0 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,0,0,0,0,0|1,0,2]=3 21 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,0,0,0,0,0|1,0,2]=3 22 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,0,0,0,0,0|2,0,1]=3 27 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,0,0,0,0,0|2,0,1]=3 51 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,0,0,0,0,0|2,0,1]=3 52 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,0,0,0,0,0|2,0,1]=3 53 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.125 CC(C)C=Cc1ccccc1Br 271570a_100016257149_100000695589 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [0,0,0,0,0,0|3,0,1]=4 60 B12R1.125 CC(C)C=Cc1ccccc1F 271570a_100016257149_100011215700 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.125 CC(C)C=Cc1ccncc1O 271570a_100016257149_100009817591 [0,0,0,0,0,0|3,0,1]=4 64 B12R1.125 CC(C)C=Cc1ncccc1O 271570a_100016257149_100000034122 [0,0,0,0,0,0|3,0,1]=4 65 B12R1.125 CC(O)C=Cc1c[nH]ccc1=O 271570a_200011019289_100009998708 [0,0,0,0,0,0|2,0,2]=4 66 B12R1.125 CC(O)C=Cc1c[nH]ccc1=S 271570a_200011019289_200012280681 [0,0,0,0,0,0|2,1,1]=4 67 B12R1.125 CC(O)C=Cc1ccc[nH]c1=O 271570a_200011019289_100000050042 [0,0,0,0,0,0|2,0,2]=4 68 B12R1.125 CC(O)C=Cc1cccc[n+]1C 271570a_200011019289_100000212160 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.125 CC(O)C=Cc1cccc[n+]1[O-] 271570a_200011019289_200000042595 [0,0,0,0,0,0|2,0,2]=4 70 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [0,0,0,0,0,0|2,0,1]=3 71 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [0,0,0,0,0,0|2,0,1]=3 72 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [0,0,0,0,0,0|2,0,1]=3 73 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [0,0,0,0,0,0|2,0,1]=3 74 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [0,0,0,0,0,0|1,0,1]=2 75 B12R1.125 CC(O)C=Cc1cccnc1Br 271570a_200011019289_100010202626 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.125 CC(O)C=Cc1cccnc1Cl 271570a_200011019289_100000036424 [0,0,0,0,0,0|3,0,1]=4 77 B12R1.125 CC(O)C=Cc1cccnc1F 271570a_200011019289_100009816115 [0,0,0,0,0,0|3,0,1]=4 78 B12R1.125 CC(O)C=Cc1cccnc1N 271570a_200011019289_100000045569 [0,0,0,0,0,0|3,0,1]=4 79 B12R1.125 CC(O)C=Cc1ccncc1Br 271570a_200011019289_100000726257 [0,0,0,0,0,0|3,0,1]=4 80 B12R1.125 CC(O)C=Cc1ccncc1Cl 271570a_200011019289_100000708259 [0,0,0,0,0,0|3,0,1]=4 81 B12R1.125 CC(O)C=Cc1ccncc1F 271570a_200011019289_100000047030 [0,0,0,0,0,0|3,0,1]=4 82 B12R1.125 CC(O)C=Cc1ccncc1N 271570a_200011019289_100009815883 [0,0,0,0,0,0|3,0,1]=4 83 B12R1.125 CC(O)C=Cc1ccncc1O 271570a_200011019289_100009817591 [0,0,0,0,0,0|2,0,1]=3 84 B12R1.125 CC(O)C=Cc1cnccc1Br 271570a_200011019289_100010138639 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.125 CC(O)C=Cc1cnccc1Cl 271570a_200011019289_100009995489 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.125 CC(O)C=Cc1cnccc1F 271570a_200011019289_100009820683 [0,0,0,0,0,0|3,0,1]=4 87 B12R1.125 CC(O)C=Cc1cnccc1N 271570a_200011019289_100000047001 [0,0,0,0,0,0|3,0,1]=4 88 B12R1.125 CC(O)C=Cc1cncnc1O 271570a_200011019289_100000751107 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.125 CC(O)C=Cc1ncccc1Br 271570a_200011019289_100000696092 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.125 CC(O)C=Cc1ncccc1Cl 271570a_200011019289_100011356963 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.125 CC(O)C=Cc1ncccc1F 271570a_200011019289_100000685392 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.125 CC(O)C=Cc1ncccc1N 271570a_200011019289_100000688686 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.125 CC(O)C=Cc1ncccc1O 271570a_200011019289_100000034122 [0,0,0,0,0,0|2,0,1]=3 94 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,0,0,0,0,0|2,0,2]=4 95 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,0,0,0,0,0|2,0,2]=4 96 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,0,0,0,0,0|2,0,2]=4 98 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,0,0,0,0,0|2,0,2]=4 99 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,0,0,0,0,0|2,0,2]=4 100 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [0,0,0,0,0,0|3,0,1]=4 101 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [0,0,0,0,0,0|2,0,1]=3 102 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,0,0,0,0,0|2,0,2]=4 103 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,0,0,0,0,0|3,0,1]=4 104 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,0,0,0,0,0|2,0,2]=4 105 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,0,0,0,0,0|3,0,1]=4 106 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,0,0,0,0,0|3,0,1]=4 107 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,0,0,0,0,0|2,0,2]=4 109 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,0,0,0,0,0|3,0,1]=4 110 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,0,0,0,0,0|3,0,1]=4 111 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,0,0,0,0,0|3,0,1]=4 112 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,0,0,0,0,0|2,0,2]=4 113 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,0,0,0,0,0|2,0,2]=4 114 B12R1.125 Cc1cccnc1C=CC(C)O 271570a_200011019289_100000751373 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.125 Cc1ccncc1C=CC(C)O 271570a_200011019289_100000761580 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.125 Cc1cnccc1C=CC(C)O 271570a_200011019289_100015191297 [0,0,0,0,0,0|3,0,1]=4 117 B12R1.125 Cc1ncccc1C=CC(C)O 271570a_200011019289_100000751574 [0,0,0,0,0,0|3,0,1]=4 118 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,0,0,0,0,0|1,0,2]=3 119 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,0,0,0,0,0|3,0,1]=4 122 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,0,0,0,0,0|3,0,1]=4 123 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,0,0,0,0,0|2,0,1]=3 124 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,0,0,0,0,0|3,0,1]=4 131 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,0,0,0,0,0|3,0,1]=4 133 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,0,0,0,0,0|3,0,1]=4 134 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,0,0,0,0,0|2,0,1]=3 135 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,0,0,0,0,0|3,0,1]=4 143 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,0,0,0,0,0|2,0,1]=3 144 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,0,0,0,0,0|2,0,1]=3 145 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000747473_100000760158 [0,0,0,0,0,0|3,0,1]=4 146 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000760158_100000747473 [0,0,0,0,0,0|3,0,1]=4 147 B12R1.125 NC(=O)CSc1ccncc1O 62a_100000747473_100009817591 [0,0,0,0,0,0|3,0,1]=4 148 B12R1.125 NC(=O)CSc1ccncc1O 62a_100009817591_100000747473 [0,0,0,0,0,0|3,0,1]=4 149 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000034122_100000747473 [0,0,0,0,0,0|3,0,1]=4 150 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000747473_100000034122 [0,0,0,0,0,0|3,0,1]=4 151 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,0,0,0,0,0|2,0,2]=4 152 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,0,0,0,0,0|2,0,2]=4 153 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,0,0,0,0,0|2,0,2]=4 154 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,0,0,0,0,0|2,0,2]=4 155 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,0,0,0,0,0|2,0,2]=4 156 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,0,0,0,0,0|2,0,2]=4 157 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,0,0,0,0,0|2,0,2]=4 158 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,0,0,0,0,0|1,0,2]=3 159 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,0,0,0,0,0|2,0,2]=4 160 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,0,0,0,0,0|2,0,2]=4 161 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,0,0,0,0,0|2,0,2]=4 162 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,0,0,0,0,0|2,0,2]=4 163 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,0,0,0,0,0|2,0,2]=4 164 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,0,0,0,0,0|2,0,2]=4 165 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,0,0,0,0,0|2,0,2]=4 166 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,0,0,0,0,0|2,0,2]=4 167 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,0,0,0,0,0|2,0,2]=4 168 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,0,0,0,0,0|2,0,2]=4 169 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,0,0,0,0,0|1,0,2]=3 170 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,0,0,0,0,0|1,0,2]=3 171 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100000760158_100020667443 [0,0,0,0,0,0|2,0,2]=4 172 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100020667443_100000760158 [0,0,0,0,0,0|2,0,2]=4 173 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100009817591_100020667443 [0,0,0,0,0,0|2,0,2]=4 174 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100020667443_100009817591 [0,0,0,0,0,0|2,0,2]=4 175 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100000034122_100020667443 [0,0,0,0,0,0|2,0,2]=4 176 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100020667443_100000034122 [0,0,0,0,0,0|2,0,2]=4 177 B12R1.125 O=[N+]([O-])CNc1ccccc1O 34a_100000185747_100000761209 [0,0,0,0,0,0|2,0,2]=4 178 B12R1.125 O=[N+]([O-])CSc1ccccc1O 62a_100000739446_100000761209 [0,0,0,0,0,0|2,0,2]=4 179 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,0,0,0,0,0|2,0,2]=4 180 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,0,0,0,0,0|2,0,0]=2 181 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,0,0,0,0,0|2,0,0]=2 182 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,0,0,0,0,0|2,0,0]=2 183 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,0,0,0,0,0|1,0,0]=1 184 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,0,0,0,0,0|2,0,2]=4 185 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,0,0,0,0,0|2,0,2]=4 186 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,0,0,0,0,0|2,0,2]=4 187 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,0,0,0,0,0|2,0,2]=4 188 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,0,0,0,0,0|1,0,2]=3 189 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,0,0,0,0,0|3,0,1]=4 190 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,0,0,0,0,0|3,0,1]=4 191 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,0,0,0,0,0|3,0,1]=4 192 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,0,0,0,0,0|2,0,1]=3 193 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,0,0,0,0,0|3,0,1]=4 194 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,0,0,0,0,0|2,0,1]=3 195 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,0,0,0,0,0|2,0,1]=4 199 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,0,0,0,0,0|2,0,1]=4 200 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,0,0,0,0,0|2,0,1]=4 201 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,0,0,0,0,0|0,0,2]=3 208 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,0,0,0,0|1,0,1]=3 213 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,0,0,0,0,0|2,0,1]=4 216 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,0,0,0,0,0|2,0,1]=4 217 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,0,0,0,0,0|2,0,1]=4 221 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,0,0,0,0,0|2,0,1]=4 222 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,0,0,0,0,0|2,0,1]=4 224 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,0,0,0,0,0|1,0,1]=3 228 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,0,0,0,0,0|1,0,1]=3 229 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [1,0,0,0,0,0|2,0,1]=4 230 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [1,0,0,0,0,0|2,0,1]=4 231 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [1,0,0,0,0,0|2,0,1]=4 233 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [1,0,0,0,0,0|2,0,1]=4 234 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [1,0,0,0,0,0|2,0,1]=4 235 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,0,0,0,0,0|0,0,3]=4 236 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,0,0,0,0,0|0,0,3]=4 237 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,0,0,0,0,0|1,0,2]=4 238 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,0,0,0,0,0|1,0,2]=4 239 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,0,0,0,0,0|1,0,2]=4 240 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,0,0,0,0,0|1,0,2]=4 241 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,0,0,0,0,0|1,0,2]=4 242 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,0|1,0,2]=4 243 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,0|1,0,0]=2 244 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,0,0,0,0|2,0,0]=3 245 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,0,0,0,0|2,0,0]=3 246 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,0,0|2,0,0]=3 247 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,0|1,0,2]=4 248 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,0|1,0,2]=4 249 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,0|2,0,1]=4 250 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,0|2,0,1]=4 253 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,0|3,0,0]=4 256 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,0,0,0,0|1,0,1]=3 258 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [1,0,0,0,0,0|2,0,1]=4 259 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,0|2,0,1]=4 262 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 263 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 264 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,0|2,0,1]=4 265 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,0|2,0,1]=4 266 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,0|1,0,2]=4 267 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,0|1,0,2]=4 268 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,0|1,0,2]=4 269 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,0|1,0,2]=4 270 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,0|1,0,2]=4 271 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,0|1,0,0]=2 272 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,0,0,0,0|2,0,0]=3 273 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,0,0,0,0|2,0,0]=3 274 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,0,0|2,0,0]=3 275 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,0|1,0,2]=4 276 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,0|2,0,1]=4 277 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,0|2,0,1]=4 278 B13R1.90 CC(=O)C=Cc1ccccc1C#N 1458a_100016294624_200000210301 [0,1,0,0,0,0|2,0,0]=3 279 B13R1.90 CC(=O)COc1ccccc1CO 1458a_200011894254_200000210301 [0,1,0,0,0,0|2,0,1]=4 280 B13R1.90 CC(=O)NCc1ccccc1CO 240690a_100000743596_100015343762 [0,1,0,0,0,0|2,0,1]=4 281 B13R1.90 CC(=O)NCc1ccccc1CO 527a_100000743596_100103153847 [0,1,0,0,0,0|2,0,1]=4 282 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 34a_200011628774_200025704644 [0,1,0,0,0,0|2,0,1]=4 283 B13R1.90 CC(=O)NCc1ccccc1O[13CH3] 7a_200011628774_200025704644 [0,1,0,0,0,0|2,0,1]=4 284 B13R1.90 CC(C)C=Cc1ccccc1CO 271570a_100016257149_100000187465 [0,1,0,0,0,0|2,0,1]=4 285 B13R1.90 CC(O)C=Cc1ccccc1C#N 271570a_200011019289_100000188569 [0,1,0,0,0,0|2,0,1]=4 286 B13R1.90 CC(O)C=Cc1ccccc1C=O 271570a_200011019289_100000211189 [0,1,0,0,0,0|1,0,2]=4 287 B13R1.90 CC(O)C=Cc1ccccc1CN 271570a_200011019289_100000689332 [0,1,0,0,0,0|2,0,1]=4 288 B13R1.90 CC(O)C=Cc1ccccc1CO 271570a_200011019289_100000187465 [0,1,0,0,0,0|1,0,1]=3 289 B13R1.90 CC(O)C=Cc1ccccc1NN 271570a_200011019289_100000241748 [0,1,0,0,0,0|2,0,1]=4 290 B13R1.90 CC(O)C=Cc1cccnc1CO 271570a_200011019289_100011996772 [0,1,0,0,0,0|2,0,1]=4 291 B13R1.90 CC(O)C=Cc1ccncc1CO 271570a_200011019289_100000117392 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.90 CC(O)C=Cc1cnccc1CO 271570a_200011019289_100009873359 [0,1,0,0,0,0|2,0,1]=4 293 B13R1.90 CC(O)C=Cc1ncccc1CO 271570a_200011019289_100000748726 [0,1,0,0,0,0|2,0,1]=4 294 B13R1.90 CCc1ccccc1C=CC(C)O 271570a_200011019289_100011215823 [0,1,0,0,0,0|2,0,1]=4 295 B13R1.90 CNc1ccccc1C=CC(C)O 271570a_200011019289_100020606079 [0,1,0,0,0,0|2,0,1]=4 296 B13R1.90 COc1ccccc1C=CC(=O)C 1458a_100000182468_200000210301 [0,1,0,0,0,0|1,0,0]=2 297 B13R1.90 COc1ccccc1C=CC(=O)[13CH3] 1458a_100000182468_200025704644 [0,1,0,0,0,0|1,0,0]=2 298 B13R1.90 COc1ccccc1C=CC(C)C 271570a_100016257149_100000174000 [0,1,0,0,0,0|2,0,1]=4 299 B13R1.90 COc1ccccc1C=CC(C)O 271570a_200011019289_100000174000 [0,1,0,0,0,0|1,0,1]=3 300 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [0,1,0,0,0,0|1,0,2]=4 301 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [0,1,0,0,0,0|1,0,2]=4 302 B13R1.90 COc1ccccc1CCC(=O)N 34a_100011200845_200000210301 [0,1,0,0,0,0|1,0,2]=4 303 B13R1.90 COc1ccccc1CCC(=O)N 7a_100011200845_200000210301 [0,1,0,0,0,0|1,0,2]=4 304 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [0,1,0,0,0,0|1,0,2]=4 305 B13R1.90 COc1ccccc1CNC(=O)C 11a_100000188900_100015343762 [0,1,0,0,0,0|2,0,1]=4 306 B13R1.90 COc1ccccc1CNC(=O)C 1626a_100000188900_100015343762 [0,1,0,0,0,0|2,0,1]=4 307 B13R1.90 COc1ccccc1CNC(=O)C 240690a_100000188900_100015343762 [0,1,0,0,0,0|2,0,1]=4 308 B13R1.90 COc1ccccc1CNC(=O)C 34a_200011628774_200000210301 [0,1,0,0,0,0|2,0,1]=4 309 B13R1.90 COc1ccccc1CNC(=O)C 527a_100000188900_100103153847 [0,1,0,0,0,0|2,0,1]=4 310 B13R1.90 COc1ccccc1CNC(=O)C 7a_200011628774_200000210301 [0,1,0,0,0,0|2,0,1]=4 311 B13R1.90 COc1ccccc1NCC(=O)N 34a_100000210025_100000187820 [0,1,0,0,0,0|2,0,1]=4 312 B13R1.90 COc1ccccc1NCC(=O)[O-] 34a_100000210025_100020667443 [0,1,0,0,0,0|1,0,2]=4 313 B13R1.90 COc1ccccc1NNC(=O)C 22a_100000751209_100000070787 [0,1,0,0,0,0|3,0,0]=4 314 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [0,1,0,0,0,0|2,0,1]=4 315 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [0,1,0,0,0,0|2,0,1]=4 316 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [0,1,0,0,0,0|2,0,1]=4 317 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [0,1,0,0,0,0|2,0,1]=4 318 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [0,1,0,0,0,0|1,0,2]=4 319 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000210334_100000747473 [0,1,0,0,0,0|2,0,1]=4 320 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000747473_100000210334 [0,1,0,0,0,0|2,0,1]=4 321 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100000210334_100020667443 [0,1,0,0,0,0|1,0,2]=4 322 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210334 [0,1,0,0,0,0|1,0,2]=4 323 B13R1.90 COc1cccnc1C=CC(C)O 271570a_200011019289_100000690851 [0,1,0,0,0,0|2,0,1]=4 324 B13R1.90 COc1ccncc1C=CC(C)O 271570a_200011019289_100011997281 [0,1,0,0,0,0|2,0,1]=4 325 B13R1.90 COc1cnccc1C=CC(C)O 271570a_200011019289_100016988167 [0,1,0,0,0,0|2,0,1]=4 326 B13R1.90 COc1ncccc1C=CC(=O)C 1458a_100102601226_200000210301 [0,1,0,0,0,0|2,0,0]=3 327 B13R1.90 COc1ncccc1C=CC(=O)[13CH3] 1458a_100102601226_200025704644 [0,1,0,0,0,0|2,0,0]=3 328 B13R1.90 COc1ncccc1C=CC(C)O 271570a_200011019289_100000047025 [0,1,0,0,0,0|2,0,1]=4 329 B13R1.90 CSc1ccccc1C=CC(C)O 271570a_200011019289_100011217816 [0,1,0,0,0,0|1,1,1]=4 330 B13R1.90 NC(=O)CNc1ccccc1CO 34a_100000212039_100000187820 [0,1,0,0,0,0|2,0,1]=4 331 B13R1.90 NC(=O)COc1ccccc1CO 34a_100011216872_100000187820 [0,1,0,0,0,0|2,0,1]=4 332 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000187465_100000747473 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000747473_100000187465 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.90 O=C([O-])CNc1ccccc1CO 34a_100000212039_100020667443 [0,1,0,0,0,0|1,0,2]=4 335 B13R1.90 O=C([O-])COc1ccccc1CO 34a_100011216872_100020667443 [0,1,0,0,0,0|1,0,2]=4 336 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100000187465_100020667443 [0,1,0,0,0,0|1,0,2]=4 337 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100020667443_100000187465 [0,1,0,0,0,0|1,0,2]=4 338 B13R1.90 [13CH3]C(=O)C=Cc1ccccc1C#N 1458a_100016294624_200025704644 [0,1,0,0,0,0|2,0,0]=3 339 B13R1.90 [13CH3]C(=O)COc1ccccc1CO 1458a_200011894254_200025704644 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 34a_100011200845_200025704644 [0,1,0,0,0,0|1,0,2]=4 341 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 7a_100011200845_200025704644 [0,1,0,0,0,0|1,0,2]=4 342 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.150 CC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_200000210301 [0,1,0,0,0,0|2,0,0]=3 344 B13R1.150 CC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200000210301 [0,1,0,0,0,0|2,0,0]=3 345 B13R1.150 CC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200000210301 [0,1,0,0,0,0|2,0,0]=3 346 B13R1.150 CC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200000210301 [0,1,0,0,0,0|2,0,0]=3 347 B13R1.150 CC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [0,1,0,0,0,0|1,0,2]=4 349 B13R1.150 CC(=O)NCc1cccc(c1O)C 11a_100020639391_100015343762 [0,1,0,0,0,0|2,0,1]=4 350 B13R1.150 CC(=O)NCc1cccc(c1O)C 240690a_100020639391_100015343762 [0,1,0,0,0,0|2,0,1]=4 351 B13R1.150 CC(=O)NCc1cccc(c1O)C 527a_100020639391_100103153847 [0,1,0,0,0,0|2,0,1]=4 352 B13R1.150 CC(C)C=Cc1cccc(c1O)Br 271570a_100016257149_100010084509 [0,1,0,0,0,0|2,0,1]=4 353 B13R1.150 CC(C)C=Cc1cccc(c1O)Cl 271570a_100016257149_100010202889 [0,1,0,0,0,0|2,0,1]=4 354 B13R1.150 CC(C)C=Cc1cccc(c1O)F 271570a_100016257149_100009813666 [0,1,0,0,0,0|2,0,1]=4 355 B13R1.150 CC(C)C=Cc1cccc(c1O)N 271570a_100016257149_100011934915 [0,1,0,0,0,0|2,0,1]=4 356 B13R1.150 CC(C)C=Cc1cccc(c1O)O 271570a_100016257149_100009815950 [0,1,0,0,0,0|2,0,1]=4 357 B13R1.150 CC(O)C=Cc1cccc(c1Br)O 271570a_200011019289_100010187914 [0,1,0,0,0,0|2,0,1]=4 358 B13R1.150 CC(O)C=Cc1cccc(c1Cl)Br 271570a_200011019289_100010142854 [0,1,0,0,0,0|2,0,1]=4 359 B13R1.150 CC(O)C=Cc1cccc(c1Cl)Cl 271570a_200011019289_100011215384 [0,1,0,0,0,0|2,0,1]=4 360 B13R1.150 CC(O)C=Cc1cccc(c1Cl)F 271570a_200011019289_200010234923 [0,1,0,0,0,0|2,0,1]=4 361 B13R1.150 CC(O)C=Cc1cccc(c1Cl)O 271570a_200011019289_100000049636 [0,1,0,0,0,0|2,0,1]=4 362 B13R1.150 CC(O)C=Cc1cccc(c1F)Br 271570a_200011019289_100000702267 [0,1,0,0,0,0|2,0,1]=4 363 B13R1.150 CC(O)C=Cc1cccc(c1F)Cl 271570a_200011019289_100011217346 [0,1,0,0,0,0|2,0,1]=4 364 B13R1.150 CC(O)C=Cc1cccc(c1F)F 271570a_200011019289_100000694657 [0,1,0,0,0,0|2,0,1]=4 365 B13R1.150 CC(O)C=Cc1cccc(c1F)N 271570a_200011019289_100011935091 [0,1,0,0,0,0|2,0,1]=4 366 B13R1.150 CC(O)C=Cc1cccc(c1F)O 271570a_200011019289_100009817021 [0,1,0,0,0,0|2,0,1]=4 367 B13R1.150 CC(O)C=Cc1cccc(c1N)Br 271570a_200011019289_100010146558 [0,1,0,0,0,0|2,0,1]=4 368 B13R1.150 CC(O)C=Cc1cccc(c1N)Cl 271570a_200011019289_100010190421 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.150 CC(O)C=Cc1cccc(c1N)F 271570a_200011019289_100000042321 [0,1,0,0,0,0|2,0,1]=4 370 B13R1.150 CC(O)C=Cc1cccc(c1N)N 271570a_200011019289_100015191791 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.150 CC(O)C=Cc1cccc(c1N)O 271570a_200011019289_100011934926 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.150 CC(O)C=Cc1cccc(c1O)Br 271570a_200011019289_100010084509 [0,1,0,0,0,0|1,0,1]=3 373 B13R1.150 CC(O)C=Cc1cccc(c1O)Cl 271570a_200011019289_100010202889 [0,1,0,0,0,0|1,0,1]=3 374 B13R1.150 CC(O)C=Cc1cccc(c1O)F 271570a_200011019289_100009813666 [0,1,0,0,0,0|1,0,1]=3 375 B13R1.150 CC(O)C=Cc1cccc(c1O)N 271570a_200011019289_100011934915 [0,1,0,0,0,0|1,0,1]=3 376 B13R1.150 CC(O)C=Cc1cccc(c1O)O 271570a_200011019289_100009815950 [0,1,0,0,0,0|1,0,1]=3 377 B13R1.150 CC(O)C=Cc1nccc(c1O)F 271570a_200011019289_100009867227 [0,1,0,0,0,0|2,0,1]=4 378 B13R1.150 Cc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526135_200025704644 [0,1,0,0,0,0|2,0,0]=3 379 B13R1.150 Cc1c(cccc1C=CC(C)O)Br 271570a_200011019289_100012353703 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.150 Cc1c(cccc1C=CC(C)O)Cl 271570a_200011019289_100000726075 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.150 Cc1c(cccc1C=CC(C)O)F 271570a_200011019289_100011216893 [0,1,0,0,0,0|2,0,1]=4 382 B13R1.150 Cc1c(cccc1C=CC(C)O)N 271570a_200011019289_100000761887 [0,1,0,0,0,0|2,0,1]=4 383 B13R1.150 Cc1c(cccc1C=CC(C)O)O 271570a_200011019289_100012002258 [0,1,0,0,0,0|2,0,1]=4 384 B13R1.150 Cc1cccc(c1C)C=CC(C)O 271570a_200011019289_100011214922 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.150 Cc1cccc(c1Cl)C=CC(C)O 271570a_200011019289_200012352035 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.150 Cc1cccc(c1F)C=CC(C)O 271570a_200011019289_100000717567 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.150 Cc1cccc(c1N)C=CC(C)O 271570a_200011019289_100011834072 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.150 Cc1cccc(c1O)C=CC(C)C 271570a_100016257149_100009817157 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.150 Cc1cccc(c1O)C=CC(C)O 271570a_200011019289_100009817157 [0,1,0,0,0,0|1,0,1]=3 390 B13R1.150 Cc1cccc(c1O)NCC(=O)N 34a_100000756359_100000187820 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.150 Cc1cccc(c1O)NCC(=O)[O-] 34a_100000756359_100020667443 [0,1,0,0,0,0|1,0,2]=4 392 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100000747473_100009817157 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100009817157_100000747473 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100009817157_100020667443 [0,1,0,0,0,0|1,0,2]=4 395 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100009817157 [0,1,0,0,0,0|1,0,2]=4 396 B13R1.150 Cc1ccnc(c1O)C=CC(C)O 271570a_200011019289_100000696282 [0,1,0,0,0,0|2,0,1]=4 397 B13R1.150 NC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000187820 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.150 NC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000187820 [0,1,0,0,0,0|2,0,1]=4 399 B13R1.150 NC(=O)CNc1cccc(c1O)F 34a_100011934987_100000187820 [0,1,0,0,0,0|2,0,1]=4 400 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100000747473_100010084509 [0,1,0,0,0,0|2,0,1]=4 401 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000747473 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100000747473_100010202889 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000747473 [0,1,0,0,0,0|2,0,1]=4 404 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100000747473_100009813666 [0,1,0,0,0,0|2,0,1]=4 405 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100009813666_100000747473 [0,1,0,0,0,0|2,0,1]=4 406 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100000747473_100010084371 [0,1,0,0,0,0|2,0,1]=4 407 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100011934915_100000747473 [0,1,0,0,0,0|2,0,1]=4 408 B13R1.150 NC(=O)CSc1cccc(c1O)O 62a_100000747473_100009815950 [0,1,0,0,0,0|2,0,1]=4 409 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100011934915_100020667443 [0,1,0,0,0,0|1,0,2]=4 410 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100010084371 [0,1,0,0,0,0|1,0,2]=4 411 B13R1.150 O=C([O-])CNc1cccc(c1O)Br 34a_100011934915_100020667443 [0,1,0,0,0,0|1,0,2]=4 412 B13R1.150 O=C([O-])CNc1cccc(c1O)Cl 34a_100000754742_100020667443 [0,1,0,0,0,0|1,0,2]=4 413 B13R1.150 O=C([O-])CNc1cccc(c1O)F 34a_100011934987_100020667443 [0,1,0,0,0,0|1,0,2]=4 414 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100010084509_100020667443 [0,1,0,0,0,0|1,0,2]=4 415 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100020667443_100010084509 [0,1,0,0,0,0|1,0,2]=4 416 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100010202889_100020667443 [0,1,0,0,0,0|1,0,2]=4 417 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100020667443_100010202889 [0,1,0,0,0,0|1,0,2]=4 418 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100009813666_100020667443 [0,1,0,0,0,0|1,0,2]=4 419 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100020667443_100009813666 [0,1,0,0,0,0|1,0,2]=4 420 B13R1.150 O=C([O-])CSc1cccc(c1O)O 62a_100020667443_100009815950 [0,1,0,0,0,0|1,0,2]=4 421 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_200025704644 [0,1,0,0,0,0|2,0,0]=3 422 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_200025704644 [0,1,0,0,0,0|2,0,0]=3 423 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_200025704644 [0,1,0,0,0,0|2,0,0]=3 424 B13R1.150 [13CH3]C(=O)C=Cc1cccc(c1F)F 1458a_100102526107_200025704644 [0,1,0,0,0,0|2,0,0]=3 425 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [0,1,0,0,0,0|1,0,2]=4 426 B13R1.157 CC(C)(C)C=Cc1ccccc1O 271570a_100102527731_100000739446 [0,1,0,0,0,0|2,0,1]=4 427 B13R1.157 CC(C)(O)C=Cc1ccccc1Br 271570a_200016258132_100000695589 [0,1,0,0,0,0|2,0,1]=4 428 B13R1.157 CC(C)(O)C=Cc1ccccc1Cl 271570a_200016258132_100000764095 [0,1,0,0,0,0|2,0,1]=4 429 B13R1.157 CC(C)(O)C=Cc1ccccc1F 271570a_200016258132_100011215700 [0,1,0,0,0,0|2,0,1]=4 430 B13R1.157 CC(C)(O)C=Cc1ccccc1N 271570a_200016258132_100000210017 [0,1,0,0,0,0|2,0,1]=4 431 B13R1.157 CC(C)(O)C=Cc1ccccc1O 271570a_200016258132_100000739446 [0,1,0,0,0,0|1,0,1]=3 432 B13R1.157 CC(C)(O)C=Cc1ccncc1O 271570a_200016258132_100009817591 [0,1,0,0,0,0|2,0,1]=4 433 B13R1.157 CC(C)(O)C=Cc1ncccc1O 271570a_200016258132_100000034122 [0,1,0,0,0,0|2,0,1]=4 434 B13R1.157 Cc1ccccc1C=CC(C)(C)O 271570a_200016258132_100000210755 [0,1,0,0,0,0|2,0,1]=4 435 B13R1.164 CC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200000210301 [0,1,0,0,0,0|2,0,0]=3 436 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B13R1.164 CC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B13R1.164 CC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200000210301 [0,1,0,0,0,0|2,0,0]=3 441 B13R1.164 CC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200000210301 [0,1,0,0,0,0|2,0,0]=3 442 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,1,0,0,0,0|1,0,2]=4 443 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,1,0,0,0,0|2,0,1]=4 444 B13R1.164 CC(C)C=Cc1ccc(cc1O)Br 271570a_100016257149_100012344904 [0,1,0,0,0,0|2,0,1]=4 445 B13R1.164 CC(C)C=Cc1ccc(cc1O)Cl 271570a_100016257149_100000050036 [0,1,0,0,0,0|2,0,1]=4 446 B13R1.164 CC(C)C=Cc1ccc(cc1O)F 271570a_100016257149_100000690578 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.164 CC(C)C=Cc1ccc(cc1O)O 271570a_100016257149_100009813921 [0,1,0,0,0,0|2,0,1]=4 448 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Br 271570a_200011019289_100011484698 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.164 CC(O)C=Cc1ccc(cc1Br)Cl 271570a_200011019289_100011219703 [0,1,0,0,0,0|2,0,1]=4 450 B13R1.164 CC(O)C=Cc1ccc(cc1Br)F 271570a_200011019289_100011217111 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.164 CC(O)C=Cc1ccc(cc1Br)N 271570a_200011019289_100000750458 [0,1,0,0,0,0|2,0,1]=4 452 B13R1.164 CC(O)C=Cc1ccc(cc1Br)O 271570a_200011019289_100000701344 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Br 271570a_200011019289_100011216062 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)Cl 271570a_200011019289_100000699841 [0,1,0,0,0,0|2,0,1]=4 455 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)F 271570a_200011019289_100000733362 [0,1,0,0,0,0|2,0,1]=4 456 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)N 271570a_200011019289_100000761885 [0,1,0,0,0,0|2,0,1]=4 457 B13R1.164 CC(O)C=Cc1ccc(cc1Cl)O 271570a_200011019289_100000047559 [0,1,0,0,0,0|2,0,1]=4 458 B13R1.164 CC(O)C=Cc1ccc(cc1F)Br 271570a_200011019289_100009814013 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.164 CC(O)C=Cc1ccc(cc1F)Cl 271570a_200011019289_100011216042 [0,1,0,0,0,0|2,0,1]=4 460 B13R1.164 CC(O)C=Cc1ccc(cc1F)F 271570a_200011019289_100000750030 [0,1,0,0,0,0|2,0,1]=4 461 B13R1.164 CC(O)C=Cc1ccc(cc1F)N 271570a_200011019289_100011356925 [0,1,0,0,0,0|2,0,1]=4 462 B13R1.164 CC(O)C=Cc1ccc(cc1F)O 271570a_200011019289_100000755031 [0,1,0,0,0,0|2,0,1]=4 463 B13R1.164 CC(O)C=Cc1ccc(cc1N)Br 271570a_200011019289_100000743836 [0,1,0,0,0,0|2,0,1]=4 464 B13R1.164 CC(O)C=Cc1ccc(cc1N)Cl 271570a_200011019289_100000761886 [0,1,0,0,0,0|2,0,1]=4 465 B13R1.164 CC(O)C=Cc1ccc(cc1N)F 271570a_200011019289_100011218093 [0,1,0,0,0,0|2,0,1]=4 466 B13R1.164 CC(O)C=Cc1ccc(cc1N)N 271570a_200011019289_200012175722 [0,1,0,0,0,0|2,0,1]=4 467 B13R1.164 CC(O)C=Cc1ccc(cc1N)O 271570a_200011019289_100011999798 [0,1,0,0,0,0|2,0,1]=4 468 B13R1.164 CC(O)C=Cc1ccc(cc1O)Br 271570a_200011019289_100012344904 [0,1,0,0,0,0|1,0,1]=3 469 B13R1.164 CC(O)C=Cc1ccc(cc1O)Cl 271570a_200011019289_100000050036 [0,1,0,0,0,0|1,0,1]=3 470 B13R1.164 CC(O)C=Cc1ccc(cc1O)F 271570a_200011019289_100000690578 [0,1,0,0,0,0|1,0,1]=3 471 B13R1.164 CC(O)C=Cc1ccc(cc1O)O 271570a_200011019289_100009813921 [0,1,0,0,0,0|1,0,1]=3 472 B13R1.164 CC(O)C=Cc1ncc(cc1O)Br 271570a_200011019289_100010210634 [0,1,0,0,0,0|2,0,1]=4 473 B13R1.164 CC(O)C=Cc1ncc(cc1O)Cl 271570a_200011019289_100010233512 [0,1,0,0,0,0|2,0,1]=4 474 B13R1.164 CC(O)C=Cc1ncc(cc1O)F 271570a_200011019289_100000079967 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.164 Cc1cc(c(cn1)C=CC(C)O)O 271570a_200011019289_100011016184 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.164 Cc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100000701812 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.164 Cc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100011219607 [0,1,0,0,0,0|2,0,1]=4 478 B13R1.164 Cc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100011205405 [0,1,0,0,0,0|2,0,1]=4 479 B13R1.164 Cc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000210723 [0,1,0,0,0,0|2,0,1]=4 480 B13R1.164 Cc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100000729255 [0,1,0,0,0,0|2,0,1]=4 481 B13R1.164 Cc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100009813563 [0,1,0,0,0,0|2,0,1]=4 482 B13R1.164 Cc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100011217332 [0,1,0,0,0,0|2,0,1]=4 483 B13R1.164 Cc1ccc(c(c1)Cl)C=CC(C)O 271570a_200011019289_100011263221 [0,1,0,0,0,0|2,0,1]=4 484 B13R1.164 Cc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100011216119 [0,1,0,0,0,0|2,0,1]=4 485 B13R1.164 Cc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100011216686 [0,1,0,0,0,0|2,0,1]=4 486 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)C 271570a_100016257149_100012002257 [0,1,0,0,0,0|2,0,1]=4 487 B13R1.164 Cc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100012002257 [0,1,0,0,0,0|1,0,1]=3 488 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)N 34a_100000211527_100000187820 [0,1,0,0,0,0|2,0,1]=4 489 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)[O-] 34a_100000211527_100020667443 [0,1,0,0,0,0|1,0,2]=4 490 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,1,0,0,0,0|2,0,1]=4 491 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100012002257 [0,1,0,0,0,0|2,0,1]=4 492 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100012002257_100000747473 [0,1,0,0,0,0|2,0,1]=4 493 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100012002257_100020667443 [0,1,0,0,0,0|1,0,2]=4 494 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100012002257 [0,1,0,0,0,0|1,0,2]=4 495 B13R1.164 Cc1ccc(c(n1)O)C=CC(C)O 271570a_200011019289_100009817604 [0,1,0,0,0,0|2,0,1]=4 496 B13R1.164 Cc1cnc(c(c1)O)C=CC(C)O 271570a_200011019289_100012000487 [0,1,0,0,0,0|2,0,1]=4 497 B13R1.164 NC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000187820 [0,1,0,0,0,0|2,0,1]=4 498 B13R1.164 NC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000187820 [0,1,0,0,0,0|2,0,1]=4 499 B13R1.164 NC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000187820 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.164 NC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000187820 [0,1,0,0,0,0|2,0,1]=4 501 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100000747473_100012344904 [0,1,0,0,0,0|2,0,1]=4 502 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747473 [0,1,0,0,0,0|2,0,1]=4 503 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747473 [0,1,0,0,0,0|2,0,1]=4 504 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000747473_100000050036 [0,1,0,0,0,0|2,0,1]=4 505 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747473 [0,1,0,0,0,0|2,0,1]=4 506 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000747473_100000690578 [0,1,0,0,0,0|2,0,1]=4 507 B13R1.164 NC(=O)CSc1ccc(cc1O)O 62a_100000747473_100009813921 [0,1,0,0,0,0|2,0,1]=4 508 B13R1.164 O=C([O-])CNc1ccc(cc1O)Br 34a_100000739049_100020667443 [0,1,0,0,0,0|1,0,2]=4 509 B13R1.164 O=C([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100020667443 [0,1,0,0,0,0|1,0,2]=4 510 B13R1.164 O=C([O-])CNc1ccc(cc1O)F 34a_100000753323_100020667443 [0,1,0,0,0,0|1,0,2]=4 511 B13R1.164 O=C([O-])CNc1ccc(cc1O)O 34a_100000106777_100020667443 [0,1,0,0,0,0|1,0,2]=4 512 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100012344904_100020667443 [0,1,0,0,0,0|1,0,2]=4 513 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100020667443_100012344904 [0,1,0,0,0,0|1,0,2]=4 514 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100000050036_100020667443 [0,1,0,0,0,0|1,0,2]=4 515 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100020667443_100000050036 [0,1,0,0,0,0|1,0,2]=4 516 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100000690578_100020667443 [0,1,0,0,0,0|1,0,2]=4 517 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100020667443_100000690578 [0,1,0,0,0,0|1,0,2]=4 518 B13R1.164 O=C([O-])CSc1ccc(cc1O)O 62a_100020667443_100009813921 [0,1,0,0,0,0|1,0,2]=4 519 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_200025704644 [0,1,0,0,0,0|2,0,0]=3 521 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_200025704644 [0,1,0,0,0,0|2,0,0]=3 522 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_200025704644 [0,1,0,0,0,0|2,0,0]=3 524 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_200025704644 [0,1,0,0,0,0|2,0,0]=3 525 B13R1.164 [13CH3]C(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_200025704644 [0,1,0,0,0,0|2,0,0]=3 526 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,1,0,0,0,0|1,0,2]=4 527 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,1,0,0,0,0|2,0,1]=4 529 B13R1.201 C=C(F)CC(=O)c1ccccc1O 1458a_100015234032_100009893438 [0,1,0,0,0,0|2,0,1]=4 530 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,1,0,0,0,0|2,0,1]=4 532 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,1,0,0,0,0|1,0,1]=3 535 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,1,0,0,0,0|1,0,1]=3 536 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100015343762 [0,1,0,0,0,0|2,0,1]=4 537 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100103153847 [0,1,0,0,0,0|2,0,1]=4 538 B13R1.201 CC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218427 [0,1,0,0,0,0|1,0,2]=4 539 B13R1.201 CN(CC(=O)N)c1ccccc1O 269982a_100000033821_100000187820 [0,1,0,0,0,0|2,0,1]=4 540 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,1,0,0,0,0|2,0,1]=4 541 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,1,0,0,0,0|2,0,1]=4 542 B13R1.201 CN(CC(=O)[O-])c1ccccc1O 269982a_100000033821_100020667443 [0,1,0,0,0,0|1,0,2]=4 543 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,1,0,0,0,0|2,0,1]=4 544 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [0,1,0,0,0,0|1,0,2]=4 545 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,1,0,0,0,0|2,0,1]=4 546 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,1,0,0,0,0|2,0,1]=4 547 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,1,0,0,0,0|2,0,1]=4 548 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,1,0,0,0,0|2,0,1]=4 549 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,1,0,0,0,0|1,0,1]=3 552 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,1,0,0,0,0|1,0,2]=4 553 B13R1.201 O=C(C[N+](=O)[O-])c1ccccc1O 1458a_100015234032_100000761209 [0,1,0,0,0,0|1,0,2]=4 554 B13R1.201 O=C([O-])CC(=O)c1ccccc1Br 1458a_100000188424_100020667443 [0,1,0,0,0,0|1,0,2]=4 555 B13R1.201 O=C([O-])CC(=O)c1ccccc1Cl 1458a_100000185844_100020667443 [0,1,0,0,0,0|1,0,2]=4 556 B13R1.201 O=C([O-])CC(=O)c1ccccc1F 1458a_100000188656_100020667443 [0,1,0,0,0,0|1,0,2]=4 557 B13R1.201 O=C([O-])CC(=O)c1ccccc1I 1458a_100000187884_100020667443 [0,1,0,0,0,0|1,0,2]=4 558 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,1,0,0,0,0|0,0,2]=3 559 B13R1.201 O=C([O-])CC(=O)c1ccccc1[O-] 1458a_100009911694_100020667443 [0,1,0,0,0,0|0,0,3]=4 560 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,1,0,0,0,0|2,0,1]=4 561 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,1,0,0,0,0|2,0,1]=4 562 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,0,0,0,0|3,0,0]=4 563 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,0,0,0,0|3,0,0]=4 564 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,0,0,0,0|3,0,0]=4 565 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,1,0,0,0,0|2,0,0]=3 566 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,1,0,0,0,0|2,0,0]=3 567 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,0,0,0,0|3,0,0]=4 568 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,0,0,0,0|3,0,0]=4 569 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100000739446_100009814033 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100009814033_100000739446 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.202 CC(=O)N(C)Cc1ccccc1O 240690a_100015189988_100015343762 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.202 CC(=O)N(C)Cc1ccccc1O 527a_100015189988_100103153847 [0,1,0,0,0,0|2,0,1]=4 573 B13R1.202 CC(Nc1ccccc1O)C(=O)N 34a_100000185747_100000702099 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [0,1,0,0,0,0|2,0,1]=4 575 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000702099_100000739446 [0,1,0,0,0,0|2,0,1]=4 576 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000739446_100000702099 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,0,0,0,0|2,0,1]=4 578 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,0,0,0,0|2,0,1]=4 579 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,0,0,0,0|3,0,0]=4 580 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,1,0,0,0,0|3,0,0]=4 582 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,0,0,0,0|3,0,0]=4 583 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,0,0,0,0|2,0,0]=3 584 B13R1.202 NC(=O)C(F)Nc1ccccc1O 34a_100000185747_100009813875 [0,1,0,0,0,0|2,0,1]=4 585 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100000739446_100009813875 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100009813875_100000739446 [0,1,0,0,0,0|2,0,1]=4 587 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,1,0,0,0,0|1,0,2]=4 588 B13R1.202 O=C([O-])C(F)Nc1ccccc1O 34a_100000185747_100020610796 [0,1,0,0,0,0|1,0,2]=4 589 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100000739446_100020610796 [0,1,0,0,0,0|1,0,2]=4 590 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100020610796_100000739446 [0,1,0,0,0,0|1,0,2]=4 591 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,0,0,0,0|3,0,0]=4 592 B13R1.528 C#CC(=O)CCc1ccccc1O 1458a_100000211873_100000722297 [0,1,0,0,0,0|1,0,2]=4 593 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [0,1,0,0,0,0|1,0,2]=4 594 B13R1.528 C=CC(=O)NCc1ccccc1O 240690a_100000185550_200121576911 [0,1,0,0,0,0|2,0,1]=4 595 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [0,1,0,0,0,0|2,0,0]=3 596 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [0,1,0,0,0,0|2,0,0]=3 597 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [0,1,0,0,0,0|2,0,0]=3 598 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,1,0,0,0,0|1,0,0]=2 599 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,1,0,0,0,0|1,0,2]=4 600 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,1,0,0,0,0|1,0,2]=4 601 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.528 CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210202 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000739446_100000747405 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000747405_100000739446 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.528 CCC(=O)NCc1ccccc1O 240690a_100000185550_100000210414 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.528 CCC(=O)NCc1ccccc1O 527a_100000185550_100000210414 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,1,0,0,0,0|2,0,0]=3 608 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,1,0,0,0,0|2,0,0]=3 609 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,1,0,0,0,0|2,0,0]=3 610 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,1,0,0,0,0|2,0,0]=3 611 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,1,0,0,0,0|2,0,0]=3 612 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,1,0,0,0,0|2,0,0]=3 613 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,1,0,0,0,0|2,0,0]=3 614 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,1,0,0,0,0|2,0,0]=3 615 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,1,0,0,0,0|2,0,0]=3 616 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,1,0,0,0,0|2,0,0]=3 617 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,1,0,0,0,0|1,0,2]=4 618 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,1,0,0,0,0|1,0,2]=4 619 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,1,0,0,0,0|1,0,2]=4 620 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,1,0,0,0,0|2,0,1]=4 621 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,1,0,0,0,0|2,0,1]=4 622 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,1,0,0,0,0|2,0,1]=4 623 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,1,0,0,0,0|2,0,1]=4 624 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,1,0,0,0,0|2,0,1]=4 625 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,1,0,0,0,0|2,0,1]=4 626 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,1,0,0,0,0|2,0,1]=4 628 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,1,0,0,0,0|2,0,1]=4 629 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,1,0,0,0,0|2,0,1]=4 630 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,1,0,0,0,0|2,0,1]=4 631 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,1,0,0,0,0|2,0,1]=4 632 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,1,0,0,0,0|2,0,1]=4 633 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,0,0,0,0|0,0,0]=1 634 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,1,0,0,0,0|0,0,2]=3 635 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,1,0,0,0,0|2,0,1]=4 636 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,1,0,0,0,0|2,0,1]=4 637 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,1,0,0,0,0|2,0,1]=4 638 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,1,0,0,0,0|2,0,1]=4 639 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,1,0,0,0,0|2,0,1]=4 640 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,1,0,0,0,0|1,0,1]=3 641 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,1,0,0,0,0|2,0,1]=4 642 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,1,0,0,0,0|2,0,1]=4 643 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,1,0,0,0,0|2,0,1]=4 644 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,1,0,0,0,0|2,0,1]=4 645 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,1,0,0,0,0|2,0,1]=4 646 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,1,0,0,0,0|2,0,1]=4 647 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,1,0,0,0,0|2,0,1]=4 648 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,1,0,0,0,0|1,0,1]=3 654 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [0,1,0,0,0,0|2,0,1]=4 662 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,1,0,0,0,0|2,0,1]=4 663 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,1,0,0,0,0|2,0,1]=4 664 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,1,0,0,0,0|1,0,1]=3 665 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,1,0,0,0,0|1,0,1]=3 666 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000747449_100000760158 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000760158_100000747449 [0,1,0,0,0,0|2,0,1]=4 668 B13R1.528 COC(=O)CSc1ccncc1O 62a_100000747449_100009817591 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.528 COC(=O)CSc1ccncc1O 62a_100009817591_100000747449 [0,1,0,0,0,0|2,0,1]=4 670 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000034122_100000747449 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000747449_100000034122 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,1,0,0,0,0|1,0,2]=4 673 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,1,0,0,0,0|2,0,1]=4 675 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,1,0,0,0,0|3,0,0]=4 676 B13R1.528 NNC(=O)COc1ccccc1O 271570a_203496583355_100025785231 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [0,1,0,0,0,0|2,0,0]=3 678 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [0,1,0,0,0,0|2,0,0]=3 679 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [0,1,0,0,0,0|2,0,0]=3 680 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,1,0,0,0,0|1,0,0]=2 681 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,1,0,0,0,0|1,0,2]=4 682 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.528 O=C(CF)CSc1ccccc1O 1458a_100000695322_100015361967 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,1,0,0,0,0|1,0,2]=4 685 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,1,0,0,0,0|1,0,2]=4 686 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,1,0,0,0,0|1,0,2]=4 687 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,1,0,0,0,0|0,0,2]=3 688 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,1,0,0,0,0|2,0,1]=4 692 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,1,0,0,0,0|2,0,1]=4 693 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,1,0,0,0,0|2,0,1]=4 694 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,1,0,0,0,0|1,0,1]=3 697 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,1,0,0,0,0|1,0,1]=3 698 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,1,0,0,0,0|3,0,0]=4 702 B13R1.893 CC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200000210301 [0,1,0,0,0,0|2,0,0]=3 703 B13R1.893 CC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200000210301 [0,1,0,0,0,0|2,0,0]=3 704 B13R1.893 CC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200000210301 [0,1,0,0,0,0|2,0,0]=3 705 B13R1.893 CC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_200000210301 [0,1,0,0,0,0|2,0,0]=3 706 B13R1.893 CC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200000210301 [0,1,0,0,0,0|2,0,0]=3 707 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 240690a_100000730032_100015343762 [0,1,0,0,0,0|2,0,1]=4 708 B13R1.893 CC(=O)NCc1cc(ccc1O)Br 527a_100000730032_100103153847 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 240690a_100000238540_100015343762 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.893 CC(=O)NCc1cc(ccc1O)Cl 527a_100000238540_100103153847 [0,1,0,0,0,0|2,0,1]=4 711 B13R1.893 CC(C)C=Cc1cc(ccc1O)Br 271570a_100016257149_100012355227 [0,1,0,0,0,0|2,0,1]=4 712 B13R1.893 CC(C)C=Cc1cc(ccc1O)Cl 271570a_100016257149_100011356953 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.893 CC(C)C=Cc1cc(ccc1O)F 271570a_100016257149_100000211999 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.893 CC(C)C=Cc1cc(ccc1O)N 271570a_100016257149_100011534360 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.893 CC(C)C=Cc1cc(ccc1O)O 271570a_100016257149_100009813629 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.893 CC(O)C=Cc1cc(ccc1Br)Br 271570a_200011019289_100011483371 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.893 CC(O)C=Cc1cc(ccc1Br)Cl 271570a_200011019289_100012339723 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.893 CC(O)C=Cc1cc(ccc1Br)F 271570a_200011019289_100011217576 [0,1,0,0,0,0|2,0,1]=4 719 B13R1.893 CC(O)C=Cc1cc(ccc1Br)N 271570a_200011019289_100000750459 [0,1,0,0,0,0|2,0,1]=4 720 B13R1.893 CC(O)C=Cc1cc(ccc1Br)O 271570a_200011019289_100012339312 [0,1,0,0,0,0|2,0,1]=4 721 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)Br 271570a_200011019289_100011772130 [0,1,0,0,0,0|2,0,1]=4 722 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)Cl 271570a_200011019289_100000707729 [0,1,0,0,0,0|2,0,1]=4 723 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)F 271570a_200011019289_100011217299 [0,1,0,0,0,0|2,0,1]=4 724 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)N 271570a_200011019289_100012360549 [0,1,0,0,0,0|2,0,1]=4 725 B13R1.893 CC(O)C=Cc1cc(ccc1Cl)O 271570a_200011019289_100000049588 [0,1,0,0,0,0|2,0,1]=4 726 B13R1.893 CC(O)C=Cc1cc(ccc1F)Br 271570a_200011019289_100011217312 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.893 CC(O)C=Cc1cc(ccc1F)Cl 271570a_200011019289_100011218116 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.893 CC(O)C=Cc1cc(ccc1F)F 271570a_200011019289_100000750033 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.893 CC(O)C=Cc1cc(ccc1F)N 271570a_200011019289_100000760356 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.893 CC(O)C=Cc1cc(ccc1F)O 271570a_200011019289_100000693481 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.893 CC(O)C=Cc1cc(ccc1N)Br 271570a_200011019289_100000187925 [0,1,0,0,0,0|2,0,1]=4 732 B13R1.893 CC(O)C=Cc1cc(ccc1N)Cl 271570a_200011019289_100000761889 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.893 CC(O)C=Cc1cc(ccc1N)F 271570a_200011019289_100000760547 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.893 CC(O)C=Cc1cc(ccc1N)N 271570a_200011019289_100011534242 [0,1,0,0,0,0|2,0,1]=4 735 B13R1.893 CC(O)C=Cc1cc(ccc1N)O 271570a_200011019289_100012001276 [0,1,0,0,0,0|2,0,1]=4 736 B13R1.893 CC(O)C=Cc1cc(ccc1O)Br 271570a_200011019289_100012355227 [0,1,0,0,0,0|1,0,1]=3 737 B13R1.893 CC(O)C=Cc1cc(ccc1O)Cl 271570a_200011019289_100011356953 [0,1,0,0,0,0|1,0,1]=3 738 B13R1.893 CC(O)C=Cc1cc(ccc1O)F 271570a_200011019289_100000211999 [0,1,0,0,0,0|1,0,1]=3 739 B13R1.893 CC(O)C=Cc1cc(ccc1O)N 271570a_200011019289_100011534360 [0,1,0,0,0,0|1,0,1]=3 740 B13R1.893 CC(O)C=Cc1cc(ccc1O)O 271570a_200011019289_100009813629 [0,1,0,0,0,0|1,0,1]=3 741 B13R1.893 CC(O)C=Cc1cc(cnc1O)Br 271570a_200011019289_100010197142 [0,1,0,0,0,0|2,0,1]=4 742 B13R1.893 CC(O)C=Cc1cc(cnc1O)Cl 271570a_200011019289_100010188700 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.893 CC(O)C=Cc1cc(ncc1O)Cl 271570a_200011019289_100000698892 [0,1,0,0,0,0|2,0,1]=4 744 B13R1.893 CC(O)C=Cc1nc(ccc1O)Br 271570a_200011019289_100010253912 [0,1,0,0,0,0|2,0,1]=4 745 B13R1.893 CC(O)C=Cc1nc(ccc1O)Cl 271570a_200011019289_100000696390 [0,1,0,0,0,0|2,0,1]=4 746 B13R1.893 CC(O)C=Cc1nc(ccc1O)F 271570a_200011019289_100010382442 [0,1,0,0,0,0|2,0,1]=4 747 B13R1.893 Cc1cc(c(cn1)O)C=CC(C)O 271570a_200011019289_100009843476 [0,1,0,0,0,0|2,0,1]=4 748 B13R1.893 Cc1ccc(c(c1)C=CC(=O)[13CH3])F 1458a_100102526132_200025704644 [0,1,0,0,0,0|2,0,0]=3 749 B13R1.893 Cc1ccc(c(c1)C=CC(C)C)O 271570a_100016257149_100000765521 [0,1,0,0,0,0|2,0,1]=4 750 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Br 271570a_200011019289_100012353751 [0,1,0,0,0,0|2,0,1]=4 751 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)C 271570a_200011019289_100000210833 [0,1,0,0,0,0|2,0,1]=4 752 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)Cl 271570a_200011019289_100012356289 [0,1,0,0,0,0|2,0,1]=4 753 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)F 271570a_200011019289_100000736223 [0,1,0,0,0,0|2,0,1]=4 754 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)N 271570a_200011019289_100000210942 [0,1,0,0,0,0|2,0,1]=4 755 B13R1.893 Cc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000765521 [0,1,0,0,0,0|1,0,1]=3 756 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [0,1,0,0,0,0|2,0,1]=4 757 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [0,1,0,0,0,0|1,0,2]=4 758 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000765521 [0,1,0,0,0,0|2,0,1]=4 759 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000765521_100000747473 [0,1,0,0,0,0|2,0,1]=4 760 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000765521_100020667443 [0,1,0,0,0,0|1,0,2]=4 761 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000765521 [0,1,0,0,0,0|1,0,2]=4 762 B13R1.893 Cc1ccc(c(n1)C=CC(C)O)O 271570a_200011019289_100000702858 [0,1,0,0,0,0|2,0,1]=4 763 B13R1.893 Cc1ccc(cc1C=CC(C)O)Br 271570a_200011019289_100011344865 [0,1,0,0,0,0|2,0,1]=4 764 B13R1.893 Cc1ccc(cc1C=CC(C)O)Cl 271570a_200011019289_100011263213 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.893 Cc1ccc(cc1C=CC(C)O)F 271570a_200011019289_100011218078 [0,1,0,0,0,0|2,0,1]=4 766 B13R1.893 Cc1ccc(cc1C=CC(C)O)N 271570a_200011019289_100000736455 [0,1,0,0,0,0|2,0,1]=4 767 B13R1.893 Cc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100011380479 [0,1,0,0,0,0|2,0,1]=4 768 B13R1.893 Cc1cnc(c(c1)C=CC(C)O)O 271570a_200011019289_100000049931 [0,1,0,0,0,0|2,0,1]=4 769 B13R1.893 NC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000187820 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.893 NC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000187820 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.893 NC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000187820 [0,1,0,0,0,0|2,0,1]=4 772 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100000747473_100012355227 [0,1,0,0,0,0|2,0,1]=4 773 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747473 [0,1,0,0,0,0|2,0,1]=4 774 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100000747473_100011356953 [0,1,0,0,0,0|2,0,1]=4 775 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747473 [0,1,0,0,0,0|2,0,1]=4 776 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747473 [0,1,0,0,0,0|2,0,1]=4 777 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000747473_100000211999 [0,1,0,0,0,0|2,0,1]=4 778 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100000747473_100011534360 [0,1,0,0,0,0|2,0,1]=4 779 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747473 [0,1,0,0,0,0|2,0,1]=4 780 B13R1.893 NC(=O)CSc1cc(ccc1O)O 62a_100000747473_100009813629 [0,1,0,0,0,0|2,0,1]=4 781 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100011534360_100020667443 [0,1,0,0,0,0|1,0,2]=4 782 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100011534360 [0,1,0,0,0,0|1,0,2]=4 783 B13R1.893 O=C([O-])CNc1cc(ccc1O)Br 34a_100000752626_100020667443 [0,1,0,0,0,0|1,0,2]=4 784 B13R1.893 O=C([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100020667443 [0,1,0,0,0,0|1,0,2]=4 785 B13R1.893 O=C([O-])CNc1cc(ccc1O)F 34a_100000759472_100020667443 [0,1,0,0,0,0|1,0,2]=4 786 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100012355227_100020667443 [0,1,0,0,0,0|1,0,2]=4 787 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100020667443_100012355227 [0,1,0,0,0,0|1,0,2]=4 788 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100020667443 [0,1,0,0,0,0|1,0,2]=4 789 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100020667443_100011356953 [0,1,0,0,0,0|1,0,2]=4 790 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100000211999_100020667443 [0,1,0,0,0,0|1,0,2]=4 791 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100020667443_100000211999 [0,1,0,0,0,0|1,0,2]=4 792 B13R1.893 O=C([O-])CSc1cc(ccc1O)O 62a_100020667443_100009813629 [0,1,0,0,0,0|1,0,2]=4 793 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_200025704644 [0,1,0,0,0,0|2,0,0]=3 794 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_200025704644 [0,1,0,0,0,0|2,0,0]=3 795 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_200025704644 [0,1,0,0,0,0|2,0,0]=3 796 B13R1.893 [13CH3]C(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_200025704644 [0,1,0,0,0,0|2,0,0]=3 797 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200000210301 [0,1,0,0,0,0|2,0,0]=3 798 B13R1.3787 CC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200000210301 [0,1,0,0,0,0|2,0,0]=3 799 B13R1.3787 CC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200000210301 [0,1,0,0,0,0|2,0,0]=3 800 B13R1.3787 CC(C)C=Cc1c(cccc1Br)O 271570a_100016257149_100010187912 [0,1,0,0,0,0|2,0,1]=4 801 B13R1.3787 CC(C)C=Cc1c(cccc1Cl)O 271570a_100016257149_100000050174 [0,1,0,0,0,0|2,0,1]=4 802 B13R1.3787 CC(C)C=Cc1c(cccc1F)O 271570a_100016257149_100009820682 [0,1,0,0,0,0|2,0,1]=4 803 B13R1.3787 CC(C)C=Cc1c(cccc1O)N 271570a_100016257149_100012183704 [0,1,0,0,0,0|2,0,1]=4 804 B13R1.3787 CC(C)C=Cc1c(cccc1O)O 271570a_100016257149_100010205330 [0,1,0,0,0,0|2,0,1]=4 805 B13R1.3787 CC(O)C=Cc1c(cccc1Br)Br 271570a_200011019289_100009994525 [0,1,0,0,0,0|2,0,1]=4 806 B13R1.3787 CC(O)C=Cc1c(cccc1Br)Cl 271570a_200011019289_100010214488 [0,1,0,0,0,0|2,0,1]=4 807 B13R1.3787 CC(O)C=Cc1c(cccc1Br)F 271570a_200011019289_100011219512 [0,1,0,0,0,0|2,0,1]=4 808 B13R1.3787 CC(O)C=Cc1c(cccc1Br)N 271570a_200011019289_100020590159 [0,1,0,0,0,0|2,0,1]=4 809 B13R1.3787 CC(O)C=Cc1c(cccc1Br)O 271570a_200011019289_100010187912 [0,1,0,0,0,0|1,0,1]=3 810 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)Cl 271570a_200011019289_100000034237 [0,1,0,0,0,0|2,0,1]=4 811 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)F 271570a_200011019289_100000050007 [0,1,0,0,0,0|2,0,1]=4 812 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)N 271570a_200011019289_100000049713 [0,1,0,0,0,0|2,0,1]=4 813 B13R1.3787 CC(O)C=Cc1c(cccc1Cl)O 271570a_200011019289_100000050174 [0,1,0,0,0,0|1,0,1]=3 814 B13R1.3787 CC(O)C=Cc1c(cccc1F)F 271570a_200011019289_100000693133 [0,1,0,0,0,0|2,0,1]=4 815 B13R1.3787 CC(O)C=Cc1c(cccc1F)N 271570a_200011019289_100011934729 [0,1,0,0,0,0|2,0,1]=4 816 B13R1.3787 CC(O)C=Cc1c(cccc1F)O 271570a_200011019289_100009820682 [0,1,0,0,0,0|1,0,1]=3 817 B13R1.3787 CC(O)C=Cc1c(cccc1O)N 271570a_200011019289_100012183704 [0,1,0,0,0,0|1,0,1]=3 818 B13R1.3787 CC(O)C=Cc1c(cccc1O)O 271570a_200011019289_100010205330 [0,1,0,0,0,0|1,0,1]=3 819 B13R1.3787 CC(O)C=Cc1c(ccnc1O)O 271570a_200011019289_200009817435 [0,1,0,0,0,0|2,0,1]=4 820 B13R1.3787 Cc1cccc(c1C=CC(C)C)O 271570a_100016257149_100000686692 [0,1,0,0,0,0|2,0,1]=4 821 B13R1.3787 Cc1cccc(c1C=CC(C)O)C 271570a_200011019289_100000033847 [0,1,0,0,0,0|2,0,1]=4 822 B13R1.3787 Cc1cccc(c1C=CC(C)O)Cl 271570a_200011019289_100000043165 [0,1,0,0,0,0|2,0,1]=4 823 B13R1.3787 Cc1cccc(c1C=CC(C)O)F 271570a_200011019289_100012349962 [0,1,0,0,0,0|2,0,1]=4 824 B13R1.3787 Cc1cccc(c1C=CC(C)O)N 271570a_200011019289_100000684715 [0,1,0,0,0,0|2,0,1]=4 825 B13R1.3787 Cc1cccc(c1C=CC(C)O)O 271570a_200011019289_100000686692 [0,1,0,0,0,0|1,0,1]=3 826 B13R1.3787 Cc1cccc(c1NCC(=O)N)O 34a_100000743429_100000187820 [0,1,0,0,0,0|2,0,1]=4 827 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])O 34a_100000743429_100020667443 [0,1,0,0,0,0|1,0,2]=4 828 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000686692_100000747473 [0,1,0,0,0,0|2,0,1]=4 829 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000747473_100000686692 [0,1,0,0,0,0|2,0,1]=4 830 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100000686692_100020667443 [0,1,0,0,0,0|1,0,2]=4 831 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100000686692 [0,1,0,0,0,0|1,0,2]=4 832 B13R1.3787 Cc1ccnc(c1C=CC(C)O)O 271570a_200011019289_100012000493 [0,1,0,0,0,0|2,0,1]=4 833 B13R1.3787 NC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000187820 [0,1,0,0,0,0|2,0,1]=4 834 B13R1.3787 NC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000187820 [0,1,0,0,0,0|2,0,1]=4 835 B13R1.3787 NC(=O)CNc1c(cccc1F)O 34a_100020591140_100000187820 [0,1,0,0,0,0|2,0,1]=4 836 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100000747473_100010187912 [0,1,0,0,0,0|2,0,1]=4 837 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000747473 [0,1,0,0,0,0|2,0,1]=4 838 B13R1.3787 NC(=O)CSc1c(cccc1Cl)O 62a_100000747473_100000050174 [0,1,0,0,0,0|2,0,1]=4 839 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100000747473_100009820682 [0,1,0,0,0,0|2,0,1]=4 840 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100009820682_100000747473 [0,1,0,0,0,0|2,0,1]=4 841 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100000747473_100012183704 [0,1,0,0,0,0|2,0,1]=4 842 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100012183704_100000747473 [0,1,0,0,0,0|2,0,1]=4 843 B13R1.3787 NC(=O)CSc1c(cccc1O)O 62a_100000747473_100010205330 [0,1,0,0,0,0|2,0,1]=4 844 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100012183704_100020667443 [0,1,0,0,0,0|1,0,2]=4 845 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100012183704 [0,1,0,0,0,0|1,0,2]=4 846 B13R1.3787 O=C([O-])CNc1c(cccc1Br)O 34a_100011934926_100020667443 [0,1,0,0,0,0|1,0,2]=4 847 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)O 34a_100012022510_100020667443 [0,1,0,0,0,0|1,0,2]=4 848 B13R1.3787 O=C([O-])CNc1c(cccc1F)O 34a_100020591140_100020667443 [0,1,0,0,0,0|1,0,2]=4 849 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100010187912_100020667443 [0,1,0,0,0,0|1,0,2]=4 850 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100020667443_100010187912 [0,1,0,0,0,0|1,0,2]=4 851 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)O 62a_100020667443_100000050174 [0,1,0,0,0,0|1,0,2]=4 852 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100009820682_100020667443 [0,1,0,0,0,0|1,0,2]=4 853 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100020667443_100009820682 [0,1,0,0,0,0|1,0,2]=4 854 B13R1.3787 O=C([O-])CSc1c(cccc1O)O 62a_100020667443_100010205330 [0,1,0,0,0,0|1,0,2]=4 855 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_200025704644 [0,1,0,0,0,0|2,0,0]=3 856 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_200025704644 [0,1,0,0,0,0|2,0,0]=3 857 B13R1.3787 [13CH3]C(=O)C=Cc1c(cccc1F)F 1458a_100000738813_200025704644 [0,1,0,0,0,0|2,0,0]=3 858 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,0,1,0,0|3,0,0]=4 859 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,0,1,0,0|2,0,0]=3 860 B13R2.435 C=C(C)c1cc2ccccc2s1 271570a_100000694244_100009816949 [0,0,0,1,0,0|2,1,0]=4 861 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,0,1,0,0|2,0,0]=3 862 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,0,0,1,0,0|1,0,2]=4 863 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,0,1,0,0|2,0,0]=3 864 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,0,0,1,0,0|1,0,2]=4 865 B13R2.3587 Oc1ccccc1C=CC2CC2 271570a_100102526188_100000739446 [0,0,0,1,0,0|2,0,1]=4 866 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [0,0,0,1,0,0|2,0,0]=3 867 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [0,0,0,1,0,0|3,0,0]=4 868 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [0,0,0,1,0,0|3,0,0]=4 869 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [0,0,0,1,0,0|3,0,0]=4 870 B13R2.5179 Nc1cc2cccc(c2cn1)O 271570a_203496583355_100010201637 [0,0,0,1,0,0|3,0,0]=4 871 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [0,0,0,1,0,0|2,0,0]=3 872 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [0,0,0,1,0,0|2,0,0]=3 873 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [0,0,0,1,0,0|3,0,0]=4 874 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [0,0,0,1,0,0|3,0,0]=4 875 B13R2.5179 Nc1ncc2c(cccc2n1)O 271570a_203496583355_100010209551 [0,0,0,1,0,0|3,0,0]=4 876 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [0,0,0,1,0,0|3,0,0]=4 877 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,0,0,1,0,0|1,0,2]=4 878 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [0,0,0,1,0,0|1,0,2]=4 879 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,0,0,1,0,0|0,0,2]=3 880 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [0,0,0,1,0,0|2,0,1]=4 881 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [0,0,0,1,0,0|1,0,0]=2 882 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,0,0,1,0,0|2,0,1]=4 883 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [0,0,0,1,0,0|2,0,0]=3 884 B13R2.5179 Oc1cc2ccnc(c2cn1)O 271570a_203496583355_100020669822 [0,0,0,1,0,0|3,0,0]=4 885 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [0,0,0,1,0,0|1,0,0]=2 886 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [0,0,0,1,0,0|3,0,0]=4 887 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [0,0,0,1,0,0|2,0,0]=3 888 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [0,0,0,1,0,0|2,0,0]=3 889 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [0,0,0,1,0,0|2,0,0]=3 890 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [0,0,0,1,0,0|2,0,0]=3 891 B13R2.5179 Oc1ccc2c(ncnc2n1)O 271570a_203496583355_100000092995 [0,0,0,1,0,0|3,0,0]=4 892 B13R2.5179 Oc1ccc2c(nncc2c1)O 271570a_203496583355_100000724280 [0,0,0,1,0,0|3,0,0]=4 893 B13R2.5179 Oc1ccnc2c1ccc(c2)Cl 271570a_203496583355_100012352046 [0,0,0,1,0,0|3,0,0]=4 894 B13R2.5179 Oc1ccnc2c1ccc(c2)F 271570a_203496583355_100000755548 [0,0,0,1,0,0|3,0,0]=4 895 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [0,0,0,1,0,0|3,0,0]=4 896 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [0,0,0,1,0,0|3,0,0]=4 897 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [0,0,0,1,0,0|3,0,0]=4 898 B13R2.5179 Oc1cnc2c(nccc2c1)O 271570a_203496583355_100010117065 [0,0,0,1,0,0|3,0,0]=4 899 B13R2.5179 Oc1nccc2c1ccc(c2)F 271570a_203496583355_100000097391 [0,0,0,1,0,0|3,0,0]=4 900 B13R2.5179 [O-][n+]1ccc2c(cccc2c1)O 271570a_203496583355_200010126733 [0,0,0,1,0,0|2,0,1]=4 901 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,0,0,0,1,0|3,0,0]=4 902 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,1,0|3,0,0]=4 903 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,0,0,0,1,0|3,0,0]=4 904 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,0,0,0,1,0|3,0,0]=4 905 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,0,0,0,1,0|3,0,0]=4 906 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,0,0,0,1,0|2,0,0]=3 907 B11R1.86 CC(=Cc1ccncc1O)C 271570a_100102525489_100009817591 [0,0,0,0,1,0|3,0,0]=4 908 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,0,0,0,1,0|3,0,0]=4 909 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,0,0,1,0|2,0,1]=4 910 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,0,0,1,0|2,0,1]=4 911 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,1,0|2,0,1]=4 912 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,1,0|2,0,1]=4 913 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,0,0,1,0|2,0,1]=4 914 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,0,0,1,0|2,0,1]=4 915 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,0,0,1,0|2,0,1]=4 916 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,0,0,1,0|2,0,1]=4 917 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,0,0,1,0|2,0,1]=4 918 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,0,0,1,0|2,0,1]=4 919 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,0,0,1,0|1,0,1]=3 920 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,0,0,1,0|1,0,1]=3 921 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,1,0|2,0,1]=4 922 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,0,0,1,0|3,0,0]=4 923 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,0,0,1,0|3,0,0]=4 924 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,0,0,1,0|3,0,0]=4 925 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,0,0,1,0|3,0,0]=4 926 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,0,0,1,0|3,0,0]=4 927 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,0,0,1,0|3,0,0]=4 928 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,0,0,1,0|3,0,0]=4 929 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,0,0,1,0|3,0,0]=4 930 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,0,0,1,0|3,0,0]=4 931 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,0,0,1,0|3,0,0]=4 932 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,0,0,1,0|3,0,0]=4 933 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,0,0,1,0|3,0,0]=4 934 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,0,0,1,0|3,0,0]=4 935 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,0,0,1,0|3,0,0]=4 936 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,0,0,1,0|3,0,0]=4 937 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,0,0,1,0|3,0,0]=4 938 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,0,0,1,0|2,0,0]=3 939 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,0,0,1,0|2,0,0]=3 940 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,0,0,1,0|2,0,0]=3 941 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,0,0,0,1,0|3,0,0]=4 942 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,0,0,1,0|2,0,0]=3 943 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,0,0,0,1,0|3,0,0]=4 944 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,1,0|2,0,1]=4 945 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,0,0,0,1,0|1,0,1]=3 946 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,0,0,0,1,0|2,0,0]=3 947 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,0,0,1,0|2,0,1]=4 948 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,0,0,1,0|2,0,1]=4 949 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,0,0,1,0|2,0,1]=4 950 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,0,0,1,0|2,0,1]=4 951 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,0,0,1,0|1,0,1]=3 952 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,0,0,1,0|3,0,0]=4 953 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,0,0,1,0|3,0,0]=4 954 B13R1.158 CC(=CCNc1ccccc1O)C 34a_100000185747_100000761012 [0,0,0,0,0,1|2,0,1]=4 955 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000739446_100000761012 [0,0,0,0,0,1|2,0,1]=4 956 B13R1.158 CC(=CCSc1ccccc1O)C 62a_100000761012_100000739446 [0,0,0,0,0,1|2,0,1]=4 957 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,0,0,0,0,1|1,0,2]=4 958 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000053229_100000739446 [0,0,0,0,0,1|1,0,2]=4 959 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000739446_100000053229 [0,0,0,0,0,1|1,0,2]=4 960 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,0,0,0,0,1|1,0,2]=4 961 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,0,0,0,0,1|1,0,2]=4 962 B13R1.158 CC(=O)NN=Cc1ccccc1Br 4a_100000189765_100000211189 [0,0,0,0,0,1|3,0,0]=4 963 B13R1.158 CC(=O)NN=Cc1ccccc1C 4a_100000189765_100000211143 [0,0,0,0,0,1|3,0,0]=4 964 B13R1.158 CC(=O)NN=Cc1ccccc1Cl 4a_100000189765_100000210073 [0,0,0,0,0,1|3,0,0]=4 965 B13R1.158 CC(=O)NN=Cc1ccccc1F 4a_100000189765_100000210811 [0,0,0,0,0,1|3,0,0]=4 966 B13R1.158 CC(=O)NN=Cc1ccccc1I 4a_100000189765_100000010305 [0,0,0,0,0,1|3,0,0]=4 967 B13R1.158 CC(=O)NN=Cc1ccccc1O 4a_100000189765_100000185834 [0,0,0,0,0,1|2,0,0]=3 968 B13R1.158 CC(=O)NN=Cc1cccnc1O 4a_100000189765_100011998315 [0,0,0,0,0,1|3,0,0]=4 969 B13R1.158 CC(=O)NN=Cc1ccncc1O 4a_100000189765_100000077405 [0,0,0,0,0,1|3,0,0]=4 970 B13R1.158 CC(=O)NN=Cc1ncccc1O 4a_100000189765_100000042352 [0,0,0,0,0,1|3,0,0]=4 971 B13R1.158 CC(=O)OCNc1ccccc1O 34a_100000185747_100009813279 [0,0,0,0,0,1|2,0,1]=4 972 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000076356_100000739446 [0,0,0,0,0,1|2,0,1]=4 973 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000739446_100000076356 [0,0,0,0,0,1|2,0,1]=4 974 B13R1.158 CC(C)CC=Cc1ccccc1O 271570a_100016259101_100000739446 [0,0,0,0,0,1|2,0,1]=4 975 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,0,0,0,0,1|1,0,2]=4 976 B13R1.158 NC(=O)CCNc1ccccc1O 34a_100000185747_100000731001 [0,0,0,0,0,1|1,0,2]=4 977 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000739446_100000744528 [0,0,0,0,0,1|1,0,2]=4 978 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000744528_100000739446 [0,0,0,0,0,1|1,0,2]=4 979 B13R1.158 NC(=O)CNCc1ccccc1O 34a_100000185550_100000187820 [0,0,0,0,0,1|1,0,2]=4 980 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,0,0,0,0,1|1,0,2]=4 981 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,0,0,0,0,1|1,0,2]=4 982 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,0,0,0,0,1|1,0,2]=4 983 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,0,0,0,0,1|1,0,2]=4 984 B13R1.158 O=C(O)CNCc1ncccc1O 269956a_100016091260_200020655725 [0,0,0,0,0,1|1,0,2]=4 985 B13R1.158 O=C([O-])CNCc1ccccc1O 34a_100000185550_100020667443 [0,0,0,0,0,1|0,0,3]=4 986 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,0,0,0,0,1|1,0,2]=4 987 B10R1.4 C=C=Cc1ccccc1Br 271570a_100015277604_100000695589 [2,0,0,0,0,0|1,0,1]=4 988 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [2,0,0,0,0,0|1,0,1]=4 989 B10R1.4 C=C=Cc1ccccc1Cl 271570a_100015277604_100000764095 [2,0,0,0,0,0|1,0,1]=4 990 B10R1.4 C=C=Cc1ccccc1F 271570a_100015277604_100011215700 [2,0,0,0,0,0|1,0,1]=4 991 B10R1.4 C=C=Cc1ccccc1N 271570a_100015277604_100000210017 [2,0,0,0,0,0|1,0,1]=4 992 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [2,0,0,0,0,0|0,0,1]=3 993 B10R1.4 C=C=Cc1ccncc1O 271570a_100015277604_100009817591 [2,0,0,0,0,0|1,0,1]=4 994 B10R1.4 C=C=Cc1ncccc1O 271570a_100015277604_100000034122 [2,0,0,0,0,0|1,0,1]=4 995 B10R1.4 C=CCc1ccccc1O 271570a_203496583355_100009828059 [2,0,0,0,0,0|0,0,1]=3 996 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [2,0,0,0,0,0|1,0,1]=4 997 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [2,0,0,0,0,0|1,0,1]=4 998 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [2,0,0,0,0,0|1,0,1]=4 999 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [2,0,0,0,0,0|1,0,1]=4 1000 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [2,0,0,0,0,0|1,0,1]=4 1001 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [2,0,0,0,0,0|0,0,1]=3 1002 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [2,0,0,0,0,0|1,0,1]=4 1003 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [2,0,0,0,0,0|1,0,1]=4 1004 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [2,0,0,0,0,0|0,0,2]=4 1005 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,1]=4 1006 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,1]=4 1007 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,1]=4 1008 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,1]=4 1009 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,1]=4 1010 B12R1.25 Cc1cccc(c1O)NCC=O 34a_100000756359_200009817547 [1,1,0,0,0,0|1,0,1]=4 1011 B12R1.25 Cc1cccc(c1O)SCC=O 62a_100009817157_200015260668 [1,1,0,0,0,0|1,0,1]=4 1012 B12R1.25 Cc1cccc(c1O)SCC=O 62a_200015260668_100009817157 [1,1,0,0,0,0|1,0,1]=4 1013 B12R1.25 Nc1cccc(c1O)SCC=O 62a_100011934915_200015260668 [1,1,0,0,0,0|1,0,1]=4 1014 B12R1.25 Nc1cccc(c1O)SCC=O 62a_200015260668_100010084371 [1,1,0,0,0,0|1,0,1]=4 1015 B12R1.25 O=CCNc1cccc(c1O)Br 34a_100011934915_200009817547 [1,1,0,0,0,0|1,0,1]=4 1016 B12R1.25 O=CCNc1cccc(c1O)Cl 34a_100000754742_200009817547 [1,1,0,0,0,0|1,0,1]=4 1017 B12R1.25 O=CCNc1cccc(c1O)F 34a_100011934987_200009817547 [1,1,0,0,0,0|1,0,1]=4 1018 B12R1.25 O=CCSc1cccc(c1O)Br 62a_100010084509_200015260668 [1,1,0,0,0,0|1,0,1]=4 1019 B12R1.25 O=CCSc1cccc(c1O)Br 62a_200015260668_100010084509 [1,1,0,0,0,0|1,0,1]=4 1020 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_100010202889_200015260668 [1,1,0,0,0,0|1,0,1]=4 1021 B12R1.25 O=CCSc1cccc(c1O)Cl 62a_200015260668_100010202889 [1,1,0,0,0,0|1,0,1]=4 1022 B12R1.25 O=CCSc1cccc(c1O)F 62a_100009813666_200015260668 [1,1,0,0,0,0|1,0,1]=4 1023 B12R1.25 O=CCSc1cccc(c1O)F 62a_200015260668_100009813666 [1,1,0,0,0,0|1,0,1]=4 1024 B12R1.25 O=CCSc1cccc(c1O)O 62a_200015260668_100009815950 [1,1,0,0,0,0|1,0,1]=4 1025 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [1,1,0,0,0,0|1,0,1]=4 1026 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [1,1,0,0,0,0|1,0,1]=4 1027 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [1,1,0,0,0,0|1,0,1]=4 1028 B12R1.69 O=CCNc1ccc(cc1O)Br 34a_100000739049_200009817547 [1,1,0,0,0,0|1,0,1]=4 1029 B12R1.69 O=CCNc1ccc(cc1O)Cl 34a_100000185728_200009817547 [1,1,0,0,0,0|1,0,1]=4 1030 B12R1.69 O=CCNc1ccc(cc1O)F 34a_100000753323_200009817547 [1,1,0,0,0,0|1,0,1]=4 1031 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [1,1,0,0,0,0|1,0,1]=4 1032 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_100012344904_200015260668 [1,1,0,0,0,0|1,0,1]=4 1033 B12R1.69 O=CCSc1ccc(cc1O)Br 62a_200015260668_100012344904 [1,1,0,0,0,0|1,0,1]=4 1034 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_100000050036_200015260668 [1,1,0,0,0,0|1,0,1]=4 1035 B12R1.69 O=CCSc1ccc(cc1O)Cl 62a_200015260668_100000050036 [1,1,0,0,0,0|1,0,1]=4 1036 B12R1.69 O=CCSc1ccc(cc1O)F 62a_100000690578_200015260668 [1,1,0,0,0,0|1,0,1]=4 1037 B12R1.69 O=CCSc1ccc(cc1O)F 62a_200015260668_100000690578 [1,1,0,0,0,0|1,0,1]=4 1038 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [1,1,0,0,0,0|1,0,1]=4 1039 B12R1.121 COc1ccccc1NCC=O 34a_100000210025_200009817547 [1,1,0,0,0,0|1,0,1]=4 1040 B12R1.121 COc1ccccc1OCC=O 34a_100000210385_200009817547 [1,1,0,0,0,0|1,0,1]=4 1041 B12R1.121 COc1ccccc1SCC=O 62a_100000210334_200015260668 [1,1,0,0,0,0|1,0,1]=4 1042 B12R1.121 COc1ccccc1SCC=O 62a_200015260668_100000210334 [1,1,0,0,0,0|1,0,1]=4 1043 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200000210301_200016268969 [1,1,0,0,0,0|0,1,0]=3 1044 B12R1.121 CSc1ccccc1/C=C/C=O 62a_200016268969_200000210301 [1,1,0,0,0,0|0,1,0]=3 1045 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [1,1,0,0,0,0|1,0,1]=4 1046 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [1,1,0,0,0,0|1,0,1]=4 1047 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [1,1,0,0,0,0|1,0,1]=4 1048 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [1,1,0,0,0,0|1,0,1]=4 1049 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200016268969_200025704644 [1,1,0,0,0,0|0,1,0]=3 1050 B12R1.121 [13CH3]Sc1ccccc1/C=C/C=O 62a_200025704644_200016268969 [1,1,0,0,0,0|0,1,0]=3 1051 B12R1.267 C/C=C/CNc1ccccc1O 34a_100000185747_100102629194 [1,1,0,0,0,0|1,0,1]=4 1052 B12R1.267 C/C=C/CSc1ccccc1O 62a_100000739446_100102629194 [1,1,0,0,0,0|1,0,1]=4 1053 B12R1.267 C/C=C/CSc1ccccc1O 62a_100102629194_100000739446 [1,1,0,0,0,0|1,0,1]=4 1054 B12R1.267 CC=CCNc1ccccc1O 34a_100000185747_100000070051 [1,1,0,0,0,0|1,0,1]=4 1055 B12R1.267 CC=CCSc1ccccc1O 62a_100000070051_100000739446 [1,1,0,0,0,0|1,0,1]=4 1056 B12R1.267 CC=CCSc1ccccc1O 62a_100000739446_100000070051 [1,1,0,0,0,0|1,0,1]=4 1057 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [1,1,0,0,0,0|1,0,1]=4 1058 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [1,1,0,0,0,0|1,0,1]=4 1059 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [1,1,0,0,0,0|1,0,1]=4 1060 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [1,1,0,0,0,0|1,0,1]=4 1061 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [1,1,0,0,0,0|1,0,1]=4 1062 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [1,1,0,0,0,0|1,0,1]=4 1063 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [1,1,0,0,0,0|1,0,1]=4 1064 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [1,1,0,0,0,0|0,0,1]=3 1065 B12R1.267 COCC=Cc1ccncc1O 271570a_100016286323_100009817591 [1,1,0,0,0,0|1,0,1]=4 1066 B12R1.267 COCC=Cc1ncccc1O 271570a_100016286323_100000034122 [1,1,0,0,0,0|1,0,1]=4 1067 B12R1.267 O=CCNCc1ccccc1O 34a_100000185550_200009817547 [1,1,0,0,0,0|0,0,2]=4 1068 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [1,1,0,0,0,0|1,0,1]=4 1069 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [1,1,0,0,0,0|1,0,1]=4 1070 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [1,1,0,0,0,0|0,0,2]=4 1071 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [1,1,0,0,0,0|2,0,0]=4 1072 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [1,1,0,0,0,0|1,0,1]=4 1073 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [1,1,0,0,0,0|1,0,1]=4 1074 B12R1.374 Cc1ccc(c(c1)NCC=O)O 34a_100011215204_200009817547 [1,1,0,0,0,0|1,0,1]=4 1075 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_100000765521_200015260668 [1,1,0,0,0,0|1,0,1]=4 1076 B12R1.374 Cc1ccc(c(c1)SCC=O)O 62a_200015260668_100000765521 [1,1,0,0,0,0|1,0,1]=4 1077 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_100011534360_200015260668 [1,1,0,0,0,0|1,0,1]=4 1078 B12R1.374 Nc1ccc(c(c1)SCC=O)O 62a_200015260668_100011534360 [1,1,0,0,0,0|1,0,1]=4 1079 B12R1.374 O=CCNc1cc(ccc1O)Br 34a_100000752626_200009817547 [1,1,0,0,0,0|1,0,1]=4 1080 B12R1.374 O=CCNc1cc(ccc1O)Cl 34a_100000210500_200009817547 [1,1,0,0,0,0|1,0,1]=4 1081 B12R1.374 O=CCNc1cc(ccc1O)F 34a_100000759472_200009817547 [1,1,0,0,0,0|1,0,1]=4 1082 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_100012355227_200015260668 [1,1,0,0,0,0|1,0,1]=4 1083 B12R1.374 O=CCSc1cc(ccc1O)Br 62a_200015260668_100012355227 [1,1,0,0,0,0|1,0,1]=4 1084 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_100011356953_200015260668 [1,1,0,0,0,0|1,0,1]=4 1085 B12R1.374 O=CCSc1cc(ccc1O)Cl 62a_200015260668_100011356953 [1,1,0,0,0,0|1,0,1]=4 1086 B12R1.374 O=CCSc1cc(ccc1O)F 62a_100000211999_200015260668 [1,1,0,0,0,0|1,0,1]=4 1087 B12R1.374 O=CCSc1cc(ccc1O)F 62a_200015260668_100000211999 [1,1,0,0,0,0|1,0,1]=4 1088 B12R1.374 O=CCSc1cc(ccc1O)O 62a_200015260668_100009813629 [1,1,0,0,0,0|1,0,1]=4 1089 B12R1.1631 Cc1cccc(c1NCC=O)O 34a_100000743429_200009817547 [1,1,0,0,0,0|1,0,1]=4 1090 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_100000686692_200015260668 [1,1,0,0,0,0|1,0,1]=4 1091 B12R1.1631 Cc1cccc(c1SCC=O)O 62a_200015260668_100000686692 [1,1,0,0,0,0|1,0,1]=4 1092 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_100012183704_200015260668 [1,1,0,0,0,0|1,0,1]=4 1093 B12R1.1631 Nc1cccc(c1SCC=O)O 62a_200015260668_100012183704 [1,1,0,0,0,0|1,0,1]=4 1094 B12R1.1631 O=CCNc1c(cccc1Br)O 34a_100011934926_200009817547 [1,1,0,0,0,0|1,0,1]=4 1095 B12R1.1631 O=CCNc1c(cccc1Cl)O 34a_100012022510_200009817547 [1,1,0,0,0,0|1,0,1]=4 1096 B12R1.1631 O=CCNc1c(cccc1F)O 34a_100020591140_200009817547 [1,1,0,0,0,0|1,0,1]=4 1097 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_100010187912_200015260668 [1,1,0,0,0,0|1,0,1]=4 1098 B12R1.1631 O=CCSc1c(cccc1Br)O 62a_200015260668_100010187912 [1,1,0,0,0,0|1,0,1]=4 1099 B12R1.1631 O=CCSc1c(cccc1Cl)O 62a_200015260668_100000050174 [1,1,0,0,0,0|1,0,1]=4 1100 B12R1.1631 O=CCSc1c(cccc1F)O 62a_100009820682_200015260668 [1,1,0,0,0,0|1,0,1]=4 1101 B12R1.1631 O=CCSc1c(cccc1F)O 62a_200015260668_100009820682 [1,1,0,0,0,0|1,0,1]=4 1102 B12R1.1631 O=CCSc1c(cccc1O)O 62a_200015260668_100010205330 [1,1,0,0,0,0|1,0,1]=4 1103 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,1,0,0,0,0|1,0,0]=3 1104 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,1,0,0,0,0|1,0,0]=3 1105 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,1,0,0,0,0|1,0,0]=3 1106 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,1,0,0,0,0|1,0,0]=3 1107 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,1,0,0,0,0|1,0,0]=3 1108 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,1,0,0,0,0|1,0,0]=3 1109 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [1,1,0,0,0,0|2,0,0]=4 1110 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [1,1,0,0,0,0|2,0,0]=4 1111 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [1,1,0,0,0,0|1,0,1]=4 1112 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [1,1,0,0,0,0|1,0,1]=4 1113 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [1,1,0,0,0,0|1,0,1]=4 1114 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [1,1,0,0,0,0|1,0,1]=4 1115 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [1,1,0,0,0,0|1,0,1]=4 1116 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,1,0,0,0,0|1,0,0]=3 1117 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [1,1,0,0,0,0|1,0,1]=4 1118 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,1,0,0,0,0|1,0,0]=3 1119 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,1,0,0,0,0|1,0,0]=3 1120 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,1,0,0,0,0|1,0,0]=3 1121 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,1,0,0,0,0|1,0,0]=3 1122 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [1,1,0,0,0,0|2,0,0]=4 1123 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [1,1,0,0,0,0|2,0,0]=4 1124 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [1,1,0,0,0,0|1,0,0]=3 1125 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [1,1,0,0,0,0|2,0,0]=4 1126 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [1,1,0,0,0,0|2,0,0]=4 1127 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [1,1,0,0,0,0|2,0,0]=4 1128 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [1,1,0,0,0,0|1,0,0]=3 1129 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [1,1,0,0,0,0|1,0,0]=3 1130 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [1,1,0,0,0,0|2,0,0]=4 1131 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [1,1,0,0,0,0|2,0,0]=4 1132 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [1,1,0,0,0,0|2,0,0]=4 1133 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [1,1,0,0,0,0|2,0,0]=4 1134 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [1,1,0,0,0,0|2,0,0]=4 1135 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [1,1,0,0,0,0|1,0,1]=4 1136 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [1,1,0,0,0,0|1,0,1]=4 1137 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [1,1,0,0,0,0|1,0,1]=4 1138 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [1,1,0,0,0,0|1,0,1]=4 1139 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [1,1,0,0,0,0|1,0,1]=4 1140 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [1,1,0,0,0,0|1,0,0]=3 1141 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [1,1,0,0,0,0|2,0,0]=4 1142 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [1,1,0,0,0,0|2,0,0]=4 1143 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [1,1,0,0,0,0|2,0,0]=4 1144 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,1,0,0,0,0|0,0,2]=4 1145 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1146 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1147 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [1,1,0,0,0,0|2,0,0]=4 1148 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,1,0,0,0,0|1,0,0]=3 1149 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [1,1,0,0,0,0|2,0,0]=4 1150 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,1,0,0,0,0|1,0,0]=3 1151 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [1,1,0,0,0,0|1,0,0]=3 1152 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [1,1,0,0,0,0|1,0,0]=3 1154 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [1,1,0,0,0,0|2,0,0]=4 1155 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [1,1,0,0,0,0|2,0,0]=4 1156 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [1,1,0,0,0,0|2,0,0]=4 1157 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [1,1,0,0,0,0|1,0,0]=3 1158 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [1,1,0,0,0,0|1,0,0]=3 1159 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [1,1,0,0,0,0|2,0,0]=4 1160 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [1,1,0,0,0,0|2,0,0]=4 1161 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [1,1,0,0,0,0|1,0,0]=3 1162 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [1,1,0,0,0,0|1,0,0]=3 1163 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,1,0,0,0,0|1,0,1]=4 1164 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,1,0,0,0,0|1,0,1]=4 1165 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [1,1,0,0,0,0|1,0,1]=4 1166 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [1,1,0,0,0,0|0,0,2]=4 1167 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,1,0,0,0,0|1,0,1]=4 1168 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,1,0,0,0,0|1,0,0]=3 1169 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [1,1,0,0,0,0|1,0,0]=3 1170 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [1,1,0,0,0,0|1,0,0]=3 1171 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [1,1,0,0,0,0|1,0,0]=3 1172 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [1,1,0,0,0,0|1,0,0]=3 1173 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [1,1,0,0,0,0|1,0,0]=3 1174 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [1,1,0,0,0,0|1,0,1]=4 1175 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [1,1,0,0,0,0|1,0,1]=4 1176 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [1,1,0,0,0,0|1,0,1]=4 1177 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [1,1,0,0,0,0|1,0,1]=4 1178 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [1,1,0,0,0,0|1,0,1]=4 1179 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [1,1,0,0,0,0|1,0,1]=4 1180 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [1,1,0,0,0,0|1,0,0]=3 1181 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [1,1,0,0,0,0|1,0,1]=4 1182 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [1,1,0,0,0,0|1,0,0]=3 1183 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [1,1,0,0,0,0|1,0,0]=3 1184 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [1,1,0,0,0,0|1,0,0]=3 1185 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [1,1,0,0,0,0|1,0,0]=3 1186 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [1,1,0,0,0,0|1,0,1]=4 1187 B12R1.75 CC(=Cc1ccccc1CO)C 271570a_100102525489_100000187465 [0,1,0,0,1,0|2,0,0]=4 1188 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,1,0,0,1,0|1,0,1]=4 1189 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,0,0,1,0|2,0,0]=4 1190 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,0,0,1,0|2,0,0]=4 1191 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,0,0,1,0|2,0,0]=4 1192 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [0,1,0,0,1,0|2,0,0]=4 1193 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,0,0,1,0|1,0,1]=4 1194 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,0,0,1,0|1,0,1]=4 1195 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,0,0,1,0|1,0,1]=4 1196 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,0,0,1,0|2,0,0]=4 1197 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,0,0,1,0|2,0,0]=4 1198 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,0,0,1,0|2,0,0]=4 1199 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,0,0,1,0|2,0,0]=4 1200 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,0,0,1,0|2,0,0]=4 1201 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,0,0,1,0|2,0,0]=4 1202 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [0,1,0,0,1,0|2,0,0]=4 1203 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [0,1,0,0,1,0|2,0,0]=4 1204 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [0,1,0,0,1,0|2,0,0]=4 1205 B12R1.127 CC(=Cc1cc(ccc1O)Br)C 271570a_100102525489_100012355227 [0,1,0,0,1,0|2,0,0]=4 1206 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,1,0,0,1,0|2,0,0]=4 1207 B12R1.127 CC(=Cc1cc(ccc1O)Cl)C 271570a_100102525489_100011356953 [0,1,0,0,1,0|2,0,0]=4 1208 B12R1.127 CC(=Cc1cc(ccc1O)F)C 271570a_100102525489_100000211999 [0,1,0,0,1,0|2,0,0]=4 1209 B12R1.127 CC(=Cc1cc(ccc1O)N)C 271570a_100102525489_100011534360 [0,1,0,0,1,0|2,0,0]=4 1210 B12R1.127 CC(=Cc1cc(ccc1O)O)C 271570a_100102525489_100009813629 [0,1,0,0,1,0|2,0,0]=4 1211 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,1,0,0,1,0|1,0,1]=4 1212 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,1,0,0,1,0|1,0,1]=4 1213 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,1,0,0,1,0|1,0,1]=4 1214 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,1,0,0,1,0|1,0,1]=4 1215 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,1,0,0,1,0|2,0,0]=4 1216 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,1,0,0,1,0|2,0,0]=4 1217 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,1,0|2,0,0]=4 1218 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,1,0|2,0,0]=4 1219 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,1,0|2,0,0]=4 1220 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,1,0,0,1,0|2,0,0]=4 1221 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,1,0,0,1,0|2,0,0]=4 1222 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,1,0,0,1,0|2,0,0]=4 1223 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,1,0,0,1,0|2,0,0]=4 1224 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,1,0,0,1,0|2,0,0]=4 1225 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,1,0,0,1,0|2,0,0]=4 1226 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,1,0,0,1,0|2,0,0]=4 1227 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,1,0,0,1,0|2,0,0]=4 1228 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,1,0,0,1,0|1,0,1]=4 1229 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,1,0,0,1,0|1,0,1]=4 1230 B12R1.224 CC(=Cc1cccc(c1O)Br)C 271570a_100102525489_100010084509 [0,1,0,0,1,0|2,0,0]=4 1231 B12R1.224 CC(=Cc1cccc(c1O)C)C 271570a_100102525489_100009817157 [0,1,0,0,1,0|2,0,0]=4 1232 B12R1.224 CC(=Cc1cccc(c1O)Cl)C 271570a_100102525489_100010202889 [0,1,0,0,1,0|2,0,0]=4 1233 B12R1.224 CC(=Cc1cccc(c1O)F)C 271570a_100102525489_100009813666 [0,1,0,0,1,0|2,0,0]=4 1234 B12R1.224 CC(=Cc1cccc(c1O)N)C 271570a_100102525489_100011934915 [0,1,0,0,1,0|2,0,0]=4 1235 B12R1.224 CC(=Cc1cccc(c1O)O)C 271570a_100102525489_100009815950 [0,1,0,0,1,0|2,0,0]=4 1236 B12R1.224 CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000070787 [0,1,0,0,1,0|2,0,0]=4 1237 B12R1.224 CC(=O)Nc1cccc(c1O)Br 527a_100011934915_100103153847 [0,1,0,0,1,0|2,0,0]=4 1238 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,1,0|2,0,0]=4 1239 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,1,0|2,0,0]=4 1240 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,1,0|2,0,0]=4 1241 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,1,0|2,0,0]=4 1242 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000070787 [0,1,0,0,1,0|2,0,0]=4 1243 B12R1.224 CC(=O)Nc1cccc(c1O)Cl 527a_100000754742_100103153847 [0,1,0,0,1,0|2,0,0]=4 1244 B12R1.224 CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100015343762 [0,1,0,0,1,0|2,0,0]=4 1245 B12R1.224 CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000070787 [0,1,0,0,1,0|2,0,0]=4 1246 B12R1.224 CC(=O)Nc1cccc(c1O)F 527a_100011934987_100103153847 [0,1,0,0,1,0|2,0,0]=4 1247 B12R1.224 CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100015343762 [0,1,0,0,1,0|2,0,0]=4 1248 B12R1.224 CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000070787 [0,1,0,0,1,0|2,0,0]=4 1249 B12R1.224 CC(=O)Nc1cccc(c1O)I 527a_100010084371_100103153847 [0,1,0,0,1,0|2,0,0]=4 1250 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,1,0,0,1,0|1,0,1]=4 1251 B12R1.233 CC(=Cc1ccc(cc1O)Br)C 271570a_100102525489_100012344904 [0,1,0,0,1,0|2,0,0]=4 1252 B12R1.233 CC(=Cc1ccc(cc1O)C)C 271570a_100102525489_100012002257 [0,1,0,0,1,0|2,0,0]=4 1253 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,1,0,0,1,0|2,0,0]=4 1254 B12R1.233 CC(=Cc1ccc(cc1O)F)C 271570a_100102525489_100000690578 [0,1,0,0,1,0|2,0,0]=4 1255 B12R1.233 CC(=Cc1ccc(cc1O)O)C 271570a_100102525489_100009813921 [0,1,0,0,1,0|2,0,0]=4 1256 B12R1.233 CC(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200000210301 [0,1,0,0,1,0|1,0,1]=4 1257 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000070787 [0,1,0,0,1,0|2,0,0]=4 1258 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 271570a_203496583355_100009813020 [0,1,0,0,1,0|2,0,0]=4 1259 B12R1.233 CC(=O)Nc1ccc(cc1O)Br 527a_100000739049_100103153847 [0,1,0,0,1,0|2,0,0]=4 1260 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,1,0,0,1,0|2,0,0]=4 1261 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,1,0,0,1,0|2,0,0]=4 1262 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,1,0,0,1,0|2,0,0]=4 1263 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,1,0,0,1,0|2,0,0]=4 1264 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,1,0,0,1,0|2,0,0]=4 1265 B12R1.233 CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000070787 [0,1,0,0,1,0|2,0,0]=4 1266 B12R1.233 CC(=O)Nc1ccc(cc1O)F 271570a_203496583355_100011215554 [0,1,0,0,1,0|2,0,0]=4 1267 B12R1.233 CC(=O)Nc1ccc(cc1O)F 527a_100000753323_100103153847 [0,1,0,0,1,0|2,0,0]=4 1268 B12R1.233 CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000070787 [0,1,0,0,1,0|2,0,0]=4 1269 B12R1.233 CC(=O)Nc1ccc(cc1O)I 527a_100000057187_100103153847 [0,1,0,0,1,0|2,0,0]=4 1270 B12R1.233 CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000070787 [0,1,0,0,1,0|2,0,0]=4 1271 B12R1.233 CC(=O)Nc1ccc(cc1O)O 527a_100000106777_100103153847 [0,1,0,0,1,0|2,0,0]=4 1272 B12R1.233 [13CH3]C(=O)Cc1ccc(cc1O)Br 1458a_100000707504_200025704644 [0,1,0,0,1,0|1,0,1]=4 1273 B12R1.1009 CC(=Cc1c(cccc1Br)O)C 271570a_100102525489_100010187912 [0,1,0,0,1,0|2,0,0]=4 1274 B12R1.1009 CC(=Cc1c(cccc1Cl)O)C 271570a_100102525489_100000050174 [0,1,0,0,1,0|2,0,0]=4 1275 B12R1.1009 CC(=Cc1c(cccc1F)O)C 271570a_100102525489_100009820682 [0,1,0,0,1,0|2,0,0]=4 1276 B12R1.1009 CC(=Cc1c(cccc1O)C)C 271570a_100102525489_100000686692 [0,1,0,0,1,0|2,0,0]=4 1277 B12R1.1009 CC(=Cc1c(cccc1O)N)C 271570a_100102525489_100012183704 [0,1,0,0,1,0|2,0,0]=4 1278 B12R1.1009 CC(=Cc1c(cccc1O)O)C 271570a_100102525489_100010205330 [0,1,0,0,1,0|2,0,0]=4 1279 B12R1.1009 CC(=O)Nc1c(cccc1Br)O 527a_100011934926_100103153847 [0,1,0,0,1,0|2,0,0]=4 1280 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000070787 [0,1,0,0,1,0|2,0,0]=4 1281 B12R1.1009 CC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100103153847 [0,1,0,0,1,0|2,0,0]=4 1282 B12R1.1009 CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000070787 [0,1,0,0,1,0|2,0,0]=4 1283 B12R1.1009 CC(=O)Nc1c(cccc1F)O 527a_100020591140_100103153847 [0,1,0,0,1,0|2,0,0]=4 1284 B12R1.1009 CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000070787 [0,1,0,0,1,0|2,0,0]=4 1285 B12R1.1009 CC(=O)Nc1c(cccc1I)O 527a_200000049512_100103153847 [0,1,0,0,1,0|2,0,0]=4 1286 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,1,0,0,1,0|2,0,0]=4 1287 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,1,0,0,1,0|2,0,0]=4 1288 B12R1.1009 CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000070787 [0,1,0,0,1,0|2,0,0]=4 1289 B12R1.1009 CC(=O)Nc1c(cccc1O)O 527a_100011995820_100103153847 [0,1,0,0,1,0|2,0,0]=4 1290 B14R1.96 COc1ccccc1C=NNC(=O)C 4a_100000189765_100000169842 [0,1,0,0,0,1|2,0,0]=4 1291 B14R1.96 COc1ccccc1CNCC(=O)O 269956a_100016091260_100000210004 [0,1,0,0,0,1|0,0,2]=4 1292 B14R1.96 O=C(O)CNCc1ccccc1CO 269956a_100016091260_100009816955 [0,1,0,0,0,1|0,0,2]=4 1293 B14R1.154 CC(=O)NN=Cc1cccc(c1O)Br 4a_100000189765_100000737635 [0,1,0,0,0,1|2,0,0]=4 1294 B14R1.154 CC(=O)NN=Cc1cccc(c1O)C 4a_100000189765_100000744487 [0,1,0,0,0,1|2,0,0]=4 1295 B14R1.154 CC(=O)NN=Cc1cccc(c1O)Cl 4a_100000189765_100000742778 [0,1,0,0,0,1|2,0,0]=4 1296 B14R1.154 CC(=O)NN=Cc1cccc(c1O)F 4a_100000189765_100000745301 [0,1,0,0,0,1|2,0,0]=4 1297 B14R1.154 CC(=O)NN=Cc1cccc(c1O)I 4a_100000189765_100010171435 [0,1,0,0,0,1|2,0,0]=4 1298 B14R1.154 CC(=O)NN=Cc1cccc(c1O)O 4a_100000189765_100000183676 [0,1,0,0,0,1|2,0,0]=4 1299 B14R1.160 CC(=CCC(=O)c1ccccc1O)C 1458a_100015234032_100000761012 [0,1,0,0,0,1|2,0,0]=4 1300 B14R1.160 CC(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200000210301 [0,1,0,0,0,1|1,0,1]=4 1301 B14R1.160 CC(=O)COC(=O)c1ccccc1O 271570a_203496583355_201991511838 [0,1,0,0,0,1|1,0,1]=4 1302 B14R1.160 CC(=O)NN=C(C)c1ccccc1O 4a_100000189765_100000188907 [0,1,0,0,0,1|2,0,0]=4 1303 B14R1.160 CC(=O)NNC(=O)c1ccccc1O 22a_100000189765_100015234032 [0,1,0,0,0,1|2,0,0]=4 1304 B14R1.160 NC(=O)CNC(=O)c1ccccc1O 240690a_100000711301_100015234032 [0,1,0,0,0,1|1,0,1]=4 1305 B14R1.160 [13CH3]C(=O)CNC(=O)c1ccccc1O 1458a_100011193979_200025704644 [0,1,0,0,0,1|1,0,1]=4 1306 B14R1.161 CC(=O)C(=O)CNc1ccccc1O 34a_100000185747_100011261029 [0,1,0,0,0,1|1,0,1]=4 1307 B14R1.161 CC(=O)C(=O)CSc1ccccc1O 62a_100000739446_100011261029 [0,1,0,0,0,1|1,0,1]=4 1308 B14R1.161 CC(=O)C(=O)CSc1ccccc1O 62a_100011261029_100000739446 [0,1,0,0,0,1|1,0,1]=4 1309 B14R1.161 NC(=O)C(=O)NCc1ccccc1O 240690a_100000185550_100011215815 [0,1,0,0,0,1|1,0,1]=4 1310 B14R1.337 CC(=CC(=O)Nc1ccccc1O)C 22a_100000185747_100000211388 [0,1,0,0,0,1|2,0,0]=4 1311 B14R1.337 CC(=CC(=O)Nc1ccccc1O)Cl 22a_100000185747_200042562850 [0,1,0,0,0,1|2,0,0]=4 1312 B14R1.337 CC(=O)CC(=O)Nc1ccccc1O 1458a_100000070787_100000014494 [0,1,0,0,0,1|1,0,1]=4 1313 B14R1.337 CC(=O)CC(=O)Nc1ccccc1O 271570a_203496583355_200000187717 [0,1,0,0,0,1|1,0,1]=4 1314 B14R1.337 NC(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100000187820 [0,1,0,0,0,1|1,0,1]=4 1315 B14R1.337 NC(=O)CC(=O)Nc1ccccc1O 22a_100000185747_100134613110 [0,1,0,0,0,1|1,0,1]=4 1316 B14R1.337 NC(=O)CC(=O)Nc1ccccc1O 527a_100000185747_100134613110 [0,1,0,0,0,1|1,0,1]=4 1317 B14R1.337 O=C([O-])CC(=O)Cc1ccccc1O 1458a_100000743006_100020667443 [0,1,0,0,0,1|0,0,2]=4 1318 B14R1.837 CCC(=O)NN=Cc1ccccc1O 4a_100000183195_100000185834 [0,1,0,0,0,1|2,0,0]=4 1319 B14R1.837 COC(=O)C=NNc1ccccc1Br 4a_100000241748_200011823558 [0,1,0,0,0,1|2,0,0]=4 1320 B14R1.837 COC(=O)C=NNc1ccccc1C 4a_100000184220_200011823558 [0,1,0,0,0,1|2,0,0]=4 1321 B14R1.837 COC(=O)C=NNc1ccccc1Cl 4a_100000683529_200011823558 [0,1,0,0,0,1|2,0,0]=4 1322 B14R1.837 COC(=O)C=NNc1ccccc1F 4a_100000239246_200011823558 [0,1,0,0,0,1|2,0,0]=4 1323 B14R1.837 COC(=O)C=NNc1ccccc1I 4a_100011218156_200011823558 [0,1,0,0,0,1|2,0,0]=4 1324 B14R1.837 COC(=O)CCNc1ccccc1O 34a_100000185747_100000742370 [0,1,0,0,0,1|0,0,2]=4 1325 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000204255_100000739446 [0,1,0,0,0,1|0,0,2]=4 1326 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000739446_100000204255 [0,1,0,0,0,1|0,0,2]=4 1327 B14R1.837 COC(=O)CNCc1ccccc1O 34a_100000185550_100000747449 [0,1,0,0,0,1|0,0,2]=4 1328 B14R1.837 COC(=O)OCSc1ccccc1O 62a_100000739446_100000139417 [0,1,0,0,0,1|1,0,1]=4 1329 B14R1.837 O=C(CO)NCCc1ccccc1O 240690a_100011207237_100000210174 [0,1,0,0,0,1|0,0,2]=4 1330 B14R1.837 O=C(CO)NCCc1ccccc1O 527a_100011207237_100000210174 [0,1,0,0,0,1|0,0,2]=4 1331 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)Br 4a_100000189765_100011277552 [0,1,0,0,0,1|2,0,0]=4 1332 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)C 4a_100000189765_100000050924 [0,1,0,0,0,1|2,0,0]=4 1333 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)Cl 4a_100000189765_100011243810 [0,1,0,0,0,1|2,0,0]=4 1334 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)F 4a_100000189765_100000038406 [0,1,0,0,0,1|2,0,0]=4 1335 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)I 4a_100000189765_100000050530 [0,1,0,0,0,1|2,0,0]=4 1336 B14R1.4464 CC(=O)NN=Cc1ccc(cc1O)O 4a_100000189765_100000212098 [0,1,0,0,0,1|2,0,0]=4 1337 B14R1.4920 CC(=O)NN=Cc1c(cccc1Br)O 4a_100000189765_100009814793 [0,1,0,0,0,1|2,0,0]=4 1338 B14R1.4920 CC(=O)NN=Cc1c(cccc1Cl)O 4a_100000189765_100000741911 [0,1,0,0,0,1|2,0,0]=4 1339 B14R1.4920 CC(=O)NN=Cc1c(cccc1F)O 4a_100000189765_100011217653 [0,1,0,0,0,1|2,0,0]=4 1340 B14R1.4920 CC(=O)NN=Cc1c(cccc1I)O 4a_100000189765_100010193437 [0,1,0,0,0,1|2,0,0]=4 1341 B14R1.4920 CC(=O)NN=Cc1c(cccc1O)C 4a_100000189765_100009858367 [0,1,0,0,0,1|2,0,0]=4 1342 B14R1.4920 CC(=O)NN=Cc1c(cccc1O)O 4a_100000189765_100000050391 [0,1,0,0,0,1|2,0,0]=4 1343 B14R1.6072 CC(=O)NN=Cc1cc(ccc1O)Br 4a_100000189765_100000186750 [0,1,0,0,0,1|2,0,0]=4 1344 B14R1.6072 CC(=O)NN=Cc1cc(ccc1O)C 4a_100000189765_100000744884 [0,1,0,0,0,1|2,0,0]=4 1345 B14R1.6072 CC(=O)NN=Cc1cc(ccc1O)Cl 4a_100000189765_100000188317 [0,1,0,0,0,1|2,0,0]=4 1346 B14R1.6072 CC(=O)NN=Cc1cc(ccc1O)F 4a_100000189765_100000742802 [0,1,0,0,0,1|2,0,0]=4 1347 B14R1.6072 CC(=O)NN=Cc1cc(ccc1O)I 4a_100000189765_100011215628 [0,1,0,0,0,1|2,0,0]=4 1348 B14R1.6072 CC(=O)NN=Cc1cc(ccc1O)O 4a_100000189765_100011219918 [0,1,0,0,0,1|2,0,0]=4 1349 B14R1.6072 O=C(O)CNCc1cc(ccc1O)F 269956a_100016091260_100010161318 [0,1,0,0,0,1|0,0,2]=4 1350 B14R1.93 CC(C)(O)C=Cc1ccccc1CO 271570a_200016258132_100000187465 [0,2,0,0,0,0|1,0,1]=4 1351 B14R1.93 COc1ccccc1C=CC(C)(C)O 271570a_200016258132_100000174000 [0,2,0,0,0,0|1,0,1]=4 1352 B14R1.118 CC(O)C=Cc1cccc(c1CO)F 271570a_200011019289_100012355691 [0,2,0,0,0,0|1,0,1]=4 1353 B14R1.118 CC(O)C=Cc1cccc(c1CO)N 271570a_200011019289_100000747656 [0,2,0,0,0,0|1,0,1]=4 1354 B14R1.118 COc1c(cccc1C=CC(=O)C)F 1458a_100102526134_200000210301 [0,2,0,0,0,0|1,0,0]=3 1355 B14R1.118 COc1c(cccc1C=CC(=O)[13CH3])F 1458a_100102526134_200025704644 [0,2,0,0,0,0|1,0,0]=3 1356 B14R1.118 COc1c(cccc1C=CC(C)O)Br 271570a_200011019289_100010146560 [0,2,0,0,0,0|1,0,1]=4 1357 B14R1.118 COc1c(cccc1C=CC(C)O)C 271570a_200011019289_100010141385 [0,2,0,0,0,0|1,0,1]=4 1358 B14R1.118 COc1c(cccc1C=CC(C)O)Cl 271570a_200011019289_100010147678 [0,2,0,0,0,0|1,0,1]=4 1359 B14R1.118 COc1c(cccc1C=CC(C)O)F 271570a_200011019289_100009816759 [0,2,0,0,0,0|1,0,1]=4 1360 B14R1.118 COc1c(cccc1C=CC(C)O)N 271570a_200011019289_100011935253 [0,2,0,0,0,0|1,0,1]=4 1361 B14R1.118 COc1c(cccc1C=CC(C)O)O 271570a_200011019289_100010234590 [0,2,0,0,0,0|1,0,1]=4 1362 B14R1.482 CC(O)C=Cc1ccccc1CCO 271570a_200011019289_100000731337 [0,2,0,0,0,0|1,0,1]=4 1363 B14R1.482 CCOc1ccccc1C=CC(=O)C 1458a_100016304775_200000210301 [0,2,0,0,0,0|1,0,0]=3 1364 B14R1.482 CCOc1ccccc1C=CC(=O)[13CH3] 1458a_100016304775_200025704644 [0,2,0,0,0,0|1,0,0]=3 1365 B14R1.482 CCOc1ccccc1C=CC(C)O 271570a_200011019289_100000230754 [0,2,0,0,0,0|1,0,1]=4 1366 B14R1.482 COCc1ccccc1C=CC(C)O 271570a_200011019289_100011493684 [0,2,0,0,0,0|1,0,1]=4 1367 B14R1.840 COc1ccccc1C(=O)CC(=O)C 1458a_100000070787_100000195505 [0,2,0,0,0,0|1,0,1]=4 1368 B14R1.840 COc1ccccc1C(=O)CC(=O)N 1458a_100000185835_100000187820 [0,2,0,0,0,0|1,0,1]=4 1369 B14R1.840 COc1ccccc1C(=O)CC(=O)[O-] 1458a_100000185835_100020667443 [0,2,0,0,0,0|0,0,2]=4 1370 B14R1.840 COc1ccccc1N(C)CC(=O)O 269956a_100000744073_200000210301 [0,2,0,0,0,0|1,0,1]=4 1371 B14R1.840 COc1ccccc1N([13CH3])CC(=O)O 269956a_100000744073_200025704644 [0,2,0,0,0,0|1,0,1]=4 1372 B14R1.840 NC(=O)CC(=O)c1ccccc1CO 1458a_100011301526_100000187820 [0,2,0,0,0,0|1,0,1]=4 1373 B14R1.840 O=C([O-])CC(=O)c1ccccc1CO 1458a_100011301526_100020667443 [0,2,0,0,0,0|0,0,2]=4 1374 B14R1.863 C=Cc1ccccc1/C=C/C(=O)OC 271570a_100011290941_100000151022 [0,2,0,0,0,0|1,0,0]=3 1375 B14R1.863 CCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210202 [0,2,0,0,0,0|2,0,0]=4 1376 B14R1.863 CCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210202 [0,2,0,0,0,0|1,0,0]=3 1377 B14R1.863 CCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210202 [0,2,0,0,0,0|2,0,0]=4 1378 B14R1.863 CNC(=O)C=Cc1ccccc1C#N 11a_106832991635_100016294624 [0,2,0,0,0,0|2,0,0]=4 1379 B14R1.863 CNC(=O)C=Cc1ccccc1OC 11a_106832991635_100000182468 [0,2,0,0,0,0|1,0,0]=3 1380 B14R1.863 CNC(=O)C=Cc1ccccc1OC 1626a_100102657272_100000182468 [0,2,0,0,0,0|1,0,0]=3 1381 B14R1.863 CNC(=O)C=Cc1cccnc1OC 11a_106832991635_100102601226 [0,2,0,0,0,0|2,0,0]=4 1382 B14R1.863 CNC(=O)C=Cc1cccnc1OC 1626a_100102657272_100102601226 [0,2,0,0,0,0|2,0,0]=4 1383 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_100000151022_200000210301 [0,2,0,0,0,0|0,1,0]=3 1384 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_200000210301_100000151022 [0,2,0,0,0,0|0,1,0]=3 1385 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_100000151022_200025704644 [0,2,0,0,0,0|0,1,0]=3 1386 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_200025704644_100000151022 [0,2,0,0,0,0|0,1,0]=3 1387 B14R1.863 COC(=O)C=Cc1ccccc1OC 34a_200012823195_200000210301 [0,2,0,0,0,0|0,0,0]=2 1388 B14R1.863 COC(=O)C=Cc1ccccc1O[13CH3] 34a_200012823195_200025704644 [0,2,0,0,0,0|0,0,0]=2 1389 B14R1.863 COC(=O)CCc1ccccc1OC 34a_200000148576_200000210301 [0,2,0,0,0,0|0,0,2]=4 1390 B14R1.863 COC(=O)CCc1ccccc1OC 7a_200000148576_200000210301 [0,2,0,0,0,0|0,0,2]=4 1391 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 34a_200000148576_200025704644 [0,2,0,0,0,0|0,0,2]=4 1392 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 7a_200000148576_200025704644 [0,2,0,0,0,0|0,0,2]=4 1393 B14R1.863 COC(=O)CNc1ccccc1CO 34a_100000212039_100000747449 [0,2,0,0,0,0|1,0,1]=4 1394 B14R1.863 COC(=O)CNc1ccccc1OC 34a_100000210025_100000747449 [0,2,0,0,0,0|1,0,1]=4 1395 B14R1.863 COC(=O)COc1ccccc1CO 34a_100011216872_100000747449 [0,2,0,0,0,0|1,0,1]=4 1396 B14R1.863 COC(=O)COc1ccccc1OC 34a_100000210385_100000747449 [0,2,0,0,0,0|1,0,1]=4 1397 B14R1.863 COC(=O)CSc1ccccc1CO 62a_100000187465_100000747449 [0,2,0,0,0,0|1,0,1]=4 1398 B14R1.863 COC(=O)CSc1ccccc1CO 62a_100000747449_100000187465 [0,2,0,0,0,0|1,0,1]=4 1399 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000210334_100000747449 [0,2,0,0,0,0|1,0,1]=4 1400 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000747449_100000210334 [0,2,0,0,0,0|1,0,1]=4 1401 B14R1.863 COc1ccccc1C=CC(=O)CF 1458a_100000182468_100015361967 [0,2,0,0,0,0|1,0,0]=3 1402 B14R1.863 COc1ccccc1CCC(=O)CO 1458a_100000210174_100011713687 [0,2,0,0,0,0|0,0,2]=4 1403 B14R1.863 COc1ccccc1CNC(=O)CO 240690a_100000188900_100000210174 [0,2,0,0,0,0|1,0,1]=4 1404 B14R1.863 COc1ccccc1CNC(=O)CO 527a_100000188900_100000210174 [0,2,0,0,0,0|1,0,1]=4 1405 B14R1.863 COc1ccccc1NNC(=O)CO 22a_100000751209_100000210174 [0,2,0,0,0,0|2,0,0]=4 1406 B14R1.863 COc1ncccc1C=CC(=O)CF 1458a_100102601226_100015361967 [0,2,0,0,0,0|2,0,0]=4 1407 B14R1.863 N#Cc1ccccc1C=CC(=O)CF 1458a_100016294624_100015361967 [0,2,0,0,0,0|2,0,0]=4 1408 B14R1.863 O=C(CO)NCc1ccccc1CO 240690a_100000743596_100000210174 [0,2,0,0,0,0|1,0,1]=4 1409 B14R1.863 O=C(CO)NCc1ccccc1CO 527a_100000743596_100000210174 [0,2,0,0,0,0|1,0,1]=4 1410 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)Br 271570a_200011019289_100011356890 [0,2,0,0,0,0|1,0,1]=4 1411 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)F 271570a_200011019289_100011217561 [0,2,0,0,0,0|1,0,1]=4 1412 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)N 271570a_200011019289_100012347228 [0,2,0,0,0,0|1,0,1]=4 1413 B14R1.1600 CC(O)C=Cc1ccc(cc1CO)O 271570a_200011019289_100012351483 [0,2,0,0,0,0|1,0,1]=4 1414 B14R1.1600 COc1cc(ccc1C=CC(C)O)Br 271570a_200011019289_100010245111 [0,2,0,0,0,0|1,0,1]=4 1415 B14R1.1600 COc1cc(ccc1C=CC(C)O)C 271570a_200011019289_100010200004 [0,2,0,0,0,0|1,0,1]=4 1416 B14R1.1600 COc1cc(ccc1C=CC(C)O)Cl 271570a_200011019289_100000050115 [0,2,0,0,0,0|1,0,1]=4 1417 B14R1.1600 COc1cc(ccc1C=CC(C)O)F 271570a_200011019289_100000757151 [0,2,0,0,0,0|1,0,1]=4 1418 B14R1.1600 COc1cc(ccc1C=CC(C)O)N 271570a_200011019289_100000765947 [0,2,0,0,0,0|1,0,1]=4 1419 B14R1.1600 COc1cc(ccc1C=CC(C)O)O 271570a_200011019289_100011827694 [0,2,0,0,0,0|1,0,1]=4 1420 B14R1.1600 Cc1ccc(c(c1)CO)C=CC(C)O 271570a_200011019289_100012361352 [0,2,0,0,0,0|1,0,1]=4 1421 B14R1.1865 CC(O)C=Cc1cc(ccc1CO)Br 271570a_200011019289_100010146605 [0,2,0,0,0,0|1,0,1]=4 1422 B14R1.1865 CC(O)C=Cc1cc(ccc1CO)Cl 271570a_200011019289_100000722340 [0,2,0,0,0,0|1,0,1]=4 1423 B14R1.1865 CC(O)C=Cc1cc(ccc1CO)F 271570a_200011019289_100000744086 [0,2,0,0,0,0|1,0,1]=4 1424 B14R1.1865 CC(O)C=Cc1cc(ccc1CO)O 271570a_200011019289_100010146404 [0,2,0,0,0,0|1,0,1]=4 1425 B14R1.1865 COc1ccc(cc1C=CC(=O)C)Br 1458a_100016277830_200000210301 [0,2,0,0,0,0|1,0,0]=3 1426 B14R1.1865 COc1ccc(cc1C=CC(=O)C)C 1458a_100000702827_200000210301 [0,2,0,0,0,0|1,0,0]=3 1427 B14R1.1865 COc1ccc(cc1C=CC(=O)C)Cl 1458a_100000188112_200000210301 [0,2,0,0,0,0|1,0,0]=3 1428 B14R1.1865 COc1ccc(cc1C=CC(=O)C)F 1458a_100102526136_200000210301 [0,2,0,0,0,0|1,0,0]=3 1429 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])Br 1458a_100016277830_200025704644 [0,2,0,0,0,0|1,0,0]=3 1430 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])C 1458a_100000702827_200025704644 [0,2,0,0,0,0|1,0,0]=3 1431 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])Cl 1458a_100000188112_200025704644 [0,2,0,0,0,0|1,0,0]=3 1432 B14R1.1865 COc1ccc(cc1C=CC(=O)[13CH3])F 1458a_100102526136_200025704644 [0,2,0,0,0,0|1,0,0]=3 1433 B14R1.1865 COc1ccc(cc1C=CC(C)O)Br 271570a_200011019289_100012351588 [0,2,0,0,0,0|1,0,1]=4 1434 B14R1.1865 COc1ccc(cc1C=CC(C)O)C 271570a_200011019289_100000186399 [0,2,0,0,0,0|1,0,1]=4 1435 B14R1.1865 COc1ccc(cc1C=CC(C)O)Cl 271570a_200011019289_100011215930 [0,2,0,0,0,0|1,0,1]=4 1436 B14R1.1865 COc1ccc(cc1C=CC(C)O)F 271570a_200011019289_100000171694 [0,2,0,0,0,0|1,0,1]=4 1437 B14R1.1865 COc1ccc(cc1C=CC(C)O)N 271570a_200011019289_100000187427 [0,2,0,0,0,0|1,0,1]=4 1438 B14R1.1865 COc1ccc(cc1C=CC(C)O)O 271570a_200011019289_100010084122 [0,2,0,0,0,0|1,0,1]=4 1439 B14R1.2172 CC(O)C=Cc1c(cccc1C#N)O 271570a_200011019289_100009818990 [0,2,0,0,0,0|1,0,1]=4 1440 B14R1.2172 CC(O)C=Cc1c(cccc1C=O)O 271570a_200011019289_100009816417 [0,2,0,0,0,0|1,0,1]=4 1441 B14R1.2172 CC(O)C=Cc1c(cccc1CO)Br 271570a_200011019289_100010146604 [0,2,0,0,0,0|1,0,1]=4 1442 B14R1.2172 CC(O)C=Cc1c(cccc1CO)F 271570a_200011019289_100000692438 [0,2,0,0,0,0|1,0,1]=4 1443 B14R1.2172 COc1cccc(c1C=CC(C)O)Br 271570a_200011019289_100010131421 [0,2,0,0,0,0|1,0,1]=4 1444 B14R1.2172 COc1cccc(c1C=CC(C)O)F 271570a_200011019289_100000041735 [0,2,0,0,0,0|1,0,1]=4 1445 B14R1.2172 COc1cccc(c1C=CC(C)O)N 271570a_200011019289_100000703447 [0,2,0,0,0,0|1,0,1]=4 1446 B14R1.2172 COc1cccc(c1C=CC(C)O)O 271570a_200011019289_100010202623 [0,2,0,0,0,0|1,0,1]=4 1447 B14R1.2172 Cc1cccc(c1C=CC(C)O)CO 271570a_200011019289_100011659289 [0,2,0,0,0,0|1,0,1]=4 1448 B14R1.3135 C/C(=C\c1ccccc1O[13CH3])/[N+](=O)[O-] 34a_200039083493_200025704644 [0,2,0,0,0,0|1,0,1]=4 1449 B14R1.3135 C/C(=C\c1ccccc1O[13CH3])/[N+](=O)[O-] 7a_200039083493_200025704644 [0,2,0,0,0,0|1,0,1]=4 1450 B14R1.3135 COc1ccccc1/C=C(\C)/[N+](=O)[O-] 34a_200039083493_200000210301 [0,2,0,0,0,0|1,0,1]=4 1451 B14R1.3135 COc1ccccc1/C=C(\C)/[N+](=O)[O-] 7a_200039083493_200000210301 [0,2,0,0,0,0|1,0,1]=4 1452 B14R1.3135 COc1ccccc1NC(=O)C(=O)C 1458a_200011297187_200000210301 [0,2,0,0,0,0|2,0,0]=4 1453 B14R1.3135 COc1ccccc1NC(=O)C(=O)N 22a_100000210025_100011215815 [0,2,0,0,0,0|2,0,0]=4 1454 B14R1.3135 COc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297187_200025704644 [0,2,0,0,0,0|2,0,0]=4 1455 B14R1.3135 NC(=O)C(=O)Nc1ccccc1CO 22a_100000212039_100011215815 [0,2,0,0,0,0|2,0,0]=4 1456 B14R1.4522 CC(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200000210301 [0,2,0,0,0,0|1,0,1]=4 1457 B14R1.4522 CC(O)C=Cc1ccccc1B(O)O 271570a_200011019289_100000693059 [0,2,0,0,0,0|1,0,1]=4 1458 B14R1.4522 CC(O)C=Cc1ccccc1C(C)O 271570a_200011019289_100000702211 [0,2,0,0,0,0|1,0,1]=4 1459 B14R1.4522 [13CH3]C(=O)C=Cc1ccccc1[N+](=O)[O-] 1458a_100000183330_200025704644 [0,2,0,0,0,0|1,0,1]=4 1460 B14R1.15 CCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000210202 [0,2,0,0,0,0|2,0,0]=4 1461 B14R1.15 CCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000210202 [0,2,0,0,0,0|2,0,0]=4 1462 B14R1.15 CCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000210202 [0,2,0,0,0,0|2,0,0]=4 1463 B14R1.15 CCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000210202 [0,2,0,0,0,0|2,0,0]=4 1464 B14R1.15 CCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000210202 [0,2,0,0,0,0|2,0,0]=4 1465 B14R1.15 CCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100000211110 [0,2,0,0,0,0|2,0,0]=4 1466 B14R1.15 CCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100000211110 [0,2,0,0,0,0|2,0,0]=4 1467 B14R1.15 CCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100000211110 [0,2,0,0,0,0|2,0,0]=4 1468 B14R1.15 CNC(=O)C=Cc1cccc(c1C)F 11a_106832991635_100102526135 [0,2,0,0,0,0|2,0,0]=4 1469 B14R1.15 CNC(=O)C=Cc1cccc(c1C)F 1626a_100102657272_100102526135 [0,2,0,0,0,0|2,0,0]=4 1470 B14R1.15 CNC(=O)C=Cc1cccc(c1C)F 240690a_100102657272_100102526135 [0,2,0,0,0,0|2,0,0]=4 1471 B14R1.15 CNC(=O)C=Cc1cccc(c1Cl)Cl 11a_106832991635_100000184505 [0,2,0,0,0,0|2,0,0]=4 1472 B14R1.15 CNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100102657272_100000184505 [0,2,0,0,0,0|2,0,0]=4 1473 B14R1.15 CNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100102657272_100000184505 [0,2,0,0,0,0|2,0,0]=4 1474 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Br 11a_106832991635_100012351547 [0,2,0,0,0,0|2,0,0]=4 1475 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Br 1626a_100102657272_100012351547 [0,2,0,0,0,0|2,0,0]=4 1476 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Br 240690a_100102657272_100012351547 [0,2,0,0,0,0|2,0,0]=4 1477 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Cl 11a_106832991635_100011217667 [0,2,0,0,0,0|2,0,0]=4 1478 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Cl 1626a_100102657272_100011217667 [0,2,0,0,0,0|2,0,0]=4 1479 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Cl 240690a_100102657272_100011217667 [0,2,0,0,0,0|2,0,0]=4 1480 B14R1.15 CNC(=O)C=Cc1cccc(c1F)F 11a_106832991635_100102526107 [0,2,0,0,0,0|2,0,0]=4 1481 B14R1.15 CNC(=O)C=Cc1cccc(c1F)F 1626a_100102657272_100102526107 [0,2,0,0,0,0|2,0,0]=4 1482 B14R1.15 CNC(=O)C=Cc1cccc(c1F)F 240690a_100102657272_100102526107 [0,2,0,0,0,0|2,0,0]=4 1483 B14R1.15 COC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000747449 [0,2,0,0,0,0|1,0,1]=4 1484 B14R1.15 COC(=O)CNc1cccc(c1O)C 34a_100000756359_100000747449 [0,2,0,0,0,0|1,0,1]=4 1485 B14R1.15 COC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000747449 [0,2,0,0,0,0|1,0,1]=4 1486 B14R1.15 COC(=O)CNc1cccc(c1O)F 34a_100011934987_100000747449 [0,2,0,0,0,0|1,0,1]=4 1487 B14R1.15 COC(=O)CSc1cccc(c1O)Br 62a_100000747449_100010084509 [0,2,0,0,0,0|1,0,1]=4 1488 B14R1.15 COC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000747449 [0,2,0,0,0,0|1,0,1]=4 1489 B14R1.15 COC(=O)CSc1cccc(c1O)C 62a_100000747449_100009817157 [0,2,0,0,0,0|1,0,1]=4 1490 B14R1.15 COC(=O)CSc1cccc(c1O)C 62a_100009817157_100000747449 [0,2,0,0,0,0|1,0,1]=4 1491 B14R1.15 COC(=O)CSc1cccc(c1O)Cl 62a_100000747449_100010202889 [0,2,0,0,0,0|1,0,1]=4 1492 B14R1.15 COC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000747449 [0,2,0,0,0,0|1,0,1]=4 1493 B14R1.15 COC(=O)CSc1cccc(c1O)F 62a_100000747449_100009813666 [0,2,0,0,0,0|1,0,1]=4 1494 B14R1.15 COC(=O)CSc1cccc(c1O)F 62a_100009813666_100000747449 [0,2,0,0,0,0|1,0,1]=4 1495 B14R1.15 COC(=O)CSc1cccc(c1O)N 62a_100000747449_100010084371 [0,2,0,0,0,0|1,0,1]=4 1496 B14R1.15 COC(=O)CSc1cccc(c1O)N 62a_100011934915_100000747449 [0,2,0,0,0,0|1,0,1]=4 1497 B14R1.15 COC(=O)CSc1cccc(c1O)O 62a_100000747449_100009815950 [0,2,0,0,0,0|1,0,1]=4 1498 B14R1.15 Cc1c(cccc1C=CC(=O)CF)F 1458a_100102526135_100015361967 [0,2,0,0,0,0|2,0,0]=4 1499 B14R1.15 Cc1cccc(c1O)CNC(=O)CO 240690a_100020639391_100000210174 [0,2,0,0,0,0|1,0,1]=4 1500 B14R1.15 Cc1cccc(c1O)CNC(=O)CO 527a_100020639391_100000210174 [0,2,0,0,0,0|1,0,1]=4 1501 B14R1.15 O=C(C=Cc1cccc(c1Cl)Cl)CF 1458a_100000184505_100015361967 [0,2,0,0,0,0|2,0,0]=4 1502 B14R1.15 O=C(C=Cc1cccc(c1F)Br)CF 1458a_100012351547_100015361967 [0,2,0,0,0,0|2,0,0]=4 1503 B14R1.15 O=C(C=Cc1cccc(c1F)Cl)CF 1458a_100011217667_100015361967 [0,2,0,0,0,0|2,0,0]=4 1504 B14R1.15 O=C(C=Cc1cccc(c1F)F)CBr 6a_100000753312_100009888967 [0,2,0,0,0,0|2,0,0]=4 1505 B14R1.15 O=C(C=Cc1cccc(c1F)F)CCl 6a_100000753312_100000086384 [0,2,0,0,0,0|2,0,0]=4 1506 B14R1.15 O=C(C=Cc1cccc(c1F)F)CF 1458a_100102526107_100015361967 [0,2,0,0,0,0|2,0,0]=4 1507 B14R1.15 O=C(C=Cc1cccc(c1F)F)CF 6a_100000753312_100000764096 [0,2,0,0,0,0|2,0,0]=4 1508 B14R1.15 O=C(C=Cc1cccc(c1F)I)CBr 6a_100010202174_100009888967 [0,2,0,0,0,0|2,0,0]=4 1509 B14R1.15 O=C(C=Cc1cccc(c1F)I)CCl 6a_100010202174_100000086384 [0,2,0,0,0,0|2,0,0]=4 1510 B14R1.15 O=C(C=Cc1cccc(c1F)I)CF 6a_100010202174_100000764096 [0,2,0,0,0,0|2,0,0]=4 1511 B14R1.15 O=C(C=Cc1cccc(c1I)F)CBr 6a_100010186293_100009888967 [0,2,0,0,0,0|2,0,0]=4 1512 B14R1.15 O=C(C=Cc1cccc(c1I)F)CCl 6a_100010186293_100000086384 [0,2,0,0,0,0|2,0,0]=4 1513 B14R1.15 O=C(C=Cc1cccc(c1I)F)CF 6a_100010186293_100000764096 [0,2,0,0,0,0|2,0,0]=4 1514 B14R1.81 CC(O)C=Cc1cccc(c1O)C#N 271570a_200011019289_100009817103 [0,2,0,0,0,0|1,0,1]=4 1515 B14R1.81 CC(O)C=Cc1cccc(c1O)C=O 271570a_200011019289_100000737635 [0,2,0,0,0,0|1,0,1]=4 1516 B14R1.81 CCc1cccc(c1O)C=CC(C)O 271570a_200011019289_200010001580 [0,2,0,0,0,0|1,0,1]=4 1517 B14R1.81 COc1cccc(c1O)C=CC(C)O 271570a_200011019289_100000686866 [0,2,0,0,0,0|1,0,1]=4 1518 B14R1.152 Cc1cccc(c1O)C(=O)CC(=O)N 1458a_100000183896_100000187820 [0,2,0,0,0,0|1,0,1]=4 1519 B14R1.152 Cc1cccc(c1O)C(=O)CC(=O)[O-] 1458a_100000183896_100020667443 [0,2,0,0,0,0|0,0,2]=4 1520 B14R1.152 NC(=O)CC(=O)c1cccc(c1O)Br 1458a_100000752940_100000187820 [0,2,0,0,0,0|1,0,1]=4 1521 B14R1.152 NC(=O)CC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000187820 [0,2,0,0,0,0|1,0,1]=4 1522 B14R1.152 NC(=O)CC(=O)c1cccc(c1O)F 1458a_100011217230_100000187820 [0,2,0,0,0,0|1,0,1]=4 1523 B14R1.152 NC(=O)CC(=O)c1cccc(c1O)O 1458a_100000690420_100000187820 [0,2,0,0,0,0|1,0,1]=4 1524 B14R1.152 O=C([O-])CC(=O)c1cccc(c1O)Br 1458a_100000752940_100020667443 [0,2,0,0,0,0|0,0,2]=4 1525 B14R1.152 O=C([O-])CC(=O)c1cccc(c1O)Cl 1458a_100000742801_100020667443 [0,2,0,0,0,0|0,0,2]=4 1526 B14R1.152 O=C([O-])CC(=O)c1cccc(c1O)F 1458a_100011217230_100020667443 [0,2,0,0,0,0|0,0,2]=4 1527 B14R1.152 O=C([O-])CC(=O)c1cccc(c1O)O 1458a_100000690420_100020667443 [0,2,0,0,0,0|0,0,2]=4 1528 B14R1.153 Cc1cccc(c1O)NC(=O)C(=O)N 22a_100000756359_100011215815 [0,2,0,0,0,0|2,0,0]=4 1529 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)Br 22a_100011934915_100011215815 [0,2,0,0,0,0|2,0,0]=4 1530 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)Cl 22a_100000754742_100011215815 [0,2,0,0,0,0|2,0,0]=4 1531 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)F 22a_100011934987_100011215815 [0,2,0,0,0,0|2,0,0]=4 1532 B14R1.153 NC(=O)C(=O)Nc1cccc(c1O)I 22a_100010084371_100011215815 [0,2,0,0,0,0|2,0,0]=4 1533 B14R1.3150 CC(=O)C=Cc1cc(cc(c1F)F)F 1458a_100102561867_200000210301 [0,2,0,0,0,0|2,0,0]=4 1534 B14R1.3150 CC(O)C=Cc1cc(cc(c1O)Br)F 271570a_200011019289_200013085147 [0,2,0,0,0,0|1,0,1]=4 1535 B14R1.3150 CC(O)C=Cc1cc(cc(c1O)Cl)Cl 271570a_200011019289_200012339341 [0,2,0,0,0,0|1,0,1]=4 1536 B14R1.3150 CC(O)C=Cc1cc(cc(c1O)F)Br 271570a_200011019289_100013354677 [0,2,0,0,0,0|1,0,1]=4 1537 B14R1.3150 CC(O)C=Cc1cc(cc(c1O)F)F 271570a_200011019289_100000688693 [0,2,0,0,0,0|1,0,1]=4 1538 B14R1.3150 CC(O)C=Cc1cc(cc(c1O)N)F 271570a_200011019289_200011217456 [0,2,0,0,0,0|1,0,1]=4 1539 B14R1.3150 Cc1cc(c(c(c1)C=CC(C)O)O)C 271570a_200011019289_100011934984 [0,2,0,0,0,0|1,0,1]=4 1540 B14R1.3150 Cc1cc(c(c(c1)C=CC(C)O)O)F 271570a_200011019289_200135191068 [0,2,0,0,0,0|1,0,1]=4 1541 B14R1.3150 Cc1cc(cc(c1O)C=CC(C)O)Cl 271570a_200011019289_100012343667 [0,2,0,0,0,0|1,0,1]=4 1542 B14R1.3150 Cc1cc(cc(c1O)C=CC(C)O)N 271570a_200011019289_100010064301 [0,2,0,0,0,0|1,0,1]=4 1543 B14R1.3150 [13CH3]C(=O)C=Cc1cc(cc(c1F)F)F 1458a_100102561867_200025704644 [0,2,0,0,0,0|2,0,0]=4 1544 B14R1.5967 CC(C)(O)C=Cc1cccc(c1O)Br 271570a_200016258132_100010084509 [0,2,0,0,0,0|1,0,1]=4 1545 B14R1.5967 CC(C)(O)C=Cc1cccc(c1O)Cl 271570a_200016258132_100010202889 [0,2,0,0,0,0|1,0,1]=4 1546 B14R1.5967 CC(C)(O)C=Cc1cccc(c1O)F 271570a_200016258132_100009813666 [0,2,0,0,0,0|1,0,1]=4 1547 B14R1.5967 CC(C)(O)C=Cc1cccc(c1O)N 271570a_200016258132_100011934915 [0,2,0,0,0,0|1,0,1]=4 1548 B14R1.5967 CC(C)(O)C=Cc1cccc(c1O)O 271570a_200016258132_100009815950 [0,2,0,0,0,0|1,0,1]=4 1549 B14R1.5967 Cc1cccc(c1O)C=CC(C)(C)O 271570a_200016258132_100009817157 [0,2,0,0,0,0|1,0,1]=4 1550 B14R1.6054 CC(=O)C=Cc1c(ccc(c1Cl)C)F 1458a_100016287761_200000210301 [0,2,0,0,0,0|2,0,0]=4 1551 B14R1.6054 CC(=O)C=Cc1c(ccc(c1Cl)F)F 1458a_100016276924_200000210301 [0,2,0,0,0,0|2,0,0]=4 1552 B14R1.6054 CC(=O)C=Cc1c(ccc(c1F)F)F 1458a_100016261407_200000210301 [0,2,0,0,0,0|2,0,0]=4 1553 B14R1.6054 CC(O)C=Cc1c(ccc(c1O)F)F 271570a_200011019289_100010170822 [0,2,0,0,0,0|1,0,1]=4 1554 B14R1.6054 Cc1ccc(c(c1C=CC(C)O)O)F 271570a_200011019289_200010223207 [0,2,0,0,0,0|1,0,1]=4 1555 B14R1.6054 Cc1ccc(c(c1Cl)C=CC(=O)[13CH3])F 1458a_100016287761_200025704644 [0,2,0,0,0,0|2,0,0]=4 1556 B14R1.6054 [13CH3]C(=O)C=Cc1c(ccc(c1Cl)F)F 1458a_100016276924_200025704644 [0,2,0,0,0,0|2,0,0]=4 1557 B14R1.6054 [13CH3]C(=O)C=Cc1c(ccc(c1F)F)F 1458a_100016261407_200025704644 [0,2,0,0,0,0|2,0,0]=4 1558 B14R1.6059 CC(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200000210301 [0,2,0,0,0,0|2,0,0]=4 1559 B14R1.6059 CC(O)C=Cc1ccc(c(c1O)F)F 271570a_200011019289_100010243909 [0,2,0,0,0,0|1,0,1]=4 1560 B14R1.6059 Cc1c(ccc(c1O)C=CC(C)O)F 271570a_200011019289_200010391124 [0,2,0,0,0,0|1,0,1]=4 1561 B14R1.6059 Cc1ccc(c(c1F)O)C=CC(C)O 271570a_200011019289_100000722096 [0,2,0,0,0,0|1,0,1]=4 1562 B14R1.6059 [13CH3]C(=O)C=Cc1ccc(c(c1F)F)F 1458a_100016275240_200025704644 [0,2,0,0,0,0|2,0,0]=4 1563 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)Br 271570a_200016258132_100012344904 [0,2,0,0,0,0|1,0,1]=4 1564 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)Cl 271570a_200016258132_100000050036 [0,2,0,0,0,0|1,0,1]=4 1565 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)F 271570a_200016258132_100000690578 [0,2,0,0,0,0|1,0,1]=4 1566 B14R1.4463 CC(C)(O)C=Cc1ccc(cc1O)O 271570a_200016258132_100009813921 [0,2,0,0,0,0|1,0,1]=4 1567 B14R1.4463 Cc1ccc(c(c1)O)C=CC(C)(C)O 271570a_200016258132_100012002257 [0,2,0,0,0,0|1,0,1]=4 1568 B14R1.4921 CC(C)(O)C=Cc1c(cccc1Br)O 271570a_200016258132_100010187912 [0,2,0,0,0,0|1,0,1]=4 1569 B14R1.4921 CC(C)(O)C=Cc1c(cccc1Cl)O 271570a_200016258132_100000050174 [0,2,0,0,0,0|1,0,1]=4 1570 B14R1.4921 CC(C)(O)C=Cc1c(cccc1F)O 271570a_200016258132_100009820682 [0,2,0,0,0,0|1,0,1]=4 1571 B14R1.4921 CC(C)(O)C=Cc1c(cccc1O)N 271570a_200016258132_100012183704 [0,2,0,0,0,0|1,0,1]=4 1572 B14R1.4921 CC(C)(O)C=Cc1c(cccc1O)O 271570a_200016258132_100010205330 [0,2,0,0,0,0|1,0,1]=4 1573 B14R1.4921 Cc1cccc(c1C=CC(C)(C)O)O 271570a_200016258132_100000686692 [0,2,0,0,0,0|1,0,1]=4 1574 B14R1.6073 CC(C)(O)C=Cc1cc(ccc1O)Br 271570a_200016258132_100012355227 [0,2,0,0,0,0|1,0,1]=4 1575 B14R1.6073 CC(C)(O)C=Cc1cc(ccc1O)Cl 271570a_200016258132_100011356953 [0,2,0,0,0,0|1,0,1]=4 1576 B14R1.6073 CC(C)(O)C=Cc1cc(ccc1O)F 271570a_200016258132_100000211999 [0,2,0,0,0,0|1,0,1]=4 1577 B14R1.6073 CC(C)(O)C=Cc1cc(ccc1O)N 271570a_200016258132_100011534360 [0,2,0,0,0,0|1,0,1]=4 1578 B14R1.6073 CC(C)(O)C=Cc1cc(ccc1O)O 271570a_200016258132_100009813629 [0,2,0,0,0,0|1,0,1]=4 1579 B14R1.6073 Cc1ccc(c(c1)C=CC(C)(C)O)O 271570a_200016258132_100000765521 [0,2,0,0,0,0|1,0,1]=4 1580 B14R1.103 CC(O)C=Cc1ccc(cc1O)C#N 271570a_200011019289_100000724445 [0,2,0,0,0,0|1,0,1]=4 1581 B14R1.103 CC(O)C=Cc1ccc(cc1O)C=O 271570a_200011019289_100000041418 [0,2,0,0,0,0|1,0,1]=4 1582 B14R1.103 CC(O)C=Cc1ccc(cc1O)CO 271570a_200011019289_100000049605 [0,2,0,0,0,0|1,0,1]=4 1583 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)C 1458a_200102525171_200000210301 [0,2,0,0,0,0|2,0,0]=4 1584 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)[13CH3] 1458a_200102525171_200025704644 [0,2,0,0,0,0|2,0,0]=4 1585 B14R1.103 COc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100000719091 [0,2,0,0,0,0|1,0,1]=4 1586 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210202 [0,2,0,0,0,0|2,0,0]=4 1587 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000211110 [0,2,0,0,0,0|2,0,0]=4 1588 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210202 [0,2,0,0,0,0|2,0,0]=4 1589 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210202 [0,2,0,0,0,0|2,0,0]=4 1590 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210202 [0,2,0,0,0,0|2,0,0]=4 1591 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000211110 [0,2,0,0,0,0|2,0,0]=4 1592 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210202 [0,2,0,0,0,0|2,0,0]=4 1593 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000211110 [0,2,0,0,0,0|2,0,0]=4 1594 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000211110 [0,2,0,0,0,0|2,0,0]=4 1595 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210202 [0,2,0,0,0,0|2,0,0]=4 1596 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210202 [0,2,0,0,0,0|2,0,0]=4 1597 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000211110 [0,2,0,0,0,0|2,0,0]=4 1598 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000211110 [0,2,0,0,0,0|2,0,0]=4 1599 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000211110 [0,2,0,0,0,0|2,0,0]=4 1600 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000211110 [0,2,0,0,0,0|2,0,0]=4 1601 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000211110 [0,2,0,0,0,0|2,0,0]=4 1602 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000211110 [0,2,0,0,0,0|2,0,0]=4 1603 B14R1.727 CCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000211110 [0,2,0,0,0,0|1,0,0]=3 1604 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 11a_106832991635_200102591336 [0,2,0,0,0,0|2,0,0]=4 1605 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 1626a_100102657272_200102591336 [0,2,0,0,0,0|2,0,0]=4 1606 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 240690a_100102657272_200102591336 [0,2,0,0,0,0|2,0,0]=4 1607 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 11a_106832991635_100000238256 [0,2,0,0,0,0|2,0,0]=4 1608 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 1626a_100102657272_100000238256 [0,2,0,0,0,0|2,0,0]=4 1609 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 11a_106832991635_100016280397 [0,2,0,0,0,0|2,0,0]=4 1610 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 1626a_100102657272_100016280397 [0,2,0,0,0,0|2,0,0]=4 1611 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 11a_106832991635_100102525105 [0,2,0,0,0,0|2,0,0]=4 1612 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100102657272_100102525105 [0,2,0,0,0,0|2,0,0]=4 1613 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100102657272_100102525105 [0,2,0,0,0,0|2,0,0]=4 1614 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_106832991635_100016270030 [0,2,0,0,0,0|2,0,0]=4 1615 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100102657272_100016270030 [0,2,0,0,0,0|2,0,0]=4 1616 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100102657272_100016270030 [0,2,0,0,0,0|2,0,0]=4 1617 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 11a_106832991635_200102525072 [0,2,0,0,0,0|2,0,0]=4 1618 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100102657272_200102525072 [0,2,0,0,0,0|2,0,0]=4 1619 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100102657272_200102525072 [0,2,0,0,0,0|2,0,0]=4 1620 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 11a_106832991635_100011214948 [0,2,0,0,0,0|2,0,0]=4 1621 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 1626a_100102657272_100011214948 [0,2,0,0,0,0|2,0,0]=4 1622 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 240690a_100102657272_100011214948 [0,2,0,0,0,0|2,0,0]=4 1623 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 11a_106832991635_100102561868 [0,2,0,0,0,0|2,0,0]=4 1624 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100102657272_100102561868 [0,2,0,0,0,0|2,0,0]=4 1625 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100102657272_100102561868 [0,2,0,0,0,0|2,0,0]=4 1626 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 11a_106832991635_100011195072 [0,2,0,0,0,0|2,0,0]=4 1627 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 1626a_100102657272_100011195072 [0,2,0,0,0,0|2,0,0]=4 1628 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 240690a_100102657272_100011195072 [0,2,0,0,0,0|2,0,0]=4 1629 B14R1.727 COC(=O)/C=C/c1ccc(cc1F)O 271570a_203496583355_100102763825 [0,2,0,0,0,0|1,0,0]=3 1630 B14R1.727 COC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000747449 [0,2,0,0,0,0|1,0,1]=4 1631 B14R1.727 COC(=O)CNc1ccc(cc1O)C 34a_100000211527_100000747449 [0,2,0,0,0,0|1,0,1]=4 1632 B14R1.727 COC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000747449 [0,2,0,0,0,0|1,0,1]=4 1633 B14R1.727 COC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000747449 [0,2,0,0,0,0|1,0,1]=4 1634 B14R1.727 COC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000747449 [0,2,0,0,0,0|1,0,1]=4 1635 B14R1.727 COC(=O)COc1ccc(cc1O)F 271570a_203496583355_200000151491 [0,2,0,0,0,0|1,0,1]=4 1636 B14R1.727 COC(=O)CSc1ccc(cc1O)Br 62a_100000747449_100012344904 [0,2,0,0,0,0|1,0,1]=4 1637 B14R1.727 COC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747449 [0,2,0,0,0,0|1,0,1]=4 1638 B14R1.727 COC(=O)CSc1ccc(cc1O)C 62a_100000747449_100012002257 [0,2,0,0,0,0|1,0,1]=4 1639 B14R1.727 COC(=O)CSc1ccc(cc1O)C 62a_100012002257_100000747449 [0,2,0,0,0,0|1,0,1]=4 1640 B14R1.727 COC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747449 [0,2,0,0,0,0|1,0,1]=4 1641 B14R1.727 COC(=O)CSc1ccc(cc1O)Cl 62a_100000747449_100000050036 [0,2,0,0,0,0|1,0,1]=4 1642 B14R1.727 COC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747449 [0,2,0,0,0,0|1,0,1]=4 1643 B14R1.727 COC(=O)CSc1ccc(cc1O)F 62a_100000747449_100000690578 [0,2,0,0,0,0|1,0,1]=4 1644 B14R1.727 COC(=O)CSc1ccc(cc1O)O 62a_100000747449_100009813921 [0,2,0,0,0,0|1,0,1]=4 1645 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CBr 6a_100011217368_100009888967 [0,2,0,0,0,0|2,0,0]=4 1646 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CCl 6a_100011217368_100000086384 [0,2,0,0,0,0|2,0,0]=4 1647 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CF 6a_100011217368_100000764096 [0,2,0,0,0,0|2,0,0]=4 1648 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CBr 6a_100010150104_100009888967 [0,2,0,0,0,0|2,0,0]=4 1649 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CCl 6a_100010150104_100000086384 [0,2,0,0,0,0|2,0,0]=4 1650 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CF 6a_100010150104_100000764096 [0,2,0,0,0,0|2,0,0]=4 1651 B14R1.727 O=C(C=Cc1ccc(cc1Br)F)CF 1458a_200102591336_100015361967 [0,2,0,0,0,0|2,0,0]=4 1652 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CBr 6a_100010185650_100009888967 [0,2,0,0,0,0|2,0,0]=4 1653 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CCl 6a_100010185650_100000086384 [0,2,0,0,0,0|2,0,0]=4 1654 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CF 6a_100010185650_100000764096 [0,2,0,0,0,0|2,0,0]=4 1655 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Br)CF 1458a_100102525105_100015361967 [0,2,0,0,0,0|2,0,0]=4 1656 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Cl)CF 1458a_100016270030_100015361967 [0,2,0,0,0,0|2,0,0]=4 1657 B14R1.727 O=C(C=Cc1ccc(cc1Cl)F)CF 1458a_200102525072_100015361967 [0,2,0,0,0,0|2,0,0]=4 1658 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CBr 6a_100000727542_100009888967 [0,2,0,0,0,0|2,0,0]=4 1659 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CCl 6a_100000727542_100000086384 [0,2,0,0,0,0|2,0,0]=4 1660 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CF 6a_100000727542_100000764096 [0,2,0,0,0,0|2,0,0]=4 1661 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CBr 6a_100000211676_100009888967 [0,2,0,0,0,0|2,0,0]=4 1662 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CCl 6a_100000211676_100000086384 [0,2,0,0,0,0|2,0,0]=4 1663 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 1458a_100011214948_100015361967 [0,2,0,0,0,0|2,0,0]=4 1664 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 6a_100000211676_100000764096 [0,2,0,0,0,0|2,0,0]=4 1665 B14R1.727 O=C(C=Cc1ccc(cc1F)Cl)CF 1458a_100102561868_100015361967 [0,2,0,0,0,0|2,0,0]=4 1666 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CBr 6a_100000211964_100009888967 [0,2,0,0,0,0|2,0,0]=4 1667 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CCl 6a_100000211964_100000086384 [0,2,0,0,0,0|2,0,0]=4 1668 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 1458a_100011195072_100015361967 [0,2,0,0,0,0|2,0,0]=4 1669 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 6a_100000211964_100000764096 [0,2,0,0,0,0|2,0,0]=4 1670 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CBr 6a_100000050965_100009888967 [0,2,0,0,0,0|2,0,0]=4 1671 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CCl 6a_100000050965_100000086384 [0,2,0,0,0,0|2,0,0]=4 1672 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CF 6a_100000050965_100000764096 [0,2,0,0,0,0|2,0,0]=4 1673 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CBr 6a_100010146562_100009888967 [0,2,0,0,0,0|2,0,0]=4 1674 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CCl 6a_100010146562_100000086384 [0,2,0,0,0,0|2,0,0]=4 1675 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CF 6a_100010146562_100000764096 [0,2,0,0,0,0|2,0,0]=4 1676 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CBr 6a_100010254405_100009888967 [0,2,0,0,0,0|2,0,0]=4 1677 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CCl 6a_100010254405_100000086384 [0,2,0,0,0,0|2,0,0]=4 1678 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CF 6a_100010254405_100000764096 [0,2,0,0,0,0|2,0,0]=4 1679 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CBr 6a_100000051608_100009888967 [0,2,0,0,0,0|2,0,0]=4 1680 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CCl 6a_100000051608_100000086384 [0,2,0,0,0,0|2,0,0]=4 1681 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CF 6a_100000051608_100000764096 [0,2,0,0,0,0|2,0,0]=4 1682 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CBr 6a_100000050530_100009888967 [0,2,0,0,0,0|1,0,0]=3 1683 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CCl 6a_100000050530_100000086384 [0,2,0,0,0,0|1,0,0]=3 1684 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CF 6a_100000050530_100000764096 [0,2,0,0,0,0|1,0,0]=3 1685 B14R1.3152 CC(=O)C=Cc1c(cc(cc1C)C)C 1458a_100011191989_200000210301 [0,2,0,0,0,0|2,0,0]=4 1686 B14R1.3152 CC(=O)C=Cc1c(cc(cc1Cl)O)Cl 1458a_200050542424_200000210301 [0,2,0,0,0,0|2,0,0]=4 1687 B14R1.3152 CC(O)C=Cc1c(cc(cc1F)F)O 271570a_200011019289_100009815984 [0,2,0,0,0,0|1,0,1]=4 1688 B14R1.3152 CC(O)C=Cc1c(cc(cc1O)O)O 271570a_200011019289_200010341185 [0,2,0,0,0,0|1,0,1]=4 1689 B14R1.3152 Cc1cc(c(c(c1)C)C=CC(=O)[13CH3])C 1458a_100011191989_200025704644 [0,2,0,0,0,0|2,0,0]=4 1690 B14R1.3152 Cc1cc(c(c(c1)O)C=CC(C)O)C 271570a_200011019289_100010342985 [0,2,0,0,0,0|1,0,1]=4 1691 B14R1.3152 Cc1cc(cc(c1C=CC(C)O)O)Cl 271570a_200011019289_100010254216 [0,2,0,0,0,0|1,0,1]=4 1692 B14R1.3152 [13CH3]C(=O)C=Cc1c(cc(cc1Cl)O)Cl 1458a_200050542424_200025704644 [0,2,0,0,0,0|2,0,0]=4 1693 B14R1.6036 CC(=O)C=Cc1cc(c(cc1C)C)C 1458a_100000739386_200000210301 [0,2,0,0,0,0|2,0,0]=4 1694 B14R1.6036 CC(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200000210301 [0,2,0,0,0,0|2,0,0]=4 1695 B14R1.6036 CC(O)C=Cc1cc(c(cc1O)F)F 271570a_200011019289_100009813768 [0,2,0,0,0,0|1,0,1]=4 1696 B14R1.6036 Cc1cc(c(cc1C)C=CC(=O)[13CH3])C 1458a_100000739386_200025704644 [0,2,0,0,0,0|2,0,0]=4 1697 B14R1.6036 Cc1cc(c(cc1C)C=CC(C)O)O 271570a_200011019289_100009814663 [0,2,0,0,0,0|1,0,1]=4 1698 B14R1.6036 [13CH3]C(=O)C=Cc1cc(c(cc1F)F)F 1458a_100102526214_200025704644 [0,2,0,0,0,0|2,0,0]=4 1699 B14R1.6048 CC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000070787_100009817053 [0,2,0,0,0,0|1,0,1]=4 1700 B14R1.6048 CC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000070787_100009814262 [0,2,0,0,0,0|1,0,1]=4 1701 B14R1.6048 Cc1ccc(c(c1)O)C(=O)CC(=O)N 1458a_100000212137_100000187820 [0,2,0,0,0,0|1,0,1]=4 1702 B14R1.6048 Cc1ccc(c(c1)O)C(=O)CC(=O)[O-] 1458a_100000212137_100020667443 [0,2,0,0,0,0|0,0,2]=4 1703 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000187820 [0,2,0,0,0,0|1,0,1]=4 1704 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000187820 [0,2,0,0,0,0|1,0,1]=4 1705 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100000187820 [0,2,0,0,0,0|1,0,1]=4 1706 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100000187820 [0,2,0,0,0,0|1,0,1]=4 1707 B14R1.6048 NC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000187820 [0,2,0,0,0,0|1,0,1]=4 1708 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100020667443 [0,2,0,0,0,0|0,0,2]=4 1709 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100020667443 [0,2,0,0,0,0|0,0,2]=4 1710 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)F 1458a_100000746061_100020667443 [0,2,0,0,0,0|0,0,2]=4 1711 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)I 1458a_100000091984_100020667443 [0,2,0,0,0,0|0,0,2]=4 1712 B14R1.6048 O=C([O-])CC(=O)c1ccc(cc1O)O 1458a_100000212172_100020667443 [0,2,0,0,0,0|0,0,2]=4 1713 B14R1.6049 Cc1ccc(c(c1)O)NC(=O)C(=O)N 22a_100000211527_100011215815 [0,2,0,0,0,0|2,0,0]=4 1714 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Br 22a_100000739049_100011215815 [0,2,0,0,0,0|2,0,0]=4 1715 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100011215815 [0,2,0,0,0,0|2,0,0]=4 1716 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)F 22a_100000753323_100011215815 [0,2,0,0,0,0|2,0,0]=4 1717 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)I 22a_100000057187_100011215815 [0,2,0,0,0,0|2,0,0]=4 1718 B14R1.6049 NC(=O)C(=O)Nc1ccc(cc1O)O 22a_100000106777_100011215815 [0,2,0,0,0,0|2,0,0]=4 1719 B14R1.243 CC(=O)C(C)C(=O)c1ccccc1O 1458a_100015234032_100000179758 [0,2,0,0,0,0|1,0,1]=4 1720 B14R1.243 CC(C(=O)N)C(=O)c1ccccc1O 1458a_100015234032_100000702099 [0,2,0,0,0,0|1,0,1]=4 1721 B14R1.243 CN(C(=O)C(=O)N)c1ccccc1O 22a_100000033821_100011215815 [0,2,0,0,0,0|2,0,0]=4 1722 B14R1.243 NC(=O)C(F)C(=O)c1ccccc1O 1458a_100015234032_100009813875 [0,2,0,0,0,0|1,0,1]=4 1723 B14R1.243 O=C([O-])C(F)C(=O)c1ccccc1O 1458a_100015234032_100020610796 [0,2,0,0,0,0|0,0,2]=4 1724 B14R1.587 C#CC(=O)CC(=O)c1ccccc1O 1458a_100000211873_100000188908 [0,2,0,0,0,0|1,0,1]=4 1725 B14R1.587 C=CC(=O)CC(=O)c1ccccc1O 1458a_100000185746_100000188908 [0,2,0,0,0,0|1,0,1]=4 1726 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100000210414_100000188908 [0,2,0,0,0,0|1,0,1]=4 1727 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747405 [0,2,0,0,0,0|1,0,1]=4 1728 B14R1.587 CNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183359 [0,2,0,0,0,0|1,0,1]=4 1729 B14R1.587 COC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747449 [0,2,0,0,0,0|1,0,1]=4 1730 B14R1.587 COC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747449 [0,2,0,0,0,0|1,0,1]=4 1731 B14R1.587 COC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747449 [0,2,0,0,0,0|1,0,1]=4 1732 B14R1.587 COC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747449 [0,2,0,0,0,0|1,0,1]=4 1733 B14R1.587 COC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747449 [0,2,0,0,0,0|1,0,1]=4 1734 B14R1.587 COC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747449 [0,2,0,0,0,0|0,0,1]=3 1735 B14R1.587 COC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747449 [0,2,0,0,0,0|0,0,2]=4 1736 B14R1.587 COC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000747449 [0,2,0,0,0,0|1,0,1]=4 1737 B14R1.587 C[C@@H](NC(=O)CO)c1ccccc1O 240690a_100025703389_100000210174 [0,2,0,0,0,0|1,0,1]=4 1738 B14R1.587 C[C@@H](NC(=O)CO)c1ccccc1O 527a_100025703389_100000210174 [0,2,0,0,0,0|1,0,1]=4 1739 B14R1.587 Cc1ccccc1C(=O)CC(=O)CO 1458a_100000210174_100000741374 [0,2,0,0,0,0|1,0,1]=4 1740 B14R1.587 O=C(CO)CC(=O)c1ccccc1Br 1458a_100000210174_100000199116 [0,2,0,0,0,0|1,0,1]=4 1741 B14R1.587 O=C(CO)CC(=O)c1ccccc1Cl 1458a_100000210174_100000211432 [0,2,0,0,0,0|1,0,1]=4 1742 B14R1.587 O=C(CO)CC(=O)c1ccccc1F 1458a_100000210174_100000204681 [0,2,0,0,0,0|1,0,1]=4 1743 B14R1.587 O=C(CO)CC(=O)c1ccccc1O 1458a_100000210174_100000188908 [0,2,0,0,0,0|0,0,1]=3 1744 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)N)O 1458a_100011934116_100000187820 [0,2,0,0,0,0|1,0,1]=4 1745 B14R1.5958 Cc1cccc(c1C(=O)CC(=O)[O-])O 1458a_100011934116_100020667443 [0,2,0,0,0,0|0,0,2]=4 1746 B14R1.5958 NC(=O)CC(=O)c1c(cccc1Br)O 1458a_100011935254_100000187820 [0,2,0,0,0,0|1,0,1]=4 1747 B14R1.5958 NC(=O)CC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000187820 [0,2,0,0,0,0|1,0,1]=4 1748 B14R1.5958 NC(=O)CC(=O)c1c(cccc1F)O 1458a_100000763259_100000187820 [0,2,0,0,0,0|1,0,1]=4 1749 B14R1.5958 NC(=O)CC(=O)c1c(cccc1O)O 1458a_100000755285_100000187820 [0,2,0,0,0,0|1,0,1]=4 1750 B14R1.5958 O=C([O-])CC(=O)c1c(cccc1Br)O 1458a_100011935254_100020667443 [0,2,0,0,0,0|0,0,2]=4 1751 B14R1.5958 O=C([O-])CC(=O)c1c(cccc1Cl)O 1458a_100000745519_100020667443 [0,2,0,0,0,0|0,0,2]=4 1752 B14R1.5958 O=C([O-])CC(=O)c1c(cccc1F)O 1458a_100000763259_100020667443 [0,2,0,0,0,0|0,0,2]=4 1753 B14R1.5958 O=C([O-])CC(=O)c1c(cccc1O)O 1458a_100000755285_100020667443 [0,2,0,0,0,0|0,0,2]=4 1754 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000070787_200009828000 [0,2,0,0,0,0|1,0,1]=4 1755 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000070787_200009816716 [0,2,0,0,0,0|1,0,1]=4 1756 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000070787_100000047744 [0,2,0,0,0,0|1,0,1]=4 1757 B14R1.6052 CC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000070787_100009814097 [0,2,0,0,0,0|1,0,1]=4 1758 B14R1.6052 Cc1ccc(c(c1)C(=O)CC(=O)N)O 1458a_100000229998_100000187820 [0,2,0,0,0,0|1,0,1]=4 1759 B14R1.6052 Cc1ccc(c(c1)C(=O)CC(=O)[O-])O 1458a_100000229998_100020667443 [0,2,0,0,0,0|0,0,2]=4 1760 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000187820 [0,2,0,0,0,0|1,0,1]=4 1761 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000187820 [0,2,0,0,0,0|1,0,1]=4 1762 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000742286_100000187820 [0,2,0,0,0,0|1,0,1]=4 1763 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)I 1458a_100000212111_100000187820 [0,2,0,0,0,0|1,0,1]=4 1764 B14R1.6052 NC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000187820 [0,2,0,0,0,0|1,0,1]=4 1765 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100020667443 [0,2,0,0,0,0|0,0,2]=4 1766 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100020667443 [0,2,0,0,0,0|0,0,2]=4 1767 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)F 1458a_100000742286_100020667443 [0,2,0,0,0,0|0,0,2]=4 1768 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)I 1458a_100000212111_100020667443 [0,2,0,0,0,0|0,0,2]=4 1769 B14R1.6052 O=C([O-])CC(=O)c1cc(ccc1O)O 1458a_100000758025_100020667443 [0,2,0,0,0,0|0,0,2]=4 1770 B14R1.1007 C=C(CO)C(=O)Nc1ccccc1O 22a_100000185747_200000705526 [0,2,0,0,0,0|2,0,0]=4 1771 B14R1.1007 CC(=Cc1ccccc1Cl)C(=O)CF 1458a_100000693296_100015361967 [0,2,0,0,0,0|2,0,0]=4 1772 B14R1.1007 CCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000210202 [0,2,0,0,0,0|2,0,0]=4 1773 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO 240690a_100015189988_100000210174 [0,2,0,0,0,0|1,0,1]=4 1774 B14R1.1007 CN(Cc1ccccc1O)C(=O)CO 527a_100015189988_100000210174 [0,2,0,0,0,0|1,0,1]=4 1775 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 11a_106832991635_100000693296 [0,2,0,0,0,0|2,0,0]=4 1776 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 1626a_100102657272_100000693296 [0,2,0,0,0,0|2,0,0]=4 1777 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 240690a_100102657272_100000693296 [0,2,0,0,0,0|2,0,0]=4 1778 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 527a_100102657272_100000693296 [0,2,0,0,0,0|2,0,0]=4 1779 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011218921 [0,2,0,0,0,0|2,0,0]=4 1780 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1O 527a_100000185747_100011218921 [0,2,0,0,0,0|2,0,0]=4 1781 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Br 11a_100000210017_100000024059 [0,2,0,0,0,0|2,0,0]=4 1782 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_100000024059 [0,2,0,0,0,0|2,0,0]=4 1783 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 11a_100015192222_100000024059 [0,2,0,0,0,0|2,0,0]=4 1784 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_100000024059 [0,2,0,0,0,0|2,0,0]=4 1785 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 527a_100015192222_100000024059 [0,2,0,0,0,0|2,0,0]=4 1786 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 11a_100000185783_100000024059 [0,2,0,0,0,0|2,0,0]=4 1787 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000024059 [0,2,0,0,0,0|2,0,0]=4 1788 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_100000024059 [0,2,0,0,0,0|2,0,0]=4 1789 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 11a_100000210422_100000024059 [0,2,0,0,0,0|2,0,0]=4 1790 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_100000024059 [0,2,0,0,0,0|2,0,0]=4 1791 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 527a_100000210422_100000024059 [0,2,0,0,0,0|2,0,0]=4 1792 B14R1.1007 COC(=O)C(=O)Nc1ccccc1I 11a_100000210053_100000024059 [0,2,0,0,0,0|2,0,0]=4 1793 B14R1.1007 COC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_100000024059 [0,2,0,0,0,0|2,0,0]=4 1794 B14R1.1007 COC(=O)C(=O)Nc1ccccc1O 527a_100000185747_100000024059 [0,2,0,0,0,0|1,0,0]=3 1795 B14R1.1007 COC(=O)C(C)Nc1ccccc1O 34a_100000185747_100000211248 [0,2,0,0,0,0|1,0,1]=4 1796 B14R1.1007 COC(=O)C(C)Sc1ccccc1O 62a_100000211248_100000739446 [0,2,0,0,0,0|1,0,1]=4 1797 B14R1.1007 COC(=O)C(C)Sc1ccccc1O 62a_100000739446_100000211248 [0,2,0,0,0,0|1,0,1]=4 1798 B14R1.4474 Cc1ccc(c(c1)NC(=O)C(=O)N)O 22a_100011215204_100011215815 [0,2,0,0,0,0|2,0,0]=4 1799 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)Br 22a_100000752626_100011215815 [0,2,0,0,0,0|2,0,0]=4 1800 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100011215815 [0,2,0,0,0,0|2,0,0]=4 1801 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)F 22a_100000759472_100011215815 [0,2,0,0,0,0|2,0,0]=4 1802 B14R1.4474 NC(=O)C(=O)Nc1cc(ccc1O)I 22a_100000753495_100011215815 [0,2,0,0,0,0|2,0,0]=4 1803 B14R1.5971 Cc1cccc(c1NC(=O)C(=O)N)O 22a_100000743429_100011215815 [0,2,0,0,0,0|2,0,0]=4 1804 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1Cl)O 22a_100012022510_100011215815 [0,2,0,0,0,0|2,0,0]=4 1805 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1F)O 22a_100020591140_100011215815 [0,2,0,0,0,0|2,0,0]=4 1806 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1I)O 22a_200000049512_100011215815 [0,2,0,0,0,0|2,0,0]=4 1807 B14R1.5971 NC(=O)C(=O)Nc1c(cccc1O)O 22a_100011995820_100011215815 [0,2,0,0,0,0|2,0,0]=4 1808 B14R1.598 C#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000184674 [0,2,0,0,0,0|2,0,0]=4 1809 B14R1.598 C#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000184674 [0,2,0,0,0,0|2,0,0]=4 1810 B14R1.598 C#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000184674 [0,2,0,0,0,0|2,0,0]=4 1811 B14R1.598 C#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000184674 [0,2,0,0,0,0|1,0,0]=3 1812 B14R1.598 C=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210623 [0,2,0,0,0,0|2,0,0]=4 1813 B14R1.598 C=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210623 [0,2,0,0,0,0|2,0,0]=4 1814 B14R1.598 C=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210623 [0,2,0,0,0,0|2,0,0]=4 1815 B14R1.598 C=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210623 [0,2,0,0,0,0|1,0,0]=3 1816 B14R1.598 C=COC(=O)CNc1ccccc1O 34a_100000185747_100000036128 [0,2,0,0,0,0|1,0,1]=4 1817 B14R1.598 C=COC(=O)CSc1ccccc1O 62a_100000036128_100000739446 [0,2,0,0,0,0|1,0,1]=4 1818 B14R1.598 C=COC(=O)CSc1ccccc1O 62a_100000739446_100000036128 [0,2,0,0,0,0|1,0,1]=4 1819 B14R1.598 CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210303 [0,2,0,0,0,0|2,0,0]=4 1820 B14R1.598 CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210303 [0,2,0,0,0,0|2,0,0]=4 1821 B14R1.598 CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210303 [0,2,0,0,0,0|2,0,0]=4 1822 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [0,2,0,0,0,0|1,0,0]=3 1823 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 11a_100015525214_100000719032 [0,2,0,0,0,0|2,0,0]=4 1824 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 240690a_100015525214_100000719032 [0,2,0,0,0,0|2,0,0]=4 1825 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 11a_100015525214_100000720304 [0,2,0,0,0,0|2,0,0]=4 1826 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 240690a_100015525214_100000720304 [0,2,0,0,0,0|2,0,0]=4 1827 B14R1.598 CCNC(=O)C=Cc1ccccc1F 11a_100015525214_100016256065 [0,2,0,0,0,0|2,0,0]=4 1828 B14R1.598 CCNC(=O)C=Cc1ccccc1F 240690a_100015525214_100016256065 [0,2,0,0,0,0|2,0,0]=4 1829 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [0,2,0,0,0,0|0,0,0]=2 1830 B14R1.598 CCOC(=O)/C=C/c1cccnc1O 271570a_203496583355_200020681690 [0,2,0,0,0,0|1,0,0]=3 1831 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=O 271570a_100010199719_100009998708 [0,2,0,0,0,0|1,0,1]=4 1832 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=S 271570a_100010199719_200012280681 [0,2,0,0,0,0|1,1,0]=4 1833 B14R1.598 CCOC(=O)C=Cc1ccc[nH]c1=O 271570a_100010199719_100000050042 [0,2,0,0,0,0|1,0,1]=4 1834 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1C 271570a_100010199719_100000212160 [0,2,0,0,0,0|2,0,0]=4 1835 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1[O-] 271570a_100010199719_200000042595 [0,2,0,0,0,0|1,0,1]=4 1836 B14R1.598 CCOC(=O)C=Cc1ccccc1Br 271570a_100010199719_100000695589 [0,2,0,0,0,0|1,0,0]=3 1837 B14R1.598 CCOC(=O)C=Cc1ccccc1C 271570a_100010199719_100000210755 [0,2,0,0,0,0|1,0,0]=3 1838 B14R1.598 CCOC(=O)C=Cc1ccccc1Cl 271570a_100010199719_100000764095 [0,2,0,0,0,0|1,0,0]=3 1839 B14R1.598 CCOC(=O)C=Cc1ccccc1F 271570a_100010199719_100011215700 [0,2,0,0,0,0|1,0,0]=3 1840 B14R1.598 CCOC(=O)C=Cc1ccccc1N 271570a_100010199719_100000210017 [0,2,0,0,0,0|1,0,0]=3 1841 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [0,2,0,0,0,0|0,0,0]=2 1842 B14R1.598 CCOC(=O)C=Cc1cccnc1Br 271570a_100010199719_100010202626 [0,2,0,0,0,0|2,0,0]=4 1843 B14R1.598 CCOC(=O)C=Cc1cccnc1C 271570a_100010199719_100000751574 [0,2,0,0,0,0|2,0,0]=4 1844 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl 271570a_100010199719_100000036424 [0,2,0,0,0,0|2,0,0]=4 1845 B14R1.598 CCOC(=O)C=Cc1cccnc1F 271570a_100010199719_100009816115 [0,2,0,0,0,0|2,0,0]=4 1846 B14R1.598 CCOC(=O)C=Cc1cccnc1N 271570a_100010199719_100000045569 [0,2,0,0,0,0|2,0,0]=4 1847 B14R1.598 CCOC(=O)C=Cc1ccncc1Br 271570a_100010199719_100000726257 [0,2,0,0,0,0|2,0,0]=4 1848 B14R1.598 CCOC(=O)C=Cc1ccncc1C 271570a_100010199719_100015191297 [0,2,0,0,0,0|2,0,0]=4 1849 B14R1.598 CCOC(=O)C=Cc1ccncc1Cl 271570a_100010199719_100000708259 [0,2,0,0,0,0|2,0,0]=4 1850 B14R1.598 CCOC(=O)C=Cc1ccncc1F 271570a_100010199719_100000047030 [0,2,0,0,0,0|2,0,0]=4 1851 B14R1.598 CCOC(=O)C=Cc1ccncc1N 271570a_100010199719_100009815883 [0,2,0,0,0,0|2,0,0]=4 1852 B14R1.598 CCOC(=O)C=Cc1ccncc1O 271570a_100010199719_100009817591 [0,2,0,0,0,0|1,0,0]=3 1853 B14R1.598 CCOC(=O)C=Cc1cnccc1Br 271570a_100010199719_100010138639 [0,2,0,0,0,0|2,0,0]=4 1854 B14R1.598 CCOC(=O)C=Cc1cnccc1C 271570a_100010199719_100000761580 [0,2,0,0,0,0|2,0,0]=4 1855 B14R1.598 CCOC(=O)C=Cc1cnccc1Cl 271570a_100010199719_100009995489 [0,2,0,0,0,0|2,0,0]=4 1856 B14R1.598 CCOC(=O)C=Cc1cnccc1F 271570a_100010199719_100009820683 [0,2,0,0,0,0|2,0,0]=4 1857 B14R1.598 CCOC(=O)C=Cc1cnccc1N 271570a_100010199719_100000047001 [0,2,0,0,0,0|2,0,0]=4 1858 B14R1.598 CCOC(=O)C=Cc1cncnc1O 271570a_100010199719_100000751107 [0,2,0,0,0,0|2,0,0]=4 1859 B14R1.598 CCOC(=O)C=Cc1ncccc1Br 271570a_100010199719_100000696092 [0,2,0,0,0,0|2,0,0]=4 1860 B14R1.598 CCOC(=O)C=Cc1ncccc1C 271570a_100010199719_100000751373 [0,2,0,0,0,0|2,0,0]=4 1861 B14R1.598 CCOC(=O)C=Cc1ncccc1Cl 271570a_100010199719_100011356963 [0,2,0,0,0,0|2,0,0]=4 1862 B14R1.598 CCOC(=O)C=Cc1ncccc1F 271570a_100010199719_100000685392 [0,2,0,0,0,0|2,0,0]=4 1863 B14R1.598 CCOC(=O)C=Cc1ncccc1N 271570a_100010199719_100000688686 [0,2,0,0,0,0|2,0,0]=4 1864 B14R1.598 CCOC(=O)C=Cc1ncccc1O 271570a_100010199719_100000034122 [0,2,0,0,0,0|1,0,0]=3 1865 B14R1.598 CCOC(=O)CCc1ccccc1O 271570a_203496583355_100009815309 [0,2,0,0,0,0|0,0,2]=4 1866 B14R1.598 CCOC(=O)CNc1ccccc1O 34a_100000185747_100000188475 [0,2,0,0,0,0|1,0,1]=4 1867 B14R1.598 CCOC(=O)COc1ccccc1O 271570a_203496583355_100000174061 [0,2,0,0,0,0|1,0,1]=4 1868 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000188475_100000739446 [0,2,0,0,0,0|1,0,1]=4 1869 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000739446_100000188475 [0,2,0,0,0,0|1,0,1]=4 1870 B14R1.598 CNNC(=O)C=Cc1ccccc1Br 22a_100016993582_100000719032 [0,2,0,0,0,0|2,0,0]=4 1871 B14R1.598 CNNC(=O)C=Cc1ccccc1C 22a_100016993582_100016266485 [0,2,0,0,0,0|2,0,0]=4 1872 B14R1.598 CNNC(=O)C=Cc1ccccc1Cl 22a_100016993582_100000720304 [0,2,0,0,0,0|2,0,0]=4 1873 B14R1.598 CNNC(=O)C=Cc1ccccc1F 22a_100016993582_100016256065 [0,2,0,0,0,0|2,0,0]=4 1874 B14R1.598 CNNC(=O)C=Cc1ccccc1O 22a_100016993582_100016263591 [0,2,0,0,0,0|1,0,0]=3 1875 B14R1.598 COCC(=O)CCc1ccccc1O 1458a_100000210968_100000722297 [0,2,0,0,0,0|0,0,2]=4 1876 B14R1.598 COCC(=O)NCc1ccccc1O 240690a_100000185550_100000210968 [0,2,0,0,0,0|1,0,1]=4 1877 B14R1.598 COCC(=O)NCc1ccccc1O 527a_100000185550_100000210968 [0,2,0,0,0,0|1,0,1]=4 1878 B14R1.598 N#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214920 [0,2,0,0,0,0|2,0,0]=4 1879 B14R1.598 N#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214920 [0,2,0,0,0,0|2,0,0]=4 1880 B14R1.598 N#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214920 [0,2,0,0,0,0|2,0,0]=4 1881 B14R1.598 N#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214920 [0,2,0,0,0,0|1,0,0]=3 1882 B14R1.598 O=C(C=Cc1ccccc1Br)CCF 1458a_100000719032_100011217306 [0,2,0,0,0,0|2,0,0]=4 1883 B14R1.598 O=C(C=Cc1ccccc1Br)CCO 1458a_100000719032_100000211926 [0,2,0,0,0,0|1,0,0]=3 1884 B14R1.598 O=C(C=Cc1ccccc1Cl)CCF 1458a_100000720304_100011217306 [0,2,0,0,0,0|2,0,0]=4 1885 B14R1.598 O=C(C=Cc1ccccc1Cl)CCO 1458a_100000720304_100000211926 [0,2,0,0,0,0|1,0,0]=3 1886 B14R1.598 O=C(C=Cc1ccccc1F)CCF 1458a_100016256065_100011217306 [0,2,0,0,0,0|2,0,0]=4 1887 B14R1.598 O=C(C=Cc1ccccc1F)CCO 1458a_100016256065_100000211926 [0,2,0,0,0,0|1,0,0]=3 1888 B14R1.598 O=C(C=Cc1ccccc1O)CCF 1458a_100016263591_100011217306 [0,2,0,0,0,0|1,0,0]=3 1889 B14R1.598 O=C(C=Cc1ccccc1O)CCO 1458a_100016263591_100000211926 [0,2,0,0,0,0|0,0,0]=2 1890 B14R1.598 O=C(CCO)CCc1ccccc1O 1458a_100000181328_100000211926 [0,2,0,0,0,0|0,0,2]=4 1891 B14R1.598 O=C(CCO)CCc1ccccc1O 1458a_100011216618_100000722297 [0,2,0,0,0,0|0,0,2]=4 1892 B14R1.598 O=C(CCO)COc1ccccc1O 1458a_100000183020_100000211926 [0,2,0,0,0,0|1,0,1]=4 1893 B14R1.598 O=C(CCO)CSc1ccccc1O 1458a_100000695322_100000211926 [0,2,0,0,0,0|1,0,1]=4 1894 B14R1.598 O=C(CCO)NCc1ccccc1O 240690a_100000185550_100011216618 [0,2,0,0,0,0|1,0,1]=4 1895 B14R1.598 O=C(CNc1ccccc1O)NCO 34a_100000185747_100000185155 [0,2,0,0,0,0|1,0,1]=4 1896 B14R1.598 O=C(CSc1ccccc1O)NCO 62a_100000185155_100000739446 [0,2,0,0,0,0|1,0,1]=4 1897 B14R1.598 O=C(CSc1ccccc1O)NCO 62a_100000739446_100000185155 [0,2,0,0,0,0|1,0,1]=4 1898 B14R1.820 CCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000210202 [0,2,0,0,0,0|2,0,0]=4 1899 B14R1.820 CCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100000211110 [0,2,0,0,0,0|2,0,0]=4 1900 B14R1.820 CCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000210202 [0,2,0,0,0,0|2,0,0]=4 1901 B14R1.820 CCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100000211110 [0,2,0,0,0,0|2,0,0]=4 1902 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000210202 [0,2,0,0,0,0|2,0,0]=4 1903 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100000211110 [0,2,0,0,0,0|2,0,0]=4 1904 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000210202 [0,2,0,0,0,0|2,0,0]=4 1905 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100000211110 [0,2,0,0,0,0|2,0,0]=4 1906 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100000211110 [0,2,0,0,0,0|2,0,0]=4 1907 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000210202 [0,2,0,0,0,0|2,0,0]=4 1908 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100000211110 [0,2,0,0,0,0|2,0,0]=4 1909 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100000211110 [0,2,0,0,0,0|2,0,0]=4 1910 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100000211110 [0,2,0,0,0,0|2,0,0]=4 1911 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100000211110 [0,2,0,0,0,0|2,0,0]=4 1912 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100000211110 [0,2,0,0,0,0|2,0,0]=4 1913 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100000211110 [0,2,0,0,0,0|2,0,0]=4 1914 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100000211110 [0,2,0,0,0,0|2,0,0]=4 1915 B14R1.820 CCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000211110 [0,2,0,0,0,0|1,0,0]=3 1916 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)F 11a_106832991635_100102525183 [0,2,0,0,0,0|2,0,0]=4 1917 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)F 1626a_100102657272_100102525183 [0,2,0,0,0,0|2,0,0]=4 1918 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)F 240690a_100102657272_100102525183 [0,2,0,0,0,0|2,0,0]=4 1919 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)O 240690a_100102657272_200159324452 [0,2,0,0,0,0|2,0,0]=4 1920 B14R1.820 CNC(=O)C=Cc1cc(ccc1C)C 1626a_100102657272_200016256798 [0,2,0,0,0,0|2,0,0]=4 1921 B14R1.820 CNC(=O)C=Cc1cc(ccc1C)F 11a_106832991635_100102526137 [0,2,0,0,0,0|2,0,0]=4 1922 B14R1.820 CNC(=O)C=Cc1cc(ccc1C)F 1626a_100102657272_100102526137 [0,2,0,0,0,0|2,0,0]=4 1923 B14R1.820 CNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_106832991635_100000234794 [0,2,0,0,0,0|2,0,0]=4 1924 B14R1.820 CNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000234794 [0,2,0,0,0,0|2,0,0]=4 1925 B14R1.820 CNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000234794 [0,2,0,0,0,0|2,0,0]=4 1926 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)Br 11a_106832991635_100000718207 [0,2,0,0,0,0|2,0,0]=4 1927 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)Br 1626a_100102657272_100000718207 [0,2,0,0,0,0|2,0,0]=4 1928 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)Br 240690a_100102657272_100000718207 [0,2,0,0,0,0|2,0,0]=4 1929 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)C 11a_106832991635_100102526132 [0,2,0,0,0,0|2,0,0]=4 1930 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)C 1626a_100102657272_100102526132 [0,2,0,0,0,0|2,0,0]=4 1931 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)C 240690a_100102657272_100102526132 [0,2,0,0,0,0|2,0,0]=4 1932 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)F 11a_106832991635_100000744626 [0,2,0,0,0,0|2,0,0]=4 1933 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)F 1626a_100102657272_100000744626 [0,2,0,0,0,0|2,0,0]=4 1934 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)F 240690a_100102657272_100000744626 [0,2,0,0,0,0|2,0,0]=4 1935 B14R1.820 COC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000747449 [0,2,0,0,0,0|1,0,1]=4 1936 B14R1.820 COC(=O)CNc1cc(ccc1O)C 34a_100011215204_100000747449 [0,2,0,0,0,0|1,0,1]=4 1937 B14R1.820 COC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000747449 [0,2,0,0,0,0|1,0,1]=4 1938 B14R1.820 COC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000747449 [0,2,0,0,0,0|1,0,1]=4 1939 B14R1.820 COC(=O)COc1cc(ccc1O)F 271570a_203496583355_200012936119 [0,2,0,0,0,0|1,0,1]=4 1940 B14R1.820 COC(=O)CSc1cc(ccc1O)Br 62a_100000747449_100012355227 [0,2,0,0,0,0|1,0,1]=4 1941 B14R1.820 COC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747449 [0,2,0,0,0,0|1,0,1]=4 1942 B14R1.820 COC(=O)CSc1cc(ccc1O)C 62a_100000747449_100000765521 [0,2,0,0,0,0|1,0,1]=4 1943 B14R1.820 COC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000747449 [0,2,0,0,0,0|1,0,1]=4 1944 B14R1.820 COC(=O)CSc1cc(ccc1O)Cl 62a_100000747449_100011356953 [0,2,0,0,0,0|1,0,1]=4 1945 B14R1.820 COC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747449 [0,2,0,0,0,0|1,0,1]=4 1946 B14R1.820 COC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747449 [0,2,0,0,0,0|1,0,1]=4 1947 B14R1.820 COC(=O)CSc1cc(ccc1O)F 62a_100000747449_100000211999 [0,2,0,0,0,0|1,0,1]=4 1948 B14R1.820 COC(=O)CSc1cc(ccc1O)N 62a_100000747449_100011534360 [0,2,0,0,0,0|1,0,1]=4 1949 B14R1.820 COC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747449 [0,2,0,0,0,0|1,0,1]=4 1950 B14R1.820 COC(=O)CSc1cc(ccc1O)O 62a_100000747449_100009813629 [0,2,0,0,0,0|1,0,1]=4 1951 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CBr)F 6a_100000756917_100009888967 [0,2,0,0,0,0|2,0,0]=4 1952 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CBr)I 6a_100010150105_100009888967 [0,2,0,0,0,0|2,0,0]=4 1953 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CCl)F 6a_100000756917_100000086384 [0,2,0,0,0,0|2,0,0]=4 1954 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CCl)I 6a_100010150105_100000086384 [0,2,0,0,0,0|2,0,0]=4 1955 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CF)F 1458a_100102526132_100015361967 [0,2,0,0,0,0|2,0,0]=4 1956 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CF)F 6a_100000756917_100000764096 [0,2,0,0,0,0|2,0,0]=4 1957 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CF)I 6a_100010150105_100000764096 [0,2,0,0,0,0|2,0,0]=4 1958 B14R1.820 O=C(C=Cc1cc(ccc1Br)F)CF 1458a_100102525183_100015361967 [0,2,0,0,0,0|2,0,0]=4 1959 B14R1.820 O=C(C=Cc1cc(ccc1Br)I)CBr 6a_100010185652_100009888967 [0,2,0,0,0,0|2,0,0]=4 1960 B14R1.820 O=C(C=Cc1cc(ccc1Br)I)CCl 6a_100010185652_100000086384 [0,2,0,0,0,0|2,0,0]=4 1961 B14R1.820 O=C(C=Cc1cc(ccc1Br)I)CF 6a_100010185652_100000764096 [0,2,0,0,0,0|2,0,0]=4 1962 B14R1.820 O=C(C=Cc1cc(ccc1Cl)Cl)CF 1458a_100000234794_100015361967 [0,2,0,0,0,0|2,0,0]=4 1963 B14R1.820 O=C(C=Cc1cc(ccc1Cl)I)CBr 6a_100010254384_100009888967 [0,2,0,0,0,0|2,0,0]=4 1964 B14R1.820 O=C(C=Cc1cc(ccc1Cl)I)CCl 6a_100010254384_100000086384 [0,2,0,0,0,0|2,0,0]=4 1965 B14R1.820 O=C(C=Cc1cc(ccc1Cl)I)CF 6a_100010254384_100000764096 [0,2,0,0,0,0|2,0,0]=4 1966 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CBr 6a_100000211465_100009888967 [0,2,0,0,0,0|2,0,0]=4 1967 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CCl 6a_100000211465_100000086384 [0,2,0,0,0,0|2,0,0]=4 1968 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CF 1458a_100000718207_100015361967 [0,2,0,0,0,0|2,0,0]=4 1969 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CF 6a_100000211465_100000764096 [0,2,0,0,0,0|2,0,0]=4 1970 B14R1.820 O=C(C=Cc1cc(ccc1F)Cl)CBr 6a_100000745245_100009888967 [0,2,0,0,0,0|2,0,0]=4 1971 B14R1.820 O=C(C=Cc1cc(ccc1F)Cl)CCl 6a_100000745245_100000086384 [0,2,0,0,0,0|2,0,0]=4 1972 B14R1.820 O=C(C=Cc1cc(ccc1F)Cl)CF 6a_100000745245_100000764096 [0,2,0,0,0,0|2,0,0]=4 1973 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CBr 6a_100000740046_100009888967 [0,2,0,0,0,0|2,0,0]=4 1974 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CCl 6a_100000740046_100000086384 [0,2,0,0,0,0|2,0,0]=4 1975 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CF 1458a_100000744626_100015361967 [0,2,0,0,0,0|2,0,0]=4 1976 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CF 6a_100000740046_100000764096 [0,2,0,0,0,0|2,0,0]=4 1977 B14R1.820 O=C(C=Cc1cc(ccc1F)I)CBr 6a_100000050626_100009888967 [0,2,0,0,0,0|2,0,0]=4 1978 B14R1.820 O=C(C=Cc1cc(ccc1F)I)CCl 6a_100000050626_100000086384 [0,2,0,0,0,0|2,0,0]=4 1979 B14R1.820 O=C(C=Cc1cc(ccc1F)I)CF 6a_100000050626_100000764096 [0,2,0,0,0,0|2,0,0]=4 1980 B14R1.820 O=C(C=Cc1cc(ccc1I)Br)CBr 6a_100010185651_100009888967 [0,2,0,0,0,0|2,0,0]=4 1981 B14R1.820 O=C(C=Cc1cc(ccc1I)Br)CCl 6a_100010185651_100000086384 [0,2,0,0,0,0|2,0,0]=4 1982 B14R1.820 O=C(C=Cc1cc(ccc1I)Br)CF 6a_100010185651_100000764096 [0,2,0,0,0,0|2,0,0]=4 1983 B14R1.820 O=C(C=Cc1cc(ccc1I)Cl)CBr 6a_100010254386_100009888967 [0,2,0,0,0,0|2,0,0]=4 1984 B14R1.820 O=C(C=Cc1cc(ccc1I)Cl)CCl 6a_100010254386_100000086384 [0,2,0,0,0,0|2,0,0]=4 1985 B14R1.820 O=C(C=Cc1cc(ccc1I)Cl)CF 6a_100010254386_100000764096 [0,2,0,0,0,0|2,0,0]=4 1986 B14R1.820 O=C(C=Cc1cc(ccc1I)F)CBr 6a_100010186294_100009888967 [0,2,0,0,0,0|2,0,0]=4 1987 B14R1.820 O=C(C=Cc1cc(ccc1I)F)CCl 6a_100010186294_100000086384 [0,2,0,0,0,0|2,0,0]=4 1988 B14R1.820 O=C(C=Cc1cc(ccc1I)F)CF 6a_100010186294_100000764096 [0,2,0,0,0,0|2,0,0]=4 1989 B14R1.820 O=C(C=Cc1cc(ccc1I)O)CBr 6a_100000069132_100009888967 [0,2,0,0,0,0|2,0,0]=4 1990 B14R1.820 O=C(C=Cc1cc(ccc1I)O)CCl 6a_100000069132_100000086384 [0,2,0,0,0,0|2,0,0]=4 1991 B14R1.820 O=C(C=Cc1cc(ccc1I)O)CF 6a_100000069132_100000764096 [0,2,0,0,0,0|2,0,0]=4 1992 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CBr 6a_100011215628_100009888967 [0,2,0,0,0,0|1,0,0]=3 1993 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CCl 6a_100011215628_100000086384 [0,2,0,0,0,0|1,0,0]=3 1994 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CF 6a_100011215628_100000764096 [0,2,0,0,0,0|1,0,0]=3 1995 B14R1.820 O=C(CO)NCc1cc(ccc1O)Br 240690a_100000730032_100000210174 [0,2,0,0,0,0|1,0,1]=4 1996 B14R1.820 O=C(CO)NCc1cc(ccc1O)Br 527a_100000730032_100000210174 [0,2,0,0,0,0|1,0,1]=4 1997 B14R1.820 O=C(CO)NCc1cc(ccc1O)Cl 240690a_100000238540_100000210174 [0,2,0,0,0,0|1,0,1]=4 1998 B14R1.820 O=C(CO)NCc1cc(ccc1O)Cl 527a_100000238540_100000210174 [0,2,0,0,0,0|1,0,1]=4 1999 B14R1.19598 CCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000210202 [0,2,0,0,0,0|2,0,0]=4 2000 B14R1.19598 CCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000210202 [0,2,0,0,0,0|2,0,0]=4 2001 B14R1.19598 CCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000210202 [0,2,0,0,0,0|2,0,0]=4 2002 B14R1.19598 CCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100000211110 [0,2,0,0,0,0|2,0,0]=4 2003 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)Cl 11a_106832991635_100000185082 [0,2,0,0,0,0|2,0,0]=4 2004 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100102657272_100000185082 [0,2,0,0,0,0|2,0,0]=4 2005 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100102657272_100000185082 [0,2,0,0,0,0|2,0,0]=4 2006 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)F 11a_106832991635_100016278423 [0,2,0,0,0,0|2,0,0]=4 2007 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)F 1626a_100102657272_100016278423 [0,2,0,0,0,0|2,0,0]=4 2008 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)F 240690a_100102657272_100016278423 [0,2,0,0,0,0|2,0,0]=4 2009 B14R1.19598 CNC(=O)C=Cc1c(cccc1F)F 11a_106832991635_100000738813 [0,2,0,0,0,0|2,0,0]=4 2010 B14R1.19598 CNC(=O)C=Cc1c(cccc1F)F 1626a_100102657272_100000738813 [0,2,0,0,0,0|2,0,0]=4 2011 B14R1.19598 CNC(=O)C=Cc1c(cccc1F)F 240690a_100102657272_100000738813 [0,2,0,0,0,0|2,0,0]=4 2012 B14R1.19598 COC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000747449 [0,2,0,0,0,0|1,0,1]=4 2013 B14R1.19598 COC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000747449 [0,2,0,0,0,0|1,0,1]=4 2014 B14R1.19598 COC(=O)CNc1c(cccc1F)O 34a_100020591140_100000747449 [0,2,0,0,0,0|1,0,1]=4 2015 B14R1.19598 COC(=O)CNc1c(cccc1O)C 34a_100000743429_100000747449 [0,2,0,0,0,0|1,0,1]=4 2016 B14R1.19598 COC(=O)CSc1c(cccc1Br)O 62a_100000747449_100010187912 [0,2,0,0,0,0|1,0,1]=4 2017 B14R1.19598 COC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000747449 [0,2,0,0,0,0|1,0,1]=4 2018 B14R1.19598 COC(=O)CSc1c(cccc1Cl)O 62a_100000747449_100000050174 [0,2,0,0,0,0|1,0,1]=4 2019 B14R1.19598 COC(=O)CSc1c(cccc1F)O 62a_100000747449_100009820682 [0,2,0,0,0,0|1,0,1]=4 2020 B14R1.19598 COC(=O)CSc1c(cccc1F)O 62a_100009820682_100000747449 [0,2,0,0,0,0|1,0,1]=4 2021 B14R1.19598 COC(=O)CSc1c(cccc1O)C 62a_100000686692_100000747449 [0,2,0,0,0,0|1,0,1]=4 2022 B14R1.19598 COC(=O)CSc1c(cccc1O)C 62a_100000747449_100000686692 [0,2,0,0,0,0|1,0,1]=4 2023 B14R1.19598 COC(=O)CSc1c(cccc1O)N 62a_100000747449_100012183704 [0,2,0,0,0,0|1,0,1]=4 2024 B14R1.19598 COC(=O)CSc1c(cccc1O)N 62a_100012183704_100000747449 [0,2,0,0,0,0|1,0,1]=4 2025 B14R1.19598 COC(=O)CSc1c(cccc1O)O 62a_100000747449_100010205330 [0,2,0,0,0,0|1,0,1]=4 2026 B14R1.19598 O=C(C=Cc1c(cccc1Cl)Cl)CF 1458a_100000185082_100015361967 [0,2,0,0,0,0|2,0,0]=4 2027 B14R1.19598 O=C(C=Cc1c(cccc1Cl)F)CF 1458a_100016278423_100015361967 [0,2,0,0,0,0|2,0,0]=4 2028 B14R1.19598 O=C(C=Cc1c(cccc1F)F)CF 1458a_100000738813_100015361967 [0,2,0,0,0,0|2,0,0]=4 2029 B14R1.19598 O=C(C=Cc1c(cccc1I)F)CBr 6a_100010178011_100009888967 [0,2,0,0,0,0|2,0,0]=4 2030 B14R1.19598 O=C(C=Cc1c(cccc1I)F)CCl 6a_100010178011_100000086384 [0,2,0,0,0,0|2,0,0]=4 2031 B14R1.19598 O=C(C=Cc1c(cccc1I)F)CF 6a_100010178011_100000764096 [0,2,0,0,0,0|2,0,0]=4 2032 B14R1.2335 CC(O)C=Cc1cc(ccc1O)C#N 271570a_200011019289_100000725478 [0,2,0,0,0,0|1,0,1]=4 2033 B14R1.2335 CC(O)C=Cc1cc(ccc1O)C=O 271570a_200011019289_100000184552 [0,2,0,0,0,0|1,0,1]=4 2034 B14R1.2335 CC(O)C=Cc1cc(ccc1O)CO 271570a_200011019289_100011191544 [0,2,0,0,0,0|1,0,1]=4 2035 B14R1.2335 CCc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100012339963 [0,2,0,0,0,0|1,0,1]=4 2036 B14R1.2335 COc1ccc(c(c1)C=CC(C)O)O 271570a_200011019289_100000685887 [0,2,0,0,0,0|1,0,1]=4 2037 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,0,1,1,0,0|2,0,0]=4 2038 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,0,1,1,0,0|2,0,0]=4 2039 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,0,1,1,0,0|2,0,0]=4 2040 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,0,1,1,0,0|2,0,0]=4 2041 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,0,1,1,0,0|2,0,0]=4 2042 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,0,1,1,0,0|2,0,0]=4 2043 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,0,1,1,0,0|1,0,0]=3 2044 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,0,1,1,0,0|2,0,0]=4 2045 B12R1.258 C=C(C)c1cccc(c1)C(=O)N 271570a_100000694244_100000162208 [0,0,1,1,0,0|2,0,0]=4 2046 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [0,0,1,1,0,0|2,0,0]=4 2047 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [0,0,1,1,0,0|2,0,0]=4 2048 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,1,0,0|2,0,0]=4 2049 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,1,0,0|1,0,0]=3 2050 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,1,0,0|1,0,0]=3 2051 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,1,0,0|2,0,0]=4 2052 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,1,0,0|2,0,0]=4 2053 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,1,0,0|2,0,0]=4 2054 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,1,0,0|2,0,0]=4 2055 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,1,0,0|2,0,0]=4 2056 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,1,0,0|2,0,0]=4 2057 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,1,0,0|2,0,0]=4 2058 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,1,0,0|2,0,0]=4 2059 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,1,0,0|2,0,0]=4 2060 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,1,0,0|2,0,0]=4 2061 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [1,0,0,1,0,0|2,0,0]=4 2062 B12R2.32 C=Cc1cc2ccccc2o1 271570a_100011290941_100010159458 [1,0,0,1,0,0|1,0,0]=3 2063 B12R2.32 C=Cc1cc2ccccc2s1 271570a_100011290941_100009816949 [1,0,0,1,0,0|1,1,0]=4 2064 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [1,0,0,1,0,0|2,0,0]=4 2065 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [1,0,0,1,0,0|2,0,0]=4 2066 B12R2.196 Cc1c[nH]c2c1cccc2O 271570a_203496583355_100010186758 [1,0,0,1,0,0|2,0,0]=4 2067 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [1,0,0,1,0,0|2,0,0]=4 2068 B12R2.196 O=C1CCc2c1cccc2O 271570a_203496583355_100000744605 [1,0,0,1,0,0|0,0,2]=4 2069 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [1,0,0,1,0,0|1,0,1]=4 2070 B12R2.196 O=C1NCc2c1cccc2O 271570a_203496583355_100000688282 [1,0,0,1,0,0|1,0,1]=4 2071 B12R2.196 O=C1OCc2c1cccc2O 271570a_203496583355_100010167076 [1,0,0,1,0,0|1,0,1]=4 2072 B12R2.196 O=c1[nH][nH]c2c1cccc2O 271570a_203496583355_100012199144 [1,0,0,1,0,0|2,0,0]=4 2073 B12R2.196 Oc1cccn2c1ncc2O 271570a_203496583355_200020799507 [1,0,0,1,0,0|2,0,0]=4 2074 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [1,0,0,1,0,0|2,0,0]=4 2075 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,1,0,0|1,0,0]=3 2076 B12R2.1081 Oc1cccc2c1cccn2 271570a_203496583355_100011290932 [1,0,0,1,0,0|1,0,0]=3 2077 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [1,0,0,1,0,0|2,0,0]=4 2078 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [1,0,0,1,0,0|2,0,0]=4 2079 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [1,0,0,1,0,0|2,0,0]=4 2080 B12R2.1081 Oc1cccc2c1nccc2 271570a_203496583355_100011215545 [1,0,0,1,0,0|2,0,0]=4 2081 B12R2.1081 Oc1cccc2c1nccn2 271570a_203496583355_100010003881 [1,0,0,1,0,0|2,0,0]=4 2082 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [1,0,0,1,0,0|2,0,0]=4 2083 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [1,0,0,1,0,0|2,0,0]=4 2084 B12R2.1081 Oc1cncc2c1cccc2 271570a_203496583355_100000187577 [1,0,0,1,0,0|2,0,0]=4 2085 B12R2.1081 Oc1cncc2c1cccn2 271570a_203496583355_100010211308 [1,0,0,1,0,0|2,0,0]=4 2086 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [1,0,0,1,0,0|2,0,0]=4 2087 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [1,0,0,1,0,0|2,0,0]=4 2088 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,0,0,1,1,0|2,0,0]=4 2089 B12R2.202 Cc1nc2c(cccc2o1)O 271570a_203496583355_100010883239 [0,0,0,1,1,0|2,0,0]=4 2090 B12R2.202 O=C1Cc2c(cccc2N1)O 271570a_203496583355_100009816812 [0,0,0,1,1,0|1,0,1]=4 2091 B12R2.202 O=C1Cc2cccc(c2C1)O 271570a_203496583355_100010205903 [0,0,0,1,1,0|1,0,1]=4 2092 B12R2.202 O=C1Cc2cccc(c2N1)O 271570a_203496583355_100000767046 [0,0,0,1,1,0|2,0,0]=4 2093 B12R2.202 O=c1[nH]c2cccc(c2o1)O 271570a_203496583355_100012360093 [0,0,0,1,1,0|2,0,0]=4 2094 B12R2.202 Oc1cc2c(nccc2s1)O 271570a_203496583355_100010116216 [0,0,0,1,1,0|1,1,0]=4 2095 B12R2.202 Oc1nc2c(cccc2[nH]1)O 271570a_203496583355_100012347640 [0,0,0,1,1,0|2,0,0]=4 2096 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,0,0,1,1,0|1,0,1]=4 2097 B14R2.256 Cc1c[nH]c(n1)c2ccccc2O 271570a_100000035170_100161115468 [0,0,0,1,0,1|2,0,0]=4 2098 B14R2.256 Cc1cc(cs1)c2ccccc2O 271570a_100000035170_100000759034 [0,0,0,1,0,1|2,0,0]=4 2099 B14R2.256 Cc1cc(cs1)c2ccccc2O 271570a_100000699828_100000739446 [0,0,0,1,0,1|2,0,0]=4 2100 B14R2.256 Cc1ccc(o1)c2ccccc2Br 271570a_100000061910_100000695589 [0,0,0,1,0,1|2,0,0]=4 2101 B14R2.256 Cc1ccc(o1)c2ccccc2C 271570a_100000061910_100000210755 [0,0,0,1,0,1|2,0,0]=4 2102 B14R2.256 Cc1ccc(o1)c2ccccc2Cl 271570a_100000061910_100000764095 [0,0,0,1,0,1|2,0,0]=4 2103 B14R2.256 Cc1ccc(o1)c2ccccc2F 271570a_100000061910_100011215700 [0,0,0,1,0,1|2,0,0]=4 2104 B14R2.256 Cc1ccc(o1)c2ccccc2N 271570a_100000061910_100000210017 [0,0,0,1,0,1|2,0,0]=4 2105 B14R2.256 Cc1ccc(o1)c2ccccc2O 271570a_100000061910_100000739446 [0,0,0,1,0,1|1,0,0]=3 2106 B14R2.256 Cc1ccc(o1)c2ccncc2O 271570a_100000061910_100009817591 [0,0,0,1,0,1|2,0,0]=4 2107 B14R2.256 Cc1ccc(o1)c2ncccc2O 271570a_100000061910_100000034122 [0,0,0,1,0,1|2,0,0]=4 2108 B14R2.256 Cc1ccc(s1)c2ccccc2O 271570a_100000035170_100000761539 [0,0,0,1,0,1|1,1,0]=4 2109 B14R2.256 Cc1ccc(s1)c2ccccc2O 271570a_100011934456_100000739446 [0,0,0,1,0,1|1,1,0]=4 2110 B14R2.256 Cc1cnc(s1)c2ccccc2O 271570a_100000035170_100000690809 [0,0,0,1,0,1|1,1,0]=4 2111 B14R2.256 Cc1csc(c1)c2ccccc2O 271570a_100000035170_100009876951 [0,0,0,1,0,1|2,0,0]=4 2112 B14R2.256 Cc1csc(c1)c2ccccc2O 271570a_100000038307_100000739446 [0,0,0,1,0,1|2,0,0]=4 2113 B14R2.256 Cc1csc(n1)c2ccccc2O 271570a_100000035170_100011291629 [0,0,0,1,0,1|2,0,0]=4 2114 B14R2.256 Cc1nc(c[nH]1)c2ccccc2O 271570a_100000035170_100009814057 [0,0,0,1,0,1|2,0,0]=4 2115 B14R2.256 Cc1nc(cs1)c2ccccc2O 271570a_100000035170_100011934587 [0,0,0,1,0,1|2,0,0]=4 2116 B14R2.256 Cc1ncc(s1)c2ccccc2O 271570a_100000035170_100000764884 [0,0,0,1,0,1|1,1,0]=4 2117 B14R2.256 Cc1ncc(s1)c2ccccc2O 271570a_100000696845_100000739446 [0,0,0,1,0,1|1,1,0]=4 2118 B14R2.256 Cc1nnc(o1)c2ccccc2O 271570a_100000035170_100000708914 [0,0,0,1,0,1|2,0,0]=4 2119 B14R2.256 Cc1nnc(o1)c2ccccc2O 271570a_203496583355_100000209789 [0,0,0,1,0,1|2,0,0]=4 2120 B14R2.256 Nc1csc(n1)c2ccccc2O 271570a_100000035170_200015188442 [0,0,0,1,0,1|2,0,0]=4 2121 B14R2.256 Nc1nc(cs1)c2ccccc2O 271570a_100000035170_100011998049 [0,0,0,1,0,1|2,0,0]=4 2122 B14R2.256 Nc1nc(cs1)c2ccccc2O 271570a_203496583355_200000168896 [0,0,0,1,0,1|2,0,0]=4 2123 B14R2.256 Nc1nnc(o1)c2ccccc2O 271570a_203496583355_100011209138 [0,0,0,1,0,1|2,0,0]=4 2124 B14R2.256 O=C1C=C(CC1)c2ccccc2O 271570a_100010737933_100000739446 [0,0,0,1,0,1|1,0,1]=4 2125 B14R2.256 Oc1ccccc1c2ccc(s2)Br 271570a_100000035170_100010197418 [0,0,0,1,0,1|1,1,0]=4 2126 B14R2.256 Oc1ccccc1c2ccc(s2)Cl 271570a_100000708867_100000739446 [0,0,0,1,0,1|1,1,0]=4 2127 B14R2.256 Oc1ccccc1c2nc(cs2)Br 271570a_100000035170_200016082925 [0,0,0,1,0,1|2,0,0]=4 2128 B14R2.256 Oc1nc(no1)c2ccccc2O 270196a_100000211048_100015183105 [0,0,0,1,0,1|2,0,0]=4 2129 B14R2.768 CC(=Cc1cc2ccccc2o1)C 271570a_100102525489_100010159458 [0,0,0,1,0,1|2,0,0]=4 2130 B14R2.768 CC(=O)Cc1cc2ccccc2o1 1458a_100000735538_200000210301 [0,0,0,1,0,1|1,0,0]=3 2131 B14R2.768 CC(=O)Cc1cc2ccccc2s1 1458a_100012001211_200000210301 [0,0,0,1,0,1|1,1,0]=4 2132 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100000070787_100000195508 [0,0,0,1,0,1|1,0,1]=4 2133 B14R2.768 CC(=O)Cc1nc2ccccc2o1 1458a_100015185861_200000210301 [0,0,0,1,0,1|1,0,1]=4 2134 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2o1 1458a_100000735538_200025704644 [0,0,0,1,0,1|1,0,0]=3 2135 B14R2.768 [13CH3]C(=O)Cc1cc2ccccc2s1 1458a_100012001211_200025704644 [0,0,0,1,0,1|1,1,0]=4 2136 B14R2.768 [13CH3]C(=O)Cc1nc2ccccc2o1 1458a_100015185861_200025704644 [0,0,0,1,0,1|1,0,1]=4 2137 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,0,0,1,0,1|2,0,0]=4 2138 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,0,0,1,0,1|2,0,0]=4 2139 B14R2.8032 CC(=O)c1c[nH]c2c1cccc2O 271570a_203496583355_100010272396 [0,0,0,1,0,1|1,0,0]=3 2140 B14R2.8032 CC(=O)n1ccc2c1nccc2O 271570a_203496583355_100010199678 [0,0,0,1,0,1|2,0,0]=4 2141 B14R2.8032 CC(=O)n1ncc2c1cccc2O 271570a_203496583355_100010063004 [0,0,0,1,0,1|2,0,0]=4 2142 B14R2.2 CC(=Cc1coc2c1cccc2)C 271570a_100102525489_100009812202 [0,1,0,1,0,0|2,0,0]=4 2143 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,1,0,1,0,0|1,0,1]=4 2144 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000070787_100009813815 [0,1,0,1,0,0|1,0,1]=4 2145 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000205995_200000210301 [0,1,0,1,0,0|1,0,1]=4 2146 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,1,0,1,0,0|1,0,1]=4 2147 B14R2.2 [13CH3]C(=O)Cc1noc2c1cccc2 1458a_100000205995_200025704644 [0,1,0,1,0,0|1,0,1]=4 2148 B14R2.450 CC(=O)C1=C(c2ccccc2C1)C 1458a_200000242466_200000210301 [0,1,0,1,0,0|2,0,0]=4 2149 B14R2.450 CC1=C(Cc2c1cccc2)C(=O)[13CH3] 1458a_200000242466_200025704644 [0,1,0,1,0,0|2,0,0]=4 2150 B14R2.1073 C=Cc1cccc2c1ccc(=O)[nH]2 271570a_100011290941_100000726145 [0,1,0,1,0,0|2,0,0]=4 2151 B14R2.1073 CNc1cccc2c1ccc(c2)O 34a_100000034668_200000210301 [0,1,0,1,0,0|2,0,0]=4 2152 B14R2.1073 COc1cccc2c1ccc(c2)Br 34a_100010202202_200000210301 [0,1,0,1,0,0|2,0,0]=4 2153 B14R2.1073 COc1cccc2c1ccc(c2)Br 7a_100010202202_200000210301 [0,1,0,1,0,0|2,0,0]=4 2154 B14R2.1073 COc1cccc2c1ccc(c2)F 34a_100009846233_200000210301 [0,1,0,1,0,0|2,0,0]=4 2155 B14R2.1073 COc1cccc2c1ccc(c2)F 7a_100009846233_200000210301 [0,1,0,1,0,0|2,0,0]=4 2156 B14R2.1073 COc1cccc2c1ccc(c2)N 34a_100000035793_200000210301 [0,1,0,1,0,0|2,0,0]=4 2157 B14R2.1073 COc1cccc2c1ccc(n2)O 271570a_203496583355_100010382897 [0,1,0,1,0,0|1,0,0]=3 2158 B14R2.1073 COc1cccc2c1ncc(n2)O 271570a_203496583355_100010890105 [0,1,0,1,0,0|2,0,0]=4 2159 B14R2.1073 COc1ccnc2c1ccc(c2)O 271570a_203496583355_100010204255 [0,1,0,1,0,0|2,0,0]=4 2160 B14R2.1073 CSc1cccc2c1ccc(=O)[nH]2 62a_200000210301_100000726145 [0,1,0,1,0,0|1,1,0]=4 2161 B14R2.1073 [13CH3]Nc1cccc2c1ccc(c2)O 34a_100000034668_200025704644 [0,1,0,1,0,0|2,0,0]=4 2162 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 34a_100010202202_200025704644 [0,1,0,1,0,0|2,0,0]=4 2163 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)Br 7a_100010202202_200025704644 [0,1,0,1,0,0|2,0,0]=4 2164 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 34a_100009846233_200025704644 [0,1,0,1,0,0|2,0,0]=4 2165 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)F 7a_100009846233_200025704644 [0,1,0,1,0,0|2,0,0]=4 2166 B14R2.1073 [13CH3]Oc1cccc2c1ccc(c2)N 34a_100000035793_200025704644 [0,1,0,1,0,0|2,0,0]=4 2167 B14R2.1073 [13CH3]Sc1cccc2c1ccc(=O)[nH]2 62a_200025704644_100000726145 [0,1,0,1,0,0|1,1,0]=4 2168 B14R2.7969 CC(=O)c1cc2cccc(c2o1)O 271570a_203496583355_100011280056 [0,1,0,1,0,0|1,0,0]=3 2169 B14R2.7969 NC(=O)c1cc2cccc(c2s1)O 271570a_203496583355_100020879177 [0,1,0,1,0,0|1,1,0]=4 2170 B14R2.29369 Cc1ccc2c(c(ccc2n1)F)O 271570a_203496583355_100010730238 [0,1,0,1,0,0|2,0,0]=4 2171 B14R2.29369 Cc1ccc2c(c(ccc2n1)O)O 271570a_203496583355_100010269489 [0,1,0,1,0,0|2,0,0]=4 2172 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,1,0,0|1,0,1]=4 2173 B14R2.29369 Oc1ccc2c(c(ccc2c1)O)F 271570a_203496583355_100010730138 [0,1,0,1,0,0|2,0,0]=4 2174 B14R2.4529 CC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000181247 [0,1,0,1,0,0|1,0,0]=3 2175 B14R2.4529 CC(O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000246534 [0,1,0,1,0,0|1,0,1]=4 2176 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,1,0,1,0,0|2,0,0]=4 2177 B14R2.4529 NC(=O)c1cc2cc(ccc2o1)O 271570a_203496583355_100000185017 [0,1,0,1,0,0|1,0,0]=3 2178 B14R2.4529 NC(=O)c1cc2ccc(cc2[nH]1)O 271570a_203496583355_100009814495 [0,1,0,1,0,0|2,0,0]=4 2179 B14R2.4529 OB(O)c1cc2cc(ccc2o1)O 271570a_203496583355_100010176198 [0,1,0,1,0,0|1,0,1]=4 2180 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,1,0,0|2,0,0]=4 2181 B14R2.28480 O=c1[nH]c2cccc(c2c(=O)o1)O 271570a_203496583355_100010201677 [0,1,0,1,0,0|2,0,0]=4 2182 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 34a_100000198572_200025704644 [0,1,0,1,0,0|1,0,1]=4 2183 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 7a_100000198572_200025704644 [0,1,0,1,0,0|1,0,1]=4 2184 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,1,0,1,0,0|2,0,0]=4 2185 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 11a_106832991635_100009862756 [0,1,0,1,0,0|2,0,0]=4 2186 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 1626a_100102657272_100009862756 [0,1,0,1,0,0|2,0,0]=4 2187 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 240690a_100102657272_100009862756 [0,1,0,1,0,0|2,0,0]=4 2188 B14R2.972 COC(C)c1cc2ccccc2o1 34a_100000198572_200000210301 [0,1,0,1,0,0|1,0,1]=4 2189 B14R2.972 COC(C)c1cc2ccccc2o1 7a_100000198572_200000210301 [0,1,0,1,0,0|1,0,1]=4 2190 B14R2.972 O=C(CF)C1=Cc2ccccc2C1 1458a_100009862756_100015361967 [0,1,0,1,0,0|2,0,0]=4 2191 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [0,1,0,1,0,0|2,0,0]=4 2192 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [0,1,0,1,0,0|2,0,0]=4 2193 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [0,1,0,1,0,0|2,0,0]=4 2194 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [0,1,0,1,0,0|2,0,0]=4 2195 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [0,1,0,1,0,0|2,0,0]=4 2196 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [0,1,0,1,0,0|1,0,0]=3 2197 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [0,1,0,1,0,0|2,0,0]=4 2198 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [0,1,0,1,0,0|2,0,0]=4 2199 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [0,1,0,1,0,0|1,1,0]=4 2200 B14R2.1801 N#Cc1ccc2c(cccc2c1)O 271570a_203496583355_100010090035 [0,1,0,1,0,0|2,0,0]=4 2201 B14R2.1801 N#Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010235449 [0,1,0,1,0,0|2,0,0]=4 2202 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [0,1,0,1,0,0|2,0,0]=4 2203 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [0,1,0,1,0,0|2,0,0]=4 2204 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [0,1,0,1,0,0|2,0,0]=4 2205 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [0,1,0,1,0,0|2,0,0]=4 2206 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [0,1,0,1,0,0|1,1,0]=4 2207 B14R2.8038 O=c1c(c[nH]c2c1cccc2F)O 271570a_203496583355_100012351745 [0,1,0,1,0,0|2,0,0]=4 2208 B14R2.8751 Cc1ccc2c(ccc(c2n1)N)O 271570a_203496583355_100012970290 [0,1,0,1,0,0|2,0,0]=4 2209 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,1,0|2,0,0]=4 2210 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,1,0|1,0,1]=4 2211 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,1,0|2,0,0]=4 2212 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,1,0|2,0,0]=4 2213 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,1,0|2,0,0]=4 2214 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,1,0|2,0,0]=4 2215 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,0,0,1,0|2,0,0]=4 2216 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,0,0,0,1,0|2,0,0]=4 2217 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [1,0,0,0,1,0|2,0,0]=4 2218 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,0,0,1,0|2,0,0]=4 2219 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,0,0,0,1,0|2,0,0]=4 2220 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [1,0,0,0,1,0|2,0,0]=4 2221 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,0,0,0,2,0|2,0,0]=4 2222 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,0,0,2,0|2,0,0]=4 2223 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,0,0,2,0|2,0,0]=4 2224 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,0,0,2,0|2,0,0]=4 2225 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,0,0,2,0|2,0,0]=4 2226 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,0,0,2,0|2,0,0]=4 2227 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,0,0,2,0|1,0,0]=3 2228 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,0,0,2,0|1,0,0]=3 2229 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,0,0,2,0|1,0,1]=4 2230 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,0,0,0,2,0|2,0,0]=4 2231 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,0,0,0,2,0|2,0,0]=4 2232 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,0,0,0,2,0|2,0,0]=4 2233 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,0,0,2,0|2,0,0]=4 2234 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,0,0,0,2,0|1,0,1]=4 2235 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,0,0,0,2,0|2,0,0]=4 2236 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,0,0,2,0|2,0,0]=4 2237 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,0,0,0,2,0|1,0,0]=3 2238 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,0,0,0,2,0|2,0,0]=4 2239 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,0,0,0,2,0|2,0,0]=4 2240 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,0,0,0,2,0|2,0,0]=4 2241 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,0,0,0,2,0|2,0,0]=4 2242 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,0,0,0,2,0|1,0,1]=4 2243 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,0,0,2,0|2,0,0]=4 2244 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,0,0,2,0|2,0,0]=4 2245 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,0,0,2,0|2,0,0]=4 2246 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,0,0,2,0|2,0,0]=4 2247 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,0,0,2,0|1,0,0]=3 2248 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,0,0,2,0|1,0,1]=4 2249 B14R1.159 CC(=O)OCC=Cc1ccccc1Br 271570a_200000047263_100000695589 [0,0,0,0,0,2|2,0,0]=4 2250 B14R1.159 CC(=O)OCC=Cc1ccccc1C 271570a_200000047263_100000210755 [0,0,0,0,0,2|2,0,0]=4 2251 B14R1.159 CC(=O)OCC=Cc1ccccc1Cl 271570a_200000047263_100000764095 [0,0,0,0,0,2|2,0,0]=4 2252 B14R1.159 CC(=O)OCC=Cc1ccccc1F 271570a_200000047263_100011215700 [0,0,0,0,0,2|2,0,0]=4 2253 B14R1.159 CC(=O)OCC=Cc1ccccc1N 271570a_200000047263_100000210017 [0,0,0,0,0,2|2,0,0]=4 2254 B14R1.159 CC(=O)OCC=Cc1ccccc1O 271570a_200000047263_100000739446 [0,0,0,0,0,2|1,0,0]=3 2255 B14R1.159 CC(=O)OCC=Cc1ccncc1O 271570a_200000047263_100009817591 [0,0,0,0,0,2|2,0,0]=4 2256 B14R1.159 CC(=O)OCC=Cc1ncccc1O 271570a_200000047263_100000034122 [0,0,0,0,0,2|2,0,0]=4 2257 B14R1.159 O=C(O)CNCCc1ccccc1O 269956a_100016091260_100000722297 [0,0,0,0,0,2|0,0,2]=4 2258 B14R1.159 OB(O)/C=C/CNc1ccccc1O 34a_100000185747_100016262062 [0,0,0,0,0,2|1,0,1]=4 2259 B14R1.159 OB(O)/C=C/CSc1ccccc1O 62a_100000739446_100016262062 [0,0,0,0,0,2|1,0,1]=4 2260 B14R1.159 OB(O)/C=C/CSc1ccccc1O 62a_100016262062_100000739446 [0,0,0,0,0,2|1,0,1]=4