_100000704102_100020667443 [0,2,0,0,0,0|1,0,1]=4 5112 B18R2.696959 C=C(C#N)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000694840 [0,2,0,0,0,0|2,0,0]=4 5113 B18R2.696959 C=C(C#N)COc1cccc2c1cc(cc2)C 34a_100000040781_100000694840 [0,2,0,0,0,0|2,0,0]=4 5114 B18R2.696959 C=C(C#N)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000694840 [0,2,0,0,0,0|2,0,0]=4 5115 B18R2.696959 C=C(C#N)COc1cccc2c1cc(cc2)F 34a_100009881884_100000694840 [0,2,0,0,0,0|2,0,0]=4 5116 B18R2.696959 C=C(C#N)COc1cccc2c1cc(cc2)N 34a_100132313934_100000694840 [0,2,0,0,0,0|2,0,0]=4 5117 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000730141 [0,2,0,0,0,0|1,0,1]=4 5118 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000730141 [0,2,0,0,0,0|1,0,1]=4 5119 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)C 34a_100000040781_100000730141 [0,2,0,0,0,0|1,0,1]=4 5120 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)C 7a_100000040781_100000730141 [0,2,0,0,0,0|1,0,1]=4 5121 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000730141 [0,2,0,0,0,0|1,0,1]=4 5122 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000730141 [0,2,0,0,0,0|1,0,1]=4 5123 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)F 34a_100009881884_100000730141 [0,2,0,0,0,0|1,0,1]=4 5124 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)F 7a_100009881884_100000730141 [0,2,0,0,0,0|1,0,1]=4 5125 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)N 34a_100132313934_100000730141 [0,2,0,0,0,0|1,0,1]=4 5126 B18R2.696959 C=CC(O)COc1cccc2c1cc(cc2)N 7a_100132313934_100000730141 [0,2,0,0,0,0|1,0,1]=4 5127 B18R2.696959 CCC(=O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000747405 [0,2,0,0,0,0|1,0,0]=3 5128 B18R2.696959 CCC(=O)COc1cccc2c1cc(cc2)C 7a_100000040781_100000747405 [0,2,0,0,0,0|1,0,0]=3 5129 B18R2.696959 CCC(=O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000747405 [0,2,0,0,0,0|1,0,0]=3 5130 B18R2.696959 CCC(=O)COc1cccc2c1cc(cc2)F 7a_100009881884_100000747405 [0,2,0,0,0,0|1,0,0]=3 5131 B18R2.696959 CCC(=O)COc1cccc2c1cc(cc2)N 7a_100132313934_100000747405 [0,2,0,0,0,0|1,0,0]=3 5132 B18R2.696959 CCC(=O)COc1cccc2c1cc(cn2)Br 7a_200010153752_100000747405 [0,2,0,0,0,0|2,0,0]=4 5133 B18R2.696959 CCC(=O)COc1cccc2c1nc(cc2)Br 7a_100010153751_100000747405 [0,2,0,0,0,0|2,0,0]=4 5134 B18R2.696959 CCC(=O)COc1cccc2c1nc(cc2)C 7a_100000184714_100000747405 [0,2,0,0,0,0|2,0,0]=4 5135 B18R2.696959 CCC(=O)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100000747405 [0,2,0,0,0,0|2,0,0]=4 5136 B18R2.696959 CCC(=O)COc1cccc2c1nc(cc2)N 7a_100000032106_100000747405 [0,2,0,0,0,0|2,0,0]=4 5137 B18R2.696959 CCC(=O)COc1cncc2c1cc(cc2)Br 7a_100010136424_100000747405 [0,2,0,0,0,0|2,0,0]=4 5138 B18R2.696959 CCC(=O)CSc1cccc2c1cc(cc2)O 62a_100000747405_100010169565 [0,2,0,0,0,0|1,1,0]=4 5139 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100011218378 [0,2,0,0,0,0|1,0,1]=4 5140 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100011218378 [0,2,0,0,0,0|1,0,1]=4 5141 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)C 34a_100000040781_100011218378 [0,2,0,0,0,0|1,0,1]=4 5142 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)C 7a_100000040781_100011218378 [0,2,0,0,0,0|1,0,1]=4 5143 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100011218378 [0,2,0,0,0,0|1,0,1]=4 5144 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100011218378 [0,2,0,0,0,0|1,0,1]=4 5145 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)F 34a_100009881884_100011218378 [0,2,0,0,0,0|1,0,1]=4 5146 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)F 7a_100009881884_100011218378 [0,2,0,0,0,0|1,0,1]=4 5147 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)N 34a_100132313934_100011218378 [0,2,0,0,0,0|1,0,1]=4 5148 B18R2.696959 CCC(O)COc1cccc2c1cc(cc2)N 7a_100132313934_100011218378 [0,2,0,0,0,0|1,0,1]=4 5149 B18R2.696959 CNC(=O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000183359 [0,2,0,0,0,0|2,0,0]=4 5150 B18R2.696959 CNC(=O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100000183359 [0,2,0,0,0,0|2,0,0]=4 5151 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000183359 [0,2,0,0,0,0|1,0,0]=3 5152 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000183359 [0,2,0,0,0,0|1,0,0]=3 5153 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)C 34a_100000040781_100000183359 [0,2,0,0,0,0|1,0,0]=3 5154 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)C 7a_100000040781_100000183359 [0,2,0,0,0,0|1,0,0]=3 5155 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000183359 [0,2,0,0,0,0|1,0,0]=3 5156 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000183359 [0,2,0,0,0,0|1,0,0]=3 5157 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)F 34a_100009881884_100000183359 [0,2,0,0,0,0|1,0,0]=3 5158 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)F 7a_100009881884_100000183359 [0,2,0,0,0,0|1,0,0]=3 5159 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)N 34a_100132313934_100000183359 [0,2,0,0,0,0|1,0,0]=3 5160 B18R2.696959 CNC(=O)COc1cccc2c1cc(cc2)N 7a_100132313934_100000183359 [0,2,0,0,0,0|1,0,0]=3 5161 B18R2.696959 CNC(=O)COc1cccc2c1cc(cn2)Br 34a_200010153752_100000183359 [0,2,0,0,0,0|2,0,0]=4 5162 B18R2.696959 CNC(=O)COc1cccc2c1cc(cn2)Br 7a_200010153752_100000183359 [0,2,0,0,0,0|2,0,0]=4 5163 B18R2.696959 CNC(=O)COc1cccc2c1cc(cn2)N 34a_100009853962_100000183359 [0,2,0,0,0,0|2,0,0]=4 5164 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)Br 34a_100010153751_100000183359 [0,2,0,0,0,0|2,0,0]=4 5165 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)Br 7a_100010153751_100000183359 [0,2,0,0,0,0|2,0,0]=4 5166 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)C 34a_100000184714_100000183359 [0,2,0,0,0,0|2,0,0]=4 5167 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)C 7a_100000184714_100000183359 [0,2,0,0,0,0|2,0,0]=4 5168 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100000183359 [0,2,0,0,0,0|2,0,0]=4 5169 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100000183359 [0,2,0,0,0,0|2,0,0]=4 5170 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)N 34a_100000032106_100000183359 [0,2,0,0,0,0|2,0,0]=4 5171 B18R2.696959 CNC(=O)COc1cccc2c1nc(cc2)N 7a_100000032106_100000183359 [0,2,0,0,0,0|2,0,0]=4 5172 B18R2.696959 CNC(=O)COc1ccnc2c1cc(cc2)C 34a_200011310529_100000183359 [0,2,0,0,0,0|2,0,0]=4 5173 B18R2.696959 CNC(=O)COc1ccnc2c1cc(cc2)F 34a_100000004104_100000183359 [0,2,0,0,0,0|2,0,0]=4 5174 B18R2.696959 CNC(=O)COc1cncc2c1cc(cc2)Br 34a_100010136424_100000183359 [0,2,0,0,0,0|2,0,0]=4 5175 B18R2.696959 CNC(=O)COc1cncc2c1cc(cc2)Br 7a_100010136424_100000183359 [0,2,0,0,0,0|2,0,0]=4 5176 B18R2.696959 CNC(=O)COc1nccc2c1cc(cc2)Br 34a_100000010956_100000183359 [0,2,0,0,0,0|2,0,0]=4 5177 B18R2.696959 CNC(=O)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100000183359 [0,2,0,0,0,0|2,0,0]=4 5178 B18R2.696959 CNC(=O)CSc1cccc2c1cc(cc2)O 62a_100000183359_100010169565 [0,2,0,0,0,0|1,1,0]=4 5179 B18R2.696959 COC(=O)CNc1cccc2c1cc(cc2)Br 34a_100010090012_100000747449 [0,2,0,0,0,0|1,0,0]=3 5180 B18R2.696959 COC(=O)CNc1cccc2c1cc(cc2)O 34a_100000034012_100000747449 [0,2,0,0,0,0|1,0,0]=3 5181 B18R2.696959 COC(=O)CNc1cccc2c1cc(cn2)Br 34a_100010264086_100000747449 [0,2,0,0,0,0|2,0,0]=4 5182 B18R2.696959 COC(=O)CNc1cccc2c1nc(cc2)C 34a_100000019871_100000747449 [0,2,0,0,0,0|2,0,0]=4 5183 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000747449 [0,2,0,0,0,0|0,0,0]=2 5184 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000747449 [0,2,0,0,0,0|0,0,0]=2 5185 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)C 34a_100000040781_100000747449 [0,2,0,0,0,0|0,0,0]=2 5186 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)C 7a_100000040781_100000747449 [0,2,0,0,0,0|0,0,0]=2 5187 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000747449 [0,2,0,0,0,0|0,0,0]=2 5188 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000747449 [0,2,0,0,0,0|0,0,0]=2 5189 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)F 34a_100009881884_100000747449 [0,2,0,0,0,0|0,0,0]=2 5190 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)F 7a_100009881884_100000747449 [0,2,0,0,0,0|0,0,0]=2 5191 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)N 34a_100132313934_100000747449 [0,2,0,0,0,0|0,0,0]=2 5192 B18R2.696959 COC(=O)COc1cccc2c1cc(cc2)N 7a_100132313934_100000747449 [0,2,0,0,0,0|0,0,0]=2 5193 B18R2.696959 COC(=O)COc1cccc2c1cc(cn2)Br 34a_200010153752_100000747449 [0,2,0,0,0,0|1,0,0]=3 5194 B18R2.696959 COC(=O)COc1cccc2c1cc(cn2)Br 7a_200010153752_100000747449 [0,2,0,0,0,0|1,0,0]=3 5195 B18R2.696959 COC(=O)COc1cccc2c1cc(cn2)N 34a_100009853962_100000747449 [0,2,0,0,0,0|1,0,0]=3 5196 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)Br 34a_100010153751_100000747449 [0,2,0,0,0,0|1,0,0]=3 5197 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)Br 7a_100010153751_100000747449 [0,2,0,0,0,0|1,0,0]=3 5198 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)C 34a_100000184714_100000747449 [0,2,0,0,0,0|1,0,0]=3 5199 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)C 7a_100000184714_100000747449 [0,2,0,0,0,0|1,0,0]=3 5200 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)Cl 34a_100000013812_100000747449 [0,2,0,0,0,0|1,0,0]=3 5201 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)Cl 7a_100000013812_100000747449 [0,2,0,0,0,0|1,0,0]=3 5202 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)N 34a_100000032106_100000747449 [0,2,0,0,0,0|1,0,0]=3 5203 B18R2.696959 COC(=O)COc1cccc2c1nc(cc2)N 7a_100000032106_100000747449 [0,2,0,0,0,0|1,0,0]=3 5204 B18R2.696959 COC(=O)COc1cccc2c1nc(nc2)Cl 34a_100010674811_100000747449 [0,2,0,0,0,0|2,0,0]=4 5205 B18R2.696959 COC(=O)COc1cccc2c1nc(nc2)Cl 7a_100010674811_100000747449 [0,2,0,0,0,0|2,0,0]=4 5206 B18R2.696959 COC(=O)COc1ccnc2c1cc(cc2)C 34a_200011310529_100000747449 [0,2,0,0,0,0|1,0,0]=3 5207 B18R2.696959 COC(=O)COc1ccnc2c1cc(cc2)F 34a_100000004104_100000747449 [0,2,0,0,0,0|1,0,0]=3 5208 B18R2.696959 COC(=O)COc1cncc2c1cc(cc2)Br 34a_100010136424_100000747449 [0,2,0,0,0,0|1,0,0]=3 5209 B18R2.696959 COC(=O)COc1cncc2c1cc(cc2)Br 7a_100010136424_100000747449 [0,2,0,0,0,0|1,0,0]=3 5210 B18R2.696959 COC(=O)COc1nccc2c1cc(cc2)Br 34a_100000010956_100000747449 [0,2,0,0,0,0|1,0,0]=3 5211 B18R2.696959 COC(=O)COc1nccc2c1cc(cc2)Cl 34a_100000005406_100000747449 [0,2,0,0,0,0|1,0,0]=3 5212 B18R2.696959 COC(=O)CSc1cccc2c1[nH]c(=O)cc2 62a_100000747449_100000688906 [0,2,0,0,0,0|1,1,0]=4 5213 B18R2.696959 COC(=O)CSc1cccc2c1cc(cc2)O 62a_100000747449_100010169565 [0,2,0,0,0,0|0,1,0]=3 5214 B18R2.696959 COC(=O)CSc1cccc2c1nc(cc2)C 62a_100000747449_100011934484 [0,2,0,0,0,0|1,1,0]=4 5215 B18R2.696959 COC(=O)CSc1cccc2c1nc(cc2)Cl 62a_100000747449_100012034269 [0,2,0,0,0,0|1,1,0]=4 5216 B18R2.696959 COC(=O)CSc1cccc2c1nc(cc2)N 62a_100000687151_100000747449 [0,2,0,0,0,0|1,1,0]=4 5217 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)Br 62a_100000747449_100010189052 [0,2,0,0,0,0|1,1,0]=4 5218 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)Br 62a_100010189052_100000747449 [0,2,0,0,0,0|1,1,0]=4 5219 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)C 62a_100000747449_100000751279 [0,2,0,0,0,0|1,1,0]=4 5220 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)F 62a_100000747449_100011217270 [0,2,0,0,0,0|1,1,0]=4 5221 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)F 62a_100011217270_100000747449 [0,2,0,0,0,0|1,1,0]=4 5222 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)N 62a_100000747449_100009879071 [0,2,0,0,0,0|1,1,0]=4 5223 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)N 62a_100010074812_100000747449 [0,2,0,0,0,0|1,1,0]=4 5224 B18R2.696959 COC(=O)CSc1ccnc2c1cc(cc2)O 62a_100000747449_100000075933 [0,2,0,0,0,0|1,1,0]=4 5225 B18R2.696959 COC(=O)CSc1cncc2c1cc(cc2)C 62a_100000747449_100009817139 [0,2,0,0,0,0|1,1,0]=4 5226 B18R2.696959 COC(=O)CSc1nccc2c1cc(cc2)F 62a_100000747449_100010202866 [0,2,0,0,0,0|1,1,0]=4 5227 B18R2.696959 COC(=O)CSc1nccc2c1cc(cc2)F 62a_100010202866_100000747449 [0,2,0,0,0,0|1,1,0]=4 5228 B18R2.696959 COC(=O)CSc1nccc2c1cc(cc2)O 62a_100000747449_200009844553 [0,2,0,0,0,0|1,1,0]=4 5229 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)Br 34a_100010089991_100000059175 [0,2,0,0,0,0|1,0,1]=4 5230 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)Br 7a_100010089991_100000059175 [0,2,0,0,0,0|1,0,1]=4 5231 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100000059175 [0,2,0,0,0,0|1,0,1]=4 5232 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100000059175 [0,2,0,0,0,0|1,0,1]=4 5233 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)F 34a_100009881884_100000059175 [0,2,0,0,0,0|1,0,1]=4 5234 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)F 7a_100009881884_100000059175 [0,2,0,0,0,0|1,0,1]=4 5235 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)N 34a_100132313934_100000059175 [0,2,0,0,0,0|1,0,1]=4 5236 B18R2.696959 C[C@@H](CO)COc1cccc2c1cc(cc2)N 7a_100132313934_100000059175 [0,2,0,0,0,0|1,0,1]=4 5237 B18R2.696959 Cc1ccc2cccc(c2c1)OCC(O)CO 34a_100000040781_100011219619 [0,2,0,0,0,0|0,0,2]=4 5238 B18R2.696959 Cc1ccc2cccc(c2c1)OCC(O)CO 7a_100000040781_100011219619 [0,2,0,0,0,0|0,0,2]=4 5239 B18R2.696959 Cc1ccc2cccc(c2c1)OC[C@@H](C)CO 34a_100000040781_100000059175 [0,2,0,0,0,0|1,0,1]=4 5240 B18R2.696959 Cc1ccc2cccc(c2c1)OC[C@@H](C)CO 7a_100000040781_100000059175 [0,2,0,0,0,0|1,0,1]=4 5241 B18R2.696959 Cc1ccc2cccc(c2c1)OC[C@@H](O)CF 34a_100000040781_100015614560 [0,2,0,0,0,0|1,0,1]=4 5242 B18R2.696959 Cc1ccc2cccc(c2c1)OC[C@@H](O)CF 7a_100000040781_100015614560 [0,2,0,0,0,0|1,0,1]=4 5243 B18R2.696959 Cc1ccc2cccc(c2c1)OC[C@@H](O)CO 34a_100000040781_100009815848 [0,2,0,0,0,0|0,0,2]=4 5244 B18R2.696959 Cc1ccc2cccc(c2c1)OC[C@@H](O)CO 7a_100000040781_100009815848 [0,2,0,0,0,0|0,0,2]=4 5245 B18R2.696959 Nc1ccc2cccc(c2c1)OCC(O)CO 34a_100132313934_100011219619 [0,2,0,0,0,0|0,0,2]=4 5246 B18R2.696959 Nc1ccc2cccc(c2c1)OCC(O)CO 7a_100132313934_100011219619 [0,2,0,0,0,0|0,0,2]=4 5247 B18R2.696959 Nc1ccc2cccc(c2c1)OC[C@@H](O)CF 34a_100132313934_100015614560 [0,2,0,0,0,0|1,0,1]=4 5248 B18R2.696959 Nc1ccc2cccc(c2c1)OC[C@@H](O)CF 7a_100132313934_100015614560 [0,2,0,0,0,0|1,0,1]=4 5249 B18R2.696959 Nc1ccc2cccc(c2c1)OC[C@@H](O)CO 34a_100132313934_100009815848 [0,2,0,0,0,0|0,0,2]=4 5250 B18R2.696959 Nc1ccc2cccc(c2c1)OC[C@@H](O)CO 7a_100132313934_100009815848 [0,2,0,0,0,0|0,0,2]=4 5251 B18R2.696959 OCC(O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100011219619 [0,2,0,0,0,0|0,0,2]=4 5252 B18R2.696959 OCC(O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100011219619 [0,2,0,0,0,0|0,0,2]=4 5253 B18R2.696959 OCC(O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100011219619 [0,2,0,0,0,0|0,0,2]=4 5254 B18R2.696959 OCC(O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100011219619 [0,2,0,0,0,0|0,0,2]=4 5255 B18R2.696959 OCC(O)COc1cccc2c1cc(cc2)F 34a_100009881884_100011219619 [0,2,0,0,0,0|0,0,2]=4 5256 B18R2.696959 OCC(O)COc1cccc2c1cc(cc2)F 7a_100009881884_100011219619 [0,2,0,0,0,0|0,0,2]=4 5257 B18R2.696959 OC[C@H](O)COc1cccc2c1cc(cc2)Br 34a_100010089991_100009815848 [0,2,0,0,0,0|0,0,2]=4 5258 B18R2.696959 OC[C@H](O)COc1cccc2c1cc(cc2)Br 7a_100010089991_100009815848 [0,2,0,0,0,0|0,0,2]=4 5259 B18R2.696959 OC[C@H](O)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100009815848 [0,2,0,0,0,0|0,0,2]=4 5260 B18R2.696959 OC[C@H](O)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100009815848 [0,2,0,0,0,0|0,0,2]=4 5261 B18R2.696959 OC[C@H](O)COc1cccc2c1cc(cc2)F 34a_100009881884_100009815848 [0,2,0,0,0,0|0,0,2]=4 5262 B18R2.696959 OC[C@H](O)COc1cccc2c1cc(cc2)F 7a_100009881884_100009815848 [0,2,0,0,0,0|0,0,2]=4 5263 B18R2.696959 O[C@@H](CF)COc1cccc2c1cc(cc2)Br 34a_100010089991_100015614560 [0,2,0,0,0,0|1,0,1]=4 5264 B18R2.696959 O[C@@H](CF)COc1cccc2c1cc(cc2)Br 7a_100010089991_100015614560 [0,2,0,0,0,0|1,0,1]=4 5265 B18R2.696959 O[C@@H](CF)COc1cccc2c1cc(cc2)Cl 34a_100009840344_100015614560 [0,2,0,0,0,0|1,0,1]=4 5266 B18R2.696959 O[C@@H](CF)COc1cccc2c1cc(cc2)Cl 7a_100009840344_100015614560 [0,2,0,0,0,0|1,0,1]=4 5267 B18R2.696959 O[C@@H](CF)COc1cccc2c1cc(cc2)F 34a_100009881884_100015614560 [0,2,0,0,0,0|1,0,1]=4 5268 B18R2.696959 O[C@@H](CF)COc1cccc2c1cc(cc2)F 7a_100009881884_100015614560 [0,2,0,0,0,0|1,0,1]=4 5269 B18R2.59627 NC(=O)CC(=O)c1cccc2c1cccc2Br 1458a_100000188299_100000187820 [0,2,0,0,0,0|2,0,0]=4 5270 B18R2.59627 NC(=O)CC(=O)c1cccc2c1cccc2F 1458a_200000069828_100000187820 [0,2,0,0,0,0|2,0,0]=4 5271 B18R2.59627 NC(=O)CC(=O)c1cccc2c1cccc2O 1458a_100009866505_100000187820 [0,2,0,0,0,0|2,0,0]=4 5272 B18R2.59627 O=C([O-])CC(=O)c1cccc2c1cccc2Br 1458a_100000188299_100020667443 [0,2,0,0,0,0|1,0,1]=4 5273 B18R2.59627 O=C([O-])CC(=O)c1cccc2c1cccc2F 1458a_200000069828_100020667443 [0,2,0,0,0,0|1,0,1]=4 5274 B18R2.59627 O=C([O-])CC(=O)c1cccc2c1cccc2O 1458a_100009866505_100020667443 [0,2,0,0,0,0|1,0,1]=4 5275 B18R2.59628 CC(=O)C(C)Oc1cccc2c1cccc2Br 7a_100010003857_100000179758 [0,2,0,0,0,0|1,0,0]=3 5276 B18R2.59628 CC(=O)C(C)Oc1cccc2c1nccc2Br 7a_100000703299_100000179758 [0,2,0,0,0,0|2,0,0]=4 5277 B18R2.59628 CC(=O)C(C)Oc1cccc2c1nccc2C 7a_100000702989_100000179758 [0,2,0,0,0,0|2,0,0]=4 5278 B18R2.59628 CC(=O)C(C)Sc1cccc2c1cccc2F 62a_100009814033_100009817034 [0,2,0,0,0,0|1,1,0]=4 5279 B18R2.59628 CC(=O)C(C)Sc1cccc2c1cccc2F 62a_100009817034_100009814033 [0,2,0,0,0,0|1,1,0]=4 5280 B18R2.59628 CC(=O)C(C)Sc1cccc2c1cccc2N 62a_100009816864_100009814033 [0,2,0,0,0,0|1,1,0]=4 5281 B18R2.59628 CC(=O)C(C)Sc1cccc2c1cccc2O 62a_100009814033_100010003857 [0,2,0,0,0,0|1,1,0]=4 5282 B18R2.59628 CC(Nc1cccc2c1cccc2Br)C(=O)N 34a_100009816864_100000702099 [0,2,0,0,0,0|2,0,0]=4 5283 B18R2.59628 CC(Nc1cccc2c1cccc2Cl)C(=O)N 34a_100000077128_100000702099 [0,2,0,0,0,0|2,0,0]=4 5284 B18R2.59628 CC(Nc1cccc2c1cccc2O)C(=O)N 34a_100000210686_100000702099 [0,2,0,0,0,0|2,0,0]=4 5285 B18R2.59628 CC(Oc1cccc2c1cccc2Br)C(=O)N 34a_100010003857_100000702099 [0,2,0,0,0,0|1,0,0]=3 5286 B18R2.59628 CC(Oc1cccc2c1cccc2Br)C(=O)N 7a_100010003857_100000702099 [0,2,0,0,0,0|1,0,0]=3 5287 B18R2.59628 CC(Oc1cccc2c1cccc2N)C(=O)N 34a_100000210686_100000702099 [0,2,0,0,0,0|1,0,0]=3 5288 B18R2.59628 CC(Oc1cccc2c1nccc2Br)C(=O)N 34a_100000703299_100000702099 [0,2,0,0,0,0|2,0,0]=4 5289 B18R2.59628 CC(Oc1cccc2c1nccc2Br)C(=O)N 7a_100000703299_100000702099 [0,2,0,0,0,0|2,0,0]=4 5290 B18R2.59628 CC(Oc1ccnc2c1cccc2F)C(=O)N 34a_100000709910_100000702099 [0,2,0,0,0,0|2,0,0]=4 5291 B18R2.59628 CC(Sc1cccc2c1cccc2F)C(=O)N 62a_100000702099_100009817034 [0,2,0,0,0,0|1,1,0]=4 5292 B18R2.59628 CC(Sc1cccc2c1cccc2F)C(=O)N 62a_100009817034_100000702099 [0,2,0,0,0,0|1,1,0]=4 5293 B18R2.59628 CC(Sc1cccc2c1cccc2N)C(=O)N 62a_100009816864_100000702099 [0,2,0,0,0,0|1,1,0]=4 5294 B18R2.59628 CC(Sc1cccc2c1cccc2O)C(=O)N 62a_100000702099_100010003857 [0,2,0,0,0,0|1,1,0]=4 5295 B18R2.59628 Cc1ccnc2c1cccc2OC(C)C(=O)N 7a_100000702989_100000702099 [0,2,0,0,0,0|2,0,0]=4 5296 B18R2.59628 Cc1ccnc2c1cccc2OC(F)C(=O)N 7a_100000702989_100009813875 [0,2,0,0,0,0|2,0,0]=4 5297 B18R2.59628 NC(=O)C(F)Nc1cccc2c1cccc2Br 34a_100009816864_100009813875 [0,2,0,0,0,0|2,0,0]=4 5298 B18R2.59628 NC(=O)C(F)Nc1cccc2c1cccc2Cl 34a_100000077128_100009813875 [0,2,0,0,0,0|2,0,0]=4 5299 B18R2.59628 NC(=O)C(F)Nc1cccc2c1cccc2O 34a_100000210686_100009813875 [0,2,0,0,0,0|2,0,0]=4 5300 B18R2.59628 NC(=O)C(F)Oc1cccc2c1cccc2Br 34a_100010003857_100009813875 [0,2,0,0,0,0|1,0,0]=3 5301 B18R2.59628 NC(=O)C(F)Oc1cccc2c1cccc2Br 7a_100010003857_100009813875 [0,2,0,0,0,0|1,0,0]=3 5302 B18R2.59628 NC(=O)C(F)Oc1cccc2c1cccc2N 34a_100000210686_100009813875 [0,2,0,0,0,0|1,0,0]=3 5303 B18R2.59628 NC(=O)C(F)Oc1cccc2c1nccc2Br 34a_100000703299_100009813875 [0,2,0,0,0,0|2,0,0]=4 5304 B18R2.59628 NC(=O)C(F)Oc1cccc2c1nccc2Br 7a_100000703299_100009813875 [0,2,0,0,0,0|2,0,0]=4 5305 B18R2.59628 NC(=O)C(F)Oc1ccnc2c1cccc2F 34a_100000709910_100009813875 [0,2,0,0,0,0|2,0,0]=4 5306 B18R2.59628 NC(=O)C(F)Sc1cccc2c1cccc2F 62a_100009813875_100009817034 [0,2,0,0,0,0|1,1,0]=4 5307 B18R2.59628 NC(=O)C(F)Sc1cccc2c1cccc2F 62a_100009817034_100009813875 [0,2,0,0,0,0|1,1,0]=4 5308 B18R2.59628 NC(=O)C(F)Sc1cccc2c1cccc2N 62a_100009816864_100009813875 [0,2,0,0,0,0|1,1,0]=4 5309 B18R2.59628 NC(=O)C(F)Sc1cccc2c1cccc2O 62a_100009813875_100010003857 [0,2,0,0,0,0|1,1,0]=4 5310 B18R2.59628 Nc1cccc2c1cccc2OC(F)C(=O)[O-] 34a_100000210686_100020610796 [0,2,0,0,0,0|0,0,1]=3 5311 B18R2.59628 Nc1cccc2c1cccc2SC(F)C(=O)[O-] 62a_100009816864_100020610796 [0,2,0,0,0,0|0,1,1]=4 5312 B18R2.59628 O=C([O-])C(F)Nc1cccc2c1cccc2Br 34a_100009816864_100020610796 [0,2,0,0,0,0|1,0,1]=4 5313 B18R2.59628 O=C([O-])C(F)Nc1cccc2c1cccc2Cl 34a_100000077128_100020610796 [0,2,0,0,0,0|1,0,1]=4 5314 B18R2.59628 O=C([O-])C(F)Nc1cccc2c1cccc2O 34a_100000210686_100020610796 [0,2,0,0,0,0|1,0,1]=4 5315 B18R2.59628 O=C([O-])C(F)Oc1cccc2c1cccc2Br 34a_100010003857_100020610796 [0,2,0,0,0,0|0,0,1]=3 5316 B18R2.59628 O=C([O-])C(F)Oc1cccc2c1nccc2Br 34a_100000703299_100020610796 [0,2,0,0,0,0|1,0,1]=4 5317 B18R2.59628 O=C([O-])C(F)Oc1ccnc2c1cccc2F 34a_100000709910_100020610796 [0,2,0,0,0,0|1,0,1]=4 5318 B18R2.59628 O=C([O-])C(F)Sc1cccc2c1cccc2F 62a_100009817034_100020610796 [0,2,0,0,0,0|0,1,1]=4 5319 B18R2.59628 O=C([O-])C(F)Sc1cccc2c1cccc2F 62a_100020610796_100009817034 [0,2,0,0,0,0|0,1,1]=4 5320 B18R2.59628 O=C([O-])C(F)Sc1cccc2c1cccc2O 62a_100020610796_100010003857 [0,2,0,0,0,0|0,1,1]=4 5321 B18R2.95294 C=C(C#N)COc1cccc2c1cccc2Br 34a_100010003857_100000694840 [0,2,0,0,0,0|2,0,0]=4 5322 B18R2.95294 C=C(C#N)COc1cccc2c1cccc2N 34a_100000210686_100000694840 [0,2,0,0,0,0|2,0,0]=4 5323 B18R2.95294 C=CC(O)COc1cccc2c1cccc2Br 34a_100010003857_100000730141 [0,2,0,0,0,0|1,0,1]=4 5324 B18R2.95294 C=CC(O)COc1cccc2c1cccc2Br 7a_100010003857_100000730141 [0,2,0,0,0,0|1,0,1]=4 5325 B18R2.95294 C=CC(O)COc1cccc2c1cccc2N 34a_100000210686_100000730141 [0,2,0,0,0,0|1,0,1]=4 5326 B18R2.95294 CCC(=O)COc1cccc2c1cccc2Br 7a_100010003857_100000747405 [0,2,0,0,0,0|1,0,0]=3 5327 B18R2.95294 CCC(=O)COc1cccc2c1nccc2Br 7a_100000703299_100000747405 [0,2,0,0,0,0|2,0,0]=4 5328 B18R2.95294 CCC(=O)COc1cccc2c1nccc2C 7a_100000702989_100000747405 [0,2,0,0,0,0|2,0,0]=4 5329 B18R2.95294 CCC(=O)CSc1cccc2c1cccc2F 62a_100000747405_100009817034 [0,2,0,0,0,0|1,1,0]=4 5330 B18R2.95294 CCC(=O)CSc1cccc2c1cccc2F 62a_100009817034_100000747405 [0,2,0,0,0,0|1,1,0]=4 5331 B18R2.95294 CCC(=O)CSc1cccc2c1cccc2N 62a_100009816864_100000747405 [0,2,0,0,0,0|1,1,0]=4 5332 B18R2.95294 CCC(=O)CSc1cccc2c1cccc2O 62a_100000747405_100010003857 [0,2,0,0,0,0|1,1,0]=4 5333 B18R2.95294 CCC(O)COc1cccc2c1cccc2Br 34a_100010003857_100011218378 [0,2,0,0,0,0|1,0,1]=4 5334 B18R2.95294 CCC(O)COc1cccc2c1cccc2Br 7a_100010003857_100011218378 [0,2,0,0,0,0|1,0,1]=4 5335 B18R2.95294 CCC(O)COc1cccc2c1cccc2N 34a_100000210686_100011218378 [0,2,0,0,0,0|1,0,1]=4 5336 B18R2.95294 CNC(=O)CNc1cccc2c1cccc2Br 34a_100009816864_100000183359 [0,2,0,0,0,0|2,0,0]=4 5337 B18R2.95294 CNC(=O)CNc1cccc2c1cccc2Cl 34a_100000077128_100000183359 [0,2,0,0,0,0|2,0,0]=4 5338 B18R2.95294 CNC(=O)CNc1cccc2c1cccc2O 34a_100000210686_100000183359 [0,2,0,0,0,0|2,0,0]=4 5339 B18R2.95294 CNC(=O)COc1cccc2c1cccc2Br 34a_100010003857_100000183359 [0,2,0,0,0,0|1,0,0]=3 5340 B18R2.95294 CNC(=O)COc1cccc2c1cccc2Br 7a_100010003857_100000183359 [0,2,0,0,0,0|1,0,0]=3 5341 B18R2.95294 CNC(=O)COc1cccc2c1cccc2N 34a_100000210686_100000183359 [0,2,0,0,0,0|1,0,0]=3 5342 B18R2.95294 CNC(=O)COc1cccc2c1nccc2Br 34a_100000703299_100000183359 [0,2,0,0,0,0|2,0,0]=4 5343 B18R2.95294 CNC(=O)COc1cccc2c1nccc2Br 7a_100000703299_100000183359 [0,2,0,0,0,0|2,0,0]=4 5344 B18R2.95294 CNC(=O)COc1cccc2c1nccc2C 7a_100000702989_100000183359 [0,2,0,0,0,0|2,0,0]=4 5345 B18R2.95294 CNC(=O)COc1ccnc2c1cccc2F 34a_100000709910_100000183359 [0,2,0,0,0,0|2,0,0]=4 5346 B18R2.95294 CNC(=O)CSc1cccc2c1cccc2F 62a_100000183359_100009817034 [0,2,0,0,0,0|1,1,0]=4 5347 B18R2.95294 CNC(=O)CSc1cccc2c1cccc2F 62a_100009817034_100000183359 [0,2,0,0,0,0|1,1,0]=4 5348 B18R2.95294 CNC(=O)CSc1cccc2c1cccc2N 62a_100009816864_100000183359 [0,2,0,0,0,0|1,1,0]=4 5349 B18R2.95294 CNC(=O)CSc1cccc2c1cccc2O 62a_100000183359_100010003857 [0,2,0,0,0,0|1,1,0]=4 5350 B18R2.95294 COC(=O)CNc1cccc2c1ccc[n+]2C 34a_200021579679_100000747449 [0,2,0,0,0,0|2,0,0]=4 5351 B18R2.95294 COC(=O)CNc1cccc2c1cccc2Br 34a_100009816864_100000747449 [0,2,0,0,0,0|1,0,0]=3 5352 B18R2.95294 COC(=O)CNc1cccc2c1cccc2Cl 34a_100000077128_100000747449 [0,2,0,0,0,0|1,0,0]=3 5353 B18R2.95294 COC(=O)CNc1cccc2c1cccc2O 34a_100000210686_100000747449 [0,2,0,0,0,0|1,0,0]=3 5354 B18R2.95294 COC(=O)CNc1cccc2c1ccnc2Cl 34a_100000070072_100000747449 [0,2,0,0,0,0|2,0,0]=4 5355 B18R2.95294 COC(=O)CNc1cccc2c1nccc2C 34a_100011934384_100000747449 [0,2,0,0,0,0|2,0,0]=4 5356 B18R2.95294 COC(=O)CNc1cccc2c1nccc2Cl 34a_100009892510_100000747449 [0,2,0,0,0,0|2,0,0]=4 5357 B18R2.95294 COC(=O)COc1cccc2c1cccc2Br 34a_100010003857_100000747449 [0,2,0,0,0,0|0,0,0]=2 5358 B18R2.95294 COC(=O)COc1cccc2c1cccc2Br 7a_100010003857_100000747449 [0,2,0,0,0,0|0,0,0]=2 5359 B18R2.95294 COC(=O)COc1cccc2c1cccc2N 34a_100000210686_100000747449 [0,2,0,0,0,0|0,0,0]=2 5360 B18R2.95294 COC(=O)COc1cccc2c1nccc2Br 34a_100000703299_100000747449 [0,2,0,0,0,0|1,0,0]=3 5361 B18R2.95294 COC(=O)COc1cccc2c1nccc2Br 7a_100000703299_100000747449 [0,2,0,0,0,0|1,0,0]=3 5362 B18R2.95294 COC(=O)COc1cccc2c1nccc2C 7a_100000702989_100000747449 [0,2,0,0,0,0|1,0,0]=3 5363 B18R2.95294 COC(=O)COc1ccnc2c1cccc2F 34a_100000709910_100000747449 [0,2,0,0,0,0|1,0,0]=3 5364 B18R2.95294 COC(=O)CSc1cccc2c1cc[nH]c2=O 62a_100000747449_100000703947 [0,2,0,0,0,0|1,1,0]=4 5365 B18R2.95294 COC(=O)CSc1cccc2c1cccc2F 62a_100000747449_100009817034 [0,2,0,0,0,0|0,1,0]=3 5366 B18R2.95294 COC(=O)CSc1cccc2c1cccc2F 62a_100009817034_100000747449 [0,2,0,0,0,0|0,1,0]=3 5367 B18R2.95294 COC(=O)CSc1cccc2c1cccc2N 62a_100009816864_100000747449 [0,2,0,0,0,0|0,1,0]=3 5368 B18R2.95294 COC(=O)CSc1cccc2c1cccc2O 62a_100000747449_100010003857 [0,2,0,0,0,0|0,1,0]=3 5369 B18R2.95294 COC(=O)CSc1cccc2c1ccnc2C 62a_100000747449_100010137443 [0,2,0,0,0,0|1,1,0]=4 5370 B18R2.95294 COC(=O)CSc1cccc2c1ccnc2C 62a_100010137443_100000747449 [0,2,0,0,0,0|1,1,0]=4 5371 B18R2.95294 COC(=O)CSc1cccc2c1ccnc2Cl 62a_100000747449_100010080171 [0,2,0,0,0,0|1,1,0]=4 5372 B18R2.95294 COC(=O)CSc1cccc2c1ccnc2N 62a_103549770558_100000747449 [0,2,0,0,0,0|1,1,0]=4 5373 B18R2.95294 COC(=O)CSc1cccc2c1nccc2C 62a_100000747449_100010254272 [0,2,0,0,0,0|1,1,0]=4 5374 B18R2.95294 COC(=O)CSc1cccc2c1nccc2N 62a_100000747449_100011620713 [0,2,0,0,0,0|1,1,0]=4 5375 B18R2.95294 COC(=O)CSc1cccc2c1nccc2N 62a_100011620713_100000747449 [0,2,0,0,0,0|1,1,0]=4 5376 B18R2.95294 COC(=O)CSc1ccnc2c1cccc2C 62a_100000747449_100000751276 [0,2,0,0,0,0|1,1,0]=4 5377 B18R2.95294 COC(=O)CSc1ccnc2c1cccc2F 62a_100000747449_100011934723 [0,2,0,0,0,0|1,1,0]=4 5378 B18R2.95294 COC(=O)CSc1ccnc2c1cccc2F 62a_100011934723_100000747449 [0,2,0,0,0,0|1,1,0]=4 5379 B18R2.95294 COC(=O)CSc1ccnc2c1cccc2N 62a_100000747449_100009892510 [0,2,0,0,0,0|1,1,0]=4 5380 B18R2.95294 COC(=O)CSc1ccnc2c1cccc2O 62a_100000747449_100000703299 [0,2,0,0,0,0|1,1,0]=4 5381 B18R2.95294 COC(=O)CSc1cncc2c1cccc2F 62a_100000747449_100010740057 [0,2,0,0,0,0|1,1,0]=4 5382 B18R2.95294 COC(=O)CSc1cncc2c1cccc2F 62a_100010740057_100000747449 [0,2,0,0,0,0|1,1,0]=4 5383 B18R2.95294 COC(=O)CSc1nccc2c1cccc2C 62a_100000747449_100012002547 [0,2,0,0,0,0|1,1,0]=4 5384 B18R2.95294 COC(=O)CSc1nccc2c1cccc2F 62a_100000747449_100012180906 [0,2,0,0,0,0|1,1,0]=4 5385 B18R2.95294 COC(=O)CSc1nccc2c1cccc2N 62a_100000747449_100000070072 [0,2,0,0,0,0|1,1,0]=4 5386 B18R2.95294 C[C@@H](CO)COc1cccc2c1cccc2Br 34a_100010003857_100000059175 [0,2,0,0,0,0|1,0,1]=4 5387 B18R2.95294 C[C@@H](CO)COc1cccc2c1cccc2Br 7a_100010003857_100000059175 [0,2,0,0,0,0|1,0,1]=4 5388 B18R2.95294 C[C@@H](CO)COc1cccc2c1cccc2N 34a_100000210686_100000059175 [0,2,0,0,0,0|1,0,1]=4 5389 B18R2.95294 Nc1cccc2c1cccc2OCC(O)CO 34a_100000210686_100011219619 [0,2,0,0,0,0|0,0,2]=4 5390 B18R2.95294 Nc1cccc2c1cccc2OC[C@@H](O)CF 34a_100000210686_100015614560 [0,2,0,0,0,0|1,0,1]=4 5391 B18R2.95294 Nc1cccc2c1cccc2OC[C@@H](O)CO 34a_100000210686_100009815848 [0,2,0,0,0,0|0,0,2]=4 5392 B18R2.95294 OCC(O)COc1cccc2c1cccc2Br 34a_100010003857_100011219619 [0,2,0,0,0,0|0,0,2]=4 5393 B18R2.95294 OCC(O)COc1cccc2c1cccc2Br 7a_100010003857_100011219619 [0,2,0,0,0,0|0,0,2]=4 5394 B18R2.95294 OC[C@H](O)COc1cccc2c1cccc2Br 34a_100010003857_100009815848 [0,2,0,0,0,0|0,0,2]=4 5395 B18R2.95294 OC[C@H](O)COc1cccc2c1cccc2Br 7a_100010003857_100009815848 [0,2,0,0,0,0|0,0,2]=4 5396 B18R2.95294 O[C@@H](CF)COc1cccc2c1cccc2Br 34a_100010003857_100015614560 [0,2,0,0,0,0|1,0,1]=4 5397 B18R2.95294 O[C@@H](CF)COc1cccc2c1cccc2Br 7a_100010003857_100015614560 [0,2,0,0,0,0|1,0,1]=4 5398 B18R2.105443 N#Cc1cccc2c1cccc2NCC(=O)N 34a_100009861062_100000187820 [0,2,0,0,0,0|2,0,0]=4 5399 B18R2.105443 N#Cc1cccc2c1cccc2NCC(=O)[O-] 34a_100009861062_100020667443 [0,2,0,0,0,0|1,0,1]=4 5400 B18R2.481178 CC(C)(O)COc1cccc2c1cccc2Br 34a_100010003857_100000764493 [0,2,0,0,0,0|1,0,1]=4 5401 B18R2.481178 CC(C)(O)COc1cccc2c1cccc2Br 7a_100010003857_100000764493 [0,2,0,0,0,0|1,0,1]=4 5402 B18R2.481178 CC(C)(O)COc1cccc2c1cccc2N 34a_100000210686_100000764493 [0,2,0,0,0,0|1,0,1]=4 5403 B18R2.481178 Nc1cccc2c1cccc2OCS(=O)(=O)[O-] 34a_100000210686_100009817235 [0,2,0,0,0,0|1,0,1]=4 5404 B18R2.481178 O=S(=O)([O-])COc1cccc2c1cccc2Br 34a_100010003857_100009817235 [0,2,0,0,0,0|1,0,1]=4 5405 B18R2.504864 Cc1ccc(c2c1nccc2OCC(=O)N)Cl 34a_200011310535_100000187820 [0,2,0,0,0,0|2,0,0]=4 5406 B18R2.504864 Cc1ccc(c2c1nccc2OCC(=O)N)Cl 7a_200011310535_100000187820 [0,2,0,0,0,0|2,0,0]=4 5407 B18R2.504864 Cc1ccc(c2c1nccc2OCC(=O)[O-])Cl 34a_200011310535_100020667443 [0,2,0,0,0,0|1,0,1]=4 5408 B18R2.62415 Cc1ccc(c2c1cccc2)C(=O)CC(=O)N 1458a_100011217726_100000187820 [0,2,0,0,0,0|2,0,0]=4 5409 B18R2.62415 Cc1ccc(c2c1cccc2)C(=O)CC(=O)[O-] 1458a_100011217726_100020667443 [0,2,0,0,0,0|1,0,1]=4 5410 B18R2.62415 NC(=O)CC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_100000187820 [0,2,0,0,0,0|2,0,0]=4 5411 B18R2.62415 NC(=O)CC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100000187820 [0,2,0,0,0,0|2,0,0]=4 5412 B18R2.62415 NC(=O)CC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_100000187820 [0,2,0,0,0,0|2,0,0]=4 5413 B18R2.62415 O=C([O-])CC(=O)c1ccc(c2c1cccc2)Br 1458a_100012047197_100020667443 [0,2,0,0,0,0|1,0,1]=4 5414 B18R2.62415 O=C([O-])CC(=O)c1ccc(c2c1cccc2)Cl 1458a_100012348593_100020667443 [0,2,0,0,0,0|1,0,1]=4 5415 B18R2.62415 O=C([O-])CC(=O)c1ccc(c2c1cccc2)F 1458a_100000186238_100020667443 [0,2,0,0,0,0|1,0,1]=4 5416 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1cccc2)Br 7a_100000186334_100000179758 [0,2,0,0,0,0|1,0,0]=3 5417 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1cccc2)C 7a_100000074455_100000179758 [0,2,0,0,0,0|1,0,0]=3 5418 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1cccc2)Cl 7a_100000211000_100000179758 [0,2,0,0,0,0|1,0,0]=3 5419 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1cccc2)F 7a_100000100223_100000179758 [0,2,0,0,0,0|1,0,0]=3 5420 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1cccc2)N 7a_100000705857_100000179758 [0,2,0,0,0,0|1,0,0]=3 5421 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1nccc2)Br 7a_100011934063_100000179758 [0,2,0,0,0,0|2,0,0]=4 5422 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1nccc2)C 7a_100000058672_100000179758 [0,2,0,0,0,0|2,0,0]=4 5423 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1nccc2)Cl 7a_100000212186_100000179758 [0,2,0,0,0,0|2,0,0]=4 5424 B18R2.62416 CC(=O)C(C)Oc1ccc(c2c1nccc2)F 7a_100000034212_100000179758 [0,2,0,0,0,0|2,0,0]=4 5425 B18R2.62416 CC(=O)C(C)Oc1cnc(c2c1cccc2)Cl 7a_100000067196_100000179758 [0,2,0,0,0,0|2,0,0]=4 5426 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)Br 62a_100009814033_100012339872 [0,2,0,0,0,0|1,1,0]=4 5427 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)Br 62a_100012339872_100009814033 [0,2,0,0,0,0|1,1,0]=4 5428 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)C 62a_100009814033_100011215156 [0,2,0,0,0,0|1,1,0]=4 5429 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)C 62a_100011215156_100009814033 [0,2,0,0,0,0|1,1,0]=4 5430 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)F 62a_100009814033_100011218216 [0,2,0,0,0,0|1,1,0]=4 5431 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)F 62a_100011218216_100009814033 [0,2,0,0,0,0|1,1,0]=4 5432 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)N 62a_100000766797_100009814033 [0,2,0,0,0,0|1,1,0]=4 5433 B18R2.62416 CC(=O)C(C)Sc1ccc(c2c1cccc2)O 62a_100009814033_100000186334 [0,2,0,0,0,0|1,1,0]=4 5434 B18R2.62416 CC(Nc1ccc(c2c1cccc2)Br)C(=O)N 34a_100000766797_100000702099 [0,2,0,0,0,0|2,0,0]=4 5435 B18R2.62416 CC(Nc1ccc(c2c1cccc2)Cl)C(=O)N 34a_100011216319_100000702099 [0,2,0,0,0,0|2,0,0]=4 5436 B18R2.62416 CC(Nc1ccc(c2c1cccc2)F)C(=O)N 34a_100011988692_100000702099 [0,2,0,0,0,0|2,0,0]=4 5437 B18R2.62416 CC(Nc1ccc(c2c1cccc2)O)C(=O)N 34a_100000705857_100000702099 [0,2,0,0,0,0|2,0,0]=4 5438 B18R2.62416 CC(Oc1ccc(c2c1cccc2)Br)C(=O)N 34a_100000186334_100000702099 [0,2,0,0,0,0|1,0,0]=3 5439 B18R2.62416 CC(Oc1ccc(c2c1cccc2)Br)C(=O)N 7a_100000186334_100000702099 [0,2,0,0,0,0|1,0,0]=3 5440 B18R2.62416 CC(Oc1ccc(c2c1cccc2)Cl)C(=O)N 34a_100000211000_100000702099 [0,2,0,0,0,0|1,0,0]=3 5441 B18R2.62416 CC(Oc1ccc(c2c1cccc2)Cl)C(=O)N 7a_100000211000_100000702099 [0,2,0,0,0,0|1,0,0]=3 5442 B18R2.62416 CC(Oc1ccc(c2c1cccc2)F)C(=O)N 34a_100000100223_100000702099 [0,2,0,0,0,0|1,0,0]=3 5443 B18R2.62416 CC(Oc1ccc(c2c1cccc2)F)C(=O)N 7a_100000100223_100000702099 [0,2,0,0,0,0|1,0,0]=3 5444 B18R2.62416 CC(Oc1ccc(c2c1cccc2)N)C(=O)N 34a_100000705857_100000702099 [0,2,0,0,0,0|1,0,0]=3 5445 B18R2.62416 CC(Oc1ccc(c2c1cccc2)N)C(=O)N 7a_100000705857_100000702099 [0,2,0,0,0,0|1,0,0]=3 5446 B18R2.62416 CC(Oc1ccc(c2c1nccc2)Br)C(=O)N 34a_100011934063_100000702099 [0,2,0,0,0,0|2,0,0]=4 5447 B18R2.62416 CC(Oc1ccc(c2c1nccc2)Br)C(=O)N 7a_100011934063_100000702099 [0,2,0,0,0,0|2,0,0]=4 5448 B18R2.62416 CC(Oc1ccc(c2c1nccc2)Cl)C(=O)N 34a_100000212186_100000702099 [0,2,0,0,0,0|2,0,0]=4 5449 B18R2.62416 CC(Oc1ccc(c2c1nccc2)Cl)C(=O)N 7a_100000212186_100000702099 [0,2,0,0,0,0|2,0,0]=4 5450 B18R2.62416 CC(Oc1ccc(c2c1nccc2)F)C(=O)N 34a_100000034212_100000702099 [0,2,0,0,0,0|2,0,0]=4 5451 B18R2.62416 CC(Oc1ccc(c2c1nccc2)F)C(=O)N 7a_100000034212_100000702099 [0,2,0,0,0,0|2,0,0]=4 5452 B18R2.62416 CC(Oc1ccc(c2c1nccc2)N)C(=O)N 34a_100000188197_100000702099 [0,2,0,0,0,0|2,0,0]=4 5453 B18R2.62416 CC(Oc1cnc(c2c1cccc2)Cl)C(=O)N 34a_100000067196_100000702099 [0,2,0,0,0,0|2,0,0]=4 5454 B18R2.62416 CC(Oc1cnc(c2c1cccc2)Cl)C(=O)N 7a_100000067196_100000702099 [0,2,0,0,0,0|2,0,0]=4 5455 B18R2.62416 CC(Sc1ccc(c2c1cccc2)Br)C(=O)N 62a_100000702099_100012339872 [0,2,0,0,0,0|1,1,0]=4 5456 B18R2.62416 CC(Sc1ccc(c2c1cccc2)Br)C(=O)N 62a_100012339872_100000702099 [0,2,0,0,0,0|1,1,0]=4 5457 B18R2.62416 CC(Sc1ccc(c2c1cccc2)F)C(=O)N 62a_100000702099_100011218216 [0,2,0,0,0,0|1,1,0]=4 5458 B18R2.62416 CC(Sc1ccc(c2c1cccc2)F)C(=O)N 62a_100011218216_100000702099 [0,2,0,0,0,0|1,1,0]=4 5459 B18R2.62416 CC(Sc1ccc(c2c1cccc2)N)C(=O)N 62a_100000766797_100000702099 [0,2,0,0,0,0|1,1,0]=4 5460 B18R2.62416 CC(Sc1ccc(c2c1cccc2)O)C(=O)N 62a_100000702099_100000186334 [0,2,0,0,0,0|1,1,0]=4 5461 B18R2.62416 Cc1ccc(c2c1cccc2)OC(C)C(=O)N 34a_100000074455_100000702099 [0,2,0,0,0,0|1,0,0]=3 5462 B18R2.62416 Cc1ccc(c2c1cccc2)OC(C)C(=O)N 7a_100000074455_100000702099 [0,2,0,0,0,0|1,0,0]=3 5463 B18R2.62416 Cc1ccc(c2c1cccc2)OC(F)C(=O)N 34a_100000074455_100009813875 [0,2,0,0,0,0|1,0,0]=3 5464 B18R2.62416 Cc1ccc(c2c1cccc2)OC(F)C(=O)N 7a_100000074455_100009813875 [0,2,0,0,0,0|1,0,0]=3 5465 B18R2.62416 Cc1ccc(c2c1cccc2)OC(F)C(=O)[O-] 34a_100000074455_100020610796 [0,2,0,0,0,0|0,0,1]=3 5466 B18R2.62416 Cc1ccc(c2c1cccc2)SC(C)C(=O)N 62a_100000702099_100011215156 [0,2,0,0,0,0|1,1,0]=4 5467 B18R2.62416 Cc1ccc(c2c1cccc2)SC(C)C(=O)N 62a_100011215156_100000702099 [0,2,0,0,0,0|1,1,0]=4 5468 B18R2.62416 Cc1ccc(c2c1cccc2)SC(F)C(=O)N 62a_100009813875_100011215156 [0,2,0,0,0,0|1,1,0]=4 5469 B18R2.62416 Cc1ccc(c2c1cccc2)SC(F)C(=O)N 62a_100011215156_100009813875 [0,2,0,0,0,0|1,1,0]=4 5470 B18R2.62416 Cc1ccc(c2c1cccc2)SC(F)C(=O)[O-] 62a_100011215156_100020610796 [0,2,0,0,0,0|0,1,1]=4 5471 B18R2.62416 Cc1ccc(c2c1cccc2)SC(F)C(=O)[O-] 62a_100020610796_100011215156 [0,2,0,0,0,0|0,1,1]=4 5472 B18R2.62416 Cc1ccc(c2c1cccn2)OC(C)C(=O)N 34a_100000058672_100000702099 [0,2,0,0,0,0|2,0,0]=4 5473 B18R2.62416 Cc1ccc(c2c1cccn2)OC(C)C(=O)N 7a_100000058672_100000702099 [0,2,0,0,0,0|2,0,0]=4 5474 B18R2.62416 Cc1ccc(c2c1cccn2)OC(F)C(=O)N 34a_100000058672_100009813875 [0,2,0,0,0,0|2,0,0]=4 5475 B18R2.62416 Cc1ccc(c2c1cccn2)OC(F)C(=O)N 7a_100000058672_100009813875 [0,2,0,0,0,0|2,0,0]=4 5476 B18R2.62416 Cc1ccc(c2c1cccn2)OC(F)C(=O)[O-] 34a_100000058672_100020610796 [0,2,0,0,0,0|1,0,1]=4 5477 B18R2.62416 NC(=O)C(F)Nc1ccc(c2c1cccc2)Br 34a_100000766797_100009813875 [0,2,0,0,0,0|2,0,0]=4 5478 B18R2.62416 NC(=O)C(F)Nc1ccc(c2c1cccc2)Cl 34a_100011216319_100009813875 [0,2,0,0,0,0|2,0,0]=4 5479 B18R2.62416 NC(=O)C(F)Nc1ccc(c2c1cccc2)F 34a_100011988692_100009813875 [0,2,0,0,0,0|2,0,0]=4 5480 B18R2.62416 NC(=O)C(F)Nc1ccc(c2c1cccc2)O 34a_100000705857_100009813875 [0,2,0,0,0,0|2,0,0]=4 5481 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)Br 34a_100000186334_100009813875 [0,2,0,0,0,0|1,0,0]=3 5482 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)Br 7a_100000186334_100009813875 [0,2,0,0,0,0|1,0,0]=3 5483 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)Cl 34a_100000211000_100009813875 [0,2,0,0,0,0|1,0,0]=3 5484 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)Cl 7a_100000211000_100009813875 [0,2,0,0,0,0|1,0,0]=3 5485 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)F 34a_100000100223_100009813875 [0,2,0,0,0,0|1,0,0]=3 5486 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)F 7a_100000100223_100009813875 [0,2,0,0,0,0|1,0,0]=3 5487 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)N 34a_100000705857_100009813875 [0,2,0,0,0,0|1,0,0]=3 5488 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1cccc2)N 7a_100000705857_100009813875 [0,2,0,0,0,0|1,0,0]=3 5489 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1nccc2)Br 34a_100011934063_100009813875 [0,2,0,0,0,0|2,0,0]=4 5490 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1nccc2)Br 7a_100011934063_100009813875 [0,2,0,0,0,0|2,0,0]=4 5491 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1nccc2)Cl 34a_100000212186_100009813875 [0,2,0,0,0,0|2,0,0]=4 5492 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1nccc2)Cl 7a_100000212186_100009813875 [0,2,0,0,0,0|2,0,0]=4 5493 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1nccc2)F 34a_100000034212_100009813875 [0,2,0,0,0,0|2,0,0]=4 5494 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1nccc2)F 7a_100000034212_100009813875 [0,2,0,0,0,0|2,0,0]=4 5495 B18R2.62416 NC(=O)C(F)Oc1ccc(c2c1nccc2)N 34a_100000188197_100009813875 [0,2,0,0,0,0|2,0,0]=4 5496 B18R2.62416 NC(=O)C(F)Oc1cnc(c2c1cccc2)Cl 34a_100000067196_100009813875 [0,2,0,0,0,0|2,0,0]=4 5497 B18R2.62416 NC(=O)C(F)Oc1cnc(c2c1cccc2)Cl 7a_100000067196_100009813875 [0,2,0,0,0,0|2,0,0]=4 5498 B18R2.62416 NC(=O)C(F)Sc1ccc(c2c1cccc2)Br 62a_100009813875_100012339872 [0,2,0,0,0,0|1,1,0]=4 5499 B18R2.62416 NC(=O)C(F)Sc1ccc(c2c1cccc2)Br 62a_100012339872_100009813875 [0,2,0,0,0,0|1,1,0]=4 5500 B18R2.62416 NC(=O)C(F)Sc1ccc(c2c1cccc2)F 62a_100009813875_100011218216 [0,2,0,0,0,0|1,1,0]=4 5501 B18R2.62416 NC(=O)C(F)Sc1ccc(c2c1cccc2)F 62a_100011218216_100009813875 [0,2,0,0,0,0|1,1,0]=4 5502 B18R2.62416 NC(=O)C(F)Sc1ccc(c2c1cccc2)N 62a_100000766797_100009813875 [0,2,0,0,0,0|1,1,0]=4 5503 B18R2.62416 NC(=O)C(F)Sc1ccc(c2c1cccc2)O 62a_100009813875_100000186334 [0,2,0,0,0,0|1,1,0]=4 5504 B18R2.62416 Nc1ccc(c2c1cccc2)OC(F)C(=O)[O-] 34a_100000705857_100020610796 [0,2,0,0,0,0|0,0,1]=3 5505 B18R2.62416 Nc1ccc(c2c1cccc2)SC(F)C(=O)[O-] 62a_100000766797_100020610796 [0,2,0,0,0,0|0,1,1]=4 5506 B18R2.62416 Nc1ccc(c2c1cccn2)OC(F)C(=O)[O-] 34a_100000188197_100020610796 [0,2,0,0,0,0|1,0,1]=4 5507 B18R2.62416 O=C([O-])C(F)Nc1ccc(c2c1cccc2)Br 34a_100000766797_100020610796 [0,2,0,0,0,0|1,0,1]=4 5508 B18R2.62416 O=C([O-])C(F)Nc1ccc(c2c1cccc2)Cl 34a_100011216319_100020610796 [0,2,0,0,0,0|1,0,1]=4 5509 B18R2.62416 O=C([O-])C(F)Nc1ccc(c2c1cccc2)F 34a_100011988692_100020610796 [0,2,0,0,0,0|1,0,1]=4 5510 B18R2.62416 O=C([O-])C(F)Nc1ccc(c2c1cccc2)O 34a_100000705857_100020610796 [0,2,0,0,0,0|1,0,1]=4 5511 B18R2.62416 O=C([O-])C(F)Oc1ccc(c2c1cccc2)Br 34a_100000186334_100020610796 [0,2,0,0,0,0|0,0,1]=3 5512 B18R2.62416 O=C([O-])C(F)Oc1ccc(c2c1cccc2)Cl 34a_100000211000_100020610796 [0,2,0,0,0,0|0,0,1]=3 5513 B18R2.62416 O=C([O-])C(F)Oc1ccc(c2c1cccc2)F 34a_100000100223_100020610796 [0,2,0,0,0,0|0,0,1]=3 5514 B18R2.62416 O=C([O-])C(F)Oc1ccc(c2c1nccc2)Br 34a_100011934063_100020610796 [0,2,0,0,0,0|1,0,1]=4 5515 B18R2.62416 O=C([O-])C(F)Oc1ccc(c2c1nccc2)Cl 34a_100000212186_100020610796 [0,2,0,0,0,0|1,0,1]=4 5516 B18R2.62416 O=C([O-])C(F)Oc1ccc(c2c1nccc2)F 34a_100000034212_100020610796 [0,2,0,0,0,0|1,0,1]=4 5517 B18R2.62416 O=C([O-])C(F)Oc1cnc(c2c1cccc2)Cl 34a_100000067196_100020610796 [0,2,0,0,0,0|1,0,1]=4 5518 B18R2.62416 O=C([O-])C(F)Sc1ccc(c2c1cccc2)Br 62a_100012339872_100020610796 [0,2,0,0,0,0|0,1,1]=4 5519 B18R2.62416 O=C([O-])C(F)Sc1ccc(c2c1cccc2)Br 62a_100020610796_100012339872 [0,2,0,0,0,0|0,1,1]=4 5520 B18R2.62416 O=C([O-])C(F)Sc1ccc(c2c1cccc2)F 62a_100011218216_100020610796 [0,2,0,0,0,0|0,1,1]=4 5521 B18R2.62416 O=C([O-])C(F)Sc1ccc(c2c1cccc2)F 62a_100020610796_100011218216 [0,2,0,0,0,0|0,1,1]=4 5522 B18R2.62416 O=C([O-])C(F)Sc1ccc(c2c1cccc2)O 62a_100020610796_100000186334 [0,2,0,0,0,0|0,1,1]=4 5523 B18R2.95331 C=C(C#N)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000694840 [0,2,0,0,0,0|2,0,0]=4 5524 B18R2.95331 C=C(C#N)COc1ccc(c2c1cccc2)C 34a_100000074455_100000694840 [0,2,0,0,0,0|2,0,0]=4 5525 B18R2.95331 C=C(C#N)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000694840 [0,2,0,0,0,0|2,0,0]=4 5526 B18R2.95331 C=C(C#N)COc1ccc(c2c1cccc2)F 34a_100000100223_100000694840 [0,2,0,0,0,0|2,0,0]=4 5527 B18R2.95331 C=C(C#N)COc1ccc(c2c1cccc2)N 34a_100000705857_100000694840 [0,2,0,0,0,0|2,0,0]=4 5528 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000730141 [0,2,0,0,0,0|1,0,1]=4 5529 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000730141 [0,2,0,0,0,0|1,0,1]=4 5530 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)C 34a_100000074455_100000730141 [0,2,0,0,0,0|1,0,1]=4 5531 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)C 7a_100000074455_100000730141 [0,2,0,0,0,0|1,0,1]=4 5532 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000730141 [0,2,0,0,0,0|1,0,1]=4 5533 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000730141 [0,2,0,0,0,0|1,0,1]=4 5534 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)F 34a_100000100223_100000730141 [0,2,0,0,0,0|1,0,1]=4 5535 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)F 7a_100000100223_100000730141 [0,2,0,0,0,0|1,0,1]=4 5536 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)N 34a_100000705857_100000730141 [0,2,0,0,0,0|1,0,1]=4 5537 B18R2.95331 C=CC(O)COc1ccc(c2c1cccc2)N 7a_100000705857_100000730141 [0,2,0,0,0,0|1,0,1]=4 5538 B18R2.95331 CCC(=O)CCc1ccc(c2c1cccc2)C 1458a_200010294770_100000210202 [0,2,0,0,0,0|2,0,0]=4 5539 B18R2.95331 CCC(=O)COc1ccc(c2c1cccc2)Br 1458a_100009812199_100000210202 [0,2,0,0,0,0|1,0,0]=3 5540 B18R2.95331 CCC(=O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000747405 [0,2,0,0,0,0|1,0,0]=3 5541 B18R2.95331 CCC(=O)COc1ccc(c2c1cccc2)C 7a_100000074455_100000747405 [0,2,0,0,0,0|1,0,0]=3 5542 B18R2.95331 CCC(=O)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_100000210202 [0,2,0,0,0,0|1,0,0]=3 5543 B18R2.95331 CCC(=O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000747405 [0,2,0,0,0,0|1,0,0]=3 5544 B18R2.95331 CCC(=O)COc1ccc(c2c1cccc2)F 7a_100000100223_100000747405 [0,2,0,0,0,0|1,0,0]=3 5545 B18R2.95331 CCC(=O)COc1ccc(c2c1cccc2)N 7a_100000705857_100000747405 [0,2,0,0,0,0|1,0,0]=3 5546 B18R2.95331 CCC(=O)COc1ccc(c2c1nccc2)Br 7a_100011934063_100000747405 [0,2,0,0,0,0|2,0,0]=4 5547 B18R2.95331 CCC(=O)COc1ccc(c2c1nccc2)C 7a_100000058672_100000747405 [0,2,0,0,0,0|2,0,0]=4 5548 B18R2.95331 CCC(=O)COc1ccc(c2c1nccc2)Cl 1458a_100000246055_100000210202 [0,2,0,0,0,0|2,0,0]=4 5549 B18R2.95331 CCC(=O)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100000747405 [0,2,0,0,0,0|2,0,0]=4 5550 B18R2.95331 CCC(=O)COc1ccc(c2c1nccc2)F 7a_100000034212_100000747405 [0,2,0,0,0,0|2,0,0]=4 5551 B18R2.95331 CCC(=O)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100000747405 [0,2,0,0,0,0|2,0,0]=4 5552 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)Br 62a_100000747405_100012339872 [0,2,0,0,0,0|1,1,0]=4 5553 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100000747405 [0,2,0,0,0,0|1,1,0]=4 5554 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)C 62a_100000747405_100011215156 [0,2,0,0,0,0|1,1,0]=4 5555 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)C 62a_100011215156_100000747405 [0,2,0,0,0,0|1,1,0]=4 5556 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)F 62a_100000747405_100011218216 [0,2,0,0,0,0|1,1,0]=4 5557 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000747405 [0,2,0,0,0,0|1,1,0]=4 5558 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000747405 [0,2,0,0,0,0|1,1,0]=4 5559 B18R2.95331 CCC(=O)CSc1ccc(c2c1cccc2)O 62a_100000747405_100000186334 [0,2,0,0,0,0|1,1,0]=4 5560 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100011218378 [0,2,0,0,0,0|1,0,1]=4 5561 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100011218378 [0,2,0,0,0,0|1,0,1]=4 5562 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)C 34a_100000074455_100011218378 [0,2,0,0,0,0|1,0,1]=4 5563 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)C 7a_100000074455_100011218378 [0,2,0,0,0,0|1,0,1]=4 5564 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100011218378 [0,2,0,0,0,0|1,0,1]=4 5565 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100011218378 [0,2,0,0,0,0|1,0,1]=4 5566 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)F 34a_100000100223_100011218378 [0,2,0,0,0,0|1,0,1]=4 5567 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)F 7a_100000100223_100011218378 [0,2,0,0,0,0|1,0,1]=4 5568 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)N 34a_100000705857_100011218378 [0,2,0,0,0,0|1,0,1]=4 5569 B18R2.95331 CCC(O)COc1ccc(c2c1cccc2)N 7a_100000705857_100011218378 [0,2,0,0,0,0|1,0,1]=4 5570 B18R2.95331 CNC(=O)CCc1ccc(c2c1cccc2)C 11a_106832991635_200010294770 [0,2,0,0,0,0|2,0,0]=4 5571 B18R2.95331 CNC(=O)CCc1ccc(c2c1cccc2)C 1626a_100102657272_200010294770 [0,2,0,0,0,0|2,0,0]=4 5572 B18R2.95331 CNC(=O)CCc1ccc(c2c1cccc2)C 240690a_100102657272_200010294770 [0,2,0,0,0,0|2,0,0]=4 5573 B18R2.95331 CNC(=O)CCc1ccc(c2c1cccc2)C 527a_100102657272_200010294770 [0,2,0,0,0,0|2,0,0]=4 5574 B18R2.95331 CNC(=O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000183359 [0,2,0,0,0,0|2,0,0]=4 5575 B18R2.95331 CNC(=O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000183359 [0,2,0,0,0,0|2,0,0]=4 5576 B18R2.95331 CNC(=O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100000183359 [0,2,0,0,0,0|2,0,0]=4 5577 B18R2.95331 CNC(=O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100000183359 [0,2,0,0,0,0|2,0,0]=4 5578 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Br 11a_106832991635_100009812199 [0,2,0,0,0,0|1,0,0]=3 5579 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Br 1626a_100102657272_100009812199 [0,2,0,0,0,0|1,0,0]=3 5580 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Br 240690a_100102657272_100009812199 [0,2,0,0,0,0|1,0,0]=3 5581 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000183359 [0,2,0,0,0,0|1,0,0]=3 5582 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Br 527a_100102657272_100009812199 [0,2,0,0,0,0|1,0,0]=3 5583 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000183359 [0,2,0,0,0,0|1,0,0]=3 5584 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)C 34a_100000074455_100000183359 [0,2,0,0,0,0|1,0,0]=3 5585 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)C 7a_100000074455_100000183359 [0,2,0,0,0,0|1,0,0]=3 5586 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Cl 11a_106832991635_100000191257 [0,2,0,0,0,0|1,0,0]=3 5587 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Cl 1626a_100102657272_100000191257 [0,2,0,0,0,0|1,0,0]=3 5588 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Cl 240690a_100102657272_100000191257 [0,2,0,0,0,0|1,0,0]=3 5589 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000183359 [0,2,0,0,0,0|1,0,0]=3 5590 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Cl 527a_100102657272_100000191257 [0,2,0,0,0,0|1,0,0]=3 5591 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000183359 [0,2,0,0,0,0|1,0,0]=3 5592 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)F 34a_100000100223_100000183359 [0,2,0,0,0,0|1,0,0]=3 5593 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)F 7a_100000100223_100000183359 [0,2,0,0,0,0|1,0,0]=3 5594 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)N 34a_100000705857_100000183359 [0,2,0,0,0,0|1,0,0]=3 5595 B18R2.95331 CNC(=O)COc1ccc(c2c1cccc2)N 7a_100000705857_100000183359 [0,2,0,0,0,0|1,0,0]=3 5596 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Br 34a_100011934063_100000183359 [0,2,0,0,0,0|2,0,0]=4 5597 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Br 7a_100011934063_100000183359 [0,2,0,0,0,0|2,0,0]=4 5598 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)C 34a_100000058672_100000183359 [0,2,0,0,0,0|2,0,0]=4 5599 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)C 7a_100000058672_100000183359 [0,2,0,0,0,0|2,0,0]=4 5600 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Cl 11a_106832991635_100000246055 [0,2,0,0,0,0|2,0,0]=4 5601 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Cl 1626a_100102657272_100000246055 [0,2,0,0,0,0|2,0,0]=4 5602 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Cl 240690a_100102657272_100000246055 [0,2,0,0,0,0|2,0,0]=4 5603 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100000183359 [0,2,0,0,0,0|2,0,0]=4 5604 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Cl 527a_100102657272_100000246055 [0,2,0,0,0,0|2,0,0]=4 5605 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100000183359 [0,2,0,0,0,0|2,0,0]=4 5606 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)F 34a_100000034212_100000183359 [0,2,0,0,0,0|2,0,0]=4 5607 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)F 7a_100000034212_100000183359 [0,2,0,0,0,0|2,0,0]=4 5608 B18R2.95331 CNC(=O)COc1ccc(c2c1nccc2)N 34a_100000188197_100000183359 [0,2,0,0,0,0|2,0,0]=4 5609 B18R2.95331 CNC(=O)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100000183359 [0,2,0,0,0,0|2,0,0]=4 5610 B18R2.95331 CNC(=O)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100000183359 [0,2,0,0,0,0|2,0,0]=4 5611 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)Br 62a_100000183359_100012339872 [0,2,0,0,0,0|1,1,0]=4 5612 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100000183359 [0,2,0,0,0,0|1,1,0]=4 5613 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)C 62a_100000183359_100011215156 [0,2,0,0,0,0|1,1,0]=4 5614 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)C 62a_100011215156_100000183359 [0,2,0,0,0,0|1,1,0]=4 5615 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)F 62a_100000183359_100011218216 [0,2,0,0,0,0|1,1,0]=4 5616 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000183359 [0,2,0,0,0,0|1,1,0]=4 5617 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000183359 [0,2,0,0,0,0|1,1,0]=4 5618 B18R2.95331 CNC(=O)CSc1ccc(c2c1cccc2)O 62a_100000183359_100000186334 [0,2,0,0,0,0|1,1,0]=4 5619 B18R2.95331 COC(=O)CNc1ccc(c2c1cccc2)Br 34a_100000766797_100000747449 [0,2,0,0,0,0|1,0,0]=3 5620 B18R2.95331 COC(=O)CNc1ccc(c2c1cccc2)Cl 34a_100011216319_100000747449 [0,2,0,0,0,0|1,0,0]=3 5621 B18R2.95331 COC(=O)CNc1ccc(c2c1cccc2)F 34a_100011988692_100000747449 [0,2,0,0,0,0|1,0,0]=3 5622 B18R2.95331 COC(=O)CNc1ccc(c2c1cccc2)O 34a_100000705857_100000747449 [0,2,0,0,0,0|1,0,0]=3 5623 B18R2.95331 COC(=O)CNc1ccc(c2c1cccn2)Br 34a_100012360041_100000747449 [0,2,0,0,0,0|2,0,0]=4 5624 B18R2.95331 COC(=O)CNc1ccc(c2c1cccn2)C 34a_100000736242_100000747449 [0,2,0,0,0,0|2,0,0]=4 5625 B18R2.95331 COC(=O)CNc1ccc(c2c1cccn2)Cl 34a_100000746469_100000747449 [0,2,0,0,0,0|2,0,0]=4 5626 B18R2.95331 COC(=O)CNc1ccc(c2c1cccn2)F 34a_102125277280_100000747449 [0,2,0,0,0,0|2,0,0]=4 5627 B18R2.95331 COC(=O)CNc1ccc(c2c1cccn2)O 34a_100000188197_100000747449 [0,2,0,0,0,0|2,0,0]=4 5628 B18R2.95331 COC(=O)CNc1ccc(c2c1ccnc2)Cl 34a_100012183343_100000747449 [0,2,0,0,0,0|2,0,0]=4 5629 B18R2.95331 COC(=O)CNc1ccc(c2c1nccc2)Br 34a_100000726955_100000747449 [0,2,0,0,0,0|2,0,0]=4 5630 B18R2.95331 COC(=O)CNc1ccc(c2c1nccc2)Cl 34a_100000736140_100000747449 [0,2,0,0,0,0|2,0,0]=4 5631 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000747449 [0,2,0,0,0,0|0,0,0]=2 5632 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000747449 [0,2,0,0,0,0|0,0,0]=2 5633 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)C 34a_100000074455_100000747449 [0,2,0,0,0,0|0,0,0]=2 5634 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)C 7a_100000074455_100000747449 [0,2,0,0,0,0|0,0,0]=2 5635 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000747449 [0,2,0,0,0,0|0,0,0]=2 5636 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000747449 [0,2,0,0,0,0|0,0,0]=2 5637 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)F 34a_100000100223_100000747449 [0,2,0,0,0,0|0,0,0]=2 5638 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)F 7a_100000100223_100000747449 [0,2,0,0,0,0|0,0,0]=2 5639 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)N 34a_100000705857_100000747449 [0,2,0,0,0,0|0,0,0]=2 5640 B18R2.95331 COC(=O)COc1ccc(c2c1cccc2)N 7a_100000705857_100000747449 [0,2,0,0,0,0|0,0,0]=2 5641 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)Br 34a_100011934063_100000747449 [0,2,0,0,0,0|1,0,0]=3 5642 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)Br 7a_100011934063_100000747449 [0,2,0,0,0,0|1,0,0]=3 5643 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)C 34a_100000058672_100000747449 [0,2,0,0,0,0|1,0,0]=3 5644 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)C 7a_100000058672_100000747449 [0,2,0,0,0,0|1,0,0]=3 5645 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)Cl 34a_100000212186_100000747449 [0,2,0,0,0,0|1,0,0]=3 5646 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)Cl 7a_100000212186_100000747449 [0,2,0,0,0,0|1,0,0]=3 5647 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)F 34a_100000034212_100000747449 [0,2,0,0,0,0|1,0,0]=3 5648 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)F 7a_100000034212_100000747449 [0,2,0,0,0,0|1,0,0]=3 5649 B18R2.95331 COC(=O)COc1ccc(c2c1nccc2)N 34a_100000188197_100000747449 [0,2,0,0,0,0|1,0,0]=3 5650 B18R2.95331 COC(=O)COc1cnc(c2c1cccc2)Cl 34a_100000067196_100000747449 [0,2,0,0,0,0|1,0,0]=3 5651 B18R2.95331 COC(=O)COc1cnc(c2c1cccc2)Cl 7a_100000067196_100000747449 [0,2,0,0,0,0|1,0,0]=3 5652 B18R2.95331 COC(=O)COc1nnc(c2c1cccc2)C 34a_100000183092_100000747449 [0,2,0,0,0,0|2,0,0]=4 5653 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)Br 62a_100000747449_100012339872 [0,2,0,0,0,0|0,1,0]=3 5654 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)Br 62a_100012339872_100000747449 [0,2,0,0,0,0|0,1,0]=3 5655 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)C 62a_100000747449_100011215156 [0,2,0,0,0,0|0,1,0]=3 5656 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)C 62a_100011215156_100000747449 [0,2,0,0,0,0|0,1,0]=3 5657 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)F 62a_100000747449_100011218216 [0,2,0,0,0,0|0,1,0]=3 5658 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)F 62a_100011218216_100000747449 [0,2,0,0,0,0|0,1,0]=3 5659 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)N 62a_100000766797_100000747449 [0,2,0,0,0,0|0,1,0]=3 5660 B18R2.95331 COC(=O)CSc1ccc(c2c1cccc2)O 62a_100000747449_100000186334 [0,2,0,0,0,0|0,1,0]=3 5661 B18R2.95331 COC(=O)CSc1ccc(c2c1cccn2)C 62a_100000747449_100000694312 [0,2,0,0,0,0|1,1,0]=4 5662 B18R2.95331 COC(=O)CSc1ccc(c2c1cccn2)F 62a_100000747449_100010245834 [0,2,0,0,0,0|1,1,0]=4 5663 B18R2.95331 COC(=O)CSc1ccc(c2c1cccn2)F 62a_100010245834_100000747449 [0,2,0,0,0,0|1,1,0]=4 5664 B18R2.95331 COC(=O)CSc1ccc(c2c1cccn2)N 62a_100000726955_100000747449 [0,2,0,0,0,0|1,1,0]=4 5665 B18R2.95331 COC(=O)CSc1ccc(c2c1cccn2)N 62a_100000747449_100000726955 [0,2,0,0,0,0|1,1,0]=4 5666 B18R2.95331 COC(=O)CSc1ccc(c2c1cccn2)O 62a_100000747449_100011934063 [0,2,0,0,0,0|1,1,0]=4 5667 B18R2.95331 COC(=O)CSc1ccc(c2c1ccnc2)F 62a_100000698020_100000747449 [0,2,0,0,0,0|1,1,0]=4 5668 B18R2.95331 COC(=O)CSc1ccc(c2c1ccnc2)F 62a_100000747449_100000698020 [0,2,0,0,0,0|1,1,0]=4 5669 B18R2.95331 COC(=O)CSc1ccc(c2c1ccnc2)N 62a_100000747449_100011218454 [0,2,0,0,0,0|1,1,0]=4 5670 B18R2.95331 COC(=O)CSc1ccc(c2c1ccnc2)N 62a_100011218454_100000747449 [0,2,0,0,0,0|1,1,0]=4 5671 B18R2.95331 COC(=O)CSc1ccc(c2c1cncc2)F 62a_100000747449_100010244717 [0,2,0,0,0,0|1,1,0]=4 5672 B18R2.95331 COC(=O)CSc1ccc(c2c1cncc2)F 62a_100010244717_100000747449 [0,2,0,0,0,0|1,1,0]=4 5673 B18R2.95331 COC(=O)CSc1ccc(c2c1cncc2)N 62a_100000747449_200012344021 [0,2,0,0,0,0|1,1,0]=4 5674 B18R2.95331 COC(=O)CSc1ccc(c2c1cncc2)N 62a_200012344021_100000747449 [0,2,0,0,0,0|1,1,0]=4 5675 B18R2.95331 COC(=O)CSc1ccc(c2c1nccc2)F 62a_100000747449_100010214461 [0,2,0,0,0,0|1,1,0]=4 5676 B18R2.95331 COC(=O)CSc1ccc(c2c1nccc2)F 62a_100010214461_100000747449 [0,2,0,0,0,0|1,1,0]=4 5677 B18R2.95331 COC(=O)CSc1ccc(c2c1nccc2)N 62a_100000747449_100012360041 [0,2,0,0,0,0|1,1,0]=4 5678 B18R2.95331 COC(=O)CSc1ccc(c2c1nccc2)N 62a_100012360041_100000747449 [0,2,0,0,0,0|1,1,0]=4 5679 B18R2.95331 COC(=O)CSc1cnc(c2c1cccc2)C 62a_100000747449_100010239772 [0,2,0,0,0,0|1,1,0]=4 5680 B18R2.95331 COC(=O)CSc1cnc(c2c1cccc2)C 62a_100010239772_100000747449 [0,2,0,0,0,0|1,1,0]=4 5681 B18R2.95331 COC(=O)CSc1cnc(c2c1cccc2)N 62a_100000747449_100010158575 [0,2,0,0,0,0|1,1,0]=4 5682 B18R2.95331 COC(=O)CSc1cnc(c2c1cccc2)N 62a_100010158575_100000747449 [0,2,0,0,0,0|1,1,0]=4 5683 B18R2.95331 COC(=O)CSc1cnc(c2c1cccc2)O 62a_100000747449_100009816523 [0,2,0,0,0,0|1,1,0]=4 5684 B18R2.95331 COC(=O)CSc1ncc(c2c1cccc2)C 62a_100000747449_100000112005 [0,2,0,0,0,0|1,1,0]=4 5685 B18R2.95331 COC(=O)CSc1ncc(c2c1cccc2)N 62a_100000747449_200009868590 [0,2,0,0,0,0|1,1,0]=4 5686 B18R2.95331 COC(=O)CSc1ncc(c2c1cccc2)O 62a_100000747449_100000067196 [0,2,0,0,0,0|1,1,0]=4 5687 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000059175 [0,2,0,0,0,0|1,0,1]=4 5688 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000059175 [0,2,0,0,0,0|1,0,1]=4 5689 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000059175 [0,2,0,0,0,0|1,0,1]=4 5690 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000059175 [0,2,0,0,0,0|1,0,1]=4 5691 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)F 34a_100000100223_100000059175 [0,2,0,0,0,0|1,0,1]=4 5692 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)F 7a_100000100223_100000059175 [0,2,0,0,0,0|1,0,1]=4 5693 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)N 34a_100000705857_100000059175 [0,2,0,0,0,0|1,0,1]=4 5694 B18R2.95331 C[C@@H](CO)COc1ccc(c2c1cccc2)N 7a_100000705857_100000059175 [0,2,0,0,0,0|1,0,1]=4 5695 B18R2.95331 Cc1ccc(c2c1cccc2)CCC(=O)CF 1458a_200010294770_100015361967 [0,2,0,0,0,0|2,0,0]=4 5696 B18R2.95331 Cc1ccc(c2c1cccc2)OCC(O)CO 34a_100000074455_100011219619 [0,2,0,0,0,0|0,0,2]=4 5697 B18R2.95331 Cc1ccc(c2c1cccc2)OCC(O)CO 7a_100000074455_100011219619 [0,2,0,0,0,0|0,0,2]=4 5698 B18R2.95331 Cc1ccc(c2c1cccc2)OC[C@@H](C)CO 34a_100000074455_100000059175 [0,2,0,0,0,0|1,0,1]=4 5699 B18R2.95331 Cc1ccc(c2c1cccc2)OC[C@@H](C)CO 7a_100000074455_100000059175 [0,2,0,0,0,0|1,0,1]=4 5700 B18R2.95331 Cc1ccc(c2c1cccc2)OC[C@@H](O)CF 34a_100000074455_100015614560 [0,2,0,0,0,0|1,0,1]=4 5701 B18R2.95331 Cc1ccc(c2c1cccc2)OC[C@@H](O)CF 7a_100000074455_100015614560 [0,2,0,0,0,0|1,0,1]=4 5702 B18R2.95331 Cc1ccc(c2c1cccc2)OC[C@@H](O)CO 34a_100000074455_100009815848 [0,2,0,0,0,0|0,0,2]=4 5703 B18R2.95331 Cc1ccc(c2c1cccc2)OC[C@@H](O)CO 7a_100000074455_100009815848 [0,2,0,0,0,0|0,0,2]=4 5704 B18R2.95331 Nc1ccc(c2c1cccc2)OCC(O)CO 34a_100000705857_100011219619 [0,2,0,0,0,0|0,0,2]=4 5705 B18R2.95331 Nc1ccc(c2c1cccc2)OCC(O)CO 7a_100000705857_100011219619 [0,2,0,0,0,0|0,0,2]=4 5706 B18R2.95331 Nc1ccc(c2c1cccc2)OC[C@@H](O)CF 34a_100000705857_100015614560 [0,2,0,0,0,0|1,0,1]=4 5707 B18R2.95331 Nc1ccc(c2c1cccc2)OC[C@@H](O)CF 7a_100000705857_100015614560 [0,2,0,0,0,0|1,0,1]=4 5708 B18R2.95331 Nc1ccc(c2c1cccc2)OC[C@@H](O)CO 34a_100000705857_100009815848 [0,2,0,0,0,0|0,0,2]=4 5709 B18R2.95331 Nc1ccc(c2c1cccc2)OC[C@@H](O)CO 7a_100000705857_100009815848 [0,2,0,0,0,0|0,0,2]=4 5710 B18R2.95331 O=C(CF)COc1ccc(c2c1cccc2)Br 1458a_100009812199_100015361967 [0,2,0,0,0,0|1,0,0]=3 5711 B18R2.95331 O=C(CF)COc1ccc(c2c1cccc2)Cl 1458a_100000191257_100015361967 [0,2,0,0,0,0|1,0,0]=3 5712 B18R2.95331 O=C(CF)COc1ccc(c2c1nccc2)Cl 1458a_100000246055_100015361967 [0,2,0,0,0,0|2,0,0]=4 5713 B18R2.95331 O=C(CO)NCc1ccc(c2c1cccc2)Br 240690a_100016995114_100000210174 [0,2,0,0,0,0|2,0,0]=4 5714 B18R2.95331 O=C(CO)NCc1ccc(c2c1cccc2)Br 527a_100016995114_100000210174 [0,2,0,0,0,0|2,0,0]=4 5715 B18R2.95331 OCC(O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100011219619 [0,2,0,0,0,0|0,0,2]=4 5716 B18R2.95331 OCC(O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100011219619 [0,2,0,0,0,0|0,0,2]=4 5717 B18R2.95331 OCC(O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100011219619 [0,2,0,0,0,0|0,0,2]=4 5718 B18R2.95331 OCC(O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100011219619 [0,2,0,0,0,0|0,0,2]=4 5719 B18R2.95331 OCC(O)COc1ccc(c2c1cccc2)F 34a_100000100223_100011219619 [0,2,0,0,0,0|0,0,2]=4 5720 B18R2.95331 OCC(O)COc1ccc(c2c1cccc2)F 7a_100000100223_100011219619 [0,2,0,0,0,0|0,0,2]=4 5721 B18R2.95331 OC[C@H](O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100009815848 [0,2,0,0,0,0|0,0,2]=4 5722 B18R2.95331 OC[C@H](O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100009815848 [0,2,0,0,0,0|0,0,2]=4 5723 B18R2.95331 OC[C@H](O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100009815848 [0,2,0,0,0,0|0,0,2]=4 5724 B18R2.95331 OC[C@H](O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100009815848 [0,2,0,0,0,0|0,0,2]=4 5725 B18R2.95331 OC[C@H](O)COc1ccc(c2c1cccc2)F 34a_100000100223_100009815848 [0,2,0,0,0,0|0,0,2]=4 5726 B18R2.95331 OC[C@H](O)COc1ccc(c2c1cccc2)F 7a_100000100223_100009815848 [0,2,0,0,0,0|0,0,2]=4 5727 B18R2.95331 O[C@@H](CF)COc1ccc(c2c1cccc2)Br 34a_100000186334_100015614560 [0,2,0,0,0,0|1,0,1]=4 5728 B18R2.95331 O[C@@H](CF)COc1ccc(c2c1cccc2)Br 7a_100000186334_100015614560 [0,2,0,0,0,0|1,0,1]=4 5729 B18R2.95331 O[C@@H](CF)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100015614560 [0,2,0,0,0,0|1,0,1]=4 5730 B18R2.95331 O[C@@H](CF)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100015614560 [0,2,0,0,0,0|1,0,1]=4 5731 B18R2.95331 O[C@@H](CF)COc1ccc(c2c1cccc2)F 34a_100000100223_100015614560 [0,2,0,0,0,0|1,0,1]=4 5732 B18R2.95331 O[C@@H](CF)COc1ccc(c2c1cccc2)F 7a_100000100223_100015614560 [0,2,0,0,0,0|1,0,1]=4 5733 B18R2.111152 C=C(C)COc1ccc(c2c1cccc2)OC 34a_100000032393_100000748629 [0,2,0,0,0,0|2,0,0]=4 5734 B18R2.111152 C=C(C)COc1ccc(c2c1cccc2)OC 7a_100000032393_100000748629 [0,2,0,0,0,0|2,0,0]=4 5735 B18R2.111152 C=C(F)COc1ccc(c2c1cccc2)OC 34a_100000032393_100009893438 [0,2,0,0,0,0|2,0,0]=4 5736 B18R2.111152 C=C(F)COc1ccc(c2c1cccc2)OC 7a_100000032393_100000042424 [0,2,0,0,0,0|2,0,0]=4 5737 B18R2.111152 CCc1ccc(c2c1cccc2)NCC(=O)N 34a_200009955361_100000187820 [0,2,0,0,0,0|2,0,0]=4 5738 B18R2.111152 CCc1ccc(c2c1cccc2)NCC(=O)[O-] 34a_200009955361_100020667443 [0,2,0,0,0,0|1,0,1]=4 5739 B18R2.111152 COc1ccc(c2c1cccc2)NCC(=O)N 34a_100020629631_100000187820 [0,2,0,0,0,0|2,0,0]=4 5740 B18R2.111152 COc1ccc(c2c1cccc2)NCC(=O)[O-] 34a_100020629631_100020667443 [0,2,0,0,0,0|1,0,1]=4 5741 B18R2.111152 COc1ccc(c2c1cccc2)OCC(=O)N 34a_100000032393_100000187820 [0,2,0,0,0,0|1,0,0]=3 5742 B18R2.111152 COc1ccc(c2c1cccc2)OCC(=O)N 7a_100000032393_100000187820 [0,2,0,0,0,0|1,0,0]=3 5743 B18R2.111152 COc1ccc(c2c1cccc2)OCC(=O)[O-] 34a_100000032393_100020667443 [0,2,0,0,0,0|0,0,1]=3 5744 B18R2.111152 COc1ccc(c2c1cccc2)OCC(C)O 34a_100000032393_100011218427 [0,2,0,0,0,0|1,0,1]=4 5745 B18R2.111152 COc1ccc(c2c1cccc2)OCC(C)O 7a_100000032393_100011218427 [0,2,0,0,0,0|1,0,1]=4 5746 B18R2.111152 COc1ccc(c2c1cccc2)OC[C@@H](C)O 34a_100000032393_100009817552 [0,2,0,0,0,0|1,0,1]=4 5747 B18R2.111152 COc1ccc(c2c1cccc2)OC[C@@H](C)O 7a_100000032393_100009817552 [0,2,0,0,0,0|1,0,1]=4 5748 B18R2.111152 COc1ccc(c2c1cccc2)OC[N+](=O)[O-] 34a_100000032393_100000761209 [0,2,0,0,0,0|1,0,1]=4 5749 B18R2.111152 COc1ccc(c2c1cccn2)OCC(=O)N 34a_100009853971_100000187820 [0,2,0,0,0,0|2,0,0]=4 5750 B18R2.111152 COc1ccc(c2c1cccn2)OCC(=O)[O-] 34a_100009853971_100020667443 [0,2,0,0,0,0|1,0,1]=4 5751 B18R2.111152 N#Cc1ccc(c2c1cccc2)NCC(=O)N 34a_100011215170_100000187820 [0,2,0,0,0,0|2,0,0]=4 5752 B18R2.111152 N#Cc1ccc(c2c1cccc2)NCC(=O)[O-] 34a_100011215170_100020667443 [0,2,0,0,0,0|1,0,1]=4 5753 B18R2.111152 N#Cc1ccc(c2c1cccc2)SCC(=O)N 62a_100000747473_100012344970 [0,2,0,0,0,0|1,1,0]=4 5754 B18R2.111152 N#Cc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100012344970 [0,2,0,0,0,0|0,1,1]=4 5755 B18R2.111152 NC(=O)COc1ccc(c2c1nccc2)CCl 34a_100000683097_100000187820 [0,2,0,0,0,0|2,0,0]=4 5756 B18R2.111152 NC(=O)COc1ccc(c2c1nccc2)CCl 7a_100000683097_100000187820 [0,2,0,0,0,0|2,0,0]=4 5757 B18R2.111152 NC(=O)COc1ccc(c2c1nccc2)CO 34a_100000013431_100000187820 [0,2,0,0,0,0|2,0,0]=4 5758 B18R2.111152 NC(=O)COc1ccc(c2c1nccc2)N=O 34a_100000184029_100000187820 [0,2,0,0,0,0|2,0,0]=4 5759 B18R2.111152 NC(=O)COc1ccc(c2c1nccc2)N=O 7a_100000184029_100000187820 [0,2,0,0,0,0|2,0,0]=4 5760 B18R2.111152 NC(=O)CSc1ccc(c2c1cccc2)C=O 62a_100012359940_100000747473 [0,2,0,0,0,0|1,1,0]=4 5761 B18R2.111152 NCc1ccc(c2c1cccc2)SCC(=O)N 62a_100000747473_100016995114 [0,2,0,0,0,0|1,1,0]=4 5762 B18R2.111152 NCc1ccc(c2c1cccc2)SCC(=O)N 62a_100016995114_100000747473 [0,2,0,0,0,0|1,1,0]=4 5763 B18R2.111152 NCc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100016995114_100020667443 [0,2,0,0,0,0|0,1,1]=4 5764 B18R2.111152 NCc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100016995114 [0,2,0,0,0,0|0,1,1]=4 5765 B18R2.111152 O=C([O-])COc1ccc(c2c1nccc2)CCl 34a_100000683097_100020667443 [0,2,0,0,0,0|1,0,1]=4 5766 B18R2.111152 O=C([O-])COc1ccc(c2c1nccc2)CO 34a_100000013431_100020667443 [0,2,0,0,0,0|1,0,1]=4 5767 B18R2.111152 O=Cc1ccc(c2c1cccc2)SCC(=O)[O-] 62a_100012359940_100020667443 [0,2,0,0,0,0|0,1,1]=4 5768 B18R2.111152 O=Nc1ccc(c2c1cccn2)OCC(=O)[O-] 34a_100000184029_100020667443 [0,2,0,0,0,0|1,0,1]=4 5769 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)Br 34a_100000186334_100000764493 [0,2,0,0,0,0|1,0,1]=4 5770 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)Br 7a_100000186334_100000764493 [0,2,0,0,0,0|1,0,1]=4 5771 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)Cl 34a_100000211000_100000764493 [0,2,0,0,0,0|1,0,1]=4 5772 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)Cl 7a_100000211000_100000764493 [0,2,0,0,0,0|1,0,1]=4 5773 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)F 34a_100000100223_100000764493 [0,2,0,0,0,0|1,0,1]=4 5774 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)F 7a_100000100223_100000764493 [0,2,0,0,0,0|1,0,1]=4 5775 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)N 34a_100000705857_100000764493 [0,2,0,0,0,0|1,0,1]=4 5776 B18R2.506261 CC(C)(O)COc1ccc(c2c1cccc2)N 7a_100000705857_100000764493 [0,2,0,0,0,0|1,0,1]=4 5777 B18R2.506261 Cc1ccc(c2c1cccc2)OCC(C)(C)O 34a_100000074455_100000764493 [0,2,0,0,0,0|1,0,1]=4 5778 B18R2.506261 Cc1ccc(c2c1cccc2)OCC(C)(C)O 7a_100000074455_100000764493 [0,2,0,0,0,0|1,0,1]=4 5779 B18R2.506261 Cc1ccc(c2c1cccc2)OCS(=O)(=O)[O-] 34a_100000074455_100009817235 [0,2,0,0,0,0|1,0,1]=4 5780 B18R2.506261 Nc1ccc(c2c1cccc2)OCS(=O)(=O)[O-] 34a_100000705857_100009817235 [0,2,0,0,0,0|1,0,1]=4 5781 B18R2.506261 O=S(=O)([O-])COc1ccc(c2c1cccc2)Br 34a_100000186334_100009817235 [0,2,0,0,0,0|1,0,1]=4 5782 B18R2.506261 O=S(=O)([O-])COc1ccc(c2c1cccc2)Cl 34a_100000211000_100009817235 [0,2,0,0,0,0|1,0,1]=4 5783 B18R2.506261 O=S(=O)([O-])COc1ccc(c2c1cccc2)F 34a_100000100223_100009817235 [0,2,0,0,0,0|1,0,1]=4 5784 B18R2.481232 Cc1cccc2c1c(ccc2)C(=O)CC(=O)N 1458a_100009854087_100000187820 [0,2,0,0,0,0|2,0,0]=4 5785 B18R2.481232 Cc1cccc2c1c(ccc2)C(=O)CC(=O)[O-] 1458a_100009854087_100020667443 [0,2,0,0,0,0|1,0,1]=4 5786 B18R2.481232 NC(=O)CC(=O)c1cccc2c1c(ccc2)Br 1458a_100000698601_100000187820 [0,2,0,0,0,0|2,0,0]=4 5787 B18R2.481232 NC(=O)CC(=O)c1cccc2c1c(ccc2)I 1458a_100000040841_100000187820 [0,2,0,0,0,0|2,0,0]=4 5788 B18R2.481232 O=C([O-])CC(=O)c1cccc2c1c(ccc2)Br 1458a_100000698601_100020667443 [0,2,0,0,0,0|1,0,1]=4 5789 B18R2.481232 O=C([O-])CC(=O)c1cccc2c1c(ccc2)I 1458a_100000040841_100020667443 [0,2,0,0,0,0|1,0,1]=4 5790 B18R2.481233 CC(=O)C(C)Nc1cccc2c1c(ccc2)C 7a_100009841044_100000179758 [0,2,0,0,0,0|2,0,0]=4 5791 B18R2.481233 CC(=O)C(C)Nc1cccc2c1c(ccc2)F 7a_100009878580_100000179758 [0,2,0,0,0,0|2,0,0]=4 5792 B18R2.481233 CC(=O)C(C)Oc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000179758 [0,2,0,0,0,0|2,0,0]=4 5793 B18R2.481233 CC(=O)C(C)Oc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000179758 [0,2,0,0,0,0|2,0,0]=4 5794 B18R2.481233 CC(=O)C(C)Oc1cccc2c1c(=O)cco2 7a_100000040341_100000179758 [0,2,0,0,0,0|2,0,0]=4 5795 B18R2.481233 CC(=O)C(C)Oc1cccc2c1c(ccc2)Br 7a_100010089961_100000179758 [0,2,0,0,0,0|1,0,0]=3 5796 B18R2.481233 CC(=O)C(C)Sc1cccc2c1c(ccc2)Br 62a_100009814033_100010243825 [0,2,0,0,0,0|1,1,0]=4 5797 B18R2.481233 CC(=O)C(C)Sc1cccc2c1c(ccc2)Br 62a_100010243825_100009814033 [0,2,0,0,0,0|1,1,0]=4 5798 B18R2.481233 CC(=O)C(C)Sc1cccc2c1c(ccc2)C 62a_100009814033_100009995290 [0,2,0,0,0,0|1,1,0]=4 5799 B18R2.481233 CC(=O)C(C)Sc1cccc2c1c(ccc2)F 62a_100009814033_100010177852 [0,2,0,0,0,0|1,1,0]=4 5800 B18R2.481233 CC(=O)C(C)Sc1cccc2c1c(ccc2)F 62a_100010177852_100009814033 [0,2,0,0,0,0|1,1,0]=4 5801 B18R2.481233 CC(=O)C(C)Sc1cccc2c1c(ccc2)N 62a_100010002837_100009814033 [0,2,0,0,0,0|1,1,0]=4 5802 B18R2.481233 CC(=O)C(C)Sc1cccc2c1c(ccc2)O 62a_100009814033_100010089961 [0,2,0,0,0,0|1,1,0]=4 5803 B18R2.481233 CC(Nc1cccc2c1c(ccc2)Br)C(=O)N 34a_100010002837_100000702099 [0,2,0,0,0,0|2,0,0]=4 5804 B18R2.481233 CC(Nc1cccc2c1c(ccc2)Cl)C(=O)N 34a_100009857565_100000702099 [0,2,0,0,0,0|2,0,0]=4 5805 B18R2.481233 CC(Nc1cccc2c1c(ccc2)F)C(=O)N 34a_100009878580_100000702099 [0,2,0,0,0,0|2,0,0]=4 5806 B18R2.481233 CC(Nc1cccc2c1c(ccc2)F)C(=O)N 7a_100009878580_100000702099 [0,2,0,0,0,0|2,0,0]=4 5807 B18R2.481233 CC(Oc1cccc2c1[n+](ccc2)[O-])C(=O)N 34a_100000039631_100000702099 [0,2,0,0,0,0|2,0,0]=4 5808 B18R2.481233 CC(Oc1cccc2c1[n+](ccc2)[O-])C(=O)N 7a_100000039631_100000702099 [0,2,0,0,0,0|2,0,0]=4 5809 B18R2.481233 CC(Oc1cccc2c1c(=O)[nH]cc2)C(=O)N 34a_200010358299_100000702099 [0,2,0,0,0,0|2,0,0]=4 5810 B18R2.481233 CC(Oc1cccc2c1c(=O)[nH]cc2)C(=O)N 7a_200010358299_100000702099 [0,2,0,0,0,0|2,0,0]=4 5811 B18R2.481233 CC(Oc1cccc2c1c(=O)cco2)C(=O)N 34a_100000040341_100000702099 [0,2,0,0,0,0|2,0,0]=4 5812 B18R2.481233 CC(Oc1cccc2c1c(=O)cco2)C(=O)N 7a_100000040341_100000702099 [0,2,0,0,0,0|2,0,0]=4 5813 B18R2.481233 CC(Oc1cccc2c1c(ccc2)Br)C(=O)N 34a_100010089961_100000702099 [0,2,0,0,0,0|1,0,0]=3 5814 B18R2.481233 CC(Oc1cccc2c1c(ccc2)Br)C(=O)N 7a_100010089961_100000702099 [0,2,0,0,0,0|1,0,0]=3 5815 B18R2.481233 CC(Oc1ccnc2c1c(ccc2)Br)C(=O)N 34a_100010187735_100000702099 [0,2,0,0,0,0|2,0,0]=4 5816 B18R2.481233 CC(Oc1nccc2c1c(ccc2)Br)C(=O)N 34a_100010162479_100000702099 [0,2,0,0,0,0|2,0,0]=4 5817 B18R2.481233 CC(Oc1nccc2c1c(ccc2)Cl)C(=O)N 34a_200010297299_100000702099 [0,2,0,0,0,0|2,0,0]=4 5818 B18R2.481233 CC(Sc1cccc2c1c(ccc2)Br)C(=O)N 62a_100000702099_100010243825 [0,2,0,0,0,0|1,1,0]=4 5819 B18R2.481233 CC(Sc1cccc2c1c(ccc2)Br)C(=O)N 62a_100010243825_100000702099 [0,2,0,0,0,0|1,1,0]=4 5820 B18R2.481233 CC(Sc1cccc2c1c(ccc2)F)C(=O)N 62a_100000702099_100010177852 [0,2,0,0,0,0|1,1,0]=4 5821 B18R2.481233 CC(Sc1cccc2c1c(ccc2)F)C(=O)N 62a_100010177852_100000702099 [0,2,0,0,0,0|1,1,0]=4 5822 B18R2.481233 CC(Sc1cccc2c1c(ccc2)N)C(=O)N 62a_100010002837_100000702099 [0,2,0,0,0,0|1,1,0]=4 5823 B18R2.481233 CC(Sc1cccc2c1c(ccc2)O)C(=O)N 62a_100000702099_100010089961 [0,2,0,0,0,0|1,1,0]=4 5824 B18R2.481233 Cc1cccc2c1c(ccc2)NC(C)C(=O)N 34a_100009841044_100000702099 [0,2,0,0,0,0|2,0,0]=4 5825 B18R2.481233 Cc1cccc2c1c(ccc2)NC(C)C(=O)N 7a_100009841044_100000702099 [0,2,0,0,0,0|2,0,0]=4 5826 B18R2.481233 Cc1cccc2c1c(ccc2)NC(F)C(=O)N 34a_100009841044_100009813875 [0,2,0,0,0,0|2,0,0]=4 5827 B18R2.481233 Cc1cccc2c1c(ccc2)NC(F)C(=O)N 7a_100009841044_100009813875 [0,2,0,0,0,0|2,0,0]=4 5828 B18R2.481233 Cc1cccc2c1c(ccc2)NC(F)C(=O)[O-] 34a_100009841044_100020610796 [0,2,0,0,0,0|1,0,1]=4 5829 B18R2.481233 Cc1cccc2c1c(ccc2)SC(C)C(=O)N 62a_100000702099_100009995290 [0,2,0,0,0,0|1,1,0]=4 5830 B18R2.481233 Cc1cccc2c1c(ccc2)SC(F)C(=O)N 62a_100009813875_100009995290 [0,2,0,0,0,0|1,1,0]=4 5831 B18R2.481233 Cc1cccc2c1c(ccc2)SC(F)C(=O)[O-] 62a_100020610796_100009995290 [0,2,0,0,0,0|0,1,1]=4 5832 B18R2.481233 Cc1cccc2c1c(ccn2)OC(C)C(=O)N 34a_100000087318_100000702099 [0,2,0,0,0,0|2,0,0]=4 5833 B18R2.481233 Cc1cccc2c1c(ccn2)OC(F)C(=O)N 34a_100000087318_100009813875 [0,2,0,0,0,0|2,0,0]=4 5834 B18R2.481233 Cc1cccc2c1c(ccn2)OC(F)C(=O)[O-] 34a_100000087318_100020610796 [0,2,0,0,0,0|1,0,1]=4 5835 B18R2.481233 NC(=O)C(F)Nc1cccc2c1c(ccc2)Br 34a_100010002837_100009813875 [0,2,0,0,0,0|2,0,0]=4 5836 B18R2.481233 NC(=O)C(F)Nc1cccc2c1c(ccc2)Cl 34a_100009857565_100009813875 [0,2,0,0,0,0|2,0,0]=4 5837 B18R2.481233 NC(=O)C(F)Nc1cccc2c1c(ccc2)F 34a_100009878580_100009813875 [0,2,0,0,0,0|2,0,0]=4 5838 B18R2.481233 NC(=O)C(F)Nc1cccc2c1c(ccc2)F 7a_100009878580_100009813875 [0,2,0,0,0,0|2,0,0]=4 5839 B18R2.481233 NC(=O)C(F)Oc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100009813875 [0,2,0,0,0,0|2,0,0]=4 5840 B18R2.481233 NC(=O)C(F)Oc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100009813875 [0,2,0,0,0,0|2,0,0]=4 5841 B18R2.481233 NC(=O)C(F)Oc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100009813875 [0,2,0,0,0,0|2,0,0]=4 5842 B18R2.481233 NC(=O)C(F)Oc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100009813875 [0,2,0,0,0,0|2,0,0]=4 5843 B18R2.481233 NC(=O)C(F)Oc1cccc2c1c(=O)cco2 34a_100000040341_100009813875 [0,2,0,0,0,0|2,0,0]=4 5844 B18R2.481233 NC(=O)C(F)Oc1cccc2c1c(=O)cco2 7a_100000040341_100009813875 [0,2,0,0,0,0|2,0,0]=4 5845 B18R2.481233 NC(=O)C(F)Oc1cccc2c1c(ccc2)Br 34a_100010089961_100009813875 [0,2,0,0,0,0|1,0,0]=3 5846 B18R2.481233 NC(=O)C(F)Oc1cccc2c1c(ccc2)Br 7a_100010089961_100009813875 [0,2,0,0,0,0|1,0,0]=3 5847 B18R2.481233 NC(=O)C(F)Oc1ccnc2c1c(ccc2)Br 34a_100010187735_100009813875 [0,2,0,0,0,0|2,0,0]=4 5848 B18R2.481233 NC(=O)C(F)Oc1nccc2c1c(ccc2)Br 34a_100010162479_100009813875 [0,2,0,0,0,0|2,0,0]=4 5849 B18R2.481233 NC(=O)C(F)Oc1nccc2c1c(ccc2)Cl 34a_200010297299_100009813875 [0,2,0,0,0,0|2,0,0]=4 5850 B18R2.481233 NC(=O)C(F)Sc1cccc2c1c(ccc2)Br 62a_100009813875_100010243825 [0,2,0,0,0,0|1,1,0]=4 5851 B18R2.481233 NC(=O)C(F)Sc1cccc2c1c(ccc2)Br 62a_100010243825_100009813875 [0,2,0,0,0,0|1,1,0]=4 5852 B18R2.481233 NC(=O)C(F)Sc1cccc2c1c(ccc2)F 62a_100009813875_100010177852 [0,2,0,0,0,0|1,1,0]=4 5853 B18R2.481233 NC(=O)C(F)Sc1cccc2c1c(ccc2)F 62a_100010177852_100009813875 [0,2,0,0,0,0|1,1,0]=4 5854 B18R2.481233 NC(=O)C(F)Sc1cccc2c1c(ccc2)N 62a_100010002837_100009813875 [0,2,0,0,0,0|1,1,0]=4 5855 B18R2.481233 NC(=O)C(F)Sc1cccc2c1c(ccc2)O 62a_100009813875_100010089961 [0,2,0,0,0,0|1,1,0]=4 5856 B18R2.481233 Nc1cccc2c1c(ccc2)SC(F)C(=O)[O-] 62a_100010002837_100020610796 [0,2,0,0,0,0|0,1,1]=4 5857 B18R2.481233 O=C([O-])C(F)Nc1cccc2c1c(ccc2)Br 34a_100010002837_100020610796 [0,2,0,0,0,0|1,0,1]=4 5858 B18R2.481233 O=C([O-])C(F)Nc1cccc2c1c(ccc2)Cl 34a_100009857565_100020610796 [0,2,0,0,0,0|1,0,1]=4 5859 B18R2.481233 O=C([O-])C(F)Nc1cccc2c1c(ccc2)F 34a_100009878580_100020610796 [0,2,0,0,0,0|1,0,1]=4 5860 B18R2.481233 O=C([O-])C(F)Oc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100020610796 [0,2,0,0,0,0|1,0,1]=4 5861 B18R2.481233 O=C([O-])C(F)Oc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100020610796 [0,2,0,0,0,0|1,0,1]=4 5862 B18R2.481233 O=C([O-])C(F)Oc1cccc2c1c(=O)cco2 34a_100000040341_100020610796 [0,2,0,0,0,0|1,0,1]=4 5863 B18R2.481233 O=C([O-])C(F)Oc1cccc2c1c(ccc2)Br 34a_100010089961_100020610796 [0,2,0,0,0,0|0,0,1]=3 5864 B18R2.481233 O=C([O-])C(F)Oc1ccnc2c1c(ccc2)Br 34a_100010187735_100020610796 [0,2,0,0,0,0|1,0,1]=4 5865 B18R2.481233 O=C([O-])C(F)Oc1nccc2c1c(ccc2)Br 34a_100010162479_100020610796 [0,2,0,0,0,0|1,0,1]=4 5866 B18R2.481233 O=C([O-])C(F)Oc1nccc2c1c(ccc2)Cl 34a_200010297299_100020610796 [0,2,0,0,0,0|1,0,1]=4 5867 B18R2.481233 O=C([O-])C(F)Sc1cccc2c1c(ccc2)Br 62a_100010243825_100020610796 [0,2,0,0,0,0|0,1,1]=4 5868 B18R2.481233 O=C([O-])C(F)Sc1cccc2c1c(ccc2)Br 62a_100020610796_100010243825 [0,2,0,0,0,0|0,1,1]=4 5869 B18R2.481233 O=C([O-])C(F)Sc1cccc2c1c(ccc2)F 62a_100010177852_100020610796 [0,2,0,0,0,0|0,1,1]=4 5870 B18R2.481233 O=C([O-])C(F)Sc1cccc2c1c(ccc2)F 62a_100020610796_100010177852 [0,2,0,0,0,0|0,1,1]=4 5871 B18R2.481233 O=C([O-])C(F)Sc1cccc2c1c(ccc2)O 62a_100020610796_100010089961 [0,2,0,0,0,0|0,1,1]=4 5872 B18R2.696918 C=C(C#N)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000694840 [0,2,0,0,0,0|2,0,0]=4 5873 B18R2.696918 C=CC(O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000730141 [0,2,0,0,0,0|1,0,1]=4 5874 B18R2.696918 C=CC(O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000730141 [0,2,0,0,0,0|1,0,1]=4 5875 B18R2.696918 CCC(=O)CNc1cccc2c1c(ccc2)C 7a_100009841044_100000747405 [0,2,0,0,0,0|2,0,0]=4 5876 B18R2.696918 CCC(=O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000747405 [0,2,0,0,0,0|2,0,0]=4 5877 B18R2.696918 CCC(=O)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000747405 [0,2,0,0,0,0|2,0,0]=4 5878 B18R2.696918 CCC(=O)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000747405 [0,2,0,0,0,0|2,0,0]=4 5879 B18R2.696918 CCC(=O)COc1cccc2c1c(=O)cco2 7a_100000040341_100000747405 [0,2,0,0,0,0|2,0,0]=4 5880 B18R2.696918 CCC(=O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000747405 [0,2,0,0,0,0|1,0,0]=3 5881 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)Br 62a_100000747405_100010243825 [0,2,0,0,0,0|1,1,0]=4 5882 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100000747405 [0,2,0,0,0,0|1,1,0]=4 5883 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)C 62a_100000747405_100009995290 [0,2,0,0,0,0|1,1,0]=4 5884 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)Cl 1458a_100000260843_100000210202 [0,2,0,0,0,0|1,1,0]=4 5885 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)F 62a_100000747405_100010177852 [0,2,0,0,0,0|1,1,0]=4 5886 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000747405 [0,2,0,0,0,0|1,1,0]=4 5887 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000747405 [0,2,0,0,0,0|1,1,0]=4 5888 B18R2.696918 CCC(=O)CSc1cccc2c1c(ccc2)O 62a_100000747405_100010089961 [0,2,0,0,0,0|1,1,0]=4 5889 B18R2.696918 CCC(O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100011218378 [0,2,0,0,0,0|1,0,1]=4 5890 B18R2.696918 CCC(O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100011218378 [0,2,0,0,0,0|1,0,1]=4 5891 B18R2.696918 CNC(=O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000183359 [0,2,0,0,0,0|2,0,0]=4 5892 B18R2.696918 CNC(=O)CNc1cccc2c1c(ccc2)C 34a_100009841044_100000183359 [0,2,0,0,0,0|2,0,0]=4 5893 B18R2.696918 CNC(=O)CNc1cccc2c1c(ccc2)C 7a_100009841044_100000183359 [0,2,0,0,0,0|2,0,0]=4 5894 B18R2.696918 CNC(=O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000183359 [0,2,0,0,0,0|2,0,0]=4 5895 B18R2.696918 CNC(=O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100000183359 [0,2,0,0,0,0|2,0,0]=4 5896 B18R2.696918 CNC(=O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000183359 [0,2,0,0,0,0|2,0,0]=4 5897 B18R2.696918 CNC(=O)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100000183359 [0,2,0,0,0,0|2,0,0]=4 5898 B18R2.696918 CNC(=O)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000183359 [0,2,0,0,0,0|2,0,0]=4 5899 B18R2.696918 CNC(=O)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100000183359 [0,2,0,0,0,0|2,0,0]=4 5900 B18R2.696918 CNC(=O)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000183359 [0,2,0,0,0,0|2,0,0]=4 5901 B18R2.696918 CNC(=O)COc1cccc2c1c(=O)cco2 34a_100000040341_100000183359 [0,2,0,0,0,0|2,0,0]=4 5902 B18R2.696918 CNC(=O)COc1cccc2c1c(=O)cco2 7a_100000040341_100000183359 [0,2,0,0,0,0|2,0,0]=4 5903 B18R2.696918 CNC(=O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000183359 [0,2,0,0,0,0|1,0,0]=3 5904 B18R2.696918 CNC(=O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000183359 [0,2,0,0,0,0|1,0,0]=3 5905 B18R2.696918 CNC(=O)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100000183359 [0,2,0,0,0,0|2,0,0]=4 5906 B18R2.696918 CNC(=O)COc1ccnc2c1c(ccc2)C 34a_100000087318_100000183359 [0,2,0,0,0,0|2,0,0]=4 5907 B18R2.696918 CNC(=O)COc1nccc2c1c(ccc2)Br 34a_100010162479_100000183359 [0,2,0,0,0,0|2,0,0]=4 5908 B18R2.696918 CNC(=O)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100000183359 [0,2,0,0,0,0|2,0,0]=4 5909 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)Br 62a_100000183359_100010243825 [0,2,0,0,0,0|1,1,0]=4 5910 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100000183359 [0,2,0,0,0,0|1,1,0]=4 5911 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)C 62a_100000183359_100009995290 [0,2,0,0,0,0|1,1,0]=4 5912 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)Cl 11a_106832991635_100000260843 [0,2,0,0,0,0|1,1,0]=4 5913 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)Cl 1626a_100102657272_100000260843 [0,2,0,0,0,0|1,1,0]=4 5914 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)Cl 240690a_100102657272_100000260843 [0,2,0,0,0,0|1,1,0]=4 5915 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)Cl 527a_100102657272_100000260843 [0,2,0,0,0,0|1,1,0]=4 5916 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)F 62a_100000183359_100010177852 [0,2,0,0,0,0|1,1,0]=4 5917 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000183359 [0,2,0,0,0,0|1,1,0]=4 5918 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000183359 [0,2,0,0,0,0|1,1,0]=4 5919 B18R2.696918 CNC(=O)CSc1cccc2c1c(ccc2)O 62a_100000183359_100010089961 [0,2,0,0,0,0|1,1,0]=4 5920 B18R2.696918 COC(=O)CNc1cccc2c1[n+](ccc2)[O-] 34a_200000070183_100000747449 [0,2,0,0,0,0|2,0,0]=4 5921 B18R2.696918 COC(=O)CNc1cccc2c1c(ccc2)Br 34a_100010002837_100000747449 [0,2,0,0,0,0|1,0,0]=3 5922 B18R2.696918 COC(=O)CNc1cccc2c1c(ccc2)C 34a_100009841044_100000747449 [0,2,0,0,0,0|1,0,0]=3 5923 B18R2.696918 COC(=O)CNc1cccc2c1c(ccc2)C 7a_100009841044_100000747449 [0,2,0,0,0,0|1,0,0]=3 5924 B18R2.696918 COC(=O)CNc1cccc2c1c(ccc2)Cl 34a_100009857565_100000747449 [0,2,0,0,0,0|1,0,0]=3 5925 B18R2.696918 COC(=O)CNc1cccc2c1c(ccc2)F 34a_100009878580_100000747449 [0,2,0,0,0,0|1,0,0]=3 5926 B18R2.696918 COC(=O)CNc1cccc2c1c(ccc2)F 7a_100009878580_100000747449 [0,2,0,0,0,0|1,0,0]=3 5927 B18R2.696918 COC(=O)CNc1cccc2c1c(ccn2)Cl 34a_100010263589_100000747449 [0,2,0,0,0,0|2,0,0]=4 5928 B18R2.696918 COC(=O)CNc1cccc2c1c(cnc2)Br 34a_100000720362_100000747449 [0,2,0,0,0,0|2,0,0]=4 5929 B18R2.696918 COC(=O)CNc1cccc2c1c(cnc2)C 34a_100009845824_100000747449 [0,2,0,0,0,0|2,0,0]=4 5930 B18R2.696918 COC(=O)COc1cccc2c1[n+](ccc2)[O-] 34a_100000039631_100000747449 [0,2,0,0,0,0|1,0,0]=3 5931 B18R2.696918 COC(=O)COc1cccc2c1[n+](ccc2)[O-] 7a_100000039631_100000747449 [0,2,0,0,0,0|1,0,0]=3 5932 B18R2.696918 COC(=O)COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100000747449 [0,2,0,0,0,0|1,0,0]=3 5933 B18R2.696918 COC(=O)COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000747449 [0,2,0,0,0,0|1,0,0]=3 5934 B18R2.696918 COC(=O)COc1cccc2c1c(=O)cco2 34a_100000040341_100000747449 [0,2,0,0,0,0|1,0,0]=3 5935 B18R2.696918 COC(=O)COc1cccc2c1c(=O)cco2 7a_100000040341_100000747449 [0,2,0,0,0,0|1,0,0]=3 5936 B18R2.696918 COC(=O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000747449 [0,2,0,0,0,0|0,0,0]=2 5937 B18R2.696918 COC(=O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000747449 [0,2,0,0,0,0|0,0,0]=2 5938 B18R2.696918 COC(=O)COc1ccnc2c1c(ccc2)Br 34a_100010187735_100000747449 [0,2,0,0,0,0|1,0,0]=3 5939 B18R2.696918 COC(=O)COc1ccnc2c1c(ccc2)C 34a_100000087318_100000747449 [0,2,0,0,0,0|1,0,0]=3 5940 B18R2.696918 COC(=O)COc1nccc2c1c(ccc2)Br 34a_100010162479_100000747449 [0,2,0,0,0,0|1,0,0]=3 5941 B18R2.696918 COC(=O)COc1nccc2c1c(ccc2)Cl 34a_200010297299_100000747449 [0,2,0,0,0,0|1,0,0]=3 5942 B18R2.696918 COC(=O)COc1ncnc2c1c(ccc2)F 34a_100000743385_100000747449 [0,2,0,0,0,0|2,0,0]=4 5943 B18R2.696918 COC(=O)CSc1cccc2c1c(ccc2)Br 62a_100000747449_100010243825 [0,2,0,0,0,0|0,1,0]=3 5944 B18R2.696918 COC(=O)CSc1cccc2c1c(ccc2)Br 62a_100010243825_100000747449 [0,2,0,0,0,0|0,1,0]=3 5945 B18R2.696918 COC(=O)CSc1cccc2c1c(ccc2)C 62a_100000747449_100009995290 [0,2,0,0,0,0|0,1,0]=3 5946 B18R2.696918 COC(=O)CSc1cccc2c1c(ccc2)F 62a_100000747449_100010177852 [0,2,0,0,0,0|0,1,0]=3 5947 B18R2.696918 COC(=O)CSc1cccc2c1c(ccc2)F 62a_100010177852_100000747449 [0,2,0,0,0,0|0,1,0]=3 5948 B18R2.696918 COC(=O)CSc1cccc2c1c(ccc2)N 62a_100010002837_100000747449 [0,2,0,0,0,0|0,1,0]=3 5949 B18R2.696918 COC(=O)CSc1cccc2c1c(ccc2)O 62a_100000747449_100010089961 [0,2,0,0,0,0|0,1,0]=3 5950 B18R2.696918 COC(=O)CSc1cccc2c1c(cnc2)C 62a_100000747449_100009817140 [0,2,0,0,0,0|1,1,0]=4 5951 B18R2.696918 COC(=O)CSc1cccc2c1c(ncc2)N 62a_100010291105_100000747449 [0,2,0,0,0,0|1,1,0]=4 5952 B18R2.696918 COC(=O)CSc1cccc2c1c(ncc2)O 62a_100000747449_100010162479 [0,2,0,0,0,0|1,1,0]=4 5953 B18R2.696918 COC(=O)CSc1cncc2c1c(ccc2)N 62a_100000720362_100000747449 [0,2,0,0,0,0|1,1,0]=4 5954 B18R2.696918 COC(=O)CSc1cncc2c1c(ccc2)N 62a_100000747449_100000720362 [0,2,0,0,0,0|1,1,0]=4 5955 B18R2.696918 C[C@@H](CO)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000059175 [0,2,0,0,0,0|1,0,1]=4 5956 B18R2.696918 C[C@@H](CO)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000059175 [0,2,0,0,0,0|1,0,1]=4 5957 B18R2.696918 O=C(CF)CSc1cccc2c1c(ccc2)Cl 1458a_100000260843_100015361967 [0,2,0,0,0,0|1,1,0]=4 5958 B18R2.696918 OCC(O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100011219619 [0,2,0,0,0,0|0,0,2]=4 5959 B18R2.696918 OCC(O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100011219619 [0,2,0,0,0,0|0,0,2]=4 5960 B18R2.696918 OC[C@H](O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100009815848 [0,2,0,0,0,0|0,0,2]=4 5961 B18R2.696918 OC[C@H](O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100009815848 [0,2,0,0,0,0|0,0,2]=4 5962 B18R2.696918 O[C@@H](CF)COc1cccc2c1c(ccc2)Br 34a_100010089961_100015614560 [0,2,0,0,0,0|1,0,1]=4 5963 B18R2.696918 O[C@@H](CF)COc1cccc2c1c(ccc2)Br 7a_100010089961_100015614560 [0,2,0,0,0,0|1,0,1]=4 5964 B18R2.773573 CCc1cccc2c1c(ccc2)SCC(=O)N 62a_100000747473_202517441601 [0,2,0,0,0,0|1,1,0]=4 5965 B18R2.773573 CCc1cccc2c1c(ccc2)SCC(=O)[O-] 62a_100020667443_202517441601 [0,2,0,0,0,0|0,1,1]=4 5966 B18R2.773573 N#Cc1cccc2c1c(ccc2)SCC(=O)N 62a_100000747473_200010152326 [0,2,0,0,0,0|1,1,0]=4 5967 B18R2.773573 N#Cc1cccc2c1c(ccc2)SCC(=O)[O-] 62a_100020667443_200010152326 [0,2,0,0,0,0|0,1,1]=4 5968 B18R2.773573 NC(=O)CSc1cccc2c1c(ccc2)CO 62a_100000747473_200009814114 [0,2,0,0,0,0|1,1,0]=4 5969 B18R2.773573 NC(=O)CSc1cccc2c1c(ccc2)CO 62a_200009814114_100000747473 [0,2,0,0,0,0|1,1,0]=4 5970 B18R2.773573 O=C([O-])CSc1cccc2c1c(ccc2)CO 62a_100020667443_200009814114 [0,2,0,0,0,0|0,1,1]=4 5971 B18R2.773573 O=C([O-])CSc1cccc2c1c(ccc2)CO 62a_200009814114_100020667443 [0,2,0,0,0,0|0,1,1]=4 5972 B18R2.1213752 CC(C)(O)COc1cccc2c1c(ccc2)Br 34a_100010089961_100000764493 [0,2,0,0,0,0|1,0,1]=4 5973 B18R2.1213752 CC(C)(O)COc1cccc2c1c(ccc2)Br 7a_100010089961_100000764493 [0,2,0,0,0,0|1,0,1]=4 5974 B18R2.1213752 O=S(=O)([O-])COc1cccc2c1c(ccc2)Br 34a_100010089961_100009817235 [0,2,0,0,0,0|1,0,1]=4 5975 B18R2.462919 CC(C)(CO)COc1cccc2c1cccc2 34a_100000210388_100009813988 [0,2,0,0,0,0|1,0,1]=4 5976 B18R2.462919 CC(C)(CO)COc1cccc2c1cccc2 7a_100000210388_100009813988 [0,2,0,0,0,0|1,0,1]=4 5977 B18R2.462919 COC(C)(C)COc1cccc2c1cccc2 34a_100000210388_100000701081 [0,2,0,0,0,0|1,0,1]=4 5978 B18R2.541305 COC(COc1cccc2c1cccc2)OC 34a_100000210388_100000211822 [0,2,0,0,0,0|0,0,2]=4 5979 B18R2.541305 COC(COc1cccc2c1cccc2)OC 7a_100000210388_100000751394 [0,2,0,0,0,0|0,0,2]=4 5980 B18R2.615197 C#CC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000211873_100000211450 [0,2,0,0,0,0|2,0,0]=4 5981 B18R2.615197 C=CC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000185746_100000211450 [0,2,0,0,0,0|2,0,0]=4 5982 B18R2.615197 CCC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000210414_100000211450 [0,2,0,0,0,0|2,0,0]=4 5983 B18R2.615197 CCC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100000747405 [0,2,0,0,0,0|2,0,0]=4 5984 B18R2.615197 CCC(=O)CN(C)c1cccc2c1cccc2 269982a_100000220138_100000747405 [0,2,0,0,0,0|2,0,0]=4 5985 B18R2.615197 CNC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100000183359 [0,2,0,0,0,0|2,0,0]=4 5986 B18R2.615197 CNC(=O)CN(C)c1cccc2c1cccc2 2230a_100000220138_100000183359 [0,2,0,0,0,0|2,0,0]=4 5987 B18R2.615197 CNC(=O)CN(C)c1cccc2c1cccc2 269982a_100000220138_100000183359 [0,2,0,0,0,0|2,0,0]=4 5988 B18R2.615197 CNC(=O)CN(C)c1cccc2c1cccc2 34a_100000220138_100000183359 [0,2,0,0,0,0|2,0,0]=4 5989 B18R2.615197 COC(=O)CC(=O)c1cccc2c1cccc2 1458a_100000210949_100000747449 [0,2,0,0,0,0|1,0,0]=3 5990 B18R2.615197 COC(=O)CC(=O)c1cccc2c1cccn2 1458a_100000241005_100000747449 [0,2,0,0,0,0|2,0,0]=4 5991 B18R2.615197 COC(=O)CC(=O)c1cccc2c1ccnc2 1458a_100011290933_100000747449 [0,2,0,0,0,0|2,0,0]=4 5992 B18R2.615197 COC(=O)CC(=O)c1cccc2c1cncc2 1458a_100011356482_100000747449 [0,2,0,0,0,0|2,0,0]=4 5993 B18R2.615197 COC(=O)CC(=O)c1cccc2c1nccc2 1458a_100000195423_100000747449 [0,2,0,0,0,0|2,0,0]=4 5994 B18R2.615197 COC(=O)CN(C)c1cccc2c1cccc2 2230a_100000220138_100000747449 [0,2,0,0,0,0|1,0,0]=3 5995 B18R2.615197 COC(=O)CN(C)c1cccc2c1cccc2 269982a_100000220138_100000747449 [0,2,0,0,0,0|1,0,0]=3 5996 B18R2.615197 COC(=O)CN(C)c1cccc2c1cccc2 34a_100000220138_100000747449 [0,2,0,0,0,0|1,0,0]=3 5997 B18R2.615197 COC(=O)CN(C)c1cccc2c1cccn2 27a_100000198492_100011290932 [0,2,0,0,0,0|2,0,0]=4 5998 B18R2.615197 COC(=O)CN(C)c1ccnc2c1cccc2 27a_100000198492_100011215880 [0,2,0,0,0,0|2,0,0]=4 5999 B18R2.615197 COC(=O)CN(C)c1nccc2c1cccc2 27a_100000198492_100011934041 [0,2,0,0,0,0|2,0,0]=4 6000 B18R2.615197 C[C@H](NC(=O)CO)c1cccc2c1cccc2 240690a_100011830313_100000210174 [0,2,0,0,0,0|2,0,0]=4 6001 B18R2.615197 C[C@H](NC(=O)CO)c1cccc2c1cccc2 527a_100011830313_100000210174 [0,2,0,0,0,0|2,0,0]=4 6002 B18R2.615197 O=C(CO)CC(=O)c1cccc2c1cccc2 1458a_100000210174_100000211450 [0,2,0,0,0,0|1,0,0]=3 6003 B18R2.892603 C#CCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100000184674 [0,2,0,0,0,0|2,0,0]=4 6004 B18R2.892603 C#CCC(=O)CCc1cccc2c1cccc2 1458a_100011220946_100011290781 [0,2,0,0,0,0|2,0,0]=4 6005 B18R2.892603 C#CCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000184674 [0,2,0,0,0,0|1,0,0]=3 6006 B18R2.892603 C#CCC(=O)COc1cccc2c1nccc2 1458a_100000182336_100000184674 [0,2,0,0,0,0|2,0,0]=4 6007 B18R2.892603 C=CCC(=O)CCc1cccc2c1cccc2 1458a_100000210193_100011290781 [0,2,0,0,0,0|2,0,0]=4 6008 B18R2.892603 C=CCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100000210623 [0,2,0,0,0,0|2,0,0]=4 6009 B18R2.892603 C=CCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000210623 [0,2,0,0,0,0|1,0,0]=3 6010 B18R2.892603 C=CCC(=O)COc1cccc2c1nccc2 1458a_100000182336_100000210623 [0,2,0,0,0,0|2,0,0]=4 6011 B18R2.892603 C=COC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000036128 [0,2,0,0,0,0|1,0,0]=3 6012 B18R2.892603 C=COC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000036128 [0,2,0,0,0,0|2,0,0]=4 6013 B18R2.892603 C=COC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000036128 [0,2,0,0,0,0|2,0,0]=4 6014 B18R2.892603 C=COC(=O)COc1cccc2c1CC=CC2 34a_100000074931_100000036128 [0,2,0,0,0,0|0,0,2]=4 6015 B18R2.892603 C=COC(=O)COc1cccc2c1cccc2 34a_100000210388_100000036128 [0,2,0,0,0,0|0,0,0]=2 6016 B18R2.892603 C=COC(=O)COc1cccc2c1cccn2 34a_100011197808_100000036128 [0,2,0,0,0,0|1,0,0]=3 6017 B18R2.892603 C=COC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000036128 [0,2,0,0,0,0|1,0,0]=3 6018 B18R2.892603 C=COC(=O)COc1cccc2c1cncc2 34a_103624766955_100000036128 [0,2,0,0,0,0|1,0,0]=3 6019 B18R2.892603 C=COC(=O)COc1cccc2c1nccc2 34a_100000056035_100000036128 [0,2,0,0,0,0|1,0,0]=3 6020 B18R2.892603 C=COC(=O)COc1cccc2c1nccn2 34a_100000077048_100000036128 [0,2,0,0,0,0|2,0,0]=4 6021 B18R2.892603 C=COC(=O)COc1cccc2c1ncnc2 34a_200000077003_100000036128 [0,2,0,0,0,0|2,0,0]=4 6022 B18R2.892603 C=COC(=O)COc1cncc2c1cccc2 34a_100000066178_100000036128 [0,2,0,0,0,0|1,0,0]=3 6023 B18R2.892603 C=COC(=O)COc1nccc2c1cccc2 34a_102531767632_100000036128 [0,2,0,0,0,0|1,0,0]=3 6024 B18R2.892603 C=COC(=O)CSc1cccc2c1cccc2 62a_100000036128_100000210605 [0,2,0,0,0,0|0,1,0]=3 6025 B18R2.892603 C=COC(=O)CSc1cccc2c1cccn2 62a_100000036128_100011290932 [0,2,0,0,0,0|1,1,0]=4 6026 B18R2.892603 C=COC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000036128 [0,2,0,0,0,0|1,1,0]=4 6027 B18R2.892603 C=COC(=O)CSc1cccc2c1ccnc2 62a_100000036128_100000186358 [0,2,0,0,0,0|1,1,0]=4 6028 B18R2.892603 C=COC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000036128 [0,2,0,0,0,0|1,1,0]=4 6029 B18R2.892603 C=COC(=O)CSc1cccc2c1cncc2 62a_100000036128_100000685578 [0,2,0,0,0,0|1,1,0]=4 6030 B18R2.892603 C=COC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000036128 [0,2,0,0,0,0|1,1,0]=4 6031 B18R2.892603 C=COC(=O)CSc1cccc2c1nccc2 62a_100000036128_100011215545 [0,2,0,0,0,0|1,1,0]=4 6032 B18R2.892603 C=COC(=O)CSc1ccnc2c1cccc2 62a_100000036128_100011215880 [0,2,0,0,0,0|1,1,0]=4 6033 B18R2.892603 C=COC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000036128 [0,2,0,0,0,0|1,1,0]=4 6034 B18R2.892603 C=COC(=O)CSc1cncc2c1cccc2 62a_100000036128_100000187577 [0,2,0,0,0,0|1,1,0]=4 6035 B18R2.892603 C=COC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000036128 [0,2,0,0,0,0|1,1,0]=4 6036 B18R2.892603 C=COC(=O)CSc1nccc2c1cccc2 62a_100000036128_100011934041 [0,2,0,0,0,0|1,1,0]=4 6037 B18R2.892603 C=COC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000036128 [0,2,0,0,0,0|1,1,0]=4 6038 B18R2.892603 CC#CC(=O)CCc1cccc2c1cccc2 1458a_100000763181_100011290781 [0,2,0,0,0,0|2,0,0]=4 6039 B18R2.892603 CC=CC(=O)CCc1cccc2c1cccc2 1458a_100000210699_100011290781 [0,2,0,0,0,0|2,0,0]=4 6040 B18R2.892603 CCCC(=O)CCc1cccc2c1cccc2 1458a_100000211992_100011290781 [0,2,0,0,0,0|2,0,0]=4 6041 B18R2.892603 CCCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100000210303 [0,2,0,0,0,0|2,0,0]=4 6042 B18R2.892603 CCCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100000210303 [0,2,0,0,0,0|1,0,0]=3 6043 B18R2.892603 CCCC(=O)COc1cccc2c1cccc2 7a_100000210388_100000747444 [0,2,0,0,0,0|1,0,0]=3 6044 B18R2.892603 CCCC(=O)COc1cccc2c1nccc2 1458a_100000182336_100000210303 [0,2,0,0,0,0|2,0,0]=4 6045 B18R2.892603 CCCC(=O)COc1cncc2c1cccc2 7a_100000066178_100000747444 [0,2,0,0,0,0|2,0,0]=4 6046 B18R2.892603 CCCC(=O)CSc1cccc2c1cccc2 62a_100000747444_100000210605 [0,2,0,0,0,0|1,1,0]=4 6047 B18R2.892603 CCNC(=O)CCc1cccc2c1cccc2 11a_100015525214_100011218451 [0,2,0,0,0,0|2,0,0]=4 6048 B18R2.892603 CCNC(=O)CCc1cccc2c1cccc2 240690a_100015525214_100011218451 [0,2,0,0,0,0|2,0,0]=4 6049 B18R2.892603 CCNC(=O)CCc1cccc2c1cccc2 527a_100015525214_100011218451 [0,2,0,0,0,0|2,0,0]=4 6050 B18R2.892603 CCNC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000183381 [0,2,0,0,0,0|2,0,0]=4 6051 B18R2.892603 CCNC(=O)COc1cccc2c1cccc2 11a_100015525214_100000183701 [0,2,0,0,0,0|1,0,0]=3 6052 B18R2.892603 CCNC(=O)COc1cccc2c1cccc2 240690a_100015525214_100000183701 [0,2,0,0,0,0|1,0,0]=3 6053 B18R2.892603 CCNC(=O)COc1cccc2c1cccc2 34a_100000210388_100000183381 [0,2,0,0,0,0|1,0,0]=3 6054 B18R2.892603 CCNC(=O)COc1cccc2c1cccc2 527a_100015525214_100000183701 [0,2,0,0,0,0|1,0,0]=3 6055 B18R2.892603 CCNC(=O)COc1cccc2c1cccc2 7a_100000210388_100000183381 [0,2,0,0,0,0|1,0,0]=3 6056 B18R2.892603 CCNC(=O)COc1cccc2c1cccn2 34a_100011197808_100000183381 [0,2,0,0,0,0|2,0,0]=4 6057 B18R2.892603 CCNC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000183381 [0,2,0,0,0,0|2,0,0]=4 6058 B18R2.892603 CCNC(=O)COc1cccc2c1cncc2 34a_103624766955_100000183381 [0,2,0,0,0,0|2,0,0]=4 6059 B18R2.892603 CCNC(=O)COc1cccc2c1nccc2 11a_100015525214_100000182336 [0,2,0,0,0,0|2,0,0]=4 6060 B18R2.892603 CCNC(=O)COc1cccc2c1nccc2 240690a_100015525214_100000182336 [0,2,0,0,0,0|2,0,0]=4 6061 B18R2.892603 CCNC(=O)COc1cccc2c1nccc2 34a_100000056035_100000183381 [0,2,0,0,0,0|2,0,0]=4 6062 B18R2.892603 CCNC(=O)COc1cncc2c1cccc2 34a_100000066178_100000183381 [0,2,0,0,0,0|2,0,0]=4 6063 B18R2.892603 CCNC(=O)COc1cncc2c1cccc2 7a_100000066178_100000183381 [0,2,0,0,0,0|2,0,0]=4 6064 B18R2.892603 CCNC(=O)COc1nccc2c1cccc2 34a_102531767632_100000183381 [0,2,0,0,0,0|2,0,0]=4 6065 B18R2.892603 CCNC(=O)CSc1cccc2c1cccc2 62a_100000183381_100000210605 [0,2,0,0,0,0|1,1,0]=4 6066 B18R2.892603 CCOC(=O)C=Cc1cccc2c1cccc2 271570a_100010199719_100000210605 [0,2,0,0,0,0|1,0,1]=4 6067 B18R2.892603 CCOC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000188475 [0,2,0,0,0,0|1,0,0]=3 6068 B18R2.892603 CCOC(=O)CNc1cccc2c1cccn2 34a_100000183906_100000188475 [0,2,0,0,0,0|2,0,0]=4 6069 B18R2.892603 CCOC(=O)CNc1cccc2c1nccc2 34a_100000181377_100000188475 [0,2,0,0,0,0|2,0,0]=4 6070 B18R2.892603 CCOC(=O)COc1cccc2c1CC=CC2 34a_100000074931_100000188475 [0,2,0,0,0,0|0,0,2]=4 6071 B18R2.892603 CCOC(=O)COc1cccc2c1CC=CC2 7a_100000074931_100000188475 [0,2,0,0,0,0|0,0,2]=4 6072 B18R2.892603 CCOC(=O)COc1cccc2c1cccc2 34a_100000210388_100000188475 [0,2,0,0,0,0|0,0,0]=2 6073 B18R2.892603 CCOC(=O)COc1cccc2c1cccc2 7a_100000210388_100000188475 [0,2,0,0,0,0|0,0,0]=2 6074 B18R2.892603 CCOC(=O)COc1cccc2c1cccn2 34a_100011197808_100000188475 [0,2,0,0,0,0|1,0,0]=3 6075 B18R2.892603 CCOC(=O)COc1cccc2c1ccnc2 34a_100011218533_100000188475 [0,2,0,0,0,0|1,0,0]=3 6076 B18R2.892603 CCOC(=O)COc1cccc2c1cncc2 34a_103624766955_100000188475 [0,2,0,0,0,0|1,0,0]=3 6077 B18R2.892603 CCOC(=O)COc1cccc2c1nccc2 34a_100000056035_100000188475 [0,2,0,0,0,0|1,0,0]=3 6078 B18R2.892603 CCOC(=O)COc1cccc2c1nccn2 34a_100000077048_100000188475 [0,2,0,0,0,0|2,0,0]=4 6079 B18R2.892603 CCOC(=O)COc1cccc2c1ncnc2 34a_200000077003_100000188475 [0,2,0,0,0,0|2,0,0]=4 6080 B18R2.892603 CCOC(=O)COc1cncc2c1cccc2 34a_100000066178_100000188475 [0,2,0,0,0,0|1,0,0]=3 6081 B18R2.892603 CCOC(=O)COc1cncc2c1cccc2 7a_100000066178_100000188475 [0,2,0,0,0,0|1,0,0]=3 6082 B18R2.892603 CCOC(=O)COc1nccc2c1cccc2 34a_102531767632_100000188475 [0,2,0,0,0,0|1,0,0]=3 6083 B18R2.892603 CCOC(=O)CSc1cccc2c1cccc2 62a_100000188475_100000210605 [0,2,0,0,0,0|0,1,0]=3 6084 B18R2.892603 CCOC(=O)CSc1cccc2c1cccn2 62a_100000188475_100011290932 [0,2,0,0,0,0|1,1,0]=4 6085 B18R2.892603 CCOC(=O)CSc1cccc2c1cccn2 62a_100011290932_100000188475 [0,2,0,0,0,0|1,1,0]=4 6086 B18R2.892603 CCOC(=O)CSc1cccc2c1ccnc2 62a_100000186358_100000188475 [0,2,0,0,0,0|1,1,0]=4 6087 B18R2.892603 CCOC(=O)CSc1cccc2c1ccnc2 62a_100000188475_100000186358 [0,2,0,0,0,0|1,1,0]=4 6088 B18R2.892603 CCOC(=O)CSc1cccc2c1cncc2 62a_100000188475_100000685578 [0,2,0,0,0,0|1,1,0]=4 6089 B18R2.892603 CCOC(=O)CSc1cccc2c1cncc2 62a_100000685578_100000188475 [0,2,0,0,0,0|1,1,0]=4 6090 B18R2.892603 CCOC(=O)CSc1cccc2c1nccc2 62a_100000188475_100011215545 [0,2,0,0,0,0|1,1,0]=4 6091 B18R2.892603 CCOC(=O)CSc1ccnc2c1cccc2 62a_100000188475_100011215880 [0,2,0,0,0,0|1,1,0]=4 6092 B18R2.892603 CCOC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000188475 [0,2,0,0,0,0|1,1,0]=4 6093 B18R2.892603 CCOC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000188475 [0,2,0,0,0,0|1,1,0]=4 6094 B18R2.892603 CCOC(=O)CSc1cncc2c1cccc2 62a_100000188475_100000187577 [0,2,0,0,0,0|1,1,0]=4 6095 B18R2.892603 CCOC(=O)CSc1nccc2c1cccc2 62a_100000188475_100011934041 [0,2,0,0,0,0|1,1,0]=4 6096 B18R2.892603 CCOC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000188475 [0,2,0,0,0,0|1,1,0]=4 6097 B18R2.892603 CNNC(=O)CCc1cccc2c1cccc2 22a_100016993582_100011218451 [0,2,0,0,0,0|2,0,0]=4 6098 B18R2.892603 CNNC(=O)COc1cccc2c1cccc2 22a_100016993582_100000183701 [0,2,0,0,0,0|1,0,0]=3 6099 B18R2.892603 CNNC(=O)COc1cccc2c1nccc2 22a_100016993582_100000182336 [0,2,0,0,0,0|2,0,0]=4 6100 B18R2.892603 COCC(=O)CCc1cccc2c1cccc2 1458a_100000210968_100011290781 [0,2,0,0,0,0|1,0,0]=3 6101 B18R2.892603 COCC(=O)NCc1cccc2c1cccc2 11a_100000753325_100000210968 [0,2,0,0,0,0|2,0,0]=4 6102 B18R2.892603 COCC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100000210968 [0,2,0,0,0,0|2,0,0]=4 6103 B18R2.892603 COCC(=O)NCc1cccc2c1cccc2 240690a_100000753325_100000210968 [0,2,0,0,0,0|2,0,0]=4 6104 B18R2.892603 COCC(=O)NCc1cccc2c1cccc2 527a_100000753325_100000210968 [0,2,0,0,0,0|2,0,0]=4 6105 B18R2.892603 COCC(=O)NNc1cccc2c1cccc2 22a_100000006939_100000210968 [0,2,0,0,0,0|2,0,0]=4 6106 B18R2.892603 COCC(O)COc1cccc2c1cccc2 34a_100000210388_100011215053 [0,2,0,0,0,0|0,0,2]=4 6107 B18R2.892603 COCC(O)COc1cccc2c1cccc2 7a_100000210388_100011215053 [0,2,0,0,0,0|0,0,2]=4 6108 B18R2.892603 CSCC(=O)CCc1cccc2c1cccc2 1458a_100000184570_100011290781 [0,2,0,0,0,0|1,1,0]=4 6109 B18R2.892603 N#CCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100011214920 [0,2,0,0,0,0|2,0,0]=4 6110 B18R2.892603 N#CCC(=O)CCc1cccc2c1cccc2 1458a_100051588842_100011290781 [0,2,0,0,0,0|2,0,0]=4 6111 B18R2.892603 N#CCC(=O)COc1cccc2c1cccc2 1458a_100000183701_100011214920 [0,2,0,0,0,0|1,0,0]=3 6112 B18R2.892603 N#CCC(=O)COc1cccc2c1nccc2 1458a_100000182336_100011214920 [0,2,0,0,0,0|2,0,0]=4 6113 B18R2.892603 N#CC[C@H](O)COc1cccc2c1cccc2 7a_100000210388_100000001066 [0,2,0,0,0,0|1,0,1]=4 6114 B18R2.892603 O=C(C=CBr)CCc1cccc2c1cccc2 1458a_100016273825_100011290781 [0,2,0,0,0,0|2,0,0]=4 6115 B18R2.892603 O=C(C=CCl)CCc1cccc2c1cccc2 1458a_200016279998_100011290781 [0,2,0,0,0,0|2,0,0]=4 6116 B18R2.892603 O=C(C=CI)CCc1cccc2c1cccc2 1458a_100016256311_100011290781 [0,2,0,0,0,0|2,0,0]=4 6117 B18R2.892603 O=C(C=Cc1cccc2c1cccc2)CCO 1458a_100000735324_100000211926 [0,2,0,0,0,0|1,0,1]=4 6118 B18R2.892603 O=C(CCF)CCc1cccc2c1cccc2 1458a_100011218451_100011217306 [0,2,0,0,0,0|2,0,0]=4 6119 B18R2.892603 O=C(CCF)COc1cccc2c1cccc2 1458a_100000183701_100011217306 [0,2,0,0,0,0|1,0,0]=3 6120 B18R2.892603 O=C(CCF)COc1cccc2c1nccc2 1458a_100000182336_100011217306 [0,2,0,0,0,0|2,0,0]=4 6121 B18R2.892603 O=C(CCO)CCc1cccc2c1cccc2 1458a_100011216618_100011290781 [0,2,0,0,0,0|1,0,0]=3 6122 B18R2.892603 O=C(CCO)CCc1cccc2c1cccc2 1458a_100011218451_100000211926 [0,2,0,0,0,0|1,0,0]=3 6123 B18R2.892603 O=C(CCO)COc1cccc2c1cccc2 1458a_100000183701_100000211926 [0,2,0,0,0,0|0,0,0]=2 6124 B18R2.892603 O=C(CCO)COc1cccc2c1nccc2 1458a_100000182336_100000211926 [0,2,0,0,0,0|1,0,0]=3 6125 B18R2.892603 O=C(CCO)COc1ncnc2c1cccc2 1458a_100000216300_100000211926 [0,2,0,0,0,0|2,0,0]=4 6126 B18R2.892603 O=C(CCO)NCc1cccc2c1cccc2 240690a_100000753325_100011216618 [0,2,0,0,0,0|2,0,0]=4 6127 B18R2.892603 O=C(CCO)NNc1cccc2c1cccc2 22a_100000006939_100011216618 [0,2,0,0,0,0|2,0,0]=4 6128 B18R2.892603 O=C(CNc1cccc2c1cccc2)NCO 34a_100000185869_100000185155 [0,2,0,0,0,0|1,0,0]=3 6129 B18R2.892603 O=C(CNc1cccc2c1cccn2)NCO 34a_100000183906_100000185155 [0,2,0,0,0,0|2,0,0]=4 6130 B18R2.892603 O=C(CNc1cccc2c1nccc2)NCO 34a_100000181377_100000185155 [0,2,0,0,0,0|2,0,0]=4 6131 B18R2.892603 O=C(COc1cccc2c1CC=CC2)NCO 34a_100000074931_100000185155 [0,2,0,0,0,0|0,0,2]=4 6132 B18R2.892603 O=C(COc1cccc2c1CC=CC2)NCO 7a_100000074931_100000185155 [0,2,0,0,0,0|0,0,2]=4 6133 B18R2.892603 O=C(COc1cccc2c1cccc2)NCO 34a_100000210388_100000185155 [0,2,0,0,0,0|0,0,0]=2 6134 B18R2.892603 O=C(COc1cccc2c1cccc2)NCO 7a_100000210388_100000185155 [0,2,0,0,0,0|0,0,0]=2 6135 B18R2.892603 O=C(COc1cccc2c1cccn2)NCO 34a_100011197808_100000185155 [0,2,0,0,0,0|1,0,0]=3 6136 B18R2.892603 O=C(COc1cccc2c1ccnc2)NCO 34a_100011218533_100000185155 [0,2,0,0,0,0|1,0,0]=3 6137 B18R2.892603 O=C(COc1cccc2c1cncc2)NCO 34a_103624766955_100000185155 [0,2,0,0,0,0|1,0,0]=3 6138 B18R2.892603 O=C(COc1cccc2c1nccc2)NCO 34a_100000056035_100000185155 [0,2,0,0,0,0|1,0,0]=3 6139 B18R2.892603 O=C(COc1cccc2c1nccn2)NCO 34a_100000077048_100000185155 [0,2,0,0,0,0|2,0,0]=4 6140 B18R2.892603 O=C(COc1cccc2c1ncnc2)NCO 34a_200000077003_100000185155 [0,2,0,0,0,0|2,0,0]=4 6141 B18R2.892603 O=C(COc1cncc2c1cccc2)NCO 34a_100000066178_100000185155 [0,2,0,0,0,0|1,0,0]=3 6142 B18R2.892603 O=C(COc1cncc2c1cccc2)NCO 7a_100000066178_100000185155 [0,2,0,0,0,0|1,0,0]=3 6143 B18R2.892603 O=C(COc1nccc2c1cccc2)NCO 34a_102531767632_100000185155 [0,2,0,0,0,0|1,0,0]=3 6144 B18R2.892603 O=C(CSc1cccc2c1cccc2)NCO 62a_100000185155_100000210605 [0,2,0,0,0,0|0,1,0]=3 6145 B18R2.892603 O=C(CSc1cccc2c1cccn2)NCO 62a_100000185155_100011290932 [0,2,0,0,0,0|1,1,0]=4 6146 B18R2.892603 O=C(CSc1cccc2c1cccn2)NCO 62a_100011290932_100000185155 [0,2,0,0,0,0|1,1,0]=4 6147 B18R2.892603 O=C(CSc1cccc2c1ccnc2)NCO 62a_100000185155_100000186358 [0,2,0,0,0,0|1,1,0]=4 6148 B18R2.892603 O=C(CSc1cccc2c1ccnc2)NCO 62a_100000186358_100000185155 [0,2,0,0,0,0|1,1,0]=4 6149 B18R2.892603 O=C(CSc1cccc2c1cncc2)NCO 62a_100000185155_100000685578 [0,2,0,0,0,0|1,1,0]=4 6150 B18R2.892603 O=C(CSc1cccc2c1cncc2)NCO 62a_100000685578_100000185155 [0,2,0,0,0,0|1,1,0]=4 6151 B18R2.892603 O=C(CSc1cccc2c1nccc2)NCO 62a_100000185155_100011215545 [0,2,0,0,0,0|1,1,0]=4 6152 B18R2.892603 O=C(CSc1ccnc2c1cccc2)NCO 62a_100000185155_100011215880 [0,2,0,0,0,0|1,1,0]=4 6153 B18R2.892603 O=C(CSc1ccnc2c1cccc2)NCO 62a_100011458314_100000185155 [0,2,0,0,0,0|1,1,0]=4 6154 B18R2.892603 O=C(CSc1cncc2c1cccc2)NCO 62a_100000185155_100000187577 [0,2,0,0,0,0|1,1,0]=4 6155 B18R2.892603 O=C(CSc1cncc2c1cccc2)NCO 62a_100000187577_100000185155 [0,2,0,0,0,0|1,1,0]=4 6156 B18R2.892603 O=C(CSc1nccc2c1cccc2)NCO 62a_100000185155_100011934041 [0,2,0,0,0,0|1,1,0]=4 6157 B18R2.892603 O=C(CSc1nccc2c1cccc2)NCO 62a_100011934041_100000185155 [0,2,0,0,0,0|1,1,0]=4 6158 B18R2.904449 CC(Oc1cccc2c1cccc2)C(=O)CF 1458a_100000216494_100015361967 [0,2,0,0,0,0|1,0,0]=3 6159 B18R2.904449 CCC(=O)C(C)Oc1cccc2c1cccc2 1458a_100000216494_100000210202 [0,2,0,0,0,0|1,0,0]=3 6160 B18R2.904449 CCC(=O)C(C)Oc1cccc2c1cccc2 7a_100000210388_100000742827 [0,2,0,0,0,0|1,0,0]=3 6161 B18R2.904449 CCC(=O)C(C)Oc1cncc2c1cccc2 7a_100000066178_100000742827 [0,2,0,0,0,0|2,0,0]=4 6162 B18R2.904449 CCC(=O)C(C)Sc1cccc2c1cccc2 62a_100000742827_100000210605 [0,2,0,0,0,0|1,1,0]=4 6163 B18R2.904449 CN(Cc1cccc2c1cccc2)C(=O)CO 240690a_100000741213_100000210174 [0,2,0,0,0,0|2,0,0]=4 6164 B18R2.904449 CN(Cc1cccc2c1cccc2)C(=O)CO 527a_100000741213_100000210174 [0,2,0,0,0,0|2,0,0]=4 6165 B18R2.904449 CNC(=O)C(C)Nc1cccc2c1cccc2 34a_100000185869_100000731044 [0,2,0,0,0,0|2,0,0]=4 6166 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccc2 11a_106832991635_100000216494 [0,2,0,0,0,0|1,0,0]=3 6167 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccc2 1626a_100102657272_100000216494 [0,2,0,0,0,0|1,0,0]=3 6168 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccc2 240690a_100102657272_100000216494 [0,2,0,0,0,0|1,0,0]=3 6169 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccc2 34a_100000210388_100000731044 [0,2,0,0,0,0|1,0,0]=3 6170 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccc2 527a_100102657272_100000216494 [0,2,0,0,0,0|1,0,0]=3 6171 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccc2 7a_100000210388_100000209862 [0,2,0,0,0,0|1,0,0]=3 6172 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cccn2 34a_100011197808_100000731044 [0,2,0,0,0,0|2,0,0]=4 6173 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1ccnc2 34a_100011218533_100000731044 [0,2,0,0,0,0|2,0,0]=4 6174 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1cncc2 34a_103624766955_100000731044 [0,2,0,0,0,0|2,0,0]=4 6175 B18R2.904449 CNC(=O)C(C)Oc1cccc2c1nccc2 34a_100000056035_100000731044 [0,2,0,0,0,0|2,0,0]=4 6176 B18R2.904449 CNC(=O)C(C)Oc1cncc2c1cccc2 34a_100000066178_100000731044 [0,2,0,0,0,0|2,0,0]=4 6177 B18R2.904449 CNC(=O)C(C)Oc1cncc2c1cccc2 7a_100000066178_100000209862 [0,2,0,0,0,0|2,0,0]=4 6178 B18R2.904449 CNC(=O)C(C)Oc1nccc2c1cccc2 34a_102531767632_100000731044 [0,2,0,0,0,0|2,0,0]=4 6179 B18R2.904449 CNC(=O)C(C)Sc1cccc2c1cccc2 62a_100000209862_100000210605 [0,2,0,0,0,0|1,1,0]=4 6180 B18R2.904449 CNC(=O)C(F)Nc1cccc2c1cccc2 34a_100000185869_100009813575 [0,2,0,0,0,0|2,0,0]=4 6181 B18R2.904449 CNC(=O)C(F)Oc1cccc2c1cccc2 34a_100000210388_100009813575 [0,2,0,0,0,0|1,0,0]=3 6182 B18R2.904449 CNC(=O)C(F)Oc1cccc2c1cccc2 7a_100000210388_100009813575 [0,2,0,0,0,0|1,0,0]=3 6183 B18R2.904449 CNC(=O)C(F)Oc1cccc2c1cccn2 34a_100011197808_100009813575 [0,2,0,0,0,0|2,0,0]=4 6184 B18R2.904449 CNC(=O)C(F)Oc1cccc2c1ccnc2 34a_100011218533_100009813575 [0,2,0,0,0,0|2,0,0]=4 6185 B18R2.904449 CNC(=O)C(F)Oc1cccc2c1cncc2 34a_103624766955_100009813575 [0,2,0,0,0,0|2,0,0]=4 6186 B18R2.904449 CNC(=O)C(F)Oc1cccc2c1nccc2 34a_100000056035_100009813575 [0,2,0,0,0,0|2,0,0]=4 6187 B18R2.904449 CNC(=O)C(F)Oc1cncc2c1cccc2 34a_100000066178_100009813575 [0,2,0,0,0,0|2,0,0]=4 6188 B18R2.904449 CNC(=O)C(F)Oc1cncc2c1cccc2 7a_100000066178_100009813575 [0,2,0,0,0,0|2,0,0]=4 6189 B18R2.904449 CNC(=O)C(F)Oc1nccc2c1cccc2 34a_102531767632_100009813575 [0,2,0,0,0,0|2,0,0]=4 6190 B18R2.904449 CNC(=O)C(F)Sc1cccc2c1cccc2 62a_100009813575_100000210605 [0,2,0,0,0,0|1,1,0]=4 6191 B18R2.904449 COC(=O)C(=O)Nc1cccc2c1cccc2 11a_100000185869_100000024059 [0,2,0,0,0,0|1,0,1]=4 6192 B18R2.904449 COC(=O)C(=O)Nc1cccc2c1cccc2 1626a_100000185869_100000024059 [0,2,0,0,0,0|1,0,1]=4 6193 B18R2.904449 COC(=O)C(C)Nc1cccc2c1cccc2 34a_100000185869_100000211248 [0,2,0,0,0,0|1,0,0]=3 6194 B18R2.904449 COC(=O)C(C)Nc1cccc2c1cccn2 34a_100000183906_100000211248 [0,2,0,0,0,0|2,0,0]=4 6195 B18R2.904449 COC(=O)C(C)Nc1cccc2c1nccc2 34a_100000181377_100000211248 [0,2,0,0,0,0|2,0,0]=4 6196 B18R2.904449 COC(=O)C(C)Oc1cccc2c1CC=CC2 34a_100000074931_100000211248 [0,2,0,0,0,0|0,0,2]=4 6197 B18R2.904449 COC(=O)C(C)Oc1cccc2c1CC=CC2 7a_100000074931_100000211248 [0,2,0,0,0,0|0,0,2]=4 6198 B18R2.904449 COC(=O)C(C)Oc1cccc2c1cccc2 34a_100000210388_100000211248 [0,2,0,0,0,0|0,0,0]=2 6199 B18R2.904449 COC(=O)C(C)Oc1cccc2c1cccc2 7a_100000210388_100000211248 [0,2,0,0,0,0|0,0,0]=2 6200 B18R2.904449 COC(=O)C(C)Oc1cccc2c1cccn2 34a_100011197808_100000211248 [0,2,0,0,0,0|1,0,0]=3 6201 B18R2.904449 COC(=O)C(C)Oc1cccc2c1ccnc2 34a_100011218533_100000211248 [0,2,0,0,0,0|1,0,0]=3 6202 B18R2.904449 COC(=O)C(C)Oc1cccc2c1cncc2 34a_103624766955_100000211248 [0,2,0,0,0,0|1,0,0]=3 6203 B18R2.904449 COC(=O)C(C)Oc1cccc2c1nccc2 34a_100000056035_100000211248 [0,2,0,0,0,0|1,0,0]=3 6204 B18R2.904449 COC(=O)C(C)Oc1cccc2c1nccn2 34a_100000077048_100000211248 [0,2,0,0,0,0|2,0,0]=4 6205 B18R2.904449 COC(=O)C(C)Oc1cccc2c1ncnc2 34a_200000077003_100000211248 [0,2,0,0,0,0|2,0,0]=4 6206 B18R2.904449 COC(=O)C(C)Oc1cncc2c1cccc2 34a_100000066178_100000211248 [0,2,0,0,0,0|1,0,0]=3 6207 B18R2.904449 COC(=O)C(C)Oc1cncc2c1cccc2 7a_100000066178_100000211248 [0,2,0,0,0,0|1,0,0]=3 6208 B18R2.904449 COC(=O)C(C)Oc1nccc2c1cccc2 34a_102531767632_100000211248 [0,2,0,0,0,0|1,0,0]=3 6209 B18R2.904449 COC(=O)C(C)Sc1cccc2c1cccc2 62a_100000211248_100000210605 [0,2,0,0,0,0|0,1,0]=3 6210 B18R2.904449 COC(=O)C(C)Sc1cccc2c1cccn2 62a_100000211248_100011290932 [0,2,0,0,0,0|1,1,0]=4 6211 B18R2.904449 COC(=O)C(C)Sc1cccc2c1cccn2 62a_100011290932_100000211248 [0,2,0,0,0,0|1,1,0]=4 6212 B18R2.904449 COC(=O)C(C)Sc1cccc2c1ccnc2 62a_100000186358_100000211248 [0,2,0,0,0,0|1,1,0]=4 6213 B18R2.904449 COC(=O)C(C)Sc1cccc2c1ccnc2 62a_100000211248_100000186358 [0,2,0,0,0,0|1,1,0]=4 6214 B18R2.904449 COC(=O)C(C)Sc1cccc2c1cncc2 62a_100000211248_100000685578 [0,2,0,0,0,0|1,1,0]=4 6215 B18R2.904449 COC(=O)C(C)Sc1cccc2c1cncc2 62a_100000685578_100000211248 [0,2,0,0,0,0|1,1,0]=4 6216 B18R2.904449 COC(=O)C(C)Sc1cccc2c1nccc2 62a_100000211248_100011215545 [0,2,0,0,0,0|1,1,0]=4 6217 B18R2.904449 COC(=O)C(C)Sc1ccnc2c1cccc2 62a_100000211248_100011215880 [0,2,0,0,0,0|1,1,0]=4 6218 B18R2.904449 COC(=O)C(C)Sc1ccnc2c1cccc2 62a_100011458314_100000211248 [0,2,0,0,0,0|1,1,0]=4 6219 B18R2.904449 COC(=O)C(C)Sc1cncc2c1cccc2 62a_100000187577_100000211248 [0,2,0,0,0,0|1,1,0]=4 6220 B18R2.904449 COC(=O)C(C)Sc1cncc2c1cccc2 62a_100000211248_100000187577 [0,2,0,0,0,0|1,1,0]=4 6221 B18R2.904449 COC(=O)C(C)Sc1nccc2c1cccc2 62a_100000211248_100011934041 [0,2,0,0,0,0|1,1,0]=4 6222 B18R2.904449 COC(=O)C(C)Sc1nccc2c1cccc2 62a_100011934041_100000211248 [0,2,0,0,0,0|1,1,0]=4 6223 B18R2.913225 CCC(Nc1cccc2c1cccc2)C(=O)N 34a_100000185869_100000750255 [0,2,0,0,0,0|2,0,0]=4 6224 B18R2.913225 CCC(Oc1cccc2c1cccc2)C(=O)N 34a_100000210388_100000750255 [0,2,0,0,0,0|1,0,0]=3 6225 B18R2.913225 CCC(Oc1cccc2c1cccc2)C(=O)N 7a_100000210388_100000750255 [0,2,0,0,0,0|1,0,0]=3 6226 B18R2.913225 CCC(Oc1cccc2c1cccn2)C(=O)N 34a_100011197808_100000750255 [0,2,0,0,0,0|2,0,0]=4 6227 B18R2.913225 CCC(Oc1cccc2c1ccnc2)C(=O)N 34a_100011218533_100000750255 [0,2,0,0,0,0|2,0,0]=4 6228 B18R2.913225 CCC(Oc1cccc2c1cncc2)C(=O)N 34a_103624766955_100000750255 [0,2,0,0,0,0|2,0,0]=4 6229 B18R2.913225 CCC(Oc1cccc2c1nccc2)C(=O)N 34a_100000056035_100000750255 [0,2,0,0,0,0|2,0,0]=4 6230 B18R2.913225 CCC(Oc1cncc2c1cccc2)C(=O)N 34a_100000066178_100000750255 [0,2,0,0,0,0|2,0,0]=4 6231 B18R2.913225 CCC(Oc1cncc2c1cccc2)C(=O)N 7a_100000066178_100000750255 [0,2,0,0,0,0|2,0,0]=4 6232 B18R2.913225 CCC(Oc1nccc2c1cccc2)C(=O)N 34a_102531767632_100000750255 [0,2,0,0,0,0|2,0,0]=4 6233 B18R2.913225 CCC(Sc1cccc2c1cccc2)C(=O)N 62a_100000750255_100000210605 [0,2,0,0,0,0|1,1,0]=4 6234 B18R2.1372400 CC(=O)C(C)(C)Oc1cccc2c1cccc2 7a_100000210388_100000075568 [0,2,0,0,0,0|1,0,0]=3 6235 B18R2.1372400 CC(=O)C(C)(C)Oc1cncc2c1cccc2 7a_100000066178_100000075568 [0,2,0,0,0,0|2,0,0]=4 6236 B18R2.1372400 CC(=O)C(C)(C)Sc1cccc2c1cccc2 62a_100000075568_100000210605 [0,2,0,0,0,0|1,1,0]=4 6237 B18R2.1372400 CC(C)(Nc1cccc2c1cccc2)C(=O)N 34a_100000185869_100000702505 [0,2,0,0,0,0|2,0,0]=4 6238 B18R2.1372400 CC(C)(Oc1cccc2c1cccc2)C(=O)N 34a_100000210388_100000702505 [0,2,0,0,0,0|1,0,0]=3 6239 B18R2.1372400 CC(C)(Oc1cccc2c1cccc2)C(=O)N 7a_100000210388_100000702505 [0,2,0,0,0,0|1,0,0]=3 6240 B18R2.1372400 CC(C)(Oc1cccc2c1cccn2)C(=O)N 34a_100011197808_100000702505 [0,2,0,0,0,0|2,0,0]=4 6241 B18R2.1372400 CC(C)(Oc1cccc2c1ccnc2)C(=O)N 34a_100011218533_100000702505 [0,2,0,0,0,0|2,0,0]=4 6242 B18R2.1372400 CC(C)(Oc1cccc2c1cncc2)C(=O)N 34a_103624766955_100000702505 [0,2,0,0,0,0|2,0,0]=4 6243 B18R2.1372400 CC(C)(Oc1cccc2c1nccc2)C(=O)N 34a_100000056035_100000702505 [0,2,0,0,0,0|2,0,0]=4 6244 B18R2.1372400 CC(C)(Oc1cncc2c1cccc2)C(=O)N 34a_100000066178_100000702505 [0,2,0,0,0,0|2,0,0]=4 6245 B18R2.1372400 CC(C)(Oc1cncc2c1cccc2)C(=O)N 7a_100000066178_100000702505 [0,2,0,0,0,0|2,0,0]=4 6246 B18R2.1372400 CC(C)(Oc1nccc2c1cccc2)C(=O)N 34a_102531767632_100000702505 [0,2,0,0,0,0|2,0,0]=4 6247 B18R2.1372400 CC(C)(Sc1cccc2c1cccc2)C(=O)N 62a_100000702505_100000210605 [0,2,0,0,0,0|1,1,0]=4 6248 B18R2.1372400 NC(=O)C(F)(F)Oc1cccc2c1cccc2 7a_100000210388_100009811971 [0,2,0,0,0,0|1,0,0]=3 6249 B18R2.1372400 NC(=O)C(F)(F)Oc1cncc2c1cccc2 7a_100000066178_100009811971 [0,2,0,0,0,0|2,0,0]=4 6250 B18R2.1372400 NC(=O)C(F)(F)Sc1cccc2c1cccc2 62a_100009811971_100000210605 [0,2,0,0,0,0|1,1,0]=4 6251 B18R2.1372400 O=C([O-])C(F)(F)Nc1cccc2c1cccc2 34a_100000185869_100020612412 [0,2,0,0,0,0|1,0,1]=4 6252 B18R2.1372400 O=C([O-])C(F)(F)Oc1cccc2c1cccc2 34a_100000210388_100020612412 [0,2,0,0,0,0|0,0,1]=3 6253 B18R2.1372400 O=C([O-])C(F)(F)Oc1cccc2c1cccn2 34a_100011197808_100020612412 [0,2,0,0,0,0|1,0,1]=4 6254 B18R2.1372400 O=C([O-])C(F)(F)Oc1cccc2c1ccnc2 34a_100011218533_100020612412 [0,2,0,0,0,0|1,0,1]=4 6255 B18R2.1372400 O=C([O-])C(F)(F)Oc1cccc2c1cncc2 34a_103624766955_100020612412 [0,2,0,0,0,0|1,0,1]=4 6256 B18R2.1372400 O=C([O-])C(F)(F)Oc1cccc2c1nccc2 34a_100000056035_100020612412 [0,2,0,0,0,0|1,0,1]=4 6257 B18R2.1372400 O=C([O-])C(F)(F)Oc1cncc2c1cccc2 34a_100000066178_100020612412 [0,2,0,0,0,0|1,0,1]=4 6258 B18R2.1372400 O=C([O-])C(F)(F)Oc1nccc2c1cccc2 34a_102531767632_100020612412 [0,2,0,0,0,0|1,0,1]=4 6259 B18R2.1372400 O=C([O-])C(F)(F)Sc1cccc2c1cccc2 62a_100000745680_100000210605 [0,2,0,0,0,0|0,1,1]=4 6260 B18R2.2912343 CC(=O)C(C)C(=O)c1cccc2c1cccc2 1458a_100000210949_100000179758 [0,2,0,0,0,0|2,0,0]=4 6261 B18R2.2912343 CC(=O)C(C)N(C)c1cccc2c1cccc2 2230a_100000220138_100009814033 [0,2,0,0,0,0|2,0,0]=4 6262 B18R2.2912343 CC(=O)C(C)N(C)c1cccc2c1cccc2 269982a_100000220138_100009814033 [0,2,0,0,0,0|2,0,0]=4 6263 B18R2.2912343 CC(C(=O)N)C(=O)c1cccc2c1cccc2 1458a_100000210949_100000702099 [0,2,0,0,0,0|2,0,0]=4 6264 B18R2.2912343 CC(C(=O)N)N(C)c1cccc2c1cccc2 2230a_100000220138_100000702099 [0,2,0,0,0,0|2,0,0]=4 6265 B18R2.2912343 CC(C(=O)N)N(C)c1cccc2c1cccc2 269982a_100000220138_100000184083 [0,2,0,0,0,0|2,0,0]=4 6266 B18R2.2912343 CC(C(=O)N)N(C)c1cccc2c1cccc2 34a_100000220138_100000702099 [0,2,0,0,0,0|2,0,0]=4 6267 B18R2.2912343 CN(c1cccc2c1cccc2)C(F)C(=O)N 2230a_100000220138_100009813875 [0,2,0,0,0,0|2,0,0]=4 6268 B18R2.2912343 CN(c1cccc2c1cccc2)C(F)C(=O)N 269982a_100000220138_100009813875 [0,2,0,0,0,0|2,0,0]=4 6269 B18R2.2912343 CN(c1cccc2c1cccc2)C(F)C(=O)N 34a_100000220138_100009813875 [0,2,0,0,0,0|2,0,0]=4 6270 B18R2.2912343 CN(c1cccc2c1cccc2)C(F)C(=O)[O-] 34a_100000220138_100020610796 [0,2,0,0,0,0|1,0,1]=4 6271 B18R2.2912343 NC(=O)C(F)C(=O)c1cccc2c1cccc2 1458a_100000210949_100009813875 [0,2,0,0,0,0|2,0,0]=4 6272 B18R2.2912343 O=C([O-])C(F)C(=O)c1cccc2c1cccc2 1458a_100000210949_100020610796 [0,2,0,0,0,0|1,0,1]=4 6273 B18R2.1411698 CCN(CC(=O)N)c1cccc2c1cccc2 2230a_100000185437_100000747473 [0,2,0,0,0,0|2,0,0]=4 6274 B18R2.1411698 CCN(CC(=O)N)c1cccc2c1cccc2 269982a_100000185437_100000187820 [0,2,0,0,0,0|2,0,0]=4 6275 B18R2.1411698 CCN(CC(=O)N)c1cccc2c1cccc2 34a_100000185437_100000187820 [0,2,0,0,0,0|2,0,0]=4 6276 B18R2.1411698 CCN(CC(=O)[O-])c1cccc2c1cccc2 269982a_100000185437_100020667443 [0,2,0,0,0,0|1,0,1]=4 6277 B18R2.1411698 CCN(CC(=O)[O-])c1cccc2c1cccc2 34a_100000185437_100020667443 [0,2,0,0,0,0|1,0,1]=4 6278 B18R2.1411698 CN[C@@H](CC(=O)O)c1cccc2c1cccc2 269956a_100011420599_200000210301 [0,2,0,0,0,0|1,0,0]=3 6279 B18R2.1411698 [13CH3]N[C@@H](CC(=O)O)c1cccc2c1cccc2 269956a_100011420599_200025704644 [0,2,0,0,0,0|1,0,0]=3 6280 B16R2.477 C=C(C)COc1ccc2ccccc2c1 34a_100000185828_100000748629 [0,0,1,1,0,0|2,0,0]=4 6281 B16R2.477 C=C(C)COc1ccc2ccccc2c1 7a_100000185828_100000748629 [0,0,1,1,0,0|2,0,0]=4 6282 B16R2.477 C=C(F)COc1ccc2ccccc2c1 34a_100000185828_100009893438 [0,0,1,1,0,0|2,0,0]=4 6283 B16R2.477 C=C(F)COc1ccc2ccccc2c1 7a_100000185828_100000042424 [0,0,1,1,0,0|2,0,0]=4 6284 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [0,0,1,1,0,0|2,0,0]=4 6285 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,0,1,1,0,0|1,0,0]=3 6286 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200000210301 [0,0,1,1,0,0|1,1,0]=4 6287 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [0,0,1,1,0,0|1,0,1]=4 6288 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [0,0,1,1,0,0|1,0,1]=4 6289 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [0,0,1,1,0,0|1,0,1]=4 6290 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [0,0,1,1,0,0|1,0,1]=4 6291 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000187820 [0,0,1,1,0,0|2,0,0]=4 6292 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000187820 [0,0,1,1,0,0|2,0,0]=4 6293 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [0,0,1,1,0,0|1,0,0]=3 6294 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [0,0,1,1,0,0|1,0,0]=3 6295 B16R2.477 NC(=O)COc1ccc2cccnc2c1 34a_100011216045_100000187820 [0,0,1,1,0,0|2,0,0]=4 6296 B16R2.477 NC(=O)COc1ccc2ccncc2c1 7a_100000752006_100000187820 [0,0,1,1,0,0|2,0,0]=4 6297 B16R2.477 NC(=O)COc1ccc2cnccc2c1 34a_100000046372_100000187820 [0,0,1,1,0,0|2,0,0]=4 6298 B16R2.477 NC(=O)COc1ccc2cnccc2c1 7a_100000046372_100000187820 [0,0,1,1,0,0|2,0,0]=4 6299 B16R2.477 NC(=O)COc1ccc2ncccc2c1 34a_100011215586_100000187820 [0,0,1,1,0,0|2,0,0]=4 6300 B16R2.477 NC(=O)COc1ccc2ncccc2c1 7a_100011215586_100000187820 [0,0,1,1,0,0|2,0,0]=4 6301 B16R2.477 NC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000187820 [0,0,1,1,0,0|2,0,0]=4 6302 B16R2.477 NC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000187820 [0,0,1,1,0,0|2,0,0]=4 6303 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 62a_100000747473_100000233703 [0,0,1,1,0,0|1,1,0]=4 6304 B16R2.477 O=C([O-])CNc1ccc2ccccc2c1 34a_100000211940_100020667443 [0,0,1,1,0,0|1,0,1]=4 6305 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [0,0,1,1,0,0|0,0,1]=3 6306 B16R2.477 O=C([O-])COc1ccc2cccnc2c1 34a_100011216045_100020667443 [0,0,1,1,0,0|1,0,1]=4 6307 B16R2.477 O=C([O-])COc1ccc2cnccc2c1 34a_100000046372_100020667443 [0,0,1,1,0,0|1,0,1]=4 6308 B16R2.477 O=C([O-])COc1ccc2ncccc2c1 34a_100011215586_100020667443 [0,0,1,1,0,0|1,0,1]=4 6309 B16R2.477 O=C([O-])COc1cnc2ccccc2c1 34a_100011934006_100020667443 [0,0,1,1,0,0|1,0,1]=4 6310 B16R2.477 O=C([O-])CSc1ccc2ccccc2c1 62a_100020667443_100000233703 [0,0,1,1,0,0|0,1,1]=4 6311 B16R2.477 O=[N+]([O-])COc1ccc2ccccc2c1 34a_100000185828_100000761209 [0,0,1,1,0,0|1,0,1]=4 6312 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [0,0,1,1,0,0|2,0,0]=4 6313 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,0,1,1,0,0|1,0,0]=3 6314 B16R2.477 [13CH3]C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200025704644 [0,0,1,1,0,0|1,1,0]=4 6315 B16R3.1817 c1ccc2c(cccc2c1)OC3CC3 34a_100000210388_100000211595 [1,0,0,1,0,0|1,0,1]=4 6316 B18R3.211 O=C1CC(C1)Sc2cccc3c2cccc3 62a_100009894365_100000210605 [0,0,0,1,0,1|1,1,0]=4 6317 B18R3.2175 c1ccc2c(cccc2c1)COCC3CO3 34a_100011216843_102125554688 [0,0,0,1,0,1|1,0,1]=4 6318 B18R3.2175 c1ccc2c(cccc2c1)COCC3CO3 7a_100011216843_102125554688 [0,0,0,1,0,1|1,0,1]=4 6319 B18R3.2175 c1ccc2c(cccc2c1)COC[C@@H]3CO3 34a_100000757423_100011261445 [0,0,0,1,0,1|1,0,1]=4 6320 B18R3.2175 c1ccc2c(cccc2c1)COC[C@@H]3CO3 7a_100011216843_100000745022 [0,0,0,1,0,1|1,0,1]=4 6321 B18R3.2175 c1ccc2c(cccc2c1)OCCC3CO3 34a_100000210388_100000732470 [0,0,0,1,0,1|1,0,1]=4 6322 B18R3.2175 c1ccc2c(cccc2c1)OCCC3CO3 7a_100000210388_100000732470 [0,0,0,1,0,1|1,0,1]=4 6323 B18R3.2910 O=C1C=C(CC1)c2cccc3c2cccc3 271570a_100010737933_100000210605 [0,0,0,1,0,1|2,0,0]=4 6324 B18R3.3188 Brc1ccc2c(cccc2c1)OCC3CO3 34a_100010202202_102125554688 [0,1,0,1,0,0|1,0,1]=4 6325 B18R3.3188 Brc1ccc2c(cccc2c1)OCC3CO3 7a_100010202202_102125554688 [0,1,0,1,0,0|1,0,1]=4 6326 B18R3.3188 Brc1ccc2c(cccc2c1)OC[C@@H]3CO3 7a_100010202202_100000745022 [0,1,0,1,0,0|1,0,1]=4 6327 B18R3.3188 Fc1ccc2c(cccc2c1)OCC3CO3 34a_100009846233_102125554688 [0,1,0,1,0,0|1,0,1]=4 6328 B18R3.3188 Fc1ccc2c(cccc2c1)OCC3CO3 7a_100009846233_102125554688 [0,1,0,1,0,0|1,0,1]=4 6329 B18R3.3188 Fc1ccc2c(cccc2c1)OC[C@@H]3CO3 7a_100009846233_100000745022 [0,1,0,1,0,0|1,0,1]=4 6330 B18R3.3188 Nc1ccc2c(cccc2c1)OCC3CO3 34a_100000035793_102125554688 [0,1,0,1,0,0|1,0,1]=4 6331 B18R3.6200 Brc1cc(c2ccccc2c1)OCC3CO3 34a_100010089979_102125554688 [0,1,0,1,0,0|1,0,1]=4 6332 B18R3.6200 Brc1cc(c2ccccc2c1)OCC3CO3 7a_100010089979_102125554688 [0,1,0,1,0,0|1,0,1]=4 6333 B18R3.6200 Brc1cc(c2ccccc2c1)OC[C@@H]3CO3 7a_100010089979_100000745022 [0,1,0,1,0,0|1,0,1]=4 6334 B18R3.7172 Brc1ccc2ccccc2c1OCC3CO3 34a_100009996032_102125554688 [0,1,0,1,0,0|1,0,1]=4 6335 B18R3.7172 Brc1ccc2ccccc2c1OCC3CO3 7a_100009996032_102125554688 [0,1,0,1,0,0|1,0,1]=4 6336 B18R3.7172 Brc1ccc2ccccc2c1OC[C@@H]3CO3 7a_100009996032_100000745022 [0,1,0,1,0,0|1,0,1]=4 6337 B18R3.7172 Cc1ccc2ccccc2c1OCC3CO3 34a_100000039261_102125554688 [0,1,0,1,0,0|1,0,1]=4 6338 B18R3.7172 Cc1ccc2ccccc2c1OCC3CO3 7a_100000039261_102125554688 [0,1,0,1,0,0|1,0,1]=4 6339 B18R3.7172 Cc1ccc2ccccc2c1OC[C@@H]3CO3 7a_100000039261_100000745022 [0,1,0,1,0,0|1,0,1]=4 6340 B18R3.7172 Nc1ccc2ccccc2c1OCC3CO3 34a_100000007060_102125554688 [0,1,0,1,0,0|1,0,1]=4 6341 B18R3.32763 Brc1ccc2cccc(c2c1)OCC3CO3 34a_100010089991_102125554688 [0,1,0,1,0,0|1,0,1]=4 6342 B18R3.32763 Brc1ccc2cccc(c2c1)OCC3CO3 7a_100010089991_102125554688 [0,1,0,1,0,0|1,0,1]=4 6343 B18R3.32763 Brc1ccc2cccc(c2c1)OC[C@@H]3CO3 7a_100010089991_100000745022 [0,1,0,1,0,0|1,0,1]=4 6344 B18R3.32763 Cc1ccc2cccc(c2c1)OCC3CO3 34a_100000040781_102125554688 [0,1,0,1,0,0|1,0,1]=4 6345 B18R3.32763 Cc1ccc2cccc(c2c1)OCC3CO3 7a_100000040781_102125554688 [0,1,0,1,0,0|1,0,1]=4 6346 B18R3.32763 Cc1ccc2cccc(c2c1)OC[C@@H]3CO3 7a_100000040781_100000745022 [0,1,0,1,0,0|1,0,1]=4 6347 B18R3.32763 Clc1ccc2cccc(c2c1)OCC3CO3 34a_100009840344_102125554688 [0,1,0,1,0,0|1,0,1]=4 6348 B18R3.32763 Clc1ccc2cccc(c2c1)OCC3CO3 7a_100009840344_102125554688 [0,1,0,1,0,0|1,0,1]=4 6349 B18R3.32763 Clc1ccc2cccc(c2c1)OC[C@@H]3CO3 7a_100009840344_100000745022 [0,1,0,1,0,0|1,0,1]=4 6350 B18R3.32763 Fc1ccc2cccc(c2c1)OCC3CO3 34a_100009881884_102125554688 [0,1,0,1,0,0|1,0,1]=4 6351 B18R3.32763 Fc1ccc2cccc(c2c1)OCC3CO3 7a_100009881884_102125554688 [0,1,0,1,0,0|1,0,1]=4 6352 B18R3.32763 Fc1ccc2cccc(c2c1)OC[C@@H]3CO3 7a_100009881884_100000745022 [0,1,0,1,0,0|1,0,1]=4 6353 B18R3.32763 Nc1ccc2cccc(c2c1)OCC3CO3 34a_100132313934_102125554688 [0,1,0,1,0,0|1,0,1]=4 6354 B18R3.32763 Nc1ccc2cccc(c2c1)OCC3CO3 7a_100132313934_102125554688 [0,1,0,1,0,0|1,0,1]=4 6355 B18R3.32763 Nc1ccc2cccc(c2c1)OC[C@@H]3CO3 7a_100132313934_100000745022 [0,1,0,1,0,0|1,0,1]=4 6356 B18R3.88101 Brc1cccc2c1cccc2OCC3CO3 34a_100010003857_102125554688 [0,1,0,1,0,0|1,0,1]=4 6357 B18R3.88101 Brc1cccc2c1cccc2OCC3CO3 7a_100010003857_102125554688 [0,1,0,1,0,0|1,0,1]=4 6358 B18R3.88101 Brc1cccc2c1cccc2OC[C@@H]3CO3 7a_100010003857_100000745022 [0,1,0,1,0,0|1,0,1]=4 6359 B18R3.88101 Nc1cccc2c1cccc2OCC3CO3 34a_100000210686_102125554688 [0,1,0,1,0,0|1,0,1]=4 6360 B18R3.98505 Brc1ccc(c2c1cccc2)OCC3CO3 34a_100000186334_102125554688 [0,1,0,1,0,0|1,0,1]=4 6361 B18R3.98505 Brc1ccc(c2c1cccc2)OCC3CO3 7a_100000186334_102125554688 [0,1,0,1,0,0|1,0,1]=4 6362 B18R3.98505 Brc1ccc(c2c1cccc2)OC[C@@H]3CO3 7a_100000186334_100000745022 [0,1,0,1,0,0|1,0,1]=4 6363 B18R3.98505 Cc1ccc(c2c1cccc2)OCC3CO3 34a_100000074455_102125554688 [0,1,0,1,0,0|1,0,1]=4 6364 B18R3.98505 Cc1ccc(c2c1cccc2)OCC3CO3 7a_100000074455_102125554688 [0,1,0,1,0,0|1,0,1]=4 6365 B18R3.98505 Cc1ccc(c2c1cccc2)OC[C@@H]3CO3 7a_100000074455_100000745022 [0,1,0,1,0,0|1,0,1]=4 6366 B18R3.98505 Clc1ccc(c2c1cccc2)OCC3CO3 34a_100000211000_102125554688 [0,1,0,1,0,0|1,0,1]=4 6367 B18R3.98505 Clc1ccc(c2c1cccc2)OCC3CO3 7a_100000211000_102125554688 [0,1,0,1,0,0|1,0,1]=4 6368 B18R3.98505 Clc1ccc(c2c1cccc2)OC[C@@H]3CO3 7a_100000211000_100000745022 [0,1,0,1,0,0|1,0,1]=4 6369 B18R3.98505 Fc1ccc(c2c1cccc2)OCC3CO3 34a_100000100223_102125554688 [0,1,0,1,0,0|1,0,1]=4 6370 B18R3.98505 Fc1ccc(c2c1cccc2)OCC3CO3 7a_100000100223_102125554688 [0,1,0,1,0,0|1,0,1]=4 6371 B18R3.98505 Fc1ccc(c2c1cccc2)OC[C@@H]3CO3 7a_100000100223_100000745022 [0,1,0,1,0,0|1,0,1]=4 6372 B18R3.98505 Nc1ccc(c2c1cccc2)OCC3CO3 34a_100000705857_102125554688 [0,1,0,1,0,0|1,0,1]=4 6373 B18R3.98505 Nc1ccc(c2c1cccc2)OCC3CO3 7a_100000705857_102125554688 [0,1,0,1,0,0|1,0,1]=4 6374 B18R3.98505 Nc1ccc(c2c1cccc2)OC[C@@H]3CO3 7a_100000705857_100000745022 [0,1,0,1,0,0|1,0,1]=4 6375 B18R3.825031 Brc1cccc2c1c(ccc2)OCC3CO3 34a_100010089961_102125554688 [0,1,0,1,0,0|1,0,1]=4 6376 B18R3.825031 Brc1cccc2c1c(ccc2)OCC3CO3 7a_100010089961_102125554688 [0,1,0,1,0,0|1,0,1]=4 6377 B18R3.825031 Brc1cccc2c1c(ccc2)OC[C@@H]3CO3 7a_100010089961_100000745022 [0,1,0,1,0,0|1,0,1]=4 6378 B18R3.155 O=C1CCC1Nc2cccc3c2cccc3 34a_100000185869_100009892977 [0,1,0,1,0,0|2,0,0]=4 6379 B18R3.155 O=C1CCC1Oc2cccc3c2cccc3 34a_100000210388_100009892977 [0,1,0,1,0,0|1,0,0]=3 6380 B18R3.155 O=C1CCC1Oc2cccc3c2cccc3 7a_100000210388_100009892977 [0,1,0,1,0,0|1,0,0]=3 6381 B18R3.155 O=C1CCC1Oc2cccc3c2cccn3 34a_100011197808_100009892977 [0,1,0,1,0,0|2,0,0]=4 6382 B18R3.155 O=C1CCC1Oc2cccc3c2ccnc3 34a_100011218533_100009892977 [0,1,0,1,0,0|2,0,0]=4 6383 B18R3.155 O=C1CCC1Oc2cccc3c2cncc3 34a_103624766955_100009892977 [0,1,0,1,0,0|2,0,0]=4 6384 B18R3.155 O=C1CCC1Oc2cccc3c2nccc3 34a_100000056035_100009892977 [0,1,0,1,0,0|2,0,0]=4 6385 B18R3.155 O=C1CCC1Oc2cncc3c2cccc3 34a_100000066178_100009892977 [0,1,0,1,0,0|2,0,0]=4 6386 B18R3.155 O=C1CCC1Oc2cncc3c2cccc3 7a_100000066178_100009892977 [0,1,0,1,0,0|2,0,0]=4 6387 B18R3.155 O=C1CCC1Oc2nccc3c2cccc3 34a_102531767632_100009892977 [0,1,0,1,0,0|2,0,0]=4 6388 B18R3.155 O=C1CCC1Sc2cccc3c2cccc3 62a_100009892977_100000210605 [0,1,0,1,0,0|1,1,0]=4 6389 B18R3.14455 c1ccc2c(cccc2c1)OCC3CCO3 34a_100000210388_100000103362 [0,1,0,1,0,0|1,0,1]=4 6390 B18R3.14455 c1ccc2c(cccc2c1)OCC3CCO3 7a_100000210388_100000103362 [0,1,0,1,0,0|1,0,1]=4 6391 B18R3.14455 c1ccc2c(cccc2c1)OCC3COC3 34a_100000210388_100010264016 [0,1,0,1,0,0|1,0,1]=4 6392 B18R3.14455 c1ccc2c(cccc2c1)OCC3COC3 7a_100000210388_100010264016 [0,1,0,1,0,0|1,0,1]=4 6393 B18R3.38350 CC1(CO1)COc2cccc3c2cccc3 34a_100000210388_100000760498 [0,1,0,1,0,0|1,0,1]=4 6394 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)C 271570a_100011290941_200011243946 [0,0,1,0,1,0|2,0,0]=4 6395 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)N 1458a_100011830265_100000187820 [0,0,1,0,1,0|2,0,0]=4 6396 B14R1.840 C=Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100011830265_100020667443 [0,0,1,0,1,0|1,0,1]=4 6397 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [0,0,1,0,1,0|1,0,1]=4 6398 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [0,0,1,0,1,0|1,0,1]=4 6399 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,0,1,0,1,0|1,0,1]=4 6400 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [0,0,1,0,1,0|0,0,2]=4 6401 B14R1.515 C=CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210623 [0,0,1,0,1,0|1,0,1]=4 6402 B14R2.3 C=CCOc1csc2c1cccc2 34a_100000077758_100015514636 [1,0,0,0,1,0|2,0,0]=4 6403 B14R2.3 C=CCOc1csc2c1cccc2 7a_100000077758_100015514636 [1,0,0,0,1,0|2,0,0]=4 6404 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [1,0,0,0,1,0|1,0,0]=3 6405 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [1,0,0,0,1,0|1,0,0]=3 6406 B14R2.3 O=CCSc1coc2c1cccc2 62a_200015260668_100009812202 [1,0,0,0,1,0|1,1,0]=4 6407 B14R2.3 O=CCSc1csc2c1cccc2 62a_200015260668_100009813928 [1,0,0,0,1,0|1,1,0]=4 6408 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [1,0,0,0,1,0|1,0,1]=4 6409 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [1,0,0,0,1,0|1,0,1]=4 6410 B14R2.892 C=CCOc1cccc2c1cc[nH]2 34a_100000763377_100015514636 [1,0,0,0,1,0|2,0,0]=4 6411 B14R2.892 C=CCOc1cccc2c1ccs2 34a_100000077759_100015514636 [1,0,0,0,1,0|2,0,0]=4 6412 B14R2.892 C=CCOc1cccc2c1ccs2 7a_100000077759_100015514636 [1,0,0,0,1,0|2,0,0]=4 6413 B14R2.892 O=CCNc1cccc2c1ccs2 34a_100020628958_200009817547 [1,0,0,0,1,0|2,0,0]=4 6414 B14R2.892 O=CCOc1cccc2c1cc[nH]2 34a_100000763377_200009817547 [1,0,0,0,1,0|1,0,0]=3 6415 B14R2.892 O=CCOc1cccc2c1ccs2 34a_100000077759_200009817547 [1,0,0,0,1,0|1,0,0]=3 6416 B14R2.892 O=CCOc1cccc2c1ccs2 7a_100000077759_200015260668 [1,0,0,0,1,0|1,0,0]=3 6417 B14R2.892 O=CCOc1cccc2c1ncs2 34a_100000101385_200009817547 [1,0,0,0,1,0|2,0,0]=4 6418 B14R2.892 O=CCOc1cccc2c1ncs2 7a_100000101385_200015260668 [1,0,0,0,1,0|2,0,0]=4 6419 B14R2.892 O=CCOc1cccn2c1ncc2 34a_100000068405_200009817547 [1,0,0,0,1,0|2,0,0]=4 6420 B14R2.892 O=CCOc1cccn2c1ncc2 7a_100000068405_200015260668 [1,0,0,0,1,0|2,0,0]=4 6421 B14R2.892 O=CCOc1ccnc2c1scc2 34a_100000759877_200009817547 [1,0,0,0,1,0|2,0,0]=4 6422 B14R2.892 O=CCSc1cccc2c1CC=C2 62a_100009844718_200015260668 [1,0,0,0,1,0|0,1,1]=4 6423 B14R2.892 O=CCSc1cccc2c1CC=C2 62a_200015260668_100009844718 [1,0,0,0,1,0|0,1,1]=4 6424 B14R2.892 O=CCSc1cccc2c1[nH]cc2 62a_200015260668_100009813418 [1,0,0,0,1,0|1,1,0]=4 6425 B14R2.892 O=CCSc1cccc2c1cc[nH]2 62a_200015260668_100000685724 [1,0,0,0,1,0|1,1,0]=4 6426 B14R2.892 O=CCSc1cccc2c1cco2 62a_200015260668_100000756496 [1,0,0,0,1,0|1,1,0]=4 6427 B14R2.892 O=CCSc1cccc2c1ccs2 62a_200015260668_100009816950 [1,0,0,0,1,0|1,1,0]=4 6428 B14R2.892 O=CCSc1cccc2c1occ2 62a_200015260668_100011935138 [1,0,0,0,1,0|1,1,0]=4 6429 B14R2.892 O=CCSc1cccc2c1scc2 62a_200015260668_100000766737 [1,0,0,0,1,0|1,1,0]=4 6430 B14R2.892 OCCOc1cccc2c1cc[nH]2 34a_100000763377_100000211926 [1,0,0,0,1,0|1,0,1]=4 6431 B14R2.892 OCCOc1cccc2c1ccs2 34a_100000077759_100000211926 [1,0,0,0,1,0|1,0,1]=4 6432 B14R2.892 OCCOc1cccc2c1ccs2 7a_100000077759_100000211926 [1,0,0,0,1,0|1,0,1]=4 6433 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,0,0,2,0|2,0,0]=4 6434 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,0,0,2,0|2,0,0]=4 6435 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [0,0,0,0,2,0|2,0,0]=4 6436 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [0,0,0,0,2,0|2,0,0]=4 6437 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [0,0,0,0,2,0|2,0,0]=4 6438 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,0,0,2,0|2,0,0]=4 6439 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,0,0,2,0|2,0,0]=4 6440 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [0,0,0,0,2,0|2,0,0]=4 6441 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [0,0,0,0,2,0|2,0,0]=4 6442 B14R2.9440 CC(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_200000210301 [0,0,0,0,2,0|2,0,0]=4 6443 B14R2.9440 CC(=O)Cc1cccc2c1cco2 1458a_100000077588_200000210301 [0,0,0,0,2,0|2,0,0]=4 6444 B14R2.9440 CC(=O)Cc1cccc2c1scc2 1458a_100000070787_100009816938 [0,0,0,0,2,0|2,0,0]=4 6445 B14R2.9440 [13CH3]C(=O)Cc1cccc2c1cc[nH]2 1458a_100000094506_200025704644 [0,0,0,0,2,0|2,0,0]=4 6446 B14R2.9440 [13CH3]C(=O)Cc1cccc2c1cco2 1458a_100000077588_200025704644 [0,0,0,0,2,0|2,0,0]=4 6447 B14R2.31359 C=C(C)c1cccc2c1cccc2 271570a_100000694244_100000210605 [0,0,0,0,2,0|2,0,0]=4 6448 B14R2.31359 CC(=O)c1cccc2c1cccc2 1458a_100000210949_200000210301 [0,0,0,0,2,0|1,0,0]=3 6449 B14R2.31359 CC(=O)c1cccc2c1cccn2 1458a_100000241005_200000210301 [0,0,0,0,2,0|2,0,0]=4 6450 B14R2.31359 CC(=O)c1cccc2c1ccnc2 1458a_100011290933_200000210301 [0,0,0,0,2,0|2,0,0]=4 6451 B14R2.31359 CC(=O)c1cccc2c1cncc2 1458a_100011356482_200000210301 [0,0,0,0,2,0|2,0,0]=4 6452 B14R2.31359 CC(=O)c1cccc2c1nccc2 1458a_100000195423_200000210301 [0,0,0,0,2,0|2,0,0]=4 6453 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccc2 1458a_100000210949_200025704644 [0,0,0,0,2,0|1,0,0]=3 6454 B14R2.31359 [13CH3]C(=O)c1cccc2c1cccn2 1458a_100000241005_200025704644 [0,0,0,0,2,0|2,0,0]=4 6455 B14R2.31359 [13CH3]C(=O)c1cccc2c1ccnc2 1458a_100011290933_200025704644 [0,0,0,0,2,0|2,0,0]=4 6456 B14R2.31359 [13CH3]C(=O)c1cccc2c1cncc2 1458a_100011356482_200025704644 [0,0,0,0,2,0|2,0,0]=4 6457 B14R2.31359 [13CH3]C(=O)c1cccc2c1nccc2 1458a_100000195423_200025704644 [0,0,0,0,2,0|2,0,0]=4 6458 B18R2.556536 C=C(Br)CCOCc1cccc2c1cccc2 34a_100009813270_100011261445 [0,0,0,0,0,2|2,0,0]=4 6459 B18R2.556536 C=C(C)CCOCc1cccc2c1cccc2 34a_100000764851_100011261445 [0,0,0,0,0,2|2,0,0]=4 6460 B18R2.556536 C=C(C)CCOCc1cccc2c1cccc2 34a_100011216843_100000730704 [0,0,0,0,0,2|2,0,0]=4 6461 B18R2.556536 C=C(C)CCOCc1cccc2c1cccc2 7a_100011216843_100000730704 [0,0,0,0,0,2|2,0,0]=4 6462 B18R2.556536 C=C(C)COCCc1cccc2c1cccc2 34a_100000210245_100011290781 [0,0,0,0,0,2|2,0,0]=4 6463 B18R2.556536 C=C(C)COCCc1cccc2c1cccc2 34a_100011219628_100000748629 [0,0,0,0,0,2|2,0,0]=4 6464 B18R2.556536 C=C(C)COCCc1cccc2c1cccc2 7a_100011219628_100000748629 [0,0,0,0,0,2|2,0,0]=4 6465 B18R2.556536 C=C(F)COCCc1cccc2c1cccc2 34a_100011219628_100009893438 [0,0,0,0,0,2|2,0,0]=4 6466 B18R2.556536 C=C(F)COCCc1cccc2c1cccc2 34a_200010262243_100011290781 [0,0,0,0,0,2|2,0,0]=4 6467 B18R2.556536 C=C(F)COCCc1cccc2c1cccc2 7a_100011219628_100000042424 [0,0,0,0,0,2|2,0,0]=4 6468 B18R2.556536 CC(=CCCOc1cccc2c1cccc2)C 34a_100000210388_100011217483 [0,0,0,0,0,2|2,0,0]=4 6469 B18R2.556536 CC(=CCCOc1cccc2c1cccc2)C 7a_100000210388_100011217483 [0,0,0,0,0,2|2,0,0]=4 6470 B18R2.556536 CC(=CCOCc1cccc2c1cccc2)C 34a_100000753907_100011261445 [0,0,0,0,0,2|2,0,0]=4 6471 B18R2.556536 CC(=CCOCc1cccc2c1cccc2)C 34a_100011216843_100000761012 [0,0,0,0,0,2|2,0,0]=4 6472 B18R2.556536 CC(=CCOCc1cccc2c1cccc2)C 7a_100011216843_100000761012 [0,0,0,0,0,2|2,0,0]=4 6473 B18R2.556536 CC(=O)CCCNc1cccc2c1cccc2 34a_100000185869_100000685027 [0,0,0,0,0,2|2,0,0]=4 6474 B18R2.556536 CC(=O)CCCOc1cccc2c1cccc2 34a_100000210388_100000685027 [0,0,0,0,0,2|1,0,0]=3 6475 B18R2.556536 CC(=O)CCCOc1cccc2c1cccc2 7a_100000210388_100011215641 [0,0,0,0,0,2|1,0,0]=3 6476 B18R2.556536 CC(=O)CCCOc1cccc2c1cccn2 34a_100011197808_100000685027 [0,0,0,0,0,2|2,0,0]=4 6477 B18R2.556536 CC(=O)CCCOc1cccc2c1ccnc2 34a_100011218533_100000685027 [0,0,0,0,0,2|2,0,0]=4 6478 B18R2.556536 CC(=O)CCCOc1cccc2c1cncc2 34a_103624766955_100000685027 [0,0,0,0,0,2|2,0,0]=4 6479 B18R2.556536 CC(=O)CCCOc1cccc2c1nccc2 34a_100000056035_100000685027 [0,0,0,0,0,2|2,0,0]=4 6480 B18R2.556536 CC(=O)CCCOc1cncc2c1cccc2 34a_100000066178_100000685027 [0,0,0,0,0,2|2,0,0]=4 6481 B18R2.556536 CC(=O)CCCOc1cncc2c1cccc2 7a_100000066178_100011215641 [0,0,0,0,0,2|2,0,0]=4 6482 B18R2.556536 CC(=O)CCCOc1nccc2c1cccc2 34a_102531767632_100000685027 [0,0,0,0,0,2|2,0,0]=4 6483 B18R2.556536 CC(=O)CCCSc1cccc2c1cccc2 62a_100011215641_100000210605 [0,0,0,0,0,2|1,1,0]=4 6484 B18R2.556536 CC(=O)CCOCc1cccc2c1cccc2 34a_100000759926_100011261445 [0,0,0,0,0,2|1,0,0]=3 6485 B18R2.556536 CC(=O)CCOCc1cccc2c1cccc2 7a_100000759926_100011261445 [0,0,0,0,0,2|1,0,0]=3 6486 B18R2.556536 CC(=O)CCOCc1cccc2c1cccc2 7a_100011216843_100000053229 [0,0,0,0,0,2|1,0,0]=3 6487 B18R2.556536 CC(=O)CCOCc1cccc2c1ccnc2 34a_100000759926_100016989825 [0,0,0,0,0,2|2,0,0]=4 6488 B18R2.556536 CC(=O)CCOCc1cccc2c1ccnc2 7a_100000759926_100016989825 [0,0,0,0,0,2|2,0,0]=4 6489 B18R2.556536 CC(=O)CCOCc1cccc2c1nccc2 34a_100000759926_100000241032 [0,0,0,0,0,2|2,0,0]=4 6490 B18R2.556536 CC(=O)CCOCc1cccc2c1nccc2 7a_100000759926_100000241032 [0,0,0,0,0,2|2,0,0]=4 6491 B18R2.556536 CC(=O)CCOCc1ccnc2c1cccc2 34a_100000759926_100015192512 [0,0,0,0,0,2|2,0,0]=4 6492 B18R2.556536 CC(=O)CCOCc1ccnc2c1cccc2 7a_100000759926_100015192512 [0,0,0,0,0,2|2,0,0]=4 6493 B18R2.556536 CC(=O)CCOCc1nccc2c1cccc2 34a_100000759926_100000033776 [0,0,0,0,0,2|2,0,0]=4 6494 B18R2.556536 CC(=O)CCOCc1nccc2c1cccc2 7a_100000759926_100000033776 [0,0,0,0,0,2|2,0,0]=4 6495 B18R2.556536 CC(=O)CCSCc1cccc2c1cccc2 62a_100000053229_100000188474 [0,0,0,0,0,2|1,1,0]=4 6496 B18R2.556536 CC(=O)CCSCc1cccc2c1cccc2 62a_100011261445_100000053229 [0,0,0,0,0,2|1,1,0]=4 6497 B18R2.556536 CC(=O)COCCc1cccc2c1cccc2 34a_100000211253_100011290781 [0,0,0,0,0,2|1,0,0]=3 6498 B18R2.556536 CC(=O)NCCOc1cccc2c1cccc2 11a_100000742599_100015343762 [0,0,0,0,0,2|1,0,0]=3 6499 B18R2.556536 CC(=O)NCCOc1cccc2c1cccc2 1626a_100000742599_100015343762 [0,0,0,0,0,2|1,0,0]=3 6500 B18R2.556536 CC(=O)NCCOc1cccc2c1cccc2 240690a_100000742599_100015343762 [0,0,0,0,0,2|1,0,0]=3 6501 B18R2.556536 CC(=O)NCCOc1cccc2c1cccc2 527a_100000742599_100103153847 [0,0,0,0,0,2|1,0,0]=3 6502 B18R2.556536 CC(=O)NCCOc1cccc2c1cccc2 7a_100000210388_100000189650 [0,0,0,0,0,2|1,0,0]=3 6503 B18R2.556536 CC(=O)NCCOc1cncc2c1cccc2 7a_100000066178_100000189650 [0,0,0,0,0,2|2,0,0]=4 6504 B18R2.556536 CC(=O)NCCSc1cccc2c1cccc2 62a_100000189650_100000210605 [0,0,0,0,0,2|1,1,0]=4 6505 B18R2.556536 CC(=O)OCC=Cc1cccc2c1cccc2 271570a_200000047263_100000210605 [0,0,0,0,0,2|2,0,0]=4 6506 B18R2.556536 CC(=O)OCCNc1cccc2c1cccc2 34a_100000185869_100009814007 [0,0,0,0,0,2|2,0,0]=4 6507 B18R2.556536 CC(=O)OCCOc1cccc2c1cccc2 34a_100000210388_100009814007 [0,0,0,0,0,2|1,0,0]=3 6508 B18R2.556536 CC(=O)OCCOc1cccc2c1cccc2 7a_100000210388_100009814007 [0,0,0,0,0,2|1,0,0]=3 6509 B18R2.556536 CC(=O)OCCOc1cccc2c1cccn2 34a_100011197808_100009814007 [0,0,0,0,0,2|2,0,0]=4 6510 B18R2.556536 CC(=O)OCCOc1cccc2c1ccnc2 34a_100011218533_100009814007 [0,0,0,0,0,2|2,0,0]=4 6511 B18R2.556536 CC(=O)OCCOc1cccc2c1cncc2 34a_103624766955_100009814007 [0,0,0,0,0,2|2,0,0]=4 6512 B18R2.556536 CC(=O)OCCOc1cccc2c1nccc2 34a_100000056035_100009814007 [0,0,0,0,0,2|2,0,0]=4 6513 B18R2.556536 CC(=O)OCCOc1cncc2c1cccc2 34a_100000066178_100009814007 [0,0,0,0,0,2|2,0,0]=4 6514 B18R2.556536 CC(=O)OCCOc1cncc2c1cccc2 7a_100000066178_100009814007 [0,0,0,0,0,2|2,0,0]=4 6515 B18R2.556536 CC(=O)OCCOc1nccc2c1cccc2 34a_102531767632_100009814007 [0,0,0,0,0,2|2,0,0]=4 6516 B18R2.556536 CC(=O)OCCSc1cccc2c1cccc2 62a_100009814007_100000210605 [0,0,0,0,0,2|1,1,0]=4 6517 B18R2.556536 CC(=O)OCNCc1cccc2c1cccc2 34a_100000753325_100009813279 [0,0,0,0,0,2|2,0,0]=4 6518 B18R2.556536 CC(=O)OCOCc1cccc2c1cccc2 34a_100011216843_100009813279 [0,0,0,0,0,2|1,0,0]=3 6519 B18R2.556536 CC(=O)OCOCc1cccc2c1cccn2 34a_100000709871_100009813279 [0,0,0,0,0,2|2,0,0]=4 6520 B18R2.556536 CC(=O)OCOCc1cccc2c1nccc2 34a_100011303629_100009813279 [0,0,0,0,0,2|2,0,0]=4 6521 B18R2.556536 CC(=O)OCSCc1cccc2c1cccc2 62a_100000076356_100000188474 [0,0,0,0,0,2|1,1,0]=4 6522 B18R2.556536 CC(=O)OCSCc1cccc2c1cccc2 62a_100011261445_100000076356 [0,0,0,0,0,2|1,1,0]=4 6523 B18R2.556536 CC(O)CCCOc1cccc2c1cccc2 34a_100000210388_200000718107 [0,0,0,0,0,2|1,0,1]=4 6524 B18R2.556536 CC(O)CCCOc1cccc2c1cccc2 7a_100000210388_200000718107 [0,0,0,0,0,2|1,0,1]=4 6525 B18R2.556536 CC(O)CCOCc1cccc2c1cccc2 34a_100011216843_100012276601 [0,0,0,0,0,2|1,0,1]=4 6526 B18R2.556536 CC(O)CCOCc1cccc2c1cccc2 7a_100011216843_100012276601 [0,0,0,0,0,2|1,0,1]=4 6527 B18R2.556536 CC(O)COCCc1cccc2c1cccc2 34a_100011219628_100011218427 [0,0,0,0,0,2|1,0,1]=4 6528 B18R2.556536 CC(O)COCCc1cccc2c1cccc2 7a_100011219628_100011218427 [0,0,0,0,0,2|1,0,1]=4 6529 B18R2.556536 C[C@@H](O)COCCc1cccc2c1cccc2 34a_100011219628_100009817552 [0,0,0,0,0,2|1,0,1]=4 6530 B18R2.556536 C[C@@H](O)COCCc1cccc2c1cccc2 7a_100011219628_100009817552 [0,0,0,0,0,2|1,0,1]=4 6531 B18R2.556536 FC(=CCCOc1cccc2c1cccc2)F 34a_100000210388_200009816681 [0,0,0,0,0,2|2,0,0]=4 6532 B18R2.556536 FC(=CCCOc1cccc2c1cccc2)F 7a_100000210388_200009816681 [0,0,0,0,0,2|2,0,0]=4 6533 B18R2.556536 NC(=O)CCCNc1cccc2c1cccc2 34a_100000185869_100102525003 [0,0,0,0,0,2|2,0,0]=4 6534 B18R2.556536 NC(=O)CCCOc1cccc2c1cccc2 34a_100000210388_100102525003 [0,0,0,0,0,2|1,0,0]=3 6535 B18R2.556536 NC(=O)CCCOc1cccc2c1cccc2 7a_100000210388_100102525003 [0,0,0,0,0,2|1,0,0]=3 6536 B18R2.556536 NC(=O)CCCOc1cccc2c1cccn2 34a_100011197808_100102525003 [0,0,0,0,0,2|2,0,0]=4 6537 B18R2.556536 NC(=O)CCCOc1cccc2c1ccnc2 34a_100011218533_100102525003 [0,0,0,0,0,2|2,0,0]=4 6538 B18R2.556536 NC(=O)CCCOc1cccc2c1cncc2 34a_103624766955_100102525003 [0,0,0,0,0,2|2,0,0]=4 6539 B18R2.556536 NC(=O)CCCOc1cccc2c1nccc2 34a_100000056035_100102525003 [0,0,0,0,0,2|2,0,0]=4 6540 B18R2.556536 NC(=O)CCCOc1cncc2c1cccc2 34a_100000066178_100102525003 [0,0,0,0,0,2|2,0,0]=4 6541 B18R2.556536 NC(=O)CCCOc1cncc2c1cccc2 7a_100000066178_100102525003 [0,0,0,0,0,2|2,0,0]=4 6542 B18R2.556536 NC(=O)CCCOc1nccc2c1cccc2 34a_102531767632_100102525003 [0,0,0,0,0,2|2,0,0]=4 6543 B18R2.556536 NC(=O)CCCSc1cccc2c1cccc2 62a_100102525003_100000210605 [0,0,0,0,0,2|1,1,0]=4 6544 B18R2.556536 NC(=O)CCNCc1cccc2c1cccc2 207a_100000740010_100000210074 [0,0,0,0,0,2|2,0,0]=4 6545 B18R2.556536 NC(=O)CCNCc1cccc2c1cccc2 34a_100000753325_100000731001 [0,0,0,0,0,2|2,0,0]=4 6546 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 34a_100000757172_100011261445 [0,0,0,0,0,2|1,0,0]=3 6547 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 34a_100011216843_100000731001 [0,0,0,0,0,2|1,0,0]=3 6548 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 7a_100000757172_100011261445 [0,0,0,0,0,2|1,0,0]=3 6549 B18R2.556536 NC(=O)CCOCc1cccc2c1cccc2 7a_100011216843_100000744528 [0,0,0,0,0,2|1,0,0]=3 6550 B18R2.556536 NC(=O)CCOCc1cccc2c1cccn2 34a_100000709871_100000731001 [0,0,0,0,0,2|2,0,0]=4 6551 B18R2.556536 NC(=O)CCOCc1cccc2c1ccnc2 34a_100000757172_100016989825 [0,0,0,0,0,2|2,0,0]=4 6552 B18R2.556536 NC(=O)CCOCc1cccc2c1ccnc2 7a_100000757172_100016989825 [0,0,0,0,0,2|2,0,0]=4 6553 B18R2.556536 NC(=O)CCOCc1cccc2c1nccc2 34a_100000757172_100000241032 [0,0,0,0,0,2|2,0,0]=4 6554 B18R2.556536 NC(=O)CCOCc1cccc2c1nccc2 34a_100011303629_100000731001 [0,0,0,0,0,2|2,0,0]=4 6555 B18R2.556536 NC(=O)CCOCc1cccc2c1nccc2 7a_100000757172_100000241032 [0,0,0,0,0,2|2,0,0]=4 6556 B18R2.556536 NC(=O)CCOCc1ccnc2c1cccc2 34a_100000757172_100015192512 [0,0,0,0,0,2|2,0,0]=4 6557 B18R2.556536 NC(=O)CCOCc1ccnc2c1cccc2 7a_100000757172_100015192512 [0,0,0,0,0,2|2,0,0]=4 6558 B18R2.556536 NC(=O)CCOCc1nccc2c1cccc2 34a_100000757172_100000033776 [0,0,0,0,0,2|2,0,0]=4 6559 B18R2.556536 NC(=O)CCOCc1nccc2c1cccc2 7a_100000757172_100000033776 [0,0,0,0,0,2|2,0,0]=4 6560 B18R2.556536 NC(=O)CCSCc1cccc2c1cccc2 62a_100000744528_100000188474 [0,0,0,0,0,2|1,1,0]=4 6561 B18R2.556536 NC(=O)CCSCc1cccc2c1cccc2 62a_100011261445_100000744528 [0,0,0,0,0,2|1,1,0]=4 6562 B18R2.556536 NC(=O)CNCCc1cccc2c1cccc2 2230a_100000711301_100011290781 [0,0,0,0,0,2|2,0,0]=4 6563 B18R2.556536 NC(=O)CNCCc1cccc2c1cccc2 2230a_100000751862_100000747473 [0,0,0,0,0,2|2,0,0]=4 6564 B18R2.556536 NC(=O)CNCCc1cccc2c1cccc2 34a_100000751862_100000187820 [0,0,0,0,0,2|2,0,0]=4 6565 B18R2.556536 NC(=O)COCCc1cccc2c1cccc2 34a_100011219628_100000187820 [0,0,0,0,0,2|1,0,0]=3 6566 B18R2.556536 NC(=O)COCCc1cccc2c1cccc2 7a_100011219628_100000187820 [0,0,0,0,0,2|1,0,0]=3 6567 B18R2.556536 NC(=O)CSCCc1cccc2c1cccc2 62a_100000747473_100011290781 [0,0,0,0,0,2|1,1,0]=4 6568 B18R2.556536 NC(=O)CSCCc1cccc2c1cccc2 62a_100011290781_100000747473 [0,0,0,0,0,2|1,1,0]=4 6569 B18R2.556536 NC(=O)NCCOc1cccc2c1cccc2 7a_100000210388_200000034859 [0,0,0,0,0,2|1,0,0]=3 6570 B18R2.556536 NC(=O)NCCOc1cncc2c1cccc2 7a_100000066178_200000034859 [0,0,0,0,0,2|2,0,0]=4 6571 B18R2.556536 NC(=O)NCCSc1cccc2c1cccc2 62a_200000034859_100000210605 [0,0,0,0,0,2|1,1,0]=4 6572 B18R2.556536 NC(=O)OCCNc1cccc2c1cccc2 34a_100000185869_200011214921 [0,0,0,0,0,2|2,0,0]=4 6573 B18R2.556536 NC(=O)OCCOc1cccc2c1cccc2 34a_100000210388_200011214921 [0,0,0,0,0,2|1,0,0]=3 6574 B18R2.556536 NC(=O)OCCOc1cccc2c1cccc2 7a_100000210388_200011214921 [0,0,0,0,0,2|1,0,0]=3 6575 B18R2.556536 NC(=O)OCCOc1cccc2c1cccn2 34a_100011197808_200011214921 [0,0,0,0,0,2|2,0,0]=4 6576 B18R2.556536 NC(=O)OCCOc1cccc2c1ccnc2 34a_100011218533_200011214921 [0,0,0,0,0,2|2,0,0]=4 6577 B18R2.556536 NC(=O)OCCOc1cccc2c1cncc2 34a_103624766955_200011214921 [0,0,0,0,0,2|2,0,0]=4 6578 B18R2.556536 NC(=O)OCCOc1cccc2c1nccc2 34a_100000056035_200011214921 [0,0,0,0,0,2|2,0,0]=4 6579 B18R2.556536 NC(=O)OCCOc1cncc2c1cccc2 34a_100000066178_200011214921 [0,0,0,0,0,2|2,0,0]=4 6580 B18R2.556536 NC(=O)OCCOc1cncc2c1cccc2 7a_100000066178_200011214921 [0,0,0,0,0,2|2,0,0]=4 6581 B18R2.556536 NC(=O)OCCOc1nccc2c1cccc2 34a_102531767632_200011214921 [0,0,0,0,0,2|2,0,0]=4 6582 B18R2.556536 NC(=O)OCCSc1cccc2c1cccc2 62a_200011214921_100000210605 [0,0,0,0,0,2|1,1,0]=4 6583 B18R2.556536 O=C(O)CNCCc1cccc2c1cccc2 269956a_100016091260_100011290781 [0,0,0,0,0,2|1,0,0]=3 6584 B18R2.556536 O=C(O)CONCc1cccc2c1cccc2 269956a_100000106656_100000188474 [0,0,0,0,0,2|0,0,0]=2 6585 B18R2.556536 O=C(O)CONCc1cccc2c1ccnc2 269956a_100000106656_100016989825 [0,0,0,0,0,2|1,0,0]=3 6586 B18R2.556536 O=C(O)CONCc1cccc2c1nccc2 269956a_100000106656_100000241032 [0,0,0,0,0,2|1,0,0]=3 6587 B18R2.556536 O=C(O)CONCc1ccnc2c1cccc2 269956a_100000106656_100015192512 [0,0,0,0,0,2|1,0,0]=3 6588 B18R2.556536 O=C(O)CONCc1nccc2c1cccc2 269956a_100000106656_100000033776 [0,0,0,0,0,2|1,0,0]=3 6589 B18R2.556536 O=C([O-])CNCCc1cccc2c1cccc2 34a_100000751862_100020667443 [0,0,0,0,0,2|1,0,1]=4 6590 B18R2.556536 O=C([O-])COCCc1cccc2c1cccc2 34a_100011219628_100020667443 [0,0,0,0,0,2|0,0,1]=3 6591 B18R2.556536 O=C([O-])CSCCc1cccc2c1cccc2 62a_100011290781_100020667443 [0,0,0,0,0,2|0,1,1]=4 6592 B18R2.556536 O=C([O-])CSCCc1cccc2c1cccc2 62a_100020667443_100011290781 [0,0,0,0,0,2|0,1,1]=4 6593 B18R2.556536 O=[N+]([O-])COCCc1cccc2c1cccc2 34a_100011219628_100000761209 [0,0,0,0,0,2|1,0,1]=4 6594 B18R2.556536 OB(O)/C=C/COc1cccc2c1cccc2 34a_100000210388_100016262062 [0,0,0,0,0,2|1,0,1]=4 6595 B18R2.556536 OB(O)/C=C/COc1cccc2c1cccc2 7a_100000210388_100016262062 [0,0,0,0,0,2|1,0,1]=4