0 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,0,0,0,0,0|1,0,2]=4 1 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [0,0,1,0,0,0|3,0,0]=4 2 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,0,1,0,0,0|2,0,1]=4 3 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,0,1,0,0,0|2,0,1]=4 4 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,0,1,0,0,0|2,0,0]=3 7 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,0,1,0,0,0|3,0,0]=4 8 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,0,1,0,0,0|3,0,0]=4 12 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,0,1,0,0,0|2,0,1]=4 13 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,0,1,0,0,0|2,0,0]=3 14 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,0,1,0,0,0|2,0,0]=3 15 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,0,1,0,0,0|2,0,0]=3 16 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,0,1,0,0,0|2,0,0]=3 17 B13R1.135 CNC(=O)C(C)Cc1ccccn1 1626a_100102657272_100012000792 [0,0,1,0,0,0|3,0,0]=4 18 B13R1.135 CNC(=O)C(C)Cc1ccccn1 240690a_100102657272_100012000792 [0,0,1,0,0,0|3,0,0]=4 19 B13R1.135 CNC(=O)C(C)Cc1ccccn1 527a_100102657272_100012000792 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,0,1,0,0,0|3,0,0]=4 24 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,0,1,0,0,0|3,0,0]=4 26 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,0,1,0,0,0|3,0,0]=4 27 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,0,1,0,0,0|3,0,0]=4 29 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,0,1,0,0,0|3,0,0]=4 33 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,0,1,0,0,0|3,0,0]=4 34 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,0,1,0,0,0|3,0,0]=4 35 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,0,1,0,0,0|3,0,0]=4 36 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,0,1,0,0,0|3,0,0]=4 37 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,0,1,0,0,0|3,0,0]=4 39 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,0,1,0,0,0|3,0,0]=4 40 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,0,1,0,0,0|2,0,0]=3 41 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,0,1,0,0,0|3,0,0]=4 42 B13R1.152 C=C(C(=O)C(C)C)c1ccccc1 1458a_100000065200_100000210206 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,0,1,0,0,0|2,0,1]=4 44 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,0,1,0,0,0|2,0,1]=4 45 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,0,1,0,0,0|2,0,1]=4 46 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,0,1,0,0,0|2,0,1]=4 47 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [0,0,1,0,0,0|3,0,0]=4 50 B13R1.152 CC(C)C(=O)C(F)c1ccccc1 1458a_100000698975_100000210206 [0,0,1,0,0,0|3,0,0]=4 51 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000210198 [0,0,1,0,0,0|2,0,0]=3 52 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000210198 [0,0,1,0,0,0|2,0,0]=3 53 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000210198 [0,0,1,0,0,0|2,0,0]=3 54 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [0,0,1,0,0,0|3,0,0]=4 55 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [0,0,1,0,0,0|2,0,0]=3 56 B13R1.152 CC(F)C(=O)C(C)c1ccccc1 1458a_100000062450_100000230085 [0,0,1,0,0,0|3,0,0]=4 57 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000062450 [0,0,1,0,0,0|2,0,0]=3 58 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000062450 [0,0,1,0,0,0|2,0,0]=3 59 B13R1.152 CC(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000062450 [0,0,1,0,0,0|2,0,0]=3 60 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,0,1,0,0,0|2,0,1]=4 61 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,0,1,0,0,0|2,0,1]=4 62 B13R1.152 CN(C(=O)C(F)F)c1ccccc1 11a_100000210012_100000210393 [0,0,1,0,0,0|3,0,0]=4 63 B13R1.152 CN(C(=O)C(F)F)c1ccccc1 1626a_100000210012_100000210393 [0,0,1,0,0,0|3,0,0]=4 64 B13R1.152 CN(C(=O)C(F)F)c1ccccc1 22a_100000210012_100000210393 [0,0,1,0,0,0|3,0,0]=4 65 B13R1.152 CN(C(=O)C(O)O)c1ccccc1 22a_100000210012_100000233687 [0,0,1,0,0,0|3,0,0]=4 66 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [0,0,1,0,0,0|3,0,0]=4 67 B13R1.152 C[C@@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_100000717761 [0,0,1,0,0,0|2,0,0]=3 68 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 1626a_100000210012_217856618621 [0,0,1,0,0,0|2,0,0]=3 69 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_217856618621 [0,0,1,0,0,0|2,0,0]=3 70 B13R1.696 C=CC(=O)N(C)c1ccccc1C 1626a_100000219699_100000185746 [0,0,1,0,0,0|2,0,1]=4 71 B13R1.696 C=CC(=O)N(C)c1ccccc1C 22a_100000219699_100000185746 [0,0,1,0,0,0|2,0,1]=4 72 B13R1.696 CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210202 [0,0,1,0,0,0|3,0,0]=4 73 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,0,1,0,0,0|3,0,0]=4 74 B13R1.696 CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000210202 [0,0,1,0,0,0|3,0,0]=4 75 B13R1.696 CCC(=O)N(C)c1ccccc1Br 11a_100020606079_100000210414 [0,0,1,0,0,0|3,0,0]=4 76 B13R1.696 CCC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000210414 [0,0,1,0,0,0|3,0,0]=4 77 B13R1.696 CCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210414 [0,0,1,0,0,0|2,0,0]=3 78 B13R1.696 CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210414 [0,0,1,0,0,0|2,0,0]=3 79 B13R1.696 CCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210414 [0,0,1,0,0,0|2,0,0]=3 80 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 11a_100000219374_100000210414 [0,0,1,0,0,0|3,0,0]=4 81 B13R1.696 CCC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000210414 [0,0,1,0,0,0|3,0,0]=4 82 B13R1.696 CCC(=O)N(C)c1ccccc1F 11a_100000220357_100000210414 [0,0,1,0,0,0|3,0,0]=4 83 B13R1.696 CCC(=O)N(C)c1ccccc1F 1626a_100000220357_100000210414 [0,0,1,0,0,0|3,0,0]=4 84 B13R1.696 CCC(=O)N(C)c1ccccc1F 22a_100000220357_100000210414 [0,0,1,0,0,0|3,0,0]=4 85 B13R1.696 CCC(=O)N(C)c1ccccc1O 22a_100000033821_100000210414 [0,0,1,0,0,0|3,0,0]=4 86 B13R1.696 CCC(=O)N(C)c1ccccc1O 527a_100000033821_100000210414 [0,0,1,0,0,0|3,0,0]=4 87 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,0,1,0,0,0|3,0,0]=4 88 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,0,1,0,0,0|3,0,0]=4 89 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,0,1,0,0,0|3,0,0]=4 90 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,0,1,0,0,0|3,0,0]=4 91 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,0,1,0,0,0|2,0,0]=3 92 B13R1.696 O=C(CF)C(O)c1ccccc1Br 1458a_200011356456_100015361967 [0,0,1,0,0,0|3,0,0]=4 93 B13R1.696 O=C(CF)C(O)c1ccccc1Cl 1458a_100011217820_100015361967 [0,0,1,0,0,0|3,0,0]=4 94 B13R1.696 O=C(CF)C(O)c1ccccc1F 1458a_100011219519_100015361967 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.121 C=Cc1ccccc1CCC=O 271570a_100011290941_100011713448 [1,0,1,0,0,0|2,0,0]=4 96 B12R1.121 CNc1ccccc1OCC=O 34a_100000033821_200009817547 [1,0,1,0,0,0|2,0,0]=4 97 B12R1.121 CNc1ccccc1SCC=O 62a_100020606079_200015260668 [1,0,1,0,0,0|2,0,0]=4 98 B12R1.121 CNc1ccccc1SCC=O 62a_200015260668_100020606079 [1,0,1,0,0,0|2,0,0]=4 99 B12R1.121 CSc1ccccc1CCC=O 62a_100011713448_200000210301 [1,0,1,0,0,0|2,0,0]=4 100 B12R1.121 CSc1ccccc1CCC=O 62a_200000210301_100011713448 [1,0,1,0,0,0|2,0,0]=4 101 B12R1.121 NNc1ccccc1SCC=O 62a_100000241748_200015260668 [1,0,1,0,0,0|2,0,0]=4 102 B12R1.121 NNc1ccccc1SCC=O 62a_200015260668_100000241748 [1,0,1,0,0,0|2,0,0]=4 103 B12R1.121 O=CCNc1ccccc1CO 34a_100000212039_200009817547 [1,0,1,0,0,0|2,0,0]=4 104 B12R1.121 O=CCOc1ccccc1CO 34a_100011216872_200009817547 [1,0,1,0,0,0|2,0,0]=4 105 B12R1.121 O=CCSc1ccccc1CO 62a_100000187465_200015260668 [1,0,1,0,0,0|2,0,0]=4 106 B12R1.121 O=CCSc1ccccc1CO 62a_200015260668_100000187465 [1,0,1,0,0,0|2,0,0]=4 107 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_100011713448_200025704644 [1,0,1,0,0,0|2,0,0]=4 108 B12R1.121 [13CH3]Sc1ccccc1CCC=O 62a_200025704644_100011713448 [1,0,1,0,0,0|2,0,0]=4 109 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [1,0,1,0,0,0|1,0,1]=4 110 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [1,0,1,0,0,0|1,0,1]=4 111 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [1,0,1,0,0,0|2,0,0]=4 112 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [1,0,1,0,0,0|2,0,0]=4 113 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [1,0,1,0,0,0|2,0,0]=4 114 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [1,0,1,0,0,0|2,0,0]=4 115 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [1,0,1,0,0,0|1,0,0]=3 116 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [1,0,1,0,0,0|1,0,0]=3 117 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [1,0,1,0,0,0|1,0,0]=3 118 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [1,0,1,0,0,0|1,0,0]=3 119 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [1,0,1,0,0,0|2,0,0]=4 120 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [1,0,1,0,0,0|2,0,0]=4 121 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [1,0,1,0,0,0|2,0,0]=4 122 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [1,0,1,0,0,0|2,0,0]=4 123 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [1,0,1,0,0,0|2,0,0]=4 124 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [1,0,1,0,0,0|2,0,0]=4 125 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [1,0,1,0,0,0|2,0,0]=4 126 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [1,0,1,0,0,0|2,0,0]=4 127 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [1,0,1,0,0,0|2,0,0]=4 128 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [1,0,1,0,0,0|2,0,0]=4 129 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [1,0,1,0,0,0|2,0,0]=4 130 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [1,0,1,0,0,0|2,0,0]=4 131 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [1,0,1,0,0,0|2,0,0]=4 132 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [1,0,1,0,0,0|2,0,0]=4 133 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [1,0,1,0,0,0|2,0,0]=4 134 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [1,0,1,0,0,0|2,0,0]=4 135 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [1,0,1,0,0,0|1,0,0]=3 136 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [1,0,1,0,0,0|1,0,0]=3 137 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [1,0,1,0,0,0|2,0,0]=4 138 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [1,0,1,0,0,0|2,0,0]=4 139 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [1,0,1,0,0,0|2,0,0]=4 140 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [1,0,1,0,0,0|2,0,0]=4 141 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [1,0,1,0,0,0|2,0,0]=4 142 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [1,0,1,0,0,0|2,0,0]=4 143 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [1,0,1,0,0,0|2,0,0]=4 144 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [1,0,1,0,0,0|2,0,0]=4 145 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [1,0,1,0,0,0|2,0,0]=4 146 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [1,0,1,0,0,0|2,0,0]=4 147 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [1,0,1,0,0,0|1,0,0]=3 148 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [1,0,1,0,0,0|1,0,0]=3 149 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [1,0,1,0,0,0|1,0,0]=3 150 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [1,0,1,0,0,0|1,0,0]=3 151 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [1,0,1,0,0,0|2,0,0]=4 152 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [1,0,1,0,0,0|2,0,0]=4 153 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [1,0,1,0,0,0|2,0,0]=4 154 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [1,0,1,0,0,0|2,0,0]=4 155 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [1,0,1,0,0,0|2,0,0]=4 156 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [1,0,1,0,0,0|2,0,0]=4 157 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [1,0,1,0,0,0|2,0,0]=4 158 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [1,0,1,0,0,0|2,0,0]=4 159 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [1,0,1,0,0,0|2,0,0]=4 160 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [1,0,1,0,0,0|2,0,0]=4 161 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [1,0,1,0,0,0|2,0,0]=4 162 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [1,0,1,0,0,0|2,0,0]=4 163 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [1,0,1,0,0,0|2,0,0]=4 164 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [1,0,1,0,0,0|2,0,0]=4 165 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [1,0,1,0,0,0|2,0,0]=4 166 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [1,0,1,0,0,0|2,0,0]=4 167 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [1,0,1,0,0,0|2,0,0]=4 168 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [1,0,1,0,0,0|2,0,0]=4 169 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [1,0,1,0,0,0|2,0,0]=4 170 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [1,0,1,0,0,0|2,0,0]=4 171 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [1,0,1,0,0,0|2,0,0]=4 172 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [1,0,1,0,0,0|2,0,0]=4 173 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [1,0,1,0,0,0|2,0,0]=4 174 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [1,0,1,0,0,0|2,0,0]=4 175 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [1,0,1,0,0,0|2,0,0]=4 176 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [1,0,1,0,0,0|2,0,0]=4 177 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [1,0,1,0,0,0|2,0,0]=4 178 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [1,0,1,0,0,0|2,0,0]=4 179 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [1,0,1,0,0,0|2,0,0]=4 180 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [1,0,1,0,0,0|2,0,0]=4 181 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [1,0,1,0,0,0|1,0,0]=3 182 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [1,0,1,0,0,0|2,0,0]=4 183 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [1,0,1,0,0,0|2,0,0]=4 184 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [1,0,1,0,0,0|2,0,0]=4 185 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [1,0,1,0,0,0|2,0,0]=4 186 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [1,0,1,0,0,0|2,0,0]=4 187 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [1,0,1,0,0,0|1,0,1]=4 188 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [1,0,1,0,0,0|1,0,1]=4 189 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [1,0,1,0,0,0|1,0,1]=4 190 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [1,0,1,0,0,0|1,0,1]=4 191 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,0,1,0,0,0|2,0,0]=4 192 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,0,1,0,0,0|2,0,0]=4 193 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,0,1,0,0,0|2,0,0]=4 194 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [1,0,1,0,0,0|2,0,0]=4 195 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [1,0,1,0,0,0|1,0,0]=3 196 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [1,0,1,0,0,0|1,0,0]=3 197 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [1,0,1,0,0,0|1,0,0]=3 198 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [1,0,1,0,0,0|1,0,0]=3 199 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,0,1,0,0,0|2,0,0]=4 200 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [1,0,1,0,0,0|2,0,0]=4 201 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [1,0,1,0,0,0|1,0,0]=3 202 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [1,0,1,0,0,0|1,0,0]=3 203 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [1,0,1,0,0,0|1,0,0]=3 204 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [1,0,1,0,0,0|1,0,0]=3 205 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [1,0,1,0,0,0|2,0,0]=4 206 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [1,0,1,0,0,0|2,0,0]=4 207 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [1,0,1,0,0,0|2,0,0]=4 208 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [1,0,1,0,0,0|2,0,0]=4 209 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [1,0,1,0,0,0|2,0,0]=4 210 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [1,0,1,0,0,0|2,0,0]=4 211 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [1,0,1,0,0,0|2,0,0]=4 212 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [1,0,1,0,0,0|1,0,0]=3 213 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [1,0,1,0,0,0|2,0,0]=4 214 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [1,0,1,0,0,0|1,0,0]=3 215 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [1,0,1,0,0,0|1,0,0]=3 216 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [1,0,1,0,0,0|1,0,1]=4 217 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [1,0,1,0,0,0|2,0,0]=4 218 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [1,0,1,0,0,0|2,0,0]=4 219 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [1,0,1,0,0,0|2,0,0]=4 220 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [1,0,1,0,0,0|2,0,0]=4 221 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [1,0,1,0,0,0|2,0,0]=4 222 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [1,0,1,0,0,0|2,0,0]=4 223 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [1,0,1,0,0,0|2,0,0]=4 224 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [1,0,1,0,0,0|2,0,0]=4 225 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [1,0,1,0,0,0|2,0,0]=4 226 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [1,0,1,0,0,0|2,0,0]=4 227 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [1,0,1,0,0,0|1,0,1]=4 228 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,0,1,0,0,0|2,0,0]=4 229 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [1,0,1,0,0,0|2,0,0]=4 230 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [1,0,1,0,0,0|2,0,0]=4 231 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [1,0,1,0,0,0|2,0,0]=4 232 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [1,0,1,0,0,0|1,0,0]=3 233 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [1,0,1,0,0,0|1,0,0]=3 234 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [1,0,1,0,0,0|1,0,0]=3 235 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [1,0,1,0,0,0|2,0,0]=4 236 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [1,0,1,0,0,0|1,0,0]=3 237 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [1,0,1,0,0,0|2,0,0]=4 238 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [1,0,1,0,0,0|2,0,0]=4 239 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [1,0,1,0,0,0|2,0,0]=4 240 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [1,0,1,0,0,0|2,0,0]=4 241 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [1,0,1,0,0,0|2,0,0]=4 242 B12R1.169 CCSc1ccccc1NC=O 62a_100000210202_200020615051 [1,0,1,0,0,0|2,0,0]=4 243 B12R1.169 CCSc1ccccc1NC=O 62a_200020615051_100000210202 [1,0,1,0,0,0|2,0,0]=4 244 B12R1.169 O=CNc1ccccc1SCF 62a_100015361967_200020615051 [1,0,1,0,0,0|2,0,0]=4 245 B12R1.169 O=CNc1ccccc1SCF 62a_200020615051_100015361967 [1,0,1,0,0,0|2,0,0]=4 246 B12R1.283 C=C(C)c1ccccc1CCN 271570a_100000694244_100000747383 [1,0,1,0,0,0|2,0,0]=4 247 B12R1.124 CC(=O)C(O)c1ccccc1Br 1458a_200011356456_200000210301 [1,0,1,0,0,0|2,0,0]=4 248 B12R1.124 CC(=O)C(O)c1ccccc1Cl 1458a_100011217820_200000210301 [1,0,1,0,0,0|2,0,0]=4 249 B12R1.124 CC(=O)C(O)c1ccccc1F 1458a_100011219519_200000210301 [1,0,1,0,0,0|2,0,0]=4 250 B12R1.124 CC(=O)N(C)c1ccccc1Br 11a_100020606079_100015343762 [1,0,1,0,0,0|2,0,0]=4 251 B12R1.124 CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100015343762 [1,0,1,0,0,0|2,0,0]=4 252 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [1,0,1,0,0,0|1,0,0]=3 253 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [1,0,1,0,0,0|1,0,0]=3 254 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [1,0,1,0,0,0|1,0,0]=3 255 B12R1.124 CC(=O)N(C)c1ccccc1Cl 11a_100000219374_100015343762 [1,0,1,0,0,0|2,0,0]=4 256 B12R1.124 CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100015343762 [1,0,1,0,0,0|2,0,0]=4 257 B12R1.124 CC(=O)N(C)c1ccccc1F 11a_100000220357_100015343762 [1,0,1,0,0,0|2,0,0]=4 258 B12R1.124 CC(=O)N(C)c1ccccc1F 1626a_100000220357_100015343762 [1,0,1,0,0,0|2,0,0]=4 259 B12R1.124 CC(=O)N(C)c1ccccc1F 22a_100000220357_100000070787 [1,0,1,0,0,0|2,0,0]=4 260 B12R1.124 CC(=O)N(C)c1ccccc1O 22a_100000033821_100000070787 [1,0,1,0,0,0|2,0,0]=4 261 B12R1.124 CC(=O)N(C)c1ccccc1O 527a_100000033821_100103153847 [1,0,1,0,0,0|2,0,0]=4 262 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Br 1458a_200011356456_200025704644 [1,0,1,0,0,0|2,0,0]=4 263 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1Cl 1458a_100011217820_200025704644 [1,0,1,0,0,0|2,0,0]=4 264 B12R1.124 [13CH3]C(=O)C(O)c1ccccc1F 1458a_100011219519_200025704644 [1,0,1,0,0,0|2,0,0]=4 265 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [0,1,1,0,0,0|2,0,0]=4 266 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [0,1,1,0,0,0|2,0,0]=4 267 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [0,1,1,0,0,0|2,0,0]=4 268 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [0,1,1,0,0,0|2,0,0]=4 269 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [0,1,1,0,0,0|2,0,0]=4 270 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [0,1,1,0,0,0|2,0,0]=4 271 B14R1.60 CNNC(=O)C(C)Cc1ccccc1 22a_100016993582_100000754839 [0,1,1,0,0,0|2,0,0]=4 272 B14R1.60 CNNC(=O)[C@H](O)Cc1ccccc1 22a_100016993582_100009816399 [0,1,1,0,0,0|2,0,0]=4 273 B14R1.60 COCC(=O)C(C)Cc1ccccc1 1458a_100000210968_200011218536 [0,1,1,0,0,0|2,0,0]=4 274 B14R1.60 O=C(CCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100000211926 [0,1,1,0,0,0|2,0,0]=4 275 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 11a_106832991635_100000695199 [0,1,1,0,0,0|2,0,0]=4 276 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 1626a_100102657272_100000695199 [0,1,1,0,0,0|2,0,0]=4 277 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 240690a_100102657272_100000695199 [0,1,1,0,0,0|2,0,0]=4 278 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)Br 527a_100102657272_100000695199 [0,1,1,0,0,0|2,0,0]=4 279 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 11a_106832991635_100000746122 [0,1,1,0,0,0|2,0,0]=4 280 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 1626a_100102657272_100000746122 [0,1,1,0,0,0|2,0,0]=4 281 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 240690a_100102657272_100000746122 [0,1,1,0,0,0|2,0,0]=4 282 B14R1.134 CNC(=O)C(C)Cc1ccc(cc1)F 527a_100102657272_100000746122 [0,1,1,0,0,0|2,0,0]=4 283 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)Cl 240690a_100102657272_100012362158 [0,1,1,0,0,0|2,0,0]=4 284 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)F 240690a_100102657272_100012179405 [0,1,1,0,0,0|2,0,0]=4 285 B14R1.134 CNC(=O)C(O)Cc1ccc(cc1)O 240690a_100102657272_100015278814 [0,1,1,0,0,0|2,0,0]=4 286 B14R1.134 CNC(=O)[C@@H](O)Cc1ccc(cc1)Br 240690a_100102657272_200015644258 [0,1,1,0,0,0|2,0,0]=4 287 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [0,1,1,0,0,0|2,0,0]=4 288 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [0,1,1,0,0,0|2,0,0]=4 289 B14R1.135 CNC(=O)C(O)Cc1cccc(c1)Br 240690a_100102657272_100012362086 [0,1,1,0,0,0|2,0,0]=4 290 B14R1.135 CNC(=O)[C@@H](O)Cc1cccc(c1)F 240690a_100102657272_200016142683 [0,1,1,0,0,0|2,0,0]=4 291 B14R1.135 COC(=O)C(N)Cc1cccc(c1)O 271570a_203496583355_100102946621 [0,1,1,0,0,0|2,0,0]=4 292 B14R1.425 CC(Cc1ccccc1)C(=O)C(O)O 1458a_100000233687_200011218536 [0,1,1,0,0,0|2,0,0]=4 293 B14R1.425 CC(Cc1ccccc1)C(=O)N(C)C 11a_100102631434_100000754839 [0,1,1,0,0,0|2,0,0]=4 294 B14R1.425 CC(Cc1ccccc1)C(=O)N(C)C 1626a_100102631434_100000754839 [0,1,1,0,0,0|2,0,0]=4 295 B14R1.425 CC(Cc1ccccc1)C(=O)N(C)C 240690a_100102631434_100000754839 [0,1,1,0,0,0|2,0,0]=4 296 B14R1.425 CC(Cc1ccccc1)C(=O)N(C)C 527a_100102631434_100000754839 [0,1,1,0,0,0|2,0,0]=4 297 B14R1.425 CC(Cc1ccccc1)C(=O)[C@@H](C)O 1458a_100000717761_200011218536 [0,1,1,0,0,0|2,0,0]=4 298 B14R1.425 CC(Cc1ccccc1)C(=O)[C@H](C)O 1458a_217856618621_200011218536 [0,1,1,0,0,0|2,0,0]=4 299 B14R1.425 CN(C)C(=O)[C@H](O)Cc1ccccc1 240690a_100102631434_100009816399 [0,1,1,0,0,0|2,0,0]=4 300 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Br 240690a_100102657272_100012382637 [0,1,1,0,0,0|2,0,0]=4 301 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Cl 240690a_100102657272_100000703902 [0,1,1,0,0,0|2,0,0]=4 302 B14R1.1007 CNC(=O)C(O)Cc1ccccc1Cl 527a_100102657272_100000703902 [0,1,1,0,0,0|2,0,0]=4 303 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 11a_106832991635_100000075392 [0,1,1,0,0,0|1,0,1]=4 304 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 1626a_100102657272_100000075392 [0,1,1,0,0,0|1,0,1]=4 305 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 240690a_100102657272_100000075392 [0,1,1,0,0,0|1,0,1]=4 306 B14R1.1031 CNC(=O)C(C#N)Cc1ccccc1 527a_100102657272_100000075392 [0,1,1,0,0,0|1,0,1]=4 307 B14R1.1031 CNC(=O)C(Cc1ccccc1)NC 2230a_100000719550_200000210301 [0,1,1,0,0,0|1,0,0]=3 308 B14R1.1031 CNC(=O)C(Cc1ccccc1)NC 34a_100000719550_200000210301 [0,1,1,0,0,0|1,0,0]=3 309 B14R1.1031 CNC(=O)C(Cc1ccccc1)N[13CH3] 2230a_100000719550_200025704644 [0,1,1,0,0,0|1,0,0]=3 310 B14R1.1031 CNC(=O)C(Cc1ccccc1)N[13CH3] 34a_100000719550_200025704644 [0,1,1,0,0,0|1,0,0]=3 311 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC 34a_100102657272_100000764117 [0,1,1,0,0,0|2,0,0]=4 312 B14R1.1031 N#CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_100000183401 [0,1,1,0,0,0|1,0,1]=4 313 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 11a_106832991635_100000757416 [0,1,1,0,0,0|2,0,0]=4 314 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 1626a_100102657272_100000757416 [0,1,1,0,0,0|2,0,0]=4 315 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 240690a_100102657272_100000757416 [0,1,1,0,0,0|2,0,0]=4 316 B14R1.1107 CNC(=O)C(C)(C)Cc1ccccc1 527a_100102657272_100000757416 [0,1,1,0,0,0|2,0,0]=4 317 B14R1.132 CC(C)C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210206 [0,1,1,0,0,0|2,0,0]=4 318 B14R1.132 CC(C)C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210206 [0,1,1,0,0,0|2,0,0]=4 319 B14R1.132 CC(C)C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210206 [0,1,1,0,0,0|2,0,0]=4 320 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100000210198 [0,1,1,0,0,0|2,0,0]=4 321 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100000210198 [0,1,1,0,0,0|2,0,0]=4 322 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000210198 [0,1,1,0,0,0|2,0,0]=4 323 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100000210198 [0,1,1,0,0,0|2,0,0]=4 324 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100000210198 [0,1,1,0,0,0|2,0,0]=4 325 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000210198 [0,1,1,0,0,0|2,0,0]=4 326 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)F 11a_100000219829_100000210198 [0,1,1,0,0,0|2,0,0]=4 327 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100000210198 [0,1,1,0,0,0|2,0,0]=4 328 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000210198 [0,1,1,0,0,0|2,0,0]=4 329 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)I 11a_100000743151_100000210198 [0,1,1,0,0,0|2,0,0]=4 330 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100000210198 [0,1,1,0,0,0|2,0,0]=4 331 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000210198 [0,1,1,0,0,0|2,0,0]=4 332 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000210198 [0,1,1,0,0,0|2,0,0]=4 333 B14R1.132 CC(C)C(=O)N(C)c1ccc(cc1)O 527a_100000182112_100000210198 [0,1,1,0,0,0|2,0,0]=4 334 B14R1.132 CC(C)C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210206 [0,1,1,0,0,0|2,0,0]=4 335 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100000062450 [0,1,1,0,0,0|2,0,0]=4 336 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100000062450 [0,1,1,0,0,0|2,0,0]=4 337 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000062450 [0,1,1,0,0,0|2,0,0]=4 338 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100000062450 [0,1,1,0,0,0|2,0,0]=4 339 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100000062450 [0,1,1,0,0,0|2,0,0]=4 340 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000062450 [0,1,1,0,0,0|2,0,0]=4 341 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)F 11a_100000219829_100000062450 [0,1,1,0,0,0|2,0,0]=4 342 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100000062450 [0,1,1,0,0,0|2,0,0]=4 343 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000062450 [0,1,1,0,0,0|2,0,0]=4 344 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)I 11a_100000743151_100000062450 [0,1,1,0,0,0|2,0,0]=4 345 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100000062450 [0,1,1,0,0,0|2,0,0]=4 346 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000062450 [0,1,1,0,0,0|2,0,0]=4 347 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000062450 [0,1,1,0,0,0|2,0,0]=4 348 B14R1.132 CC(F)C(=O)N(C)c1ccc(cc1)O 527a_100000182112_100000062450 [0,1,1,0,0,0|2,0,0]=4 349 B14R1.132 C[C@@H](O)C(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000717761 [0,1,1,0,0,0|2,0,0]=4 350 B14R1.132 C[C@@H](O)C(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000717761 [0,1,1,0,0,0|2,0,0]=4 351 B14R1.132 C[C@@H](O)C(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000717761 [0,1,1,0,0,0|2,0,0]=4 352 B14R1.132 C[C@@H](O)C(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000717761 [0,1,1,0,0,0|2,0,0]=4 353 B14R1.132 C[C@@H](O)C(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000717761 [0,1,1,0,0,0|2,0,0]=4 354 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_217856618621 [0,1,1,0,0,0|2,0,0]=4 355 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)Br 22a_100000219623_217856618621 [0,1,1,0,0,0|2,0,0]=4 356 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_217856618621 [0,1,1,0,0,0|2,0,0]=4 357 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_217856618621 [0,1,1,0,0,0|2,0,0]=4 358 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)F 1626a_100000219829_217856618621 [0,1,1,0,0,0|2,0,0]=4 359 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)F 22a_100000219829_217856618621 [0,1,1,0,0,0|2,0,0]=4 360 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)I 1626a_100000743151_217856618621 [0,1,1,0,0,0|2,0,0]=4 361 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)I 22a_100000743151_217856618621 [0,1,1,0,0,0|2,0,0]=4 362 B14R1.132 C[C@H](O)C(=O)N(C)c1ccc(cc1)O 22a_100000182112_217856618621 [0,1,1,0,0,0|2,0,0]=4 363 B14R1.132 Cc1ccc(cc1)N(C)C(=O)C(C)C 11a_100000219977_100000210198 [0,1,1,0,0,0|2,0,0]=4 364 B14R1.132 Cc1ccc(cc1)N(C)C(=O)C(C)C 1626a_100000219977_100000210198 [0,1,1,0,0,0|2,0,0]=4 365 B14R1.132 Cc1ccc(cc1)N(C)C(=O)C(C)C 22a_100000219977_100000210198 [0,1,1,0,0,0|2,0,0]=4 366 B14R1.132 Cc1ccc(cc1)N(C)C(=O)C(C)F 11a_100000219977_100000062450 [0,1,1,0,0,0|2,0,0]=4 367 B14R1.132 Cc1ccc(cc1)N(C)C(=O)C(C)F 1626a_100000219977_100000062450 [0,1,1,0,0,0|2,0,0]=4 368 B14R1.132 Cc1ccc(cc1)N(C)C(=O)C(C)F 22a_100000219977_100000062450 [0,1,1,0,0,0|2,0,0]=4 369 B14R1.132 Cc1ccc(cc1)N(C)C(=O)[C@@H](C)O 22a_100000219977_100000717761 [0,1,1,0,0,0|2,0,0]=4 370 B14R1.132 Cc1ccc(cc1)N(C)C(=O)[C@H](C)O 1626a_100000219977_217856618621 [0,1,1,0,0,0|2,0,0]=4 371 B14R1.132 Cc1ccc(cc1)N(C)C(=O)[C@H](C)O 22a_100000219977_217856618621 [0,1,1,0,0,0|2,0,0]=4 372 B14R1.132 Cc1ccc(cc1)[C@@H](O)C(=O)C(C)C 1458a_100009815954_100000210206 [0,1,1,0,0,0|2,0,0]=4 373 B14R1.150 CC(C)C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210206 [0,1,1,0,0,0|2,0,0]=4 374 B14R1.150 CC(C)C(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210206 [0,1,1,0,0,0|2,0,0]=4 375 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)Br 11a_100000219648_100000210198 [0,1,1,0,0,0|2,0,0]=4 376 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100000210198 [0,1,1,0,0,0|2,0,0]=4 377 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000210198 [0,1,1,0,0,0|2,0,0]=4 378 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)Br 527a_100000219648_100000210198 [0,1,1,0,0,0|2,0,0]=4 379 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100000210198 [0,1,1,0,0,0|2,0,0]=4 380 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100000210198 [0,1,1,0,0,0|2,0,0]=4 381 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000210198 [0,1,1,0,0,0|2,0,0]=4 382 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)F 11a_100020633736_100000210198 [0,1,1,0,0,0|2,0,0]=4 383 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000210198 [0,1,1,0,0,0|2,0,0]=4 384 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)F 22a_100020633736_100000210198 [0,1,1,0,0,0|2,0,0]=4 385 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)I 11a_100000221217_100000210198 [0,1,1,0,0,0|2,0,0]=4 386 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)I 1626a_100000221217_100000210198 [0,1,1,0,0,0|2,0,0]=4 387 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)I 22a_100000221217_100000210198 [0,1,1,0,0,0|2,0,0]=4 388 B14R1.150 CC(C)C(=O)N(C)c1cccc(c1)O 527a_100000756613_100000210198 [0,1,1,0,0,0|2,0,0]=4 389 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)Br 11a_100000219648_100000062450 [0,1,1,0,0,0|2,0,0]=4 390 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)Br 1626a_100000219648_100000062450 [0,1,1,0,0,0|2,0,0]=4 391 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000062450 [0,1,1,0,0,0|2,0,0]=4 392 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)Br 527a_100000219648_100000062450 [0,1,1,0,0,0|2,0,0]=4 393 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)Cl 11a_100000220044_100000062450 [0,1,1,0,0,0|2,0,0]=4 394 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_100000062450 [0,1,1,0,0,0|2,0,0]=4 395 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000062450 [0,1,1,0,0,0|2,0,0]=4 396 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)F 11a_100020633736_100000062450 [0,1,1,0,0,0|2,0,0]=4 397 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)F 1626a_100020633736_100000062450 [0,1,1,0,0,0|2,0,0]=4 398 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)F 22a_100020633736_100000062450 [0,1,1,0,0,0|2,0,0]=4 399 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)I 11a_100000221217_100000062450 [0,1,1,0,0,0|2,0,0]=4 400 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)I 1626a_100000221217_100000062450 [0,1,1,0,0,0|2,0,0]=4 401 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)I 22a_100000221217_100000062450 [0,1,1,0,0,0|2,0,0]=4 402 B14R1.150 CC(F)C(=O)N(C)c1cccc(c1)O 527a_100000756613_100000062450 [0,1,1,0,0,0|2,0,0]=4 403 B14R1.150 C[C@@H](O)C(=O)N(C)c1cccc(c1)Br 22a_100000219648_100000717761 [0,1,1,0,0,0|2,0,0]=4 404 B14R1.150 C[C@@H](O)C(=O)N(C)c1cccc(c1)Cl 22a_100000220044_100000717761 [0,1,1,0,0,0|2,0,0]=4 405 B14R1.150 C[C@@H](O)C(=O)N(C)c1cccc(c1)F 22a_100020633736_100000717761 [0,1,1,0,0,0|2,0,0]=4 406 B14R1.150 C[C@@H](O)C(=O)N(C)c1cccc(c1)I 22a_100000221217_100000717761 [0,1,1,0,0,0|2,0,0]=4 407 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)Br 1626a_100000219648_217856618621 [0,1,1,0,0,0|2,0,0]=4 408 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)Br 22a_100000219648_217856618621 [0,1,1,0,0,0|2,0,0]=4 409 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)Cl 1626a_100000220044_217856618621 [0,1,1,0,0,0|2,0,0]=4 410 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)Cl 22a_100000220044_217856618621 [0,1,1,0,0,0|2,0,0]=4 411 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)F 1626a_100020633736_217856618621 [0,1,1,0,0,0|2,0,0]=4 412 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)F 22a_100020633736_217856618621 [0,1,1,0,0,0|2,0,0]=4 413 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)I 1626a_100000221217_217856618621 [0,1,1,0,0,0|2,0,0]=4 414 B14R1.150 C[C@H](O)C(=O)N(C)c1cccc(c1)I 22a_100000221217_217856618621 [0,1,1,0,0,0|2,0,0]=4 415 B14R1.150 Cc1cccc(c1)C(O)C(=O)C(C)C 1458a_100011434945_100000210206 [0,1,1,0,0,0|2,0,0]=4 416 B14R1.150 Cc1cccc(c1)N(C)C(=O)C(C)C 11a_100000219674_100000210198 [0,1,1,0,0,0|2,0,0]=4 417 B14R1.150 Cc1cccc(c1)N(C)C(=O)C(C)C 1626a_100000219674_100000210198 [0,1,1,0,0,0|2,0,0]=4 418 B14R1.150 Cc1cccc(c1)N(C)C(=O)C(C)C 22a_100000219674_100000210198 [0,1,1,0,0,0|2,0,0]=4 419 B14R1.150 Cc1cccc(c1)N(C)C(=O)C(C)F 11a_100000219674_100000062450 [0,1,1,0,0,0|2,0,0]=4 420 B14R1.150 Cc1cccc(c1)N(C)C(=O)C(C)F 1626a_100000219674_100000062450 [0,1,1,0,0,0|2,0,0]=4 421 B14R1.150 Cc1cccc(c1)N(C)C(=O)C(C)F 22a_100000219674_100000062450 [0,1,1,0,0,0|2,0,0]=4 422 B14R1.150 Cc1cccc(c1)N(C)C(=O)[C@@H](C)O 22a_100000219674_100000717761 [0,1,1,0,0,0|2,0,0]=4 423 B14R1.150 Cc1cccc(c1)N(C)C(=O)[C@H](C)O 1626a_100000219674_217856618621 [0,1,1,0,0,0|2,0,0]=4 424 B14R1.150 Cc1cccc(c1)N(C)C(=O)[C@H](C)O 22a_100000219674_217856618621 [0,1,1,0,0,0|2,0,0]=4 425 B14R1.243 CC(C)C(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210206 [0,1,1,0,0,0|2,0,0]=4 426 B14R1.243 CC(C)C(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210206 [0,1,1,0,0,0|2,0,0]=4 427 B14R1.243 CC(C)C(=O)C(O)c1ccccc1F 1458a_100011219519_100000210206 [0,1,1,0,0,0|2,0,0]=4 428 B14R1.243 CC(C)C(=O)N(C)c1ccccc1Br 11a_100020606079_100000210198 [0,1,1,0,0,0|2,0,0]=4 429 B14R1.243 CC(C)C(=O)N(C)c1ccccc1Br 1626a_100020606079_100000210198 [0,1,1,0,0,0|2,0,0]=4 430 B14R1.243 CC(C)C(=O)N(C)c1ccccc1Cl 11a_100000219374_100000210198 [0,1,1,0,0,0|2,0,0]=4 431 B14R1.243 CC(C)C(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000210198 [0,1,1,0,0,0|2,0,0]=4 432 B14R1.243 CC(C)C(=O)N(C)c1ccccc1F 11a_100000220357_100000210198 [0,1,1,0,0,0|2,0,0]=4 433 B14R1.243 CC(C)C(=O)N(C)c1ccccc1F 1626a_100000220357_100000210198 [0,1,1,0,0,0|2,0,0]=4 434 B14R1.243 CC(C)C(=O)N(C)c1ccccc1F 22a_100000220357_100000210198 [0,1,1,0,0,0|2,0,0]=4 435 B14R1.243 CC(C)C(=O)N(C)c1ccccc1O 22a_100000033821_100000210198 [0,1,1,0,0,0|2,0,0]=4 436 B14R1.243 CC(C)C(=O)N(C)c1ccccc1O 527a_100000033821_100000210198 [0,1,1,0,0,0|2,0,0]=4 437 B14R1.243 CC(F)C(=O)N(C)c1ccccc1Br 11a_100020606079_100000062450 [0,1,1,0,0,0|2,0,0]=4 438 B14R1.243 CC(F)C(=O)N(C)c1ccccc1Br 1626a_100020606079_100000062450 [0,1,1,0,0,0|2,0,0]=4 439 B14R1.243 CC(F)C(=O)N(C)c1ccccc1Cl 11a_100000219374_100000062450 [0,1,1,0,0,0|2,0,0]=4 440 B14R1.243 CC(F)C(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000062450 [0,1,1,0,0,0|2,0,0]=4 441 B14R1.243 CC(F)C(=O)N(C)c1ccccc1F 11a_100000220357_100000062450 [0,1,1,0,0,0|2,0,0]=4 442 B14R1.243 CC(F)C(=O)N(C)c1ccccc1F 1626a_100000220357_100000062450 [0,1,1,0,0,0|2,0,0]=4 443 B14R1.243 CC(F)C(=O)N(C)c1ccccc1F 22a_100000220357_100000062450 [0,1,1,0,0,0|2,0,0]=4 444 B14R1.243 CC(F)C(=O)N(C)c1ccccc1O 22a_100000033821_100000062450 [0,1,1,0,0,0|2,0,0]=4 445 B14R1.243 CC(F)C(=O)N(C)c1ccccc1O 527a_100000033821_100000062450 [0,1,1,0,0,0|2,0,0]=4 446 B14R1.243 C[C@@H](O)C(=O)N(C)c1ccccc1F 22a_100000220357_100000717761 [0,1,1,0,0,0|2,0,0]=4 447 B14R1.243 C[C@@H](O)C(=O)N(C)c1ccccc1O 22a_100000033821_100000717761 [0,1,1,0,0,0|2,0,0]=4 448 B14R1.243 C[C@H](O)C(=O)N(C)c1ccccc1Br 1626a_100020606079_217856618621 [0,1,1,0,0,0|2,0,0]=4 449 B14R1.243 C[C@H](O)C(=O)N(C)c1ccccc1Cl 1626a_100000219374_217856618621 [0,1,1,0,0,0|2,0,0]=4 450 B14R1.243 C[C@H](O)C(=O)N(C)c1ccccc1F 1626a_100000220357_217856618621 [0,1,1,0,0,0|2,0,0]=4 451 B14R1.243 C[C@H](O)C(=O)N(C)c1ccccc1F 22a_100000220357_217856618621 [0,1,1,0,0,0|2,0,0]=4 452 B14R1.243 C[C@H](O)C(=O)N(C)c1ccccc1O 22a_100000033821_217856618621 [0,1,1,0,0,0|2,0,0]=4 453 B14R1.243 Cc1ccccc1N(C)C(=O)C(C)C 11a_100000219699_100000210198 [0,1,1,0,0,0|2,0,0]=4 454 B14R1.243 Cc1ccccc1N(C)C(=O)C(C)C 1626a_100000219699_100000210198 [0,1,1,0,0,0|2,0,0]=4 455 B14R1.243 Cc1ccccc1N(C)C(=O)C(C)C 22a_100000219699_100000210198 [0,1,1,0,0,0|2,0,0]=4 456 B14R1.243 Cc1ccccc1N(C)C(=O)C(C)F 11a_100000219699_100000062450 [0,1,1,0,0,0|2,0,0]=4 457 B14R1.243 Cc1ccccc1N(C)C(=O)C(C)F 1626a_100000219699_100000062450 [0,1,1,0,0,0|2,0,0]=4 458 B14R1.243 Cc1ccccc1N(C)C(=O)C(C)F 22a_100000219699_100000062450 [0,1,1,0,0,0|2,0,0]=4 459 B14R1.243 Cc1ccccc1N(C)C(=O)[C@@H](C)O 22a_100000219699_100000717761 [0,1,1,0,0,0|2,0,0]=4 460 B14R1.243 Cc1ccccc1N(C)C(=O)[C@H](C)O 1626a_100000219699_217856618621 [0,1,1,0,0,0|2,0,0]=4 461 B14R1.243 Cc1ccccc1N(C)C(=O)[C@H](C)O 22a_100000219699_217856618621 [0,1,1,0,0,0|2,0,0]=4 462 B14R1.1027 CC(C)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000210206 [0,1,1,0,0,0|2,0,0]=4 463 B14R1.1027 CCN(C(=O)C(C)C)c1ccccc1 11a_100000210013_100000210198 [0,1,1,0,0,0|2,0,0]=4 464 B14R1.1027 CCN(C(=O)C(C)C)c1ccccc1 1626a_100000210013_100000210198 [0,1,1,0,0,0|2,0,0]=4 465 B14R1.1027 CCN(C(=O)C(C)C)c1ccccc1 22a_100000210013_100000210198 [0,1,1,0,0,0|2,0,0]=4 466 B14R1.1027 CCN(C(=O)C(C)F)c1ccccc1 11a_100000210013_100000062450 [0,1,1,0,0,0|2,0,0]=4 467 B14R1.1027 CCN(C(=O)C(C)F)c1ccccc1 1626a_100000210013_100000062450 [0,1,1,0,0,0|2,0,0]=4 468 B14R1.1027 CCN(C(=O)C(C)F)c1ccccc1 22a_100000210013_100000062450 [0,1,1,0,0,0|2,0,0]=4 469 B14R1.1027 CCN(C(=O)[C@@H](C)O)c1ccccc1 22a_100000210013_100000717761 [0,1,1,0,0,0|2,0,0]=4 470 B14R1.1027 CCN(C(=O)[C@H](C)O)c1ccccc1 1626a_100000210013_217856618621 [0,1,1,0,0,0|2,0,0]=4 471 B14R1.1027 CCN(C(=O)[C@H](C)O)c1ccccc1 22a_100000210013_217856618621 [0,1,1,0,0,0|2,0,0]=4 472 B14R1.1027 CO[C@@H](C(=O)C(C)C)c1ccccc1 1458a_100000698336_100000210206 [0,1,1,0,0,0|2,0,0]=4 473 B14R1.6306 CC(C)C(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210206 [0,1,1,0,0,0|2,0,0]=4 474 B14R1.10526 CN(C(=O)C(C)(C)C)c1ccccc1 11a_100000210012_106744555173 [0,1,1,0,0,0|2,0,0]=4 475 B14R1.10526 CN(C(=O)C(C)(C)C)c1ccccc1 1626a_100000210012_106744555173 [0,1,1,0,0,0|2,0,0]=4 476 B14R1.10526 CN(C(=O)C(C)(C)C)c1ccccc1 22a_100000210012_106744555173 [0,1,1,0,0,0|2,0,0]=4 477 B14R1.10526 CN(C(=O)C(C)(C)F)c1ccccc1 11a_100000210012_100000765255 [0,1,1,0,0,0|2,0,0]=4 478 B14R1.10526 CN(C(=O)C(C)(C)F)c1ccccc1 1626a_100000210012_100000765255 [0,1,1,0,0,0|2,0,0]=4 479 B14R1.10526 CN(C(=O)C(C)(C)F)c1ccccc1 22a_100000210012_100000765255 [0,1,1,0,0,0|2,0,0]=4 480 B14R1.10526 CN(C(=O)C(C)(C)O)c1ccccc1 22a_100000210012_100000242741 [0,1,1,0,0,0|2,0,0]=4 481 B14R1.10526 CN(C(=O)C(C)(F)F)c1ccccc1 11a_100000210012_100000042251 [0,1,1,0,0,0|2,0,0]=4 482 B14R1.10526 CN(C(=O)C(C)(F)F)c1ccccc1 1626a_100000210012_100000042251 [0,1,1,0,0,0|2,0,0]=4 483 B14R1.10526 CN(C(=O)C(C)(F)F)c1ccccc1 22a_100000210012_100000042251 [0,1,1,0,0,0|2,0,0]=4 484 B14R1.18 CCC(=O)N(C)c1cccc(c1C)Cl 11a_100020606106_100000210414 [0,1,1,0,0,0|2,0,0]=4 485 B14R1.18 CCC(=O)N(C)c1cccc(c1C)Cl 1626a_100020606106_100000210414 [0,1,1,0,0,0|2,0,0]=4 486 B14R1.18 CCC(=O)N(C)c1cccc(c1C)Cl 22a_100020606106_100000210414 [0,1,1,0,0,0|2,0,0]=4 487 B14R1.18 Cc1c(cccc1N(C)C(=O)CO)Cl 22a_100020606106_100000210174 [0,1,1,0,0,0|2,0,0]=4 488 B14R1.988 CCC(=O)C(O)c1cc(ccc1C)C 1458a_100011497465_100000210202 [0,1,1,0,0,0|2,0,0]=4 489 B14R1.988 CCC(=O)N(C)c1cc(ccc1C)Br 11a_100020629602_100000210414 [0,1,1,0,0,0|2,0,0]=4 490 B14R1.988 CCC(=O)N(C)c1cc(ccc1C)Br 1626a_100020629602_100000210414 [0,1,1,0,0,0|2,0,0]=4 491 B14R1.988 CCC(=O)N(C)c1cc(ccc1C)Br 527a_100020629602_100000210414 [0,1,1,0,0,0|2,0,0]=4 492 B14R1.988 CCC(=O)N(C)c1cc(ccc1C)Cl 11a_100000221440_100000210414 [0,1,1,0,0,0|2,0,0]=4 493 B14R1.988 CCC(=O)N(C)c1cc(ccc1C)Cl 1626a_100000221440_100000210414 [0,1,1,0,0,0|2,0,0]=4 494 B14R1.988 CCC(=O)N(C)c1cc(ccc1C)F 11a_114849113390_100000210414 [0,1,1,0,0,0|2,0,0]=4 495 B14R1.988 CCC(=O)N(C)c1cc(ccc1C)F 1626a_114849113390_100000210414 [0,1,1,0,0,0|2,0,0]=4 496 B14R1.988 Cc1ccc(c(c1)C(O)C(=O)CF)C 1458a_100011497465_100015361967 [0,1,1,0,0,0|2,0,0]=4 497 B14R1.988 Cc1ccc(cc1N(C)C(=O)CO)Br 527a_100020629602_100000210174 [0,1,1,0,0,0|2,0,0]=4 498 B14R1.2819 CCC(=O)N(C)c1ccc(cc1C)Br 11a_100000221803_100000210414 [0,1,1,0,0,0|2,0,0]=4 499 B14R1.2819 CCC(=O)N(C)c1ccc(cc1C)Br 1626a_100000221803_100000210414 [0,1,1,0,0,0|2,0,0]=4 500 B14R1.2819 CCC(=O)N(C)c1ccc(cc1C)Cl 11a_114849113698_100000210414 [0,1,1,0,0,0|2,0,0]=4 501 B14R1.2819 CCC(=O)N(C)c1ccc(cc1C)Cl 1626a_114849113698_100000210414 [0,1,1,0,0,0|2,0,0]=4 502 B14R1.2819 CCC(=O)N(C)c1ccc(cc1C)O 22a_100161107805_100000210414 [0,1,1,0,0,0|2,0,0]=4 503 B14R1.2819 CCC(=O)N(C)c1ccc(cc1C)O 527a_100161107805_100000210414 [0,1,1,0,0,0|2,0,0]=4 504 B14R1.2819 Cc1cc(ccc1N(C)C(=O)CO)O 22a_100161107805_100000210174 [0,1,1,0,0,0|2,0,0]=4 505 B14R1.2819 Cc1cc(ccc1N(C)C(=O)CO)O 527a_100161107805_100000210174 [0,1,1,0,0,0|2,0,0]=4 506 B14R1.3348 C#CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100011220946 [0,1,1,0,0,0|2,0,0]=4 507 B14R1.3348 C=CCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210193 [0,1,1,0,0,0|2,0,0]=4 508 B14R1.3348 C=CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210193 [0,1,1,0,0,0|2,0,0]=4 509 B14R1.3348 C=CCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210193 [0,1,1,0,0,0|2,0,0]=4 510 B14R1.3348 CCCC(=O)N(C)c1ccccc1C 11a_100000219699_100000211992 [0,1,1,0,0,0|2,0,0]=4 511 B14R1.3348 CCCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000211992 [0,1,1,0,0,0|2,0,0]=4 512 B14R1.3348 CCCC(=O)N(C)c1ccccc1C 22a_100000219699_100000211992 [0,1,1,0,0,0|2,0,0]=4 513 B14R1.3348 CCNC(=O)N(C)c1ccccc1C 512a_100015525214_100000219699 [0,1,1,0,0,0|2,0,0]=4 514 B14R1.3348 CNNC(=O)N(C)c1ccccc1C 512a_100016993582_100000219699 [0,1,1,0,0,0|2,0,0]=4 515 B14R1.3348 COCC(=O)N(C)c1ccccc1C 11a_100000219699_100000210968 [0,1,1,0,0,0|2,0,0]=4 516 B14R1.3348 COCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000210968 [0,1,1,0,0,0|2,0,0]=4 517 B14R1.3348 COCC(=O)N(C)c1ccccc1C 22a_100000219699_100000210968 [0,1,1,0,0,0|2,0,0]=4 518 B14R1.3348 CSCC(=O)N(C)c1ccccc1C 11a_100000219699_100000184570 [0,1,1,0,0,0|2,0,0]=4 519 B14R1.3348 CSCC(=O)N(C)c1ccccc1C 1626a_100000219699_100000184570 [0,1,1,0,0,0|2,0,0]=4 520 B14R1.3348 CSCC(=O)N(C)c1ccccc1C 22a_100000219699_100000184570 [0,1,1,0,0,0|2,0,0]=4 521 B14R1.3348 Cc1ccccc1N(C)C(=O)CC#N 1626a_100000219699_100051588842 [0,1,1,0,0,0|1,0,1]=4 522 B14R1.3348 Cc1ccccc1N(C)C(=O)CC#N 22a_100000219699_100051588842 [0,1,1,0,0,0|1,0,1]=4 523 B14R1.3348 Cc1ccccc1N(C)C(=O)CCO 22a_100000219699_100011216618 [0,1,1,0,0,0|2,0,0]=4 524 B14R1.7706 CCC(=O)C(OC)c1ccccc1C 1458a_100012277922_100000210202 [0,1,1,0,0,0|2,0,0]=4 525 B14R1.7706 CCC(=O)N(CC)c1ccccc1C 11a_100000211084_100000210414 [0,1,1,0,0,0|2,0,0]=4 526 B14R1.7706 CCC(=O)N(CC)c1ccccc1C 1626a_100000211084_100000210414 [0,1,1,0,0,0|2,0,0]=4 527 B14R1.7706 CCC(=O)N(CC)c1ccccc1C 22a_100000211084_100000210414 [0,1,1,0,0,0|2,0,0]=4 528 B14R1.7706 CCN(C(=O)CO)c1ccccc1C 22a_100000211084_100000210174 [0,1,1,0,0,0|2,0,0]=4 529 B14R1.7706 COC(C(=O)CF)c1ccccc1C 1458a_100012277922_100015361967 [0,1,1,0,0,0|2,0,0]=4 530 B14R1.8657 CCC(=O)N(C)c1c(cccc1C)C 11a_100011645471_100000210414 [0,1,1,0,0,0|2,0,0]=4 531 B14R1.8657 CCC(=O)N(C)c1c(cccc1C)C 1626a_100011645471_100000210414 [0,1,1,0,0,0|2,0,0]=4 532 B14R2.4513 CN1C(=O)COc2c1cc(cc2)O 271570a_203496583355_100010196913 [1,1,0,0,0,0|2,0,0]=4 533 B14R2.29369 CN1C(=O)CCc2c1ccc(c2)O 271570a_203496583355_100000699942 [1,1,0,0,0,0|1,0,0]=3 534 B14R2.29369 CN1C(=O)COc2c1ccc(c2)O 271570a_203496583355_100010240413 [1,1,0,0,0,0|2,0,0]=4 535 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [1,1,0,0,0,0|2,0,0]=4 536 B14R2.8239 CN1Cc2cc(ccc2NC1=O)O 271570a_203496583355_100000188780 [1,1,0,0,0,0|2,0,0]=4 537 B14R2.28472 CN1Cc2c(cccc2NC1=O)O 271570a_203496583355_200010992586 [1,1,0,0,0,0|2,0,0]=4 538 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_106832991635_100009815801 [0,0,1,1,0,0|2,0,0]=4 539 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100102657272_100009815801 [0,0,1,1,0,0|2,0,0]=4 540 B14R2.958 CNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100102657272_100009815801 [0,0,1,1,0,0|2,0,0]=4 541 B14R2.972 CNC(=O)C1Cc2ccccc2C1 11a_106832991635_100000685393 [0,0,1,1,0,0|2,0,0]=4 542 B14R2.972 CNC(=O)C1Cc2ccccc2C1 1626a_100102657272_100000685393 [0,0,1,1,0,0|2,0,0]=4 543 B14R2.972 CNC(=O)C1Cc2ccccc2C1 240690a_100102657272_100000685393 [0,0,1,1,0,0|2,0,0]=4 544 B14R2.972 CNC(=O)C1Cc2ccccc2C1 527a_100102657272_100000685393 [0,0,1,1,0,0|2,0,0]=4 545 B14R2.972 CNC(=O)C1Cc2ccccc2O1 11a_106832991635_100000209886 [0,0,1,1,0,0|2,0,0]=4 546 B14R2.972 CNC(=O)C1Cc2ccccc2O1 1626a_100102657272_100000209886 [0,0,1,1,0,0|2,0,0]=4 547 B14R2.972 CNC(=O)C1Cc2ccccc2O1 240690a_100102657272_100000209886 [0,0,1,1,0,0|2,0,0]=4 548 B14R2.972 CNC(=O)C1Cc2ccccc2O1 527a_100102657272_100000209886 [0,0,1,1,0,0|2,0,0]=4 549 B14R2.972 CNC(=O)C1Cc2ccccc2S1 11a_106832991635_100000024912 [0,0,1,1,0,0|2,0,0]=4 550 B14R2.972 CNC(=O)C1Cc2ccccc2S1 1626a_100102657272_100000024912 [0,0,1,1,0,0|2,0,0]=4 551 B14R2.972 CNC(=O)C1Cc2ccccc2S1 240690a_100102657272_100000024912 [0,0,1,1,0,0|2,0,0]=4 552 B14R2.972 CNC(=O)C1Cc2ccccc2S1 527a_100102657272_100000024912 [0,0,1,1,0,0|2,0,0]=4 553 B14R2.972 O=C(CO)C1Cc2ccccc2C1 1458a_100000210174_100000753484 [0,0,1,1,0,0|2,0,0]=4 554 B14R2.15694 CN(C(=O)C1CC1)c2ccccc2 11a_100000210012_100000210395 [0,0,1,1,0,0|2,0,0]=4 555 B14R2.15694 CN(C(=O)C1CC1)c2ccccc2 1626a_100000210012_100000210395 [0,0,1,1,0,0|2,0,0]=4 556 B14R2.15694 CN(C(=O)C1CC1)c2ccccc2 22a_100000210012_100000210395 [0,0,1,1,0,0|2,0,0]=4 557 B14R2.15694 CN(C(=O)C1CO1)c2ccccc2 11a_100000210012_100000701028 [0,0,1,1,0,0|2,0,0]=4 558 B14R2.15694 CN(C(=O)C1CO1)c2ccccc2 1626a_100000210012_100000701028 [0,0,1,1,0,0|2,0,0]=4 559 B14R2.15694 CN(C(=O)C1CO1)c2ccccc2 22a_100000210012_100000701028 [0,0,1,1,0,0|2,0,0]=4 560 B14R1.756 CC(OCc1ccccc1)C(=O)NN 34a_100000725659_100015291786 [0,0,1,0,0,1|2,0,0]=4 561 B14R1.756 CNC(=O)C(C)CCc1ccccc1 11a_106832991635_100011435293 [0,0,1,0,0,1|2,0,0]=4 562 B14R1.756 CNC(=O)C(C)CCc1ccccc1 1626a_100102657272_100011435293 [0,0,1,0,0,1|2,0,0]=4 563 B14R1.756 CNC(=O)C(C)CCc1ccccc1 240690a_100102657272_100011435293 [0,0,1,0,0,1|2,0,0]=4 564 B14R1.756 CNC(=O)C(C)CCc1ccccc1 527a_100102657272_100011435293 [0,0,1,0,0,1|2,0,0]=4 565 B14R1.756 CNC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000731044 [0,0,1,0,0,1|2,0,0]=4 566 B14R1.756 CNC(=O)C(C)NCc1ccccc1 34a_100015324214_100000731044 [0,0,1,0,0,1|2,0,0]=4 567 B14R1.756 CNC(=O)C(C)OCc1ccccc1 34a_100000210790_100000731044 [0,0,1,0,0,1|2,0,0]=4 568 B14R1.756 CNC(=O)C(C)OCc1ccccc1 7a_100000210790_100000209862 [0,0,1,0,0,1|2,0,0]=4 569 B14R1.756 CNC(=O)C(C)SCc1ccccc1 11a_106832991635_100000149570 [0,0,1,0,0,1|2,0,0]=4 570 B14R1.756 CNC(=O)C(C)SCc1ccccc1 1626a_100102657272_100000149570 [0,0,1,0,0,1|2,0,0]=4 571 B14R1.756 CNC(=O)C(C)SCc1ccccc1 240690a_100102657272_100000149570 [0,0,1,0,0,1|2,0,0]=4 572 B14R1.756 CNC(=O)C(C)SCc1ccccc1 527a_100102657272_100000149570 [0,0,1,0,0,1|2,0,0]=4 573 B14R1.756 CNC(=O)C(C)SCc1ccccc1 62a_100000209862_100015291786 [0,0,1,0,0,1|2,0,0]=4 574 B14R1.756 CNC(=O)C(C)SCc1ccccc1 62a_100000211182_100000731044 [0,0,1,0,0,1|2,0,0]=4 575 B14R1.756 CNC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813575 [0,0,1,0,0,1|2,0,0]=4 576 B14R1.756 CNC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813575 [0,0,1,0,0,1|2,0,0]=4 577 B14R1.756 CNC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813575 [0,0,1,0,0,1|2,0,0]=4 578 B14R1.756 CNC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813575 [0,0,1,0,0,1|2,0,0]=4 579 B14R1.756 CNC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813575 [0,0,1,0,0,1|2,0,0]=4 580 B14R1.756 CNC(=O)C(F)SCc1ccccc1 62a_100009813575_100015291786 [0,0,1,0,0,1|2,0,0]=4 581 B14R1.756 CNC(=O)C(O)CCc1ccccc1 240690a_100102657272_100000242596 [0,0,1,0,0,1|2,0,0]=4 582 B14R1.756 CNC(=O)[C@@H](C)NCc1ccccc1 2230a_100000684985_100015291786 [0,0,1,0,0,1|2,0,0]=4 583 B14R1.756 CNC(=O)[C@@H](C)NCc1ccccc1 34a_100000684985_100015291786 [0,0,1,0,0,1|2,0,0]=4 584 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 11a_106832991635_100000703211 [0,0,1,0,0,1|2,0,0]=4 585 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 1626a_100102657272_100000703211 [0,0,1,0,0,1|2,0,0]=4 586 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 240690a_100102657272_100000703211 [0,0,1,0,0,1|2,0,0]=4 587 B14R1.756 CNC(=O)[C@H](C)OCc1ccccc1 527a_100102657272_100000703211 [0,0,1,0,0,1|2,0,0]=4 588 B14R1.415 CC(C)C(=O)CC(O)c1ccccc1 1458a_100000210198_100000185958 [0,0,1,0,0,1|2,0,0]=4 589 B14R1.415 CC(C)C(=O)CC(O)c1ccccc1 1458a_100000690199_100000210206 [0,0,1,0,0,1|2,0,0]=4 590 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 1458a_100000745425_100000210206 [0,0,1,0,0,1|2,0,0]=4 591 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 2230a_100000210012_100000753385 [0,0,1,0,0,1|2,0,0]=4 592 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 269982a_100000210012_100000753385 [0,0,1,0,0,1|2,0,0]=4 593 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 34a_100000210012_100000753385 [0,0,1,0,0,1|2,0,0]=4 594 B14R1.415 CC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000210198_100011933945 [0,0,1,0,0,1|2,0,0]=4 595 B14R1.415 CC(F)C(=O)CC(O)c1ccccc1 1458a_100000062450_100000185958 [0,0,1,0,0,1|2,0,0]=4 596 B14R1.415 CC(F)C(=O)C[C@@H](O)c1ccccc1 1458a_100000062450_100011933945 [0,0,1,0,0,1|2,0,0]=4 597 B14R1.415 C[C@@H](O)C(=O)CC(O)c1ccccc1 1458a_100000717761_100000185958 [0,0,1,0,0,1|2,0,0]=4 598 B14R1.415 C[C@@H](O)C(=O)C[C@@H](O)c1ccccc1 1458a_100000717761_100011933945 [0,0,1,0,0,1|2,0,0]=4 599 B14R1.415 C[C@H](O)C(=O)CC(O)c1ccccc1 1458a_217856618621_100000185958 [0,0,1,0,0,1|2,0,0]=4 600 B14R1.415 C[C@H](O)C(=O)C[C@@H](O)c1ccccc1 1458a_217856618621_100011933945 [0,0,1,0,0,1|2,0,0]=4 601 B14R1.417 CC(C)CC(=O)N(C)c1ccccc1 11a_100000210012_100000210554 [0,0,1,0,0,1|2,0,0]=4 602 B14R1.417 CC(C)CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210554 [0,0,1,0,0,1|2,0,0]=4 603 B14R1.417 CC(C)CC(=O)N(C)c1ccccc1 22a_100000210012_100000210554 [0,0,1,0,0,1|2,0,0]=4 604 B14R1.417 CC(C)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210624 [0,0,1,0,0,1|2,0,0]=4 605 B14R1.417 CC(C)NC(=O)N(C)c1ccccc1 512a_100138425928_100000210012 [0,0,1,0,0,1|2,0,0]=4 606 B14R1.417 CC(C)NC(=O)[C@H](O)c1ccccc1 240690a_100138425928_100000684486 [0,0,1,0,0,1|2,0,0]=4 607 B14R1.417 CC(O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100011218427 [0,0,1,0,0,1|2,0,0]=4 608 B14R1.417 C[C@@H](O)CC(=O)N(C)c1ccccc1 22a_100000210012_100011933948 [0,0,1,0,0,1|2,0,0]=4 609 B14R1.587 CCC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000747405 [0,0,1,0,0,1|2,0,0]=4