0 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,0,0,0,0,0|2,0,2]=4 18 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [0,0,0,0,0,0|2,0,2]=4 25 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,0,0,0,0,0|1,0,3]=4 26 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,0,0,0,0,0|1,0,3]=4 27 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,0,0,0,0,0|1,0,3]=4 33 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,0,0,0,0,0|1,0,3]=4 34 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,0,0,0,0,0|2,0,2]=4 37 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,0,0,0,0,0|2,0,2]=4 39 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|0,0,1]=2 42 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,0,0|1,0,2]=4 46 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,0,0|1,0,2]=4 51 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|1,0,2]=4 66 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,0|1,0,1]=3 71 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,1,0,0,0,0|1,0,2]=4 72 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,1,0,0,0,0|1,0,2]=4 73 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,1,0,0,0,0|1,0,2]=4 77 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,1,0,0,0,0|1,0,2]=4 78 B12R1.3 C=CC(SCF)c1ccccc1 62a_100015361967_200000085779 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.3 C=CC(SCF)c1ccccc1 62a_200000085779_100015361967 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.478 C=C(C)C(OC)c1ccccc1 34a_200011216824_200000210301 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.478 C=C(C)C(OC)c1ccccc1 7a_200011216824_200000210301 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 34a_200011216824_200025704644 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.478 C=C(C)C(O[13CH3])c1ccccc1 7a_200011216824_200025704644 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.478 CC(=O)C(CO)c1ccccc1 1458a_100011218805_200000210301 [0,1,0,0,0,0|0,0,3]=4 100 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_100009888967_200025704644 [0,1,0,0,0,0|1,0,1]=3 101 B12R1.478 CC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100009888967 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,0,0,0,0|0,0,2]=3 103 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,0,0,0,0|0,0,2]=3 104 B12R1.478 CCN(C(=O)C)c1ccccc1 11a_100000210013_100015343762 [0,1,0,0,0,0|1,0,1]=3 105 B12R1.478 CCN(C(=O)C)c1ccccc1 1626a_100000210013_100015343762 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.478 CCN(C(=O)C)c1ccccc1 22a_100000210013_100000070787 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.478 CNC(C(=O)N)c1ccccc1 2230a_106832991635_100000188848 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.478 CNC(C(=O)N)c1ccccc1 7a_106832991635_100000188848 [0,1,0,0,0,0|1,0,1]=3 111 B12R1.478 CNC(C(=O)O)c1ccccc1 269956a_100000230147_200000210301 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.478 CNC(C(=O)O)c1ccccn1 269956a_200016167988_200000210301 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.478 CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200000210301 [0,1,0,0,0,0|1,0,1]=3 114 B12R1.478 COC(C(=O)N)c1ccccc1 34a_100011200849_200000210301 [0,1,0,0,0,0|1,0,1]=3 115 B12R1.478 COC(C(=O)N)c1ccccc1 7a_100011200849_200000210301 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.478 CO[C@@H](C(=O)C)c1ccccc1 1458a_100000698336_200000210301 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.478 CO[C@@H](C(=O)[13CH3])c1ccccc1 1458a_100000698336_200025704644 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_100009888967_200000210301 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.478 CSC(C(=O)C)c1ccccc1 62a_200000210301_100009888967 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_100000188848_200000210301 [0,1,0,0,0,0|1,0,1]=3 121 B12R1.478 CSC(C(=O)N)c1ccccc1 62a_200000210301_100000188848 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.478 [13CH3]C(=O)C(CO)c1ccccc1 1458a_100011218805_200025704644 [0,1,0,0,0,0|0,0,3]=4 123 B12R1.478 [13CH3]NC(C(=O)O)c1ccccc1 269956a_100000230147_200025704644 [0,1,0,0,0,0|1,0,1]=3 124 B12R1.478 [13CH3]NC(C(=O)O)c1ccccn1 269956a_200016167988_200025704644 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.478 [13CH3]N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_200025704644 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 34a_100011200849_200025704644 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.478 [13CH3]OC(C(=O)N)c1ccccc1 7a_100011200849_200025704644 [0,1,0,0,0,0|1,0,1]=3 128 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_100000188848_200025704644 [0,1,0,0,0,0|1,0,1]=3 129 B12R1.478 [13CH3]SC(C(=O)N)c1ccccc1 62a_200025704644_100000188848 [0,1,0,0,0,0|1,0,1]=3 130 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [0,0,0,1,0,0|2,0,1]=4 131 B12R2.1 C=Cc1c[nH]c2c1ccnc2 271570a_100011290941_100010232032 [0,0,0,1,0,0|2,0,1]=4 132 B12R2.1 C=Cc1c[nH]c2c1cncc2 271570a_100011290941_100011934843 [0,0,0,1,0,0|2,0,1]=4 133 B12R2.1 C=Cc1c[nH]c2c1nccc2 271570a_100011290941_100009817151 [0,0,0,1,0,0|2,0,1]=4 134 B12R2.1 C=Cc1cnc2n1cccc2 271570a_100011290941_100011219245 [0,0,0,1,0,0|2,0,1]=4 135 B12R2.1 C=Cc1cnn2c1cccc2 271570a_100011290941_100009817726 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [0,0,0,1,0,0|0,0,2]=3 137 B12R2.1 C=Cc1coc2c1nccc2 271570a_100011290941_100009889148 [0,0,0,1,0,0|1,0,2]=4 138 B12R2.1 C=Cc1csc2c1cccc2 271570a_100011290941_100009813928 [0,0,0,1,0,0|0,1,1]=3 139 B12R2.1 C=Cc1csc2c1cccn2 271570a_100011290941_100009830249 [0,0,0,1,0,0|1,1,1]=4 140 B12R2.1 C=Cc1csc2c1ccnc2 271570a_100011290941_100009817111 [0,0,0,1,0,0|1,1,1]=4 141 B12R2.1 C=Cc1csc2c1cncc2 271570a_100011290941_100010247091 [0,0,0,1,0,0|1,1,1]=4 142 B12R2.1 C=Cc1csc2c1nccc2 271570a_100011290941_100010247092 [0,0,0,1,0,0|1,1,1]=4 143 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [0,0,0,1,0,0|2,0,1]=4 144 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,0,0,1,0,0|1,1,0]=3 145 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,0,0,1,0,0|1,1,0]=3 146 B12R2.1 CSc1c[nH]c2c1cccn2 62a_200000210301_100011934613 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.1 CSc1c[nH]c2c1ccnc2 62a_200000210301_100010232032 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.1 CSc1c[nH]c2c1cncc2 62a_200000210301_100000753697 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.1 CSc1c[nH]c2c1nccc2 62a_200000210301_100009817151 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.1 CSc1cnc2n1cccc2 62a_200000210301_100011219245 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.1 CSc1cnn2c1cccc2 62a_200000210301_100009817726 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,0,0,1,0,0|1,0,1]=3 153 B12R2.1 CSc1coc2c1nccc2 62a_200000210301_100009889148 [0,0,0,1,0,0|2,0,1]=4 154 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,0,0,1,0,0|1,1,0]=3 155 B12R2.1 CSc1csc2c1cccn2 62a_100009830249_200000210301 [0,0,0,1,0,0|2,1,0]=4 156 B12R2.1 CSc1csc2c1cccn2 62a_200000210301_100009830249 [0,0,0,1,0,0|2,1,0]=4 157 B12R2.1 CSc1csc2c1ccnc2 62a_100009817111_200000210301 [0,0,0,1,0,0|2,1,0]=4 158 B12R2.1 CSc1csc2c1ccnc2 62a_200000210301_100009817111 [0,0,0,1,0,0|2,1,0]=4 159 B12R2.1 CSc1csc2c1cncc2 62a_100010247091_200000210301 [0,0,0,1,0,0|2,1,0]=4 160 B12R2.1 CSc1csc2c1cncc2 62a_200000210301_100010247091 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.1 CSc1csc2c1nccc2 62a_200000210301_100010247092 [0,0,0,1,0,0|2,1,0]=4 162 B12R2.1 CSc1n[nH]c2c1cccc2 62a_200000210301_100000050141 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [0,0,0,1,0,0|2,0,1]=4 164 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [0,0,0,1,0,0|2,0,1]=4 165 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,0,0,1,0,0|1,1,0]=3 166 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,0,0,1,0,0|1,1,0]=3 167 B12R2.1 [13CH3]Sc1c[nH]c2c1cccn2 62a_200025704644_100011934613 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.1 [13CH3]Sc1c[nH]c2c1ccnc2 62a_200025704644_100010232032 [0,0,0,1,0,0|3,0,0]=4 169 B12R2.1 [13CH3]Sc1c[nH]c2c1cncc2 62a_200025704644_100000753697 [0,0,0,1,0,0|3,0,0]=4 170 B12R2.1 [13CH3]Sc1c[nH]c2c1nccc2 62a_200025704644_100009817151 [0,0,0,1,0,0|3,0,0]=4 171 B12R2.1 [13CH3]Sc1cnc2n1cccc2 62a_200025704644_100011219245 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.1 [13CH3]Sc1cnn2c1cccc2 62a_200025704644_100009817726 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,0,0,1,0,0|1,0,1]=3 174 B12R2.1 [13CH3]Sc1coc2c1nccc2 62a_200025704644_100009889148 [0,0,0,1,0,0|2,0,1]=4 175 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,0,0,1,0,0|1,1,0]=3 176 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_100009830249_200025704644 [0,0,0,1,0,0|2,1,0]=4 177 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_200025704644_100009830249 [0,0,0,1,0,0|2,1,0]=4 178 B12R2.1 [13CH3]Sc1csc2c1ccnc2 62a_100009817111_200025704644 [0,0,0,1,0,0|2,1,0]=4 179 B12R2.1 [13CH3]Sc1csc2c1ccnc2 62a_200025704644_100009817111 [0,0,0,1,0,0|2,1,0]=4 180 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_100010247091_200025704644 [0,0,0,1,0,0|2,1,0]=4 181 B12R2.1 [13CH3]Sc1csc2c1cncc2 62a_200025704644_100010247091 [0,0,0,1,0,0|2,1,0]=4 182 B12R2.1 [13CH3]Sc1csc2c1nccc2 62a_200025704644_100010247092 [0,0,0,1,0,0|2,1,0]=4 183 B12R2.1 [13CH3]Sc1n[nH]c2c1cccc2 62a_200025704644_100000050141 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [0,0,0,1,0,0|2,0,1]=4 185 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [0,0,0,1,0,0|2,0,1]=4 186 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,0|1,0,1]=3 187 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,0,0,1,0,0|2,0,1]=4 188 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,0,0,1,0,0|2,0,1]=4 189 B12R2.2 C1=C(CCC1)c2ccncc2 271570a_100000089523_100000035832 [0,0,0,1,0,0|2,0,1]=4 190 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,0,0,1,0,0|0,0,2]=3 191 B12R2.2 C1=C(CCO1)c2ccccn2 271570a_100000118173_100011216584 [0,0,0,1,0,0|1,0,2]=4 192 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [0,0,0,1,0,0|1,0,2]=4 193 B12R2.2 C1=C(CCO1)c2ccncc2 271570a_100000118173_100000035832 [0,0,0,1,0,0|1,0,2]=4 194 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,0,0,1,0,0|0,0,2]=3 195 B12R2.2 C1=C(COC1)c2ccccn2 271570a_100009872500_100011216584 [0,0,0,1,0,0|1,0,2]=4 196 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [0,0,0,1,0,0|1,0,2]=4 197 B12R2.2 C1=C(COC1)c2ccncc2 271570a_100009872500_100000035832 [0,0,0,1,0,0|1,0,2]=4 198 B12R2.2 c1cc(ccn1)c2cc[nH]c2 271570a_100000102155_100000035832 [0,0,0,1,0,0|2,0,1]=4 199 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100000752145_100011215275 [0,0,0,1,0,0|1,0,2]=4 200 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100011218838_100000035832 [0,0,0,1,0,0|1,0,2]=4 201 B12R2.2 c1cc(ccn1)c2ccsc2 271570a_100000752145_100000738268 [0,0,0,1,0,0|1,1,1]=4 202 B12R2.2 c1cc(ccn1)c2ccsc2 271570a_100011934443_100000035832 [0,0,0,1,0,0|1,1,1]=4 203 B12R2.2 c1cc(ccn1)c2cn[nH]c2 271570a_100000041997_100000035832 [0,0,0,1,0,0|3,0,0]=4 204 B12R2.2 c1cc(ccn1)c2cn[nH]c2 271570a_100000752145_100000238712 [0,0,0,1,0,0|3,0,0]=4 205 B12R2.2 c1cc(ccn1)c2cnoc2 271570a_100000752145_100009815712 [0,0,0,1,0,0|2,0,1]=4 206 B12R2.2 c1cc(ccn1)c2cnsc2 271570a_100000752145_100009815736 [0,0,0,1,0,0|2,1,0]=4 207 B12R2.2 c1ccc(cc1)c2c[nH]cn2 271570a_100011218836_100000756875 [0,0,0,1,0,0|2,0,1]=4 208 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [0,0,0,1,0,0|1,0,1]=3 209 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [0,0,0,1,0,0|2,0,1]=4 210 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [0,0,0,1,0,0|2,0,1]=4 211 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,0,0,1,0,0|2,0,1]=4 212 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,0,0,1,0,0|2,0,1]=4 213 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [0,0,0,1,0,0|2,0,1]=4 214 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [0,0,0,1,0,0|2,0,1]=4 215 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [0,0,0,1,0,0|0,0,2]=3 216 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [0,0,0,1,0,0|0,0,2]=3 217 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [0,0,0,1,0,0|0,1,1]=3 218 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [0,0,0,1,0,0|0,1,1]=3 219 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [0,0,0,1,0,0|1,1,1]=4 220 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000210277 [0,0,0,1,0,0|2,0,0]=3 221 B12R2.2 c1ccc(cc1)c2cn[nH]c2 271570a_100011218836_100000238712 [0,0,0,1,0,0|2,0,0]=3 222 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,0,0,1,0,0|2,0,1]=4 223 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100010231675_100000210277 [0,0,0,1,0,0|2,0,1]=4 224 B12R2.2 c1ccc(cc1)c2cncs2 271570a_100011218836_100011934649 [0,0,0,1,0,0|2,0,1]=4 225 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [0,0,0,1,0,0|1,0,1]=3 226 B12R2.2 c1ccc(cc1)c2cnsc2 271570a_100011218836_100009815736 [0,0,0,1,0,0|1,1,0]=3 227 B12R2.2 c1ccc(cc1)c2cscn2 271570a_100011218836_100000751502 [0,0,0,1,0,0|1,1,1]=4 228 B12R2.2 c1ccc(nc1)c2cc[nH]c2 271570a_100000102155_100011216584 [0,0,0,1,0,0|2,0,1]=4 229 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011218838_100011216584 [0,0,0,1,0,0|1,0,2]=4 230 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011264011_100011215275 [0,0,0,1,0,0|1,0,2]=4 231 B12R2.2 c1ccc(nc1)c2ccsc2 271570a_100011264011_100000738268 [0,0,0,1,0,0|1,1,1]=4 232 B12R2.2 c1ccc(nc1)c2ccsc2 271570a_100011934443_100011216584 [0,0,0,1,0,0|1,1,1]=4 233 B12R2.2 c1ccc(nc1)c2cn[nH]c2 271570a_100000041997_100011216584 [0,0,0,1,0,0|3,0,0]=4 234 B12R2.2 c1ccc(nc1)c2cn[nH]c2 271570a_100011264011_100000238712 [0,0,0,1,0,0|3,0,0]=4 235 B12R2.2 c1ccc(nc1)c2cnoc2 271570a_100011264011_100009815712 [0,0,0,1,0,0|2,0,1]=4 236 B12R2.2 c1ccc(nc1)c2cnsc2 271570a_100011264011_100009815736 [0,0,0,1,0,0|2,1,0]=4 237 B12R2.2 c1cncc(c1)c2cc[nH]c2 271570a_100000102155_100000752921 [0,0,0,1,0,0|2,0,1]=4 238 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100000757648_100011215275 [0,0,0,1,0,0|1,0,2]=4 239 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100011218838_100000752921 [0,0,0,1,0,0|1,0,2]=4 240 B12R2.2 c1cncc(c1)c2ccsc2 271570a_100000757648_100000738268 [0,0,0,1,0,0|1,1,1]=4 241 B12R2.2 c1cncc(c1)c2ccsc2 271570a_100011934443_100000752921 [0,0,0,1,0,0|1,1,1]=4 242 B12R2.2 c1cncc(c1)c2cn[nH]c2 271570a_100000041997_100000752921 [0,0,0,1,0,0|3,0,0]=4 243 B12R2.2 c1cncc(c1)c2cn[nH]c2 271570a_100000757648_100000238712 [0,0,0,1,0,0|3,0,0]=4 244 B12R2.2 c1cncc(c1)c2cnoc2 271570a_100000757648_100009815712 [0,0,0,1,0,0|2,0,1]=4 245 B12R2.2 c1cncc(c1)c2cnsc2 271570a_100000757648_100009815736 [0,0,0,1,0,0|2,1,0]=4 246 B12R1.118 O=CC(C=O)Nc1ccccc1 34a_100000106764_100000736813 [0,0,0,0,0,1|1,0,1]=3 247 B12R1.118 O=CC(C=O)Oc1ccccc1 34a_100000210340_100000736813 [0,0,0,0,0,1|1,0,1]=3 248 B12R1.118 O=CC(C=O)Oc1cccnc1 34a_100000210849_100000736813 [0,0,0,0,0,1|2,0,1]=4 249 B12R1.118 O=CC(C=O)Oc1ccncc1 34a_100000212176_100000736813 [0,0,0,0,0,1|2,0,1]=4 250 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000719477_100000736813 [0,0,0,0,0,1|1,0,1]=3 251 B12R1.118 O=CC(C=O)Sc1ccccc1 62a_100000736813_100000041952 [0,0,0,0,0,1|1,0,1]=3 252 B12R1.118 O=CC(C=O)Sc1ccccn1 62a_100000736813_100011216584 [0,0,0,0,0,1|2,0,1]=4 253 B12R1.118 O=CC(C=O)Sc1ccccn1 62a_100011216584_100000736813 [0,0,0,0,0,1|2,0,1]=4 254 B12R1.118 O=CC(C=O)Sc1cccnc1 62a_100000210063_100000736813 [0,0,0,0,0,1|2,0,1]=4 255 B12R1.118 O=CC(C=O)Sc1cccnc1 62a_100000736813_100000210063 [0,0,0,0,0,1|2,0,1]=4 256 B12R1.118 O=CC(C=O)Sc1ccncc1 62a_100000728582_100000736813 [0,0,0,0,0,1|2,0,1]=4 257 B12R1.118 O=CC(C=O)Sc1ccncc1 62a_100000736813_100000728582 [0,0,0,0,0,1|2,0,1]=4 258 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|0,0,0]=2 259 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [2,0,0,0,0,0|1,0,0]=3 260 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [2,0,0,0,0,0|1,0,0]=3 263 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,0]=2 269 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|1,0,1]=4 271 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|1,0,1]=4 272 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|1,0,1]=4 273 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|1,0,1]=4 274 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|1,0,1]=4 275 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,0]=2 276 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|0,0,2]=4 277 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,0]=2 278 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,0,0,0,0,0|1,0,0]=3 280 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,0,0,0,0,0|1,0,0]=3 282 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,1]=4 288 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 289 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,1]=4 290 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,1]=4 291 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,1]=4 292 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,1]=4 293 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 294 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,1]=4 295 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,1]=4 296 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 297 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,1]=4 298 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,1]=4 299 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,1]=4 300 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,1]=4 301 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,1]=4 302 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,1]=4 303 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,1]=4 304 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 305 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 306 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,1]=4 307 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,1]=4 308 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,1]=4 309 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,1]=4 310 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [1,1,0,0,0,0|0,0,2]=4 314 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,1,0,0,0,0|0,0,1]=3 315 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 317 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|0,0,1]=3 325 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [1,1,0,0,0,0|0,0,1]=3 326 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [1,1,0,0,0,0|0,0,1]=3 327 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [1,1,0,0,0,0|0,0,1]=3 328 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|0,0,1]=3 332 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,1,0,0,0,0|1,0,1]=4 333 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|0,0,1]=3 338 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|0,0,1]=3 339 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [1,1,0,0,0,0|1,0,1]=4 340 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [1,1,0,0,0,0|1,0,1]=4 344 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,1,0,0,0,0|1,0,1]=4 346 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [1,1,0,0,0,0|0,0,2]=4 347 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|0,0,1]=3 348 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|0,0,1]=3 349 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|0,0,1]=3 350 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|0,0,1]=3 351 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [1,1,0,0,0,0|1,0,1]=4 352 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|0,0,1]=3 359 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|0,0,1]=3 360 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|0,0,1]=3 361 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|0,0,1]=3 362 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|0,0,1]=3 363 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|0,0,1]=3 364 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|0,0,1]=3 365 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,1,0,0,0,0|1,0,1]=4 366 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 373 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 376 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|1,0,0]=3 379 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|1,0,0]=3 383 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 387 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,0]=3 388 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,1,0,0,0,0|2,0,0]=4 390 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,1,0,0,0,0|2,0,0]=4 391 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|1,0,0]=3 392 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|2,0,0]=4 393 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|1,0,1]=4 395 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|1,0,1]=4 396 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,1]=4 397 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|1,0,1]=4 400 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|1,0,1]=4 401 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|1,0,1]=4 402 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,1]=4 403 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,1]=4 404 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [1,1,0,0,0,0|1,0,1]=4 406 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|0,0,1]=3 407 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|0,0,1]=3 408 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|0,0,1]=3 409 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|0,0,1]=3 410 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|0,0,1]=3 411 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|0,0,1]=3 412 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|0,0,1]=3 413 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [1,1,0,0,0,0|1,0,1]=4 414 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 429 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 430 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 431 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|1,0,0]=3 432 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 434 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 435 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 436 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|1,0,0]=3 437 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 438 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [1,1,0,0,0,0|2,0,0]=4 442 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|1,0,1]=4 451 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|1,0,1]=4 452 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|1,0,0]=3 456 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,0|0,0,0]=2 457 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,0|0,0,0]=2 458 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|0,0,1]=3 459 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [1,1,0,0,0,0|1,0,1]=4 461 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [1,1,0,0,0,0|1,0,1]=4 462 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|0,0,1]=3 463 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|1,0,1]=4 464 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,1]=4 465 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 466 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 467 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|1,0,0]=3 468 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|0,0,1]=3 469 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|0,0,2]=4 470 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|0,0,1]=3 472 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 473 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 475 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 476 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|0,0,1]=3 477 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|0,0,2]=4 479 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|0,0,1]=3 480 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|0,0,1]=3 481 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|0,0,1]=3 482 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|0,0,1]=3 483 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|0,0,1]=3 484 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|0,0,1]=3 485 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|0,0,1]=3 486 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|1,0,0]=3 487 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 488 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 489 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 490 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 492 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 493 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 494 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|1,0,0]=3 495 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 496 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 497 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,1,0,0,0,0|2,0,0]=4 517 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,1,0,0,0,0|1,0,1]=4 520 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,1,0,0,0,0|1,0,1]=4 521 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,1,0,0,0,0|1,0,1]=4 522 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,1,0,0,0,0|1,0,1]=4 523 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|1,0,1]=4 524 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,1,0,0,0,0|1,0,1]=4 525 B13R1.79 CCN(CC=O)Cc1ccccc1 2230a_100000186914_200015260668 [0,1,0,0,0,1|1,0,1]=4 526 B13R1.79 CCN(CC=O)Cc1ccccc1 269982a_100000186914_200015260668 [0,1,0,0,0,1|1,0,1]=4 527 B13R1.86 CN(c1ccccc1)C(C=O)C=O 2230a_100000210012_100000736813 [0,1,0,0,0,1|1,0,1]=4 528 B13R1.86 CN(c1ccccc1)C(C=O)C=O 34a_100000210012_100000736813 [0,1,0,0,0,1|1,0,1]=4 529 B13R1.145 Cc1ccc(cc1)NC(C=O)C=O 34a_100000124888_100000736813 [0,1,0,0,0,1|1,0,1]=4 530 B13R1.145 Cc1ccc(cc1)OC(C=O)C=O 34a_100000210336_100000736813 [0,1,0,0,0,1|1,0,1]=4 531 B13R1.145 Cc1ccc(cc1)SC(C=O)C=O 62a_100000186775_100000736813 [0,1,0,0,0,1|1,0,1]=4 532 B13R1.145 Cc1ccc(cc1)SC(C=O)C=O 62a_100000736813_100000186775 [0,1,0,0,0,1|1,0,1]=4 533 B13R1.145 Nc1ccc(cc1)OC(C=O)C=O 34a_100000185829_100000736813 [0,1,0,0,0,1|1,0,1]=4 534 B13R1.145 Nc1ccc(cc1)SC(C=O)C=O 62a_100000185761_100000736813 [0,1,0,0,0,1|1,0,1]=4 535 B13R1.145 Nc1ccc(cc1)SC(C=O)C=O 62a_100000736813_100000185761 [0,1,0,0,0,1|1,0,1]=4 536 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Br 2230a_100000210018_100000736813 [0,1,0,0,0,1|1,0,1]=4 537 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Br 34a_100000210018_100000736813 [0,1,0,0,0,1|1,0,1]=4 538 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Cl 2230a_100000210052_100000736813 [0,1,0,0,0,1|1,0,1]=4 539 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Cl 34a_100000210052_100000736813 [0,1,0,0,0,1|1,0,1]=4 540 B13R1.145 O=CC(C=O)Nc1ccc(cc1)F 34a_100000185862_100000736813 [0,1,0,0,0,1|1,0,1]=4 541 B13R1.145 O=CC(C=O)Nc1ccc(cc1)I 34a_100000185761_100000736813 [0,1,0,0,0,1|1,0,1]=4 542 B13R1.145 O=CC(C=O)Nc1ccc(cc1)O 34a_100000185829_100000736813 [0,1,0,0,0,1|1,0,1]=4 543 B13R1.145 O=CC(C=O)Oc1ccc(cc1)Br 34a_100000185759_100000736813 [0,1,0,0,0,1|1,0,1]=4 544 B13R1.145 O=CC(C=O)Oc1ccc(cc1)Cl 34a_100000210216_100000736813 [0,1,0,0,0,1|1,0,1]=4 545 B13R1.145 O=CC(C=O)Oc1ccc(cc1)F 34a_100000210339_100000736813 [0,1,0,0,0,1|1,0,1]=4 546 B13R1.145 O=CC(C=O)Oc1ccc(cc1)I 34a_100000212066_100000736813 [0,1,0,0,0,1|1,0,1]=4 547 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Br 62a_100000736813_100000752885 [0,1,0,0,0,1|1,0,1]=4 548 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Br 62a_100000752885_100000736813 [0,1,0,0,0,1|1,0,1]=4 549 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Cl 62a_100000736813_100000755918 [0,1,0,0,0,1|1,0,1]=4 550 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Cl 62a_100000755918_100000736813 [0,1,0,0,0,1|1,0,1]=4 551 B13R1.145 O=CC(C=O)Sc1ccc(cc1)F 62a_100000211213_100000736813 [0,1,0,0,0,1|1,0,1]=4 552 B13R1.145 O=CC(C=O)Sc1ccc(cc1)F 62a_100000736813_100000211213 [0,1,0,0,0,1|1,0,1]=4 553 B13R1.145 O=CC(C=O)Sc1ccc(cc1)O 62a_100000736813_100000185759 [0,1,0,0,0,1|1,0,1]=4 554 B13R1.146 Cc1cccc(c1)NC(C=O)C=O 2230a_100000188690_100000736813 [0,1,0,0,0,1|1,0,1]=4 555 B13R1.146 Cc1cccc(c1)NC(C=O)C=O 34a_100000188690_100000736813 [0,1,0,0,0,1|1,0,1]=4 556 B13R1.146 Cc1cccc(c1)OC(C=O)C=O 34a_100000210337_100000736813 [0,1,0,0,0,1|1,0,1]=4 557 B13R1.146 Cc1cccc(c1)SC(C=O)C=O 62a_100000736813_100011215228 [0,1,0,0,0,1|1,0,1]=4 558 B13R1.146 Cc1cccc(c1)SC(C=O)C=O 62a_100011215228_100000736813 [0,1,0,0,0,1|1,0,1]=4 559 B13R1.146 Nc1cccc(c1)OC(C=O)C=O 34a_100000210217_100000736813 [0,1,0,0,0,1|1,0,1]=4 560 B13R1.146 Nc1cccc(c1)SC(C=O)C=O 62a_100000210019_100000736813 [0,1,0,0,0,1|1,0,1]=4 561 B13R1.146 Nc1cccc(c1)SC(C=O)C=O 62a_100000736813_100000210019 [0,1,0,0,0,1|1,0,1]=4 562 B13R1.146 O=CC(C=O)Nc1cccc(c1)Br 34a_100000210019_100000736813 [0,1,0,0,0,1|1,0,1]=4 563 B13R1.146 O=CC(C=O)Nc1cccc(c1)Cl 34a_100000185859_100000736813 [0,1,0,0,0,1|1,0,1]=4 564 B13R1.146 O=CC(C=O)Nc1cccc(c1)F 34a_100000210047_100000736813 [0,1,0,0,0,1|1,0,1]=4 565 B13R1.146 O=CC(C=O)Nc1cccc(c1)I 34a_100000211102_100000736813 [0,1,0,0,0,1|1,0,1]=4 566 B13R1.146 O=CC(C=O)Nc1cccc(c1)O 34a_100000210217_100000736813 [0,1,0,0,0,1|1,0,1]=4 567 B13R1.146 O=CC(C=O)Oc1cccc(c1)Br 34a_100000210342_100000736813 [0,1,0,0,0,1|1,0,1]=4 568 B13R1.146 O=CC(C=O)Oc1cccc(c1)Cl 34a_100000210295_100000736813 [0,1,0,0,0,1|1,0,1]=4 569 B13R1.146 O=CC(C=O)Oc1cccc(c1)F 34a_100000210426_100000736813 [0,1,0,0,0,1|1,0,1]=4 570 B13R1.146 O=CC(C=O)Oc1cccc(c1)I 34a_100000211634_100000736813 [0,1,0,0,0,1|1,0,1]=4 571 B13R1.146 O=CC(C=O)Sc1cccc(c1)Br 62a_100000691529_100000736813 [0,1,0,0,0,1|1,0,1]=4 572 B13R1.146 O=CC(C=O)Sc1cccc(c1)Br 62a_100000736813_100000691529 [0,1,0,0,0,1|1,0,1]=4 573 B13R1.146 O=CC(C=O)Sc1cccc(c1)Cl 62a_100000699651_100000736813 [0,1,0,0,0,1|1,0,1]=4 574 B13R1.146 O=CC(C=O)Sc1cccc(c1)Cl 62a_100000736813_100000699651 [0,1,0,0,0,1|1,0,1]=4 575 B13R1.146 O=CC(C=O)Sc1cccc(c1)F 62a_100000685547_100000736813 [0,1,0,0,0,1|1,0,1]=4 576 B13R1.146 O=CC(C=O)Sc1cccc(c1)F 62a_100000736813_100000685547 [0,1,0,0,0,1|1,0,1]=4 577 B13R1.146 O=CC(C=O)Sc1cccc(c1)O 62a_100000736813_100000211634 [0,1,0,0,0,1|1,0,1]=4 578 B13R1.146 O=CC(C=O)Sc1cccc(c1)[S] 62a_100000736813_114929384022 [0,1,0,0,0,1|1,0,1]=4 579 B13R1.146 O=CC(C=O)Sc1cccc(c1)[S] 62a_114929384022_100000736813 [0,1,0,0,0,1|1,0,1]=4 580 B13R1.335 Cc1ccccc1NC(C=O)C=O 34a_100015192222_100000736813 [0,1,0,0,0,1|1,0,1]=4 581 B13R1.335 Cc1ccccc1OC(C=O)C=O 34a_100000210338_100000736813 [0,1,0,0,0,1|1,0,1]=4 582 B13R1.335 Cc1ccccc1SC(C=O)C=O 62a_100000210755_100000736813 [0,1,0,0,0,1|1,0,1]=4 583 B13R1.335 Cc1ccccc1SC(C=O)C=O 62a_100000736813_100000210755 [0,1,0,0,0,1|1,0,1]=4 584 B13R1.335 Nc1ccccc1OC(C=O)C=O 34a_100000185747_100000736813 [0,1,0,0,0,1|1,0,1]=4 585 B13R1.335 Nc1ccccc1SC(C=O)C=O 62a_100000210017_100000736813 [0,1,0,0,0,1|1,0,1]=4 586 B13R1.335 Nc1ccccc1SC(C=O)C=O 62a_100000736813_100000210017 [0,1,0,0,0,1|1,0,1]=4 587 B13R1.335 O=CC(C=O)Nc1ccccc1Br 34a_100000210017_100000736813 [0,1,0,0,0,1|1,0,1]=4 588 B13R1.335 O=CC(C=O)Nc1ccccc1Cl 34a_100000185783_100000736813 [0,1,0,0,0,1|1,0,1]=4 589 B13R1.335 O=CC(C=O)Nc1ccccc1F 34a_100000210422_100000736813 [0,1,0,0,0,1|1,0,1]=4 590 B13R1.335 O=CC(C=O)Nc1ccccc1I 34a_100000210053_100000736813 [0,1,0,0,0,1|1,0,1]=4 591 B13R1.335 O=CC(C=O)Nc1ccccc1O 34a_100000185747_100000736813 [0,1,0,0,0,1|1,0,1]=4 592 B13R1.335 O=CC(C=O)Oc1ccccc1Br 34a_100000181306_100000736813 [0,1,0,0,0,1|1,0,1]=4 593 B13R1.335 O=CC(C=O)Oc1ccccc1Cl 34a_100000210172_100000736813 [0,1,0,0,0,1|1,0,1]=4 594 B13R1.335 O=CC(C=O)Oc1ccccc1F 34a_100000210171_100000736813 [0,1,0,0,0,1|1,0,1]=4 595 B13R1.335 O=CC(C=O)Oc1ccccc1I 34a_100000739446_100000736813 [0,1,0,0,0,1|1,0,1]=4 596 B13R1.335 O=CC(C=O)Sc1ccccc1Br 62a_100000695589_100000736813 [0,1,0,0,0,1|1,0,1]=4 597 B13R1.335 O=CC(C=O)Sc1ccccc1Br 62a_100000736813_100000695589 [0,1,0,0,0,1|1,0,1]=4 598 B13R1.335 O=CC(C=O)Sc1ccccc1Cl 62a_100000736813_100000764095 [0,1,0,0,0,1|1,0,1]=4 599 B13R1.335 O=CC(C=O)Sc1ccccc1Cl 62a_100000764095_100000736813 [0,1,0,0,0,1|1,0,1]=4 600 B13R1.335 O=CC(C=O)Sc1ccccc1F 62a_100000736813_100011215700 [0,1,0,0,0,1|1,0,1]=4 601 B13R1.335 O=CC(C=O)Sc1ccccc1F 62a_100011215700_100000736813 [0,1,0,0,0,1|1,0,1]=4 602 B13R1.335 O=CC(C=O)Sc1ccccc1O 62a_100000736813_100000739446 [0,1,0,0,0,1|1,0,1]=4 603 B13R1.335 O=CC(C=O)Sc1ccccc1O 62a_100000739446_100000736813 [0,1,0,0,0,1|1,0,1]=4 604 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,1,0,0,0,1|1,0,1]=4 605 B13R1.418 CCC(Nc1ccccc1)C(=O)N 34a_100000106764_100000750255 [0,1,0,0,0,1|0,0,2]=4 606 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,1,0,0,0,1|0,0,2]=4 607 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,1,0,0,0,1|0,0,2]=4 608 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,1,0,0,0,1|0,0,2]=4 609 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,1,0,0,0,1|0,0,2]=4 610 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,1,0,0,0,1|0,0,2]=4 611 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000719477_100000750255 [0,1,0,0,0,1|0,0,2]=4 612 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000750255_100000041952 [0,1,0,0,0,1|0,0,2]=4 613 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,1,0,0,0,1|0,0,2]=4 614 B13R1.418 CCN(Cc1ccccc1)C(=O)C 11a_100000186914_100015343762 [0,1,0,0,0,1|1,0,1]=4 615 B13R1.418 CCN(Cc1ccccc1)C(=O)C 1626a_100000186914_100015343762 [0,1,0,0,0,1|1,0,1]=4 616 B13R1.418 CCN(Cc1ccccc1)C(=O)C 240690a_100000186914_100015343762 [0,1,0,0,0,1|1,0,1]=4 617 B13R1.418 CCN(Cc1ccccc1)C(=O)C 527a_100000186914_100103153847 [0,1,0,0,0,1|1,0,1]=4 618 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,1,0,0,0,1|1,0,1]=4 619 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,1,0,0,0,1|1,0,1]=4 620 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,1,0,0,0,1|1,0,1]=4 621 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,1,0,0,0,1|1,0,1]=4 622 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,1,0,0,0,1|1,0,1]=4 623 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 2230a_100000219632_200015260668 [0,2,0,0,0,0|1,0,1]=4 624 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 269982a_100000219632_200015260668 [0,2,0,0,0,0|1,0,1]=4 625 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 34a_100000219632_200009817547 [0,2,0,0,0,0|1,0,1]=4 626 B13R1.1 CCN(CC=O)c1ccc(cc1)C 2230a_100000219985_200015260668 [0,2,0,0,0,0|1,0,1]=4 627 B13R1.1 CCN(CC=O)c1ccc(cc1)C 269982a_100000219985_200015260668 [0,2,0,0,0,0|1,0,1]=4 628 B13R1.1 CCN(CC=O)c1ccc(cc1)C 34a_100000219985_200009817547 [0,2,0,0,0,0|1,0,1]=4 629 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 2230a_100000220165_200015260668 [0,2,0,0,0,0|1,0,1]=4 630 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 269982a_100000220165_200015260668 [0,2,0,0,0,0|1,0,1]=4 631 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 34a_100000220165_200009817547 [0,2,0,0,0,0|1,0,1]=4 632 B13R1.1 CCN(CC=O)c1ccc(cc1)F 2230a_100102640331_200015260668 [0,2,0,0,0,0|1,0,1]=4 633 B13R1.1 CCN(CC=O)c1ccc(cc1)F 269982a_100102640331_200015260668 [0,2,0,0,0,0|1,0,1]=4 634 B13R1.1 CCN(CC=O)c1ccc(cc1)F 34a_100102640331_200009817547 [0,2,0,0,0,0|1,0,1]=4 635 B13R1.1 CCN(CC=O)c1ccc(cc1)O 2230a_100011337800_200015260668 [0,2,0,0,0,0|1,0,1]=4 636 B13R1.1 CCN(CC=O)c1ccc(cc1)O 269982a_100011337800_200015260668 [0,2,0,0,0,0|1,0,1]=4 637 B13R1.1 CCN(CC=O)c1ccc(cc1)O 34a_100011337800_200009817547 [0,2,0,0,0,0|1,0,1]=4 638 B13R1.2 CCN(CC=O)c1cccc(c1)Br 2230a_100000738899_200015260668 [0,2,0,0,0,0|1,0,1]=4 639 B13R1.2 CCN(CC=O)c1cccc(c1)Br 269982a_100000738899_200015260668 [0,2,0,0,0,0|1,0,1]=4 640 B13R1.2 CCN(CC=O)c1cccc(c1)Br 34a_100000738899_200009817547 [0,2,0,0,0,0|1,0,1]=4 641 B13R1.2 CCN(CC=O)c1cccc(c1)C 2230a_100000182157_200015260668 [0,2,0,0,0,0|1,0,1]=4 642 B13R1.2 CCN(CC=O)c1cccc(c1)C 269982a_100000182157_200015260668 [0,2,0,0,0,0|1,0,1]=4 643 B13R1.2 CCN(CC=O)c1cccc(c1)C 34a_100000182157_200009817547 [0,2,0,0,0,0|1,0,1]=4 644 B13R1.2 CCN(CC=O)c1cccc(c1)C 7a_100000182157_200015260668 [0,2,0,0,0,0|1,0,1]=4 645 B13R1.2 CCN(CC=O)c1cccc(c1)O 2230a_100000717746_200015260668 [0,2,0,0,0,0|1,0,1]=4 646 B13R1.2 CCN(CC=O)c1cccc(c1)O 269982a_100000717746_200015260668 [0,2,0,0,0,0|1,0,1]=4 647 B13R1.2 CCN(CC=O)c1cccc(c1)O 34a_100000717746_200009817547 [0,2,0,0,0,0|1,0,1]=4 648 B13R1.26 C=CC(=NNCC)c1ccccc1 4a_100000756455_200000750708 [0,2,0,0,0,0|1,0,1]=4 649 B13R1.26 C=CC(OCC=O)c1ccccc1 34a_100011215659_200009817547 [0,2,0,0,0,0|0,0,2]=4 650 B13R1.26 C=CC(OCC=O)c1ccccc1 7a_100011215659_200015260668 [0,2,0,0,0,0|0,0,2]=4 651 B13R1.26 C=CC(SCC=O)c1ccccc1 62a_200000085779_200015260668 [0,2,0,0,0,0|0,0,2]=4 652 B13R1.26 C=CC(SCC=O)c1ccccc1 62a_200015260668_200000085779 [0,2,0,0,0,0|0,0,2]=4 653 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [0,2,0,0,0,0|0,0,2]=4 654 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [0,2,0,0,0,0|0,0,2]=4 655 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [0,2,0,0,0,0|0,0,2]=4 656 B13R1.173 CCN(CC=O)c1ccccc1Br 2230a_114873767003_200015260668 [0,2,0,0,0,0|1,0,1]=4 657 B13R1.173 CCN(CC=O)c1ccccc1Br 269982a_114873767003_200015260668 [0,2,0,0,0,0|1,0,1]=4 658 B13R1.173 CCN(CC=O)c1ccccc1Br 34a_114873767003_200009817547 [0,2,0,0,0,0|1,0,1]=4 659 B13R1.173 CCN(CC=O)c1ccccc1C 2230a_100000211084_200015260668 [0,2,0,0,0,0|1,0,1]=4 660 B13R1.173 CCN(CC=O)c1ccccc1C 269982a_100000211084_200015260668 [0,2,0,0,0,0|1,0,1]=4 661 B13R1.173 CCN(CC=O)c1ccccc1C 34a_100000211084_200009817547 [0,2,0,0,0,0|1,0,1]=4 662 B13R1.173 CCN(CC=O)c1ccccc1F 2230a_100000220365_200015260668 [0,2,0,0,0,0|1,0,1]=4 663 B13R1.173 CCN(CC=O)c1ccccc1F 269982a_100000220365_200015260668 [0,2,0,0,0,0|1,0,1]=4 664 B13R1.173 CCN(CC=O)c1ccccc1F 34a_100000220365_200009817547 [0,2,0,0,0,0|1,0,1]=4 665 B13R1.173 CCN(CC=O)c1ccccc1O 269982a_103624766699_200015260668 [0,2,0,0,0,0|1,0,1]=4 666 B13R1.398 C=CCN(CC=O)c1ccccc1 2230a_100000211662_200015260668 [0,2,0,0,0,0|1,0,1]=4 667 B13R1.398 C=CCN(CC=O)c1ccccc1 269982a_100000211662_200015260668 [0,2,0,0,0,0|1,0,1]=4 668 B13R1.398 C=CCN(CC=O)c1ccccc1 34a_100000211662_200009817547 [0,2,0,0,0,0|1,0,1]=4 669 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [0,2,0,0,0,0|1,0,1]=4 670 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [0,2,0,0,0,0|1,0,1]=4 671 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [0,2,0,0,0,0|1,0,1]=4 672 B13R1.398 O=CCN(CCO)c1ccccc1 2230a_100000211345_200015260668 [0,2,0,0,0,0|1,0,1]=4 673 B13R1.398 O=CCN(CCO)c1ccccc1 269982a_100000211345_200015260668 [0,2,0,0,0,0|1,0,1]=4 674 B13R1.398 O=CCN(CCO)c1ccccc1 34a_100000211345_200009817547 [0,2,0,0,0,0|1,0,1]=4 675 B13R1.405 C=CCN(C(=O)C)c1ccccc1 11a_100000211662_100015343762 [0,2,0,0,0,0|1,0,1]=4 676 B13R1.405 C=CCN(C(=O)C)c1ccccc1 1626a_100000211662_100015343762 [0,2,0,0,0,0|1,0,1]=4 677 B13R1.405 C=CCN(C(=O)C)c1ccccc1 22a_100000211662_100000070787 [0,2,0,0,0,0|1,0,1]=4 678 B13R1.405 CC(=O)C(CCCl)c1ccccc1 1458a_100000070787_200010132975 [0,2,0,0,0,0|0,0,2]=4 679 B13R1.405 CC(=O)C(SCF)c1ccccc1 62a_100009888967_100015361967 [0,2,0,0,0,0|1,0,1]=4 680 B13R1.405 CC(=O)C(SCF)c1ccccc1 62a_100015361967_100009888967 [0,2,0,0,0,0|1,0,1]=4 681 B13R1.405 CC(=O)N(CCO)c1ccccc1 22a_100000211345_100000070787 [0,2,0,0,0,0|1,0,1]=4 682 B13R1.405 CC(C)N(CC=O)c1ccccc1 2230a_100000210572_200015260668 [0,2,0,0,0,0|1,0,1]=4 683 B13R1.405 CC(C)N(CC=O)c1ccccc1 269982a_100000210572_200015260668 [0,2,0,0,0,0|1,0,1]=4 684 B13R1.405 CC(C)N(CC=O)c1ccccc1 34a_100000210572_200009817547 [0,2,0,0,0,0|1,0,1]=4 685 B13R1.405 CC(C)N(CC=O)c1ccccc1 7a_100000210572_200015260668 [0,2,0,0,0,0|1,0,1]=4 686 B13R1.405 CCCN(C(=O)C)c1ccccc1 11a_200011218496_100015343762 [0,2,0,0,0,0|1,0,1]=4 687 B13R1.405 CCCN(C(=O)C)c1ccccc1 1626a_200011218496_100015343762 [0,2,0,0,0,0|1,0,1]=4 688 B13R1.405 CCCN(C(=O)C)c1ccccc1 22a_200011218496_100000070787 [0,2,0,0,0,0|1,0,1]=4 689 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [0,2,0,0,0,0|0,0,2]=4 690 B13R1.405 CCNC(C(=O)N)c1ccccc1 2230a_100015525214_100000188848 [0,2,0,0,0,0|0,0,2]=4 691 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [0,2,0,0,0,0|0,0,2]=4 692 B13R1.405 CCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210202 [0,2,0,0,0,0|0,0,2]=4 693 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [0,2,0,0,0,0|0,0,2]=4 694 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [0,2,0,0,0,0|0,0,2]=4 695 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100000210202_100009888967 [0,2,0,0,0,0|0,0,2]=4 696 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210202 [0,2,0,0,0,0|0,0,2]=4 697 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210202 [0,2,0,0,0,0|0,0,2]=4 698 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000210202_100000188848 [0,2,0,0,0,0|0,0,2]=4 699 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [0,2,0,0,0,0|0,0,2]=4 700 B13R1.405 NC(=O)C(OCF)c1ccccc1 34a_100011200849_100015361967 [0,2,0,0,0,0|1,0,1]=4 701 B13R1.405 NC(=O)C(OCF)c1ccccc1 7a_100011200849_100015361967 [0,2,0,0,0,0|1,0,1]=4 702 B13R1.405 NC(=O)C(SCF)c1ccccc1 62a_100000188848_100015361967 [0,2,0,0,0,0|1,0,1]=4 703 B13R1.405 NC(=O)C(SCF)c1ccccc1 62a_100015361967_100000188848 [0,2,0,0,0,0|1,0,1]=4 704 B13R1.405 O=C(O)C(NCF)c1ccccc1 269956a_100000230147_100015361967 [0,2,0,0,0,0|1,0,1]=4 705 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [0,2,0,0,0,0|0,0,2]=4 706 B13R1.532 C=CC(=O)N(CC)c1ccccc1 1626a_100000210013_100000185746 [0,2,0,0,0,0|1,0,1]=4 707 B13R1.532 C=CC(=O)N(CC)c1ccccc1 22a_100000210013_100000185746 [0,2,0,0,0,0|1,0,1]=4 708 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,2,0,0,0,0|0,0,2]=4 709 B13R1.532 CCC(=O)N(CC)c1ccccc1 11a_100000210013_100000210414 [0,2,0,0,0,0|1,0,1]=4 710 B13R1.532 CCC(=O)N(CC)c1ccccc1 1626a_100000210013_100000210414 [0,2,0,0,0,0|1,0,1]=4 711 B13R1.532 CCC(=O)N(CC)c1ccccc1 22a_100000210013_100000210414 [0,2,0,0,0,0|1,0,1]=4 712 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,2,0,0,0,0|1,0,1]=4 713 B13R1.532 CCC(C(=O)CF)c1ccccc1 1458a_100000211302_100015361967 [0,2,0,0,0,0|0,0,2]=4 714 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,2,0,0,0,0|0,0,2]=4 715 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,2,0,0,0,0|0,0,2]=4 716 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,2,0,0,0,0|0,0,2]=4 717 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,2,0,0,0,0|0,0,2]=4 718 B13R1.532 CCN(C(=O)CO)c1ccccc1 22a_100000210013_100000210174 [0,2,0,0,0,0|1,0,1]=4 719 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [0,2,0,0,0,0|1,0,1]=4 720 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [0,2,0,0,0,0|1,0,1]=4 721 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [0,2,0,0,0,0|1,0,1]=4 722 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [0,2,0,0,0,0|1,0,1]=4 723 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,2,0,0,0,0|1,0,1]=4 724 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,2,0,0,0,0|1,0,1]=4 725 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,2,0,0,0,0|1,0,1]=4 726 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 727 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 728 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 729 B13R1.532 CNC(C(=O)OC)c1ccccc1 2230a_106832991635_100000754950 [0,2,0,0,0,0|1,0,1]=4 730 B13R1.532 CNC(C(=O)OC)c1ccccc1 34a_100102657272_100000185205 [0,2,0,0,0,0|1,0,1]=4 731 B13R1.532 CNC(C(=O)OC)c1ccccc1 7a_106832991635_100000754950 [0,2,0,0,0,0|1,0,1]=4 732 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,2,0,0,0,0|1,0,1]=4 733 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_100000754950_200000210301 [0,2,0,0,0,0|1,0,1]=4 734 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_200000210301_100000754950 [0,2,0,0,0,0|1,0,1]=4 735 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_100000754950_200025704644 [0,2,0,0,0,0|1,0,1]=4 736 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000754950 [0,2,0,0,0,0|1,0,1]=4 737 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,2,0,0,0,0|1,0,1]=4 738 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,2,0,0,0,0|1,0,1]=4 739 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [0,2,0,0,0,0|1,0,1]=4 740 B13R1.532 CO[C@@H](C(=O)CF)c1ccccc1 1458a_100000698336_100015361967 [0,2,0,0,0,0|1,0,1]=4 741 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [0,2,0,0,0,0|1,0,1]=4 742 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [0,2,0,0,0,0|0,0,2]=4 743 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [0,2,0,0,0,0|0,0,2]=4 744 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [0,2,0,0,0,0|0,0,2]=4 745 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [0,2,0,0,0,0|0,0,2]=4 746 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000210013_100000747473 [0,2,0,0,0,0|1,0,1]=4 747 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210202 [0,2,0,0,0,0|1,0,1]=4 748 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000210013_100000187820 [0,2,0,0,0,0|1,0,1]=4 749 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000204670 [0,2,0,0,0,0|1,0,1]=4 750 B13R1.713 CCN(CC(=O)N)c1ccccc1 34a_100000210013_100000187820 [0,2,0,0,0,0|1,0,1]=4 751 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,2,0,0,0,0|1,0,1]=4 752 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 269982a_100000210013_100020667443 [0,2,0,0,0,0|1,0,1]=4 753 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 34a_100000210013_100020667443 [0,2,0,0,0,0|1,0,1]=4 754 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,2,0,0,0,0|1,0,1]=4 756 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,2,0,0,0,0|0,0,2]=4 757 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,2,0,0,0,0|0,0,2]=4 758 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Br 11a_100000219632_100015343762 [0,2,0,0,0,0|1,0,1]=4 759 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Br 1626a_100000219632_100015343762 [0,2,0,0,0,0|1,0,1]=4 760 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Br 22a_100000219632_100000070787 [0,2,0,0,0,0|1,0,1]=4 761 B13R1.706 CCN(C(=O)C)c1ccc(cc1)C 11a_100000219985_100015343762 [0,2,0,0,0,0|1,0,1]=4 762 B13R1.706 CCN(C(=O)C)c1ccc(cc1)C 1626a_100000219985_100015343762 [0,2,0,0,0,0|1,0,1]=4 763 B13R1.706 CCN(C(=O)C)c1ccc(cc1)C 22a_100000219985_100000070787 [0,2,0,0,0,0|1,0,1]=4 764 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 11a_100000220165_100015343762 [0,2,0,0,0,0|1,0,1]=4 765 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 1626a_100000220165_100015343762 [0,2,0,0,0,0|1,0,1]=4 766 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 22a_100000220165_100000070787 [0,2,0,0,0,0|1,0,1]=4 767 B13R1.706 CCN(C(=O)C)c1ccc(cc1)F 11a_100102640331_100015343762 [0,2,0,0,0,0|1,0,1]=4 768 B13R1.706 CCN(C(=O)C)c1ccc(cc1)F 1626a_100102640331_100015343762 [0,2,0,0,0,0|1,0,1]=4 769 B13R1.706 CCN(C(=O)C)c1ccc(cc1)F 22a_100102640331_100000070787 [0,2,0,0,0,0|1,0,1]=4 770 B13R1.706 CCN(C(=O)C)c1ccc(cc1)O 22a_100011337800_100000070787 [0,2,0,0,0,0|1,0,1]=4 771 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,2,0,0,0,0|1,0,1]=4 772 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,2,0,0,0,0|1,0,1]=4 773 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,2,0,0,0,0|1,0,1]=4 774 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,2,0,0,0,0|1,0,1]=4 775 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,2,0,0,0,0|1,0,1]=4 776 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,2,0,0,0,0|1,0,1]=4 777 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,2,0,0,0,0|1,0,1]=4 778 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,2,0,0,0,0|1,0,1]=4 779 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,2,0,0,0,0|1,0,1]=4 780 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,2,0,0,0,0|1,0,1]=4 781 B13R1.716 CCN(C(=O)C)c1cccc(c1)Br 11a_100000738899_100015343762 [0,2,0,0,0,0|1,0,1]=4 782 B13R1.716 CCN(C(=O)C)c1cccc(c1)Br 1626a_100000738899_100015343762 [0,2,0,0,0,0|1,0,1]=4 783 B13R1.716 CCN(C(=O)C)c1cccc(c1)Br 22a_100000738899_100000070787 [0,2,0,0,0,0|1,0,1]=4 784 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 11a_100000182157_100015343762 [0,2,0,0,0,0|1,0,1]=4 785 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 1626a_100000182157_100015343762 [0,2,0,0,0,0|1,0,1]=4 786 B13R1.716 CCN(C(=O)C)c1cccc(c1)C 22a_100000182157_100000070787 [0,2,0,0,0,0|1,0,1]=4 787 B13R1.716 CCN(C(=O)C)c1cccc(c1)O 1626a_100000717746_100015343762 [0,2,0,0,0,0|1,0,1]=4 788 B13R1.716 CNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200000210301 [0,2,0,0,0,0|1,0,1]=4 789 B13R1.716 CNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_200000210301 [0,2,0,0,0,0|1,0,1]=4 790 B13R1.716 CNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200000210301 [0,2,0,0,0,0|1,0,1]=4 791 B13R1.716 CNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200000210301 [0,2,0,0,0,0|1,0,1]=4 792 B13R1.716 COC(C(=O)C)c1cccc(c1)Cl 1458a_100012350482_200000210301 [0,2,0,0,0,0|1,0,1]=4 793 B13R1.716 COC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100012350482_200025704644 [0,2,0,0,0,0|1,0,1]=4 794 B13R1.716 Cc1cccc(c1)C(N[13CH3])C(=O)O 269956a_100015207286_200025704644 [0,2,0,0,0,0|1,0,1]=4 795 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200025704644 [0,2,0,0,0,0|1,0,1]=4 796 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200025704644 [0,2,0,0,0,0|1,0,1]=4 797 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200025704644 [0,2,0,0,0,0|1,0,1]=4 798 B13R1.720 CCC(C(=O)C)c1ccccc1Cl 1458a_100011667493_200000210301 [0,2,0,0,0,0|0,0,2]=4 799 B13R1.720 CCC(C(=O)[13CH3])c1ccccc1Cl 1458a_100011667493_200025704644 [0,2,0,0,0,0|0,0,2]=4 800 B13R1.720 CCN(C(=O)C)c1ccccc1Br 11a_114873767003_100015343762 [0,2,0,0,0,0|1,0,1]=4 801 B13R1.720 CCN(C(=O)C)c1ccccc1Br 1626a_114873767003_100015343762 [0,2,0,0,0,0|1,0,1]=4 802 B13R1.720 CCN(C(=O)C)c1ccccc1C 11a_100000211084_100015343762 [0,2,0,0,0,0|1,0,1]=4 803 B13R1.720 CCN(C(=O)C)c1ccccc1C 1626a_100000211084_100015343762 [0,2,0,0,0,0|1,0,1]=4 804 B13R1.720 CCN(C(=O)C)c1ccccc1C 22a_100000211084_100000070787 [0,2,0,0,0,0|1,0,1]=4 805 B13R1.720 CCN(C(=O)C)c1ccccc1F 11a_100000220365_100015343762 [0,2,0,0,0,0|1,0,1]=4 806 B13R1.720 CCN(C(=O)C)c1ccccc1F 1626a_100000220365_100015343762 [0,2,0,0,0,0|1,0,1]=4 807 B13R1.720 CCN(C(=O)C)c1ccccc1O 22a_103624766699_100000070787 [0,2,0,0,0,0|1,0,1]=4 808 B13R1.720 CNC(C(=O)O)c1ccccc1Br 269956a_100000744630_200000210301 [0,2,0,0,0,0|1,0,1]=4 809 B13R1.720 CNC(C(=O)O)c1ccccc1C 269956a_100011223803_200000210301 [0,2,0,0,0,0|1,0,1]=4 810 B13R1.720 CNC(C(=O)O)c1ccccc1F 269956a_100138411467_200000210301 [0,2,0,0,0,0|1,0,1]=4 811 B13R1.720 CN[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200000210301 [0,2,0,0,0,0|1,0,1]=4 812 B13R1.720 COC(C(=O)C)c1ccccc1C 1458a_100012277922_200000210301 [0,2,0,0,0,0|1,0,1]=4 813 B13R1.720 COC(C(=O)C)c1ccccc1F 1458a_100012277919_200000210301 [0,2,0,0,0,0|1,0,1]=4 814 B13R1.720 COC(C(=O)[13CH3])c1ccccc1C 1458a_100012277922_200025704644 [0,2,0,0,0,0|1,0,1]=4 815 B13R1.720 COC(C(=O)[13CH3])c1ccccc1F 1458a_100012277919_200025704644 [0,2,0,0,0,0|1,0,1]=4 816 B13R1.720 Cc1ccccc1C(N[13CH3])C(=O)O 269956a_100011223803_200025704644 [0,2,0,0,0,0|1,0,1]=4 817 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1Br 269956a_100000744630_200025704644 [0,2,0,0,0,0|1,0,1]=4 818 B13R1.720 [13CH3]NC(C(=O)O)c1ccccc1F 269956a_100138411467_200025704644 [0,2,0,0,0,0|1,0,1]=4 819 B13R1.720 [13CH3]N[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_200025704644 [0,2,0,0,0,0|1,0,1]=4 820 B13R1.3085 CCC(O)(C(=O)C)c1ccccc1 1458a_100011434905_200000210301 [0,2,0,0,0,0|0,0,2]=4 821 B13R1.3085 CCC(O)(C(=O)[13CH3])c1ccccc1 1458a_100011434905_200025704644 [0,2,0,0,0,0|0,0,2]=4 822 B13R1.1111 CC(=O)C(C(=O)C)c1ccccc1 1458a_100000070787_100009888967 [0,2,0,0,0,0|0,0,1]=3 823 B13R1.1111 CC(=O)C(C(=O)N)c1ccccc1 1458a_100000070787_100000188848 [0,2,0,0,0,0|0,0,1]=3 824 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,2,0,0,0,0|0,0,2]=4 825 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_200000210301 [0,2,0,0,0,0|1,0,1]=4 826 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100009888967 [0,2,0,0,0,0|1,0,1]=4 827 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100009888967 [0,2,0,0,0,0|1,0,1]=4 828 B13R1.1111 CC(=O)N(c1ccccc1)C(C)C 11a_100000210572_100015343762 [0,2,0,0,0,0|1,0,1]=4 829 B13R1.1111 CC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100015343762 [0,2,0,0,0,0|1,0,1]=4 830 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,2,0,0,0,0|0,0,2]=4 831 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 2230a_100102631434_100000188848 [0,2,0,0,0,0|1,0,1]=4 832 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 269982a_100102631434_100000188848 [0,2,0,0,0,0|1,0,1]=4 833 B13R1.1111 CN(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000743987_200025704644 [0,2,0,0,0,0|1,0,1]=4 834 B11R1.37 C=Cc1cc(ccc1C=O)Br 271570a_100011290941_100010146562 [0,0,1,1,0,0|1,0,1]=4 835 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [0,0,1,1,0,0|0,0,2]=4 836 B11R1.37 C=Cc1cc(ccc1C=O)F 271570a_100011290941_100000752949 [0,0,1,1,0,0|1,0,1]=4 837 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [0,0,1,1,0,0|1,0,1]=4 838 B11R1.37 C=Cc1cc(ncc1C=O)F 271570a_100011290941_100009862493 [0,0,1,1,0,0|2,0,0]=4 839 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [0,0,1,1,0,0|0,0,2]=4 840 B11R1.41 C=C=Cc1ccncc1C=O 271570a_100015277604_100000050567 [0,0,1,1,0,0|1,0,1]=4 841 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [0,0,1,1,0,0|0,0,2]=4 842 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [0,0,1,1,0,0|1,0,1]=4 843 B11R1.265 C=Cc1cccc(c1C#N)C 271570a_100011290941_100009819585 [0,0,1,1,0,0|1,0,1]=4 844 B11R1.265 C=Cc1cccc(c1C=O)C 271570a_100011290941_100000041122 [0,0,1,1,0,0|0,0,0]=2 845 B11R1.265 C=Cc1cccc(c1C=O)Cl 271570a_100011290941_100010147682 [0,0,1,1,0,0|1,0,0]=3 846 B11R1.265 C=Cc1cccc(c1C=O)F 271570a_100011290941_100000210083 [0,0,1,1,0,0|1,0,0]=3 847 B11R1.265 C=Cc1cccc(c1C=O)N 271570a_100011290941_100010232536 [0,0,1,1,0,0|1,0,0]=3 848 B11R1.265 C=Cc1cccc(c1C=O)O 271570a_100011290941_100009814793 [0,0,1,1,0,0|1,0,0]=3 849 B11R1.265 C=Cc1cccc(c1NC)N 271570a_100011290941_100010510394 [0,0,1,1,0,0|2,0,0]=4 850 B11R1.265 C=Cc1cccc(c1OC)Br 271570a_100011290941_100010146560 [0,0,1,1,0,0|2,0,0]=4 851 B11R1.265 C=Cc1cccc(c1OC)C 271570a_100011290941_100010141385 [0,0,1,1,0,0|2,0,0]=4 852 B11R1.265 C=Cc1cccc(c1OC)Cl 271570a_100011290941_100010147678 [0,0,1,1,0,0|2,0,0]=4 853 B11R1.265 C=Cc1cccc(c1OC)F 271570a_100011290941_100009816759 [0,0,1,1,0,0|2,0,0]=4 854 B11R1.265 C=Cc1cccc(c1OC)N 271570a_100011290941_100011935253 [0,0,1,1,0,0|2,0,0]=4 855 B11R1.265 C=Cc1cccc(c1OC)O 271570a_100011290941_100010234590 [0,0,1,1,0,0|1,0,1]=4 856 B11R1.265 C=Cc1cccc(c1SC)F 271570a_100011290941_200010709249 [0,0,1,1,0,0|2,0,0]=4 857 B11R1.265 C=Cc1ccnc(c1C=O)Cl 271570a_100011290941_100000047006 [0,0,1,1,0,0|2,0,0]=4 858 B11R1.265 C=Cc1ccnc(c1C=O)F 271570a_100011290941_100009828249 [0,0,1,1,0,0|2,0,0]=4 859 B11R1.265 C=Cc1ccnc(c1C=O)N 271570a_100011290941_100009843235 [0,0,1,1,0,0|2,0,0]=4 860 B11R1.265 C=Cc1cncc(c1C=O)F 271570a_100011290941_100010064882 [0,0,1,1,0,0|2,0,0]=4 861 B11R1.265 C=Cc1nccc(c1C=O)O 271570a_100011290941_200010729673 [0,0,1,1,0,0|2,0,0]=4 862 B11R1.265 CSc1cccc(c1C=O)C 62a_100000041122_200000210301 [0,0,1,1,0,0|1,0,1]=4 863 B11R1.265 CSc1cccc(c1C=O)C 62a_200000210301_100000041122 [0,0,1,1,0,0|1,0,1]=4 864 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_100000041122_200025704644 [0,0,1,1,0,0|1,0,1]=4 865 B11R1.265 Cc1cccc(c1C=O)S[13CH3] 62a_200025704644_100000041122 [0,0,1,1,0,0|1,0,1]=4 866 B11R1.279 C=Cc1cc(c(cn1)C=O)C 271570a_100011290941_100000085382 [0,0,1,1,0,0|1,0,1]=4 867 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [0,0,1,1,0,0|1,0,1]=4 868 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [0,0,1,1,0,0|0,0,2]=4 869 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [0,0,1,1,0,0|1,0,1]=4 870 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [0,0,1,1,0,0|1,0,1]=4 871 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [0,0,1,1,0,0|1,0,1]=4 872 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [0,0,1,1,0,0|1,0,1]=4 873 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [0,0,1,1,0,0|0,0,2]=4 874 B11R1.83 C=C=Cc1ccc(cn1)C=O 271570a_100015277604_100000766901 [0,0,1,1,0,0|1,0,1]=4 875 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [0,0,1,1,0,0|0,0,2]=4 876 B11R1.83 CC=Cc1ccc(cn1)C=O 271570a_100016259895_100000766901 [0,0,1,1,0,0|1,0,1]=4 877 B11R1.267 C=Cc1cccc(c1C)C#N 271570a_100011290941_100000721996 [0,0,1,1,0,0|1,0,1]=4 878 B11R1.267 C=Cc1cccc(c1C)C=O 271570a_100011290941_100012179384 [0,0,1,1,0,0|0,0,0]=2 879 B11R1.267 C=Cc1cccc(c1C)CN 271570a_100011290941_100000724210 [0,0,1,1,0,0|1,0,1]=4 880 B11R1.267 C=Cc1cccc(c1C)CO 271570a_100011290941_100000694458 [0,0,1,1,0,0|0,0,2]=4 881 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [0,0,1,1,0,0|2,0,0]=4 882 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [0,0,1,1,0,0|2,0,0]=4 883 B11R1.267 C=Cc1cccc(c1F)C=O 271570a_100011290941_100000766533 [0,0,1,1,0,0|1,0,0]=3 884 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [0,0,1,1,0,0|2,0,0]=4 885 B11R1.267 C=Cc1cccc(c1F)SC 62a_100010741937_200000210301 [0,0,1,1,0,0|2,0,0]=4 886 B11R1.267 C=Cc1cccc(c1F)SC 62a_200000210301_100010741937 [0,0,1,1,0,0|2,0,0]=4 887 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_100010741937_200025704644 [0,0,1,1,0,0|2,0,0]=4 888 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_200025704644_100010741937 [0,0,1,1,0,0|2,0,0]=4 889 B11R1.267 C=Cc1cccc(c1N)C=O 271570a_100011290941_100010144990 [0,0,1,1,0,0|1,0,0]=3 890 B11R1.267 C=Cc1cccc(c1N)NC 271570a_100011290941_100000695761 [0,0,1,1,0,0|2,0,0]=4 891 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [0,0,1,1,0,0|2,0,0]=4 892 B11R1.267 C=Cc1cccc(c1O)C=O 271570a_100011290941_100000737635 [0,0,1,1,0,0|1,0,0]=3 893 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [0,0,1,1,0,0|0,0,2]=4 894 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [0,0,1,1,0,0|1,0,1]=4 895 B11R1.267 C=Cc1ccnc(c1F)C=O 271570a_100011290941_100015713984 [0,0,1,1,0,0|2,0,0]=4 896 B11R1.267 C=Cc1cncc(c1C)C=O 271570a_100011290941_100010214934 [0,0,1,1,0,0|1,0,0]=3 897 B11R1.267 C=Cc1nccc(c1C)C=O 271570a_100011290941_100000096011 [0,0,1,1,0,0|1,0,0]=3 898 B11R1.267 C=Cc1nccc(c1F)C=O 271570a_100011290941_100010064874 [0,0,1,1,0,0|2,0,0]=4 899 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [0,0,1,1,0,0|1,0,1]=4 900 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [0,0,1,1,0,0|1,0,1]=4 901 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [0,0,1,1,0,0|1,0,1]=4 902 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [0,0,1,1,0,0|1,0,1]=4 903 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,1]=4 904 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|1,0,1]=4 905 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,1,0,1|0,0,2]=4 906 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,1,0,1|0,0,2]=4 907 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,1,0,1|0,0,2]=4 908 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,1,0,1|0,0,2]=4 909 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,1,0,1|0,0,2]=4 910 B13R2.45 C=Cc1nc2ccccc2n1C 271570a_100011290941_200000239431 [0,0,0,1,0,1|2,0,0]=4 911 B13R2.45 C=Cc1sc2ccccc2c1C 271570a_100011290941_200010198769 [0,0,0,1,0,1|1,0,0]=3 912 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,0,0,1,0,1|1,0,1]=4 913 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,0,0,1,0,1|1,0,1]=4 914 B13R2.45 CSc1sc2ccccc2c1Br 62a_100015504031_200000210301 [0,0,0,1,0,1|2,0,0]=4 915 B13R2.45 CSc1sc2ccccc2c1Br 62a_200000210301_100015504031 [0,0,0,1,0,1|2,0,0]=4 916 B13R2.45 CSc1sc2ccccc2c1C 62a_200000210301_200010198769 [0,0,0,1,0,1|2,0,0]=4 917 B13R2.45 Cc1c(sc2c1cccc2)S[13CH3] 62a_200025704644_200010198769 [0,0,0,1,0,1|2,0,0]=4 918 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,0,0,1,0,1|1,0,0]=3 919 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,0,0,1,0,1|1,0,1]=4 920 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,0,0,1,0,1|1,0,1]=4 921 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_100015504031_200025704644 [0,0,0,1,0,1|2,0,0]=4 922 B13R2.45 [13CH3]Sc1sc2ccccc2c1Br 62a_200025704644_100015504031 [0,0,0,1,0,1|2,0,0]=4 923 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,0,0,1,0,1|1,0,1]=4 924 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [0,0,0,1,0,1|1,0,1]=4 925 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [0,0,0,1,0,1|1,0,1]=4 926 B13R2.57 C=Cc1cnc2ccccc2n1 271570a_100011290941_100000756483 [0,0,0,1,0,1|1,0,1]=4 927 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [0,0,0,1,0,1|2,0,0]=4 928 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [0,0,0,1,0,1|2,0,0]=4 929 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [0,0,0,1,0,1|2,0,0]=4 930 B13R2.57 CNc1cnc2ccccc2n1 27a_100102657272_100000756483 [0,0,0,1,0,1|2,0,0]=4 931 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,0,0,1,0,1|2,0,0]=4 932 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,0,0,1,0,1|2,0,0]=4 933 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,0,0,1,0,1|2,0,0]=4 934 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,0,0,1,0,1|2,0,0]=4 935 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [0,0,0,1,0,1|2,0,0]=4 936 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [0,0,0,1,0,1|2,0,0]=4 937 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [0,0,0,1,0,1|2,0,0]=4 938 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [0,0,0,1,0,1|2,0,0]=4 939 B13R2.57 CSc1cnc2ccccc2n1 62a_100000756483_200000210301 [0,0,0,1,0,1|2,0,0]=4 940 B13R2.57 CSc1cnc2ccccc2n1 62a_200000210301_100000756483 [0,0,0,1,0,1|2,0,0]=4 941 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [0,0,0,1,0,1|2,0,0]=4 942 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [0,0,0,1,0,1|2,0,0]=4 943 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,0,0,1,0,1|2,0,0]=4 944 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,0,0,1,0,1|2,0,0]=4 945 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,0,0,1,0,1|2,0,0]=4 946 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,0,0,1,0,1|2,0,0]=4 947 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [0,0,0,1,0,1|2,0,0]=4 948 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [0,0,0,1,0,1|2,0,0]=4 949 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [0,0,0,1,0,1|2,0,0]=4 950 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [0,0,0,1,0,1|2,0,0]=4 951 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_100000756483_200025704644 [0,0,0,1,0,1|2,0,0]=4 952 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_200025704644_100000756483 [0,0,0,1,0,1|2,0,0]=4 953 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100000719477_100011215275 [0,0,0,1,0,1|0,0,2]=4 954 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100011215275_100000041952 [0,0,0,1,0,1|0,0,2]=4 955 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000719477_100000738268 [0,0,0,1,0,1|0,1,1]=4 956 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000738268_100000041952 [0,0,0,1,0,1|0,1,1]=4 957 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000238712_100000041952 [0,0,0,1,0,1|2,0,0]=4 958 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000719477_100000238712 [0,0,0,1,0,1|2,0,0]=4 959 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100000719477_100009815712 [0,0,0,1,0,1|1,0,1]=4 960 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100009815712_100000041952 [0,0,0,1,0,1|1,0,1]=4 961 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100000719477_100009815736 [0,0,0,1,0,1|1,1,0]=4 962 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100009815736_100000041952 [0,0,0,1,0,1|1,1,0]=4 963 B13R2.1 C=C=Cc1coc2c1cccc2 271570a_100015277604_100009812202 [0,1,0,1,0,0|0,0,2]=4 964 B13R2.1 C=C=Cc1csc2c1cccc2 271570a_100015277604_100009813928 [0,1,0,1,0,0|0,1,1]=4 965 B13R2.1 CC=Cc1c[nH]c2c1cccn2 271570a_100016259895_100011934613 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.1 CC=Cc1c[nH]c2c1ccnc2 271570a_100016259895_100010232032 [0,1,0,1,0,0|2,0,0]=4 967 B13R2.1 CC=Cc1c[nH]c2c1cncc2 271570a_100016259895_100011934843 [0,1,0,1,0,0|2,0,0]=4 968 B13R2.1 CC=Cc1c[nH]c2c1nccc2 271570a_100016259895_100009817151 [0,1,0,1,0,0|2,0,0]=4 969 B13R2.1 CC=Cc1cnc2n1cccc2 271570a_100016259895_100011219245 [0,1,0,1,0,0|2,0,0]=4 970 B13R2.1 CC=Cc1cnn2c1cccc2 271570a_100016259895_100009817726 [0,1,0,1,0,0|2,0,0]=4 971 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [0,1,0,1,0,0|0,0,1]=3 972 B13R2.1 CC=Cc1coc2c1nccc2 271570a_100016259895_100009889148 [0,1,0,1,0,0|1,0,1]=4 973 B13R2.1 CC=Cc1csc2c1cccc2 271570a_100016259895_100009813928 [0,1,0,1,0,0|0,1,0]=3 974 B13R2.1 CC=Cc1csc2c1cccn2 271570a_100016259895_100009830249 [0,1,0,1,0,0|1,1,0]=4 975 B13R2.1 CC=Cc1csc2c1ccnc2 271570a_100016259895_100009817111 [0,1,0,1,0,0|1,1,0]=4 976 B13R2.1 CC=Cc1csc2c1cncc2 271570a_100016259895_100010247091 [0,1,0,1,0,0|1,1,0]=4 977 B13R2.1 CC=Cc1csc2c1nccc2 271570a_100016259895_100010247092 [0,1,0,1,0,0|1,1,0]=4 978 B13R2.1 CC=Cc1n[nH]c2c1cccc2 271570a_100016259895_100000050141 [0,1,0,1,0,0|2,0,0]=4 979 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [0,1,0,1,0,0|0,1,1]=4 980 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [0,1,0,1,0,0|0,1,1]=4 981 B13R2.1 CCSc1coc2c1cccc2 62a_100000210202_100009812202 [0,1,0,1,0,0|0,0,2]=4 982 B13R2.1 CCSc1csc2c1cccc2 62a_100000210202_100009813928 [0,1,0,1,0,0|0,1,1]=4 983 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [0,1,0,1,0,0|0,0,2]=4 984 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [0,1,0,1,0,0|0,0,2]=4 985 B13R2.1 CNCc1csc2c1cccc2 207a_100102657272_100000239721 [0,1,0,1,0,0|0,1,1]=4 986 B13R2.1 CNCc1csc2c1cccc2 2230a_106832991635_200000742921 [0,1,0,1,0,0|0,1,1]=4 987 B13R2.1 CNCc1csc2c1cccc2 270004a_106832991635_100000239721 [0,1,0,1,0,0|0,1,1]=4 988 B13R2.1 CNCc1csc2c1cccc2 34a_100000744611_200000210301 [0,1,0,1,0,0|0,1,1]=4 989 B13R2.1 CNCc1csc2c1cccc2 34a_100102657272_200000742921 [0,1,0,1,0,0|0,1,1]=4 990 B13R2.1 COCc1csc2c1cccc2 34a_100011219454_200000210301 [0,1,0,1,0,0|0,1,1]=4 991 B13R2.1 COCc1csc2c1cccc2 34a_100138415774_200000742921 [0,1,0,1,0,0|0,1,1]=4 992 B13R2.1 CSCc1csc2c1cccc2 62a_200000210301_200000742921 [0,1,0,1,0,0|0,1,1]=4 993 B13R2.1 CSCc1csc2c1cccc2 62a_200000742921_200000210301 [0,1,0,1,0,0|0,1,1]=4 994 B13R2.1 FCOc1csc2c1cccc2 34a_100000077758_100015361967 [0,1,0,1,0,0|1,1,0]=4 995 B13R2.1 FCOc1csc2c1cccc2 7a_100000077758_100015361967 [0,1,0,1,0,0|1,1,0]=4 996 B13R2.1 FCSc1coc2c1cccc2 62a_100015361967_100009812202 [0,1,0,1,0,0|1,0,1]=4 997 B13R2.1 FCSc1csc2c1cccc2 62a_100015361967_100009813928 [0,1,0,1,0,0|1,1,0]=4 998 B13R2.1 [13CH3]NCc1csc2c1cccc2 34a_100000744611_200025704644 [0,1,0,1,0,0|0,1,1]=4 999 B13R2.1 [13CH3]OCc1csc2c1cccc2 34a_100011219454_200025704644 [0,1,0,1,0,0|0,1,1]=4 1000 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200000742921_200025704644 [0,1,0,1,0,0|0,1,1]=4 1001 B13R2.1 [13CH3]SCc1csc2c1cccc2 62a_200025704644_200000742921 [0,1,0,1,0,0|0,1,1]=4 1002 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,1,0,1,0,0|1,0,1]=4 1003 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,1,0,1,0,0|0,0,2]=4 1004 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,1,0,1,0,0|1,0,1]=4 1005 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,1,0,1,0,0|0,0,2]=4 1006 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,1,0,1,0,0|0,1,1]=4 1007 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,1,0,1,0,0|1,0,1]=4 1008 B13R2.3 c1ccc(cc1)c2ccccc2 271570a_100011218836_100000210277 [0,1,0,1,0,0|1,0,1]=4 1009 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011218836_100011216584 [0,1,0,1,0,0|1,0,1]=4 1010 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011264011_100000210277 [0,1,0,1,0,0|1,0,1]=4 1011 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100000757648_100000210277 [0,1,0,1,0,0|1,0,1]=4 1012 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100011218836_100000752921 [0,1,0,1,0,0|1,0,1]=4 1013 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100000752145_100000210277 [0,1,0,1,0,0|1,0,1]=4 1014 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100011218836_100000035832 [0,1,0,1,0,0|1,0,1]=4 1015 B13R2.3 c1ccc(cc1)c2ccncn2 271570a_100011218836_100000703185 [0,1,0,1,0,0|1,0,1]=4 1016 B13R2.3 c1ccc(cc1)c2ccnnc2 271570a_100011218836_100000732662 [0,1,0,1,0,0|1,0,1]=4 1017 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011218836_100000758340 [0,1,0,1,0,0|1,0,1]=4 1018 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011962566_100000210277 [0,1,0,1,0,0|1,0,1]=4 1019 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100000707473_100000210277 [0,1,0,1,0,0|1,0,1]=4 1020 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100011218836_100011206942 [0,1,0,1,0,0|1,0,1]=4 1021 B13R2.3 c1ccc(cc1)c2cnnnc2 271570a_100011218836_100009846058 [0,1,0,1,0,0|2,0,0]=4 1022 B13R2.10 Brc1ccc(s1)c2ccccc2 271570a_100011218836_100010197418 [0,1,0,1,0,0|1,0,1]=4 1023 B13R2.10 Cc1c[nH]c(n1)c2ccccc2 271570a_100011218836_100161115468 [0,1,0,1,0,0|2,0,0]=4 1024 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100000699828_100000210277 [0,1,0,1,0,0|0,1,0]=3 1025 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100011218836_100000759034 [0,1,0,1,0,0|0,1,0]=3 1026 B13R2.10 Cc1cc(cs1)c2ccccn2 271570a_100000699828_100011216584 [0,1,0,1,0,0|1,1,0]=4 1027 B13R2.10 Cc1cc(cs1)c2ccccn2 271570a_100011264011_100000759034 [0,1,0,1,0,0|1,1,0]=4 1028 B13R2.10 Cc1cc(cs1)c2cccnc2 271570a_100000699828_100000752921 [0,1,0,1,0,0|1,1,0]=4 1029 B13R2.10 Cc1cc(cs1)c2cccnc2 271570a_100000757648_100000759034 [0,1,0,1,0,0|1,1,0]=4 1030 B13R2.10 Cc1cc(cs1)c2ccncc2 271570a_100000699828_100000035832 [0,1,0,1,0,0|1,1,0]=4 1031 B13R2.10 Cc1cc(cs1)c2ccncc2 271570a_100000752145_100000759034 [0,1,0,1,0,0|1,1,0]=4 1032 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100009872134_100000210277 [0,1,0,1,0,0|2,0,0]=4 1033 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100015199547 [0,1,0,1,0,0|2,0,0]=4 1034 B13R2.10 Cc1cc(sn1)c2ccccc2 271570a_100011218836_100009815735 [0,1,0,1,0,0|2,0,0]=4 1035 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,1,0,1,0,0|1,0,0]=3 1036 B13R2.10 Cc1ccc(o1)c2ccccn2 271570a_100000061910_100011216584 [0,1,0,1,0,0|2,0,0]=4 1037 B13R2.10 Cc1ccc(o1)c2cccnc2 271570a_100000061910_100000752921 [0,1,0,1,0,0|2,0,0]=4 1038 B13R2.10 Cc1ccc(o1)c2ccncc2 271570a_100000061910_100000035832 [0,1,0,1,0,0|2,0,0]=4 1039 B13R2.10 Cc1ccc(s1)c2ccccc2 271570a_100011218836_100000761539 [0,1,0,1,0,0|1,0,0]=3 1040 B13R2.10 Cc1ccc(s1)c2ccccc2 271570a_100011934456_100000210277 [0,1,0,1,0,0|1,0,0]=3 1041 B13R2.10 Cc1ccc(s1)c2ccccn2 271570a_100011264011_100000761539 [0,1,0,1,0,0|2,0,0]=4 1042 B13R2.10 Cc1ccc(s1)c2ccccn2 271570a_100011934456_100011216584 [0,1,0,1,0,0|2,0,0]=4 1043 B13R2.10 Cc1ccc(s1)c2cccnc2 271570a_100000757648_100000761539 [0,1,0,1,0,0|2,0,0]=4 1044 B13R2.10 Cc1ccc(s1)c2cccnc2 271570a_100011934456_100000752921 [0,1,0,1,0,0|2,0,0]=4 1045 B13R2.10 Cc1ccc(s1)c2ccncc2 271570a_100000752145_100000761539 [0,1,0,1,0,0|2,0,0]=4 1046 B13R2.10 Cc1ccc(s1)c2ccncc2 271570a_100011934456_100000035832 [0,1,0,1,0,0|2,0,0]=4 1047 B13R2.10 Cc1cnc(s1)c2ccccc2 271570a_100011218836_100000690809 [0,1,0,1,0,0|2,0,0]=4 1048 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100000038307_100000210277 [0,1,0,1,0,0|2,0,0]=4 1049 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100011218836_100009876951 [0,1,0,1,0,0|2,0,0]=4 1050 B13R2.10 Cc1csc(n1)c2ccccc2 271570a_100011218836_100011291629 [0,1,0,1,0,0|2,0,0]=4 1051 B13R2.10 Cc1nc(c[nH]1)c2ccccc2 271570a_100011218836_100009814057 [0,1,0,1,0,0|1,0,0]=3 1052 B13R2.10 Cc1nc(c[nH]1)c2ccccn2 271570a_100011264011_100009814057 [0,1,0,1,0,0|2,0,0]=4 1053 B13R2.10 Cc1nc(c[nH]1)c2cccnc2 271570a_100000757648_100009814057 [0,1,0,1,0,0|2,0,0]=4 1054 B13R2.10 Cc1nc(c[nH]1)c2ccncc2 271570a_100000752145_100009814057 [0,1,0,1,0,0|2,0,0]=4 1055 B13R2.10 Cc1nc(cs1)c2ccccc2 271570a_100011218836_100011934587 [0,1,0,1,0,0|0,1,0]=3 1056 B13R2.10 Cc1nc(cs1)c2ccccn2 271570a_100011264011_100011934587 [0,1,0,1,0,0|1,1,0]=4 1057 B13R2.10 Cc1nc(cs1)c2cccnc2 271570a_100000757648_100011934587 [0,1,0,1,0,0|1,1,0]=4 1058 B13R2.10 Cc1nc(cs1)c2ccncc2 271570a_100000752145_100011934587 [0,1,0,1,0,0|1,1,0]=4 1059 B13R2.10 Cc1nc(n[nH]1)c2ccccc2 271570a_100011218836_100000732540 [0,1,0,1,0,0|2,0,0]=4 1060 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [0,1,0,1,0,0|1,0,1]=4 1061 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [0,1,0,1,0,0|1,0,1]=4 1062 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100000696845_100000210277 [0,1,0,1,0,0|1,0,0]=3 1063 B13R2.10 Cc1ncc(s1)c2ccccc2 271570a_100011218836_100000764884 [0,1,0,1,0,0|1,0,0]=3 1064 B13R2.10 Cc1ncc(s1)c2ccccn2 271570a_100000696845_100011216584 [0,1,0,1,0,0|2,0,0]=4 1065 B13R2.10 Cc1ncc(s1)c2ccccn2 271570a_100011264011_100000764884 [0,1,0,1,0,0|2,0,0]=4 1066 B13R2.10 Cc1ncc(s1)c2cccnc2 271570a_100000696845_100000752921 [0,1,0,1,0,0|2,0,0]=4 1067 B13R2.10 Cc1ncc(s1)c2cccnc2 271570a_100000757648_100000764884 [0,1,0,1,0,0|2,0,0]=4 1068 B13R2.10 Cc1ncc(s1)c2ccncc2 271570a_100000696845_100000035832 [0,1,0,1,0,0|2,0,0]=4 1069 B13R2.10 Cc1ncc(s1)c2ccncc2 271570a_100000752145_100000764884 [0,1,0,1,0,0|2,0,0]=4 1070 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,1,0,1,0,0|2,0,0]=4 1071 B13R2.10 Cc1nnc(s1)c2ccccc2 271570a_100011218836_100000686958 [0,1,0,1,0,0|2,0,0]=4 1072 B13R2.10 Cc1noc(n1)c2ccccc2 270196a_100000212224_100000185807 [0,1,0,1,0,0|2,0,0]=4 1073 B13R2.10 Cc1nsc(n1)c2ccccc2 271570a_100011218836_100000709739 [0,1,0,1,0,0|2,0,0]=4 1074 B13R2.10 Clc1ccc(s1)c2ccccc2 271570a_100000708867_100000210277 [0,1,0,1,0,0|1,0,1]=4 1075 B13R2.10 Cn1cc(cn1)c2ccccc2 271570a_100000685319_100000210277 [0,1,0,1,0,0|1,0,0]=3 1076 B13R2.10 Cn1cc(cn1)c2ccccc2 271570a_100011218836_100000748075 [0,1,0,1,0,0|1,0,0]=3 1077 B13R2.10 Cn1cc(cn1)c2ccccn2 271570a_100000685319_100011216584 [0,1,0,1,0,0|2,0,0]=4 1078 B13R2.10 Cn1cc(cn1)c2ccccn2 271570a_100011264011_100000748075 [0,1,0,1,0,0|2,0,0]=4 1079 B13R2.10 Cn1cc(cn1)c2cccnc2 271570a_100000685319_100000752921 [0,1,0,1,0,0|2,0,0]=4 1080 B13R2.10 Cn1cc(cn1)c2cccnc2 271570a_100000757648_100000748075 [0,1,0,1,0,0|2,0,0]=4 1081 B13R2.10 Cn1cc(cn1)c2ccncc2 271570a_100000685319_100000035832 [0,1,0,1,0,0|2,0,0]=4 1082 B13R2.10 Cn1cc(cn1)c2ccncc2 271570a_100000752145_100000748075 [0,1,0,1,0,0|2,0,0]=4 1083 B13R2.10 Cn1cc(nn1)c2ccccc2 271570a_100011218836_100000760339 [0,1,0,1,0,0|2,0,0]=4 1084 B13R2.10 Cn1cc(nn1)c2ccccc2 274090a_200000210301_100000210518 [0,1,0,1,0,0|2,0,0]=4 1085 B13R2.10 Cn1ccc(c1)c2ccccc2 271570a_100010172022_100000210277 [0,1,0,1,0,0|1,0,0]=3 1086 B13R2.10 Cn1ccc(c1)c2ccccn2 271570a_100010172022_100011216584 [0,1,0,1,0,0|2,0,0]=4 1087 B13R2.10 Cn1ccc(c1)c2cccnc2 271570a_100010172022_100000752921 [0,1,0,1,0,0|2,0,0]=4 1088 B13R2.10 Cn1ccc(c1)c2ccncc2 271570a_100010172022_100000035832 [0,1,0,1,0,0|2,0,0]=4 1089 B13R2.10 Cn1ccc(n1)c2ccccc2 271570a_100011218836_100000752436 [0,1,0,1,0,0|2,0,0]=4 1090 B13R2.10 Cn1ccc(n1)c2ccccc2 271570a_100012348833_100000210277 [0,1,0,1,0,0|2,0,0]=4 1091 B13R2.10 Cn1cnc(c1)c2ccccc2 271570a_100011218836_100000040308 [0,1,0,1,0,0|2,0,0]=4 1092 B13R2.10 Cn1ncc(n1)c2ccccc2 271570a_100011218836_100000733932 [0,1,0,1,0,0|2,0,0]=4 1093 B13R2.10 Nc1nc(cs1)c2ccccc2 271570a_100011218836_100011998049 [0,1,0,1,0,0|1,1,0]=4 1094 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,1,0,1,0,0|0,0,1]=3 1095 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,1,0,1,0,0|1,0,1]=4 1096 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,1,0,1,0,0|1,0,1]=4 1097 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [0,1,0,1,0,0|1,0,1]=4 1098 B13R2.10 Oc1ccc(s1)c2ccccc2 271570a_203496583355_100009814279 [0,1,0,1,0,0|0,0,2]=4 1099 B13R2.10 Oc1nc(cs1)c2ccccc2 271570a_203496583355_100011830410 [0,1,0,1,0,0|1,0,1]=4 1100 B13R2.10 Oc1ncc(o1)c2ccccc2 271570a_203496583355_100000729704 [0,1,0,1,0,0|1,0,1]=4 1101 B13R2.10 Oc1ncc(s1)c2ccccc2 271570a_203496583355_100000685549 [0,1,0,1,0,0|1,0,1]=4 1102 B13R2.10 [13CH3]n1cc(nn1)c2ccccc2 274090a_200025704644_100000210518 [0,1,0,1,0,0|2,0,0]=4 1103 B13R2.15 Brc1ccsc1c2ccccc2 271570a_100011218836_100012361411 [0,1,0,1,0,0|1,0,1]=4 1104 B13R2.15 Brc1cscc1c2ccccc2 271570a_100011218836_100010143727 [0,1,0,1,0,0|0,1,1]=4 1105 B13R2.15 Brc1n[nH]cc1c2ccccc2 271570a_100011218836_100011012988 [0,1,0,1,0,0|2,0,0]=4 1106 B13R2.15 Cc1[nH]cnc1c2ccccc2 271570a_100011218836_100009816806 [0,1,0,1,0,0|1,0,0]=3 1107 B13R2.15 Cc1[nH]cnc1c2ccccn2 271570a_100011264011_100009816806 [0,1,0,1,0,0|2,0,0]=4 1108 B13R2.15 Cc1[nH]cnc1c2cccnc2 271570a_100000757648_100009816806 [0,1,0,1,0,0|2,0,0]=4 1109 B13R2.15 Cc1[nH]cnc1c2ccncc2 271570a_100000752145_100009816806 [0,1,0,1,0,0|2,0,0]=4 1110 B13R2.15 Cc1c[nH]nc1c2ccccc2 271570a_100011218836_100009871783 [0,1,0,1,0,0|2,0,0]=4 1111 B13R2.15 Cc1c[nH]nc1c2ccccc2 271570a_100102527747_100000210277 [0,1,0,1,0,0|2,0,0]=4 1112 B13R2.15 Cc1ccsc1c2ccccc2 271570a_100000734444_100000210277 [0,1,0,1,0,0|1,0,0]=3 1113 B13R2.15 Cc1ccsc1c2ccccc2 271570a_100011218836_100000742657 [0,1,0,1,0,0|1,0,0]=3 1114 B13R2.15 Cc1ccsc1c2ccccn2 271570a_100000734444_100011216584 [0,1,0,1,0,0|2,0,0]=4 1115 B13R2.15 Cc1ccsc1c2ccccn2 271570a_100011264011_100000742657 [0,1,0,1,0,0|2,0,0]=4 1116 B13R2.15 Cc1ccsc1c2cccnc2 271570a_100000734444_100000752921 [0,1,0,1,0,0|2,0,0]=4 1117 B13R2.15 Cc1ccsc1c2cccnc2 271570a_100000757648_100000742657 [0,1,0,1,0,0|2,0,0]=4 1118 B13R2.15 Cc1ccsc1c2ccncc2 271570a_100000734444_100000035832 [0,1,0,1,0,0|2,0,0]=4 1119 B13R2.15 Cc1ccsc1c2ccncc2 271570a_100000752145_100000742657 [0,1,0,1,0,0|2,0,0]=4 1120 B13R2.15 Cc1cscc1c2ccccc2 271570a_100000069996_100000210277 [0,1,0,1,0,0|0,1,0]=3 1121 B13R2.15 Cc1cscc1c2ccccc2 271570a_100011218836_100000759966 [0,1,0,1,0,0|0,1,0]=3 1122 B13R2.15 Cc1cscc1c2ccccn2 271570a_100000069996_100011216584 [0,1,0,1,0,0|1,1,0]=4 1123 B13R2.15 Cc1cscc1c2ccccn2 271570a_100011264011_100000759966 [0,1,0,1,0,0|1,1,0]=4 1124 B13R2.15 Cc1cscc1c2cccnc2 271570a_100000069996_100000752921 [0,1,0,1,0,0|1,1,0]=4 1125 B13R2.15 Cc1cscc1c2cccnc2 271570a_100000757648_100000759966 [0,1,0,1,0,0|1,1,0]=4 1126 B13R2.15 Cc1cscc1c2ccncc2 271570a_100000069996_100000035832 [0,1,0,1,0,0|1,1,0]=4 1127 B13R2.15 Cc1cscc1c2ccncc2 271570a_100000752145_100000759966 [0,1,0,1,0,0|1,1,0]=4 1128 B13R2.15 Cc1n[nH]cc1c2ccccc2 271570a_100000069033_100000210277 [0,1,0,1,0,0|1,0,0]=3 1129 B13R2.15 Cc1n[nH]cc1c2ccccc2 271570a_100011218836_100011912673 [0,1,0,1,0,0|1,0,0]=3 1130 B13R2.15 Cc1n[nH]cc1c2ccccn2 271570a_100000069033_100011216584 [0,1,0,1,0,0|2,0,0]=4 1131 B13R2.15 Cc1n[nH]cc1c2ccccn2 271570a_100011264011_100011912673 [0,1,0,1,0,0|2,0,0]=4 1132 B13R2.15 Cc1n[nH]cc1c2cccnc2 271570a_100000069033_100000752921 [0,1,0,1,0,0|2,0,0]=4 1133 B13R2.15 Cc1n[nH]cc1c2cccnc2 271570a_100000757648_100011912673 [0,1,0,1,0,0|2,0,0]=4 1134 B13R2.15 Cc1n[nH]cc1c2ccncc2 271570a_100000069033_100000035832 [0,1,0,1,0,0|2,0,0]=4 1135 B13R2.15 Cc1n[nH]cc1c2ccncc2 271570a_100000752145_100011912673 [0,1,0,1,0,0|2,0,0]=4 1136 B13R2.15 Cc1ncsc1c2ccccc2 271570a_100010115231_100000210277 [0,1,0,1,0,0|1,0,0]=3 1137 B13R2.15 Cc1ncsc1c2ccccc2 271570a_100011218836_100009817116 [0,1,0,1,0,0|1,0,0]=3 1138 B13R2.15 Cc1ncsc1c2ccccn2 271570a_100010115231_100011216584 [0,1,0,1,0,0|2,0,0]=4 1139 B13R2.15 Cc1ncsc1c2ccccn2 271570a_100011264011_100009817116 [0,1,0,1,0,0|2,0,0]=4 1140 B13R2.15 Cc1ncsc1c2cccnc2 271570a_100000757648_100009817116 [0,1,0,1,0,0|2,0,0]=4 1141 B13R2.15 Cc1ncsc1c2cccnc2 271570a_100010115231_100000752921 [0,1,0,1,0,0|2,0,0]=4 1142 B13R2.15 Cc1ncsc1c2ccncc2 271570a_100000752145_100009817116 [0,1,0,1,0,0|2,0,0]=4 1143 B13R2.15 Cc1ncsc1c2ccncc2 271570a_100010115231_100000035832 [0,1,0,1,0,0|2,0,0]=4 1144 B13R2.15 Cc1occc1c2ccccc2 271570a_100000070625_100000210277 [0,1,0,1,0,0|0,0,1]=3 1145 B13R2.15 Cc1occc1c2ccccn2 271570a_100000070625_100011216584 [0,1,0,1,0,0|1,0,1]=4 1146 B13R2.15 Cc1occc1c2cccnc2 271570a_100000070625_100000752921 [0,1,0,1,0,0|1,0,1]=4 1147 B13R2.15 Cc1occc1c2ccncc2 271570a_100000070625_100000035832 [0,1,0,1,0,0|1,0,1]=4 1148 B13R2.15 Cc1oncc1c2ccccc2 271570a_100000723675_100000210277 [0,1,0,1,0,0|0,0,1]=3 1149 B13R2.15 Cc1oncc1c2ccccc2 271570a_100011218836_100009872056 [0,1,0,1,0,0|0,0,1]=3 1150 B13R2.15 Cc1oncc1c2ccccn2 271570a_100000723675_100011216584 [0,1,0,1,0,0|1,0,1]=4 1151 B13R2.15 Cc1oncc1c2ccccn2 271570a_100011264011_100009872056 [0,1,0,1,0,0|1,0,1]=4 1152 B13R2.15 Cc1oncc1c2cccnc2 271570a_100000723675_100000752921 [0,1,0,1,0,0|1,0,1]=4 1153 B13R2.15 Cc1oncc1c2cccnc2 271570a_100000757648_100009872056 [0,1,0,1,0,0|1,0,1]=4 1154 B13R2.15 Cc1oncc1c2ccncc2 271570a_100000723675_100000035832 [0,1,0,1,0,0|1,0,1]=4 1155 B13R2.15 Cc1oncc1c2ccncc2 271570a_100000752145_100009872056 [0,1,0,1,0,0|1,0,1]=4 1156 B13R2.15 Cc1sccc1c2ccccc2 271570a_100011218836_100000684487 [0,1,0,1,0,0|0,1,0]=3 1157 B13R2.15 Cc1sccc1c2ccccc2 271570a_100012356473_100000210277 [0,1,0,1,0,0|0,1,0]=3 1158 B13R2.15 Cc1sccc1c2ccccn2 271570a_100011264011_100000684487 [0,1,0,1,0,0|1,1,0]=4 1159 B13R2.15 Cc1sccc1c2ccccn2 271570a_100012356473_100011216584 [0,1,0,1,0,0|1,1,0]=4 1160 B13R2.15 Cc1sccc1c2cccnc2 271570a_100000757648_100000684487 [0,1,0,1,0,0|1,1,0]=4 1161 B13R2.15 Cc1sccc1c2cccnc2 271570a_100012356473_100000752921 [0,1,0,1,0,0|1,1,0]=4 1162 B13R2.15 Cc1sccc1c2ccncc2 271570a_100000752145_100000684487 [0,1,0,1,0,0|1,1,0]=4 1163 B13R2.15 Cc1sccc1c2ccncc2 271570a_100012356473_100000035832 [0,1,0,1,0,0|1,1,0]=4 1164 B13R2.15 Cc1scnc1c2ccccc2 271570a_100011218836_100000732656 [0,1,0,1,0,0|0,1,0]=3 1165 B13R2.15 Cc1scnc1c2ccccn2 271570a_100011264011_100000732656 [0,1,0,1,0,0|1,1,0]=4 1166 B13R2.15 Cc1scnc1c2cccnc2 271570a_100000757648_100000732656 [0,1,0,1,0,0|1,1,0]=4 1167 B13R2.15 Cc1scnc1c2ccncc2 271570a_100000752145_100000732656 [0,1,0,1,0,0|1,1,0]=4 1168 B13R2.15 Clc1nc[nH]c1c2ccccc2 271570a_100011218836_100010200774 [0,1,0,1,0,0|2,0,0]=4 1169 B13R2.15 Clc1sccc1c2ccccc2 271570a_100000117213_100000210277 [0,1,0,1,0,0|0,1,1]=4 1170 B13R2.15 Cn1cccc1c2ccccc2 271570a_100000068268_100000210277 [0,1,0,1,0,0|2,0,0]=4 1171 B13R2.15 Cn1ccnc1c2ccccc2 271570a_100011218836_100000707724 [0,1,0,1,0,0|2,0,0]=4 1172 B13R2.15 Cn1cncc1c2ccccc2 271570a_100009892668_100000210277 [0,1,0,1,0,0|2,0,0]=4 1173 B13R2.15 Cn1cncc1c2ccccc2 271570a_100011218836_100009814087 [0,1,0,1,0,0|2,0,0]=4 1174 B13R2.15 Cn1nccc1c2ccccc2 271570a_100000707534_100000210277 [0,1,0,1,0,0|2,0,0]=4 1175 B13R2.15 Cn1nccc1c2ccccc2 271570a_100011218836_100000688441 [0,1,0,1,0,0|2,0,0]=4 1176 B13R2.15 Cn1ncnc1c2ccccc2 271570a_100011218836_100000732653 [0,1,0,1,0,0|2,0,0]=4 1177 B13R2.15 Fc1n[nH]cc1c2ccccc2 271570a_100011218836_100015597042 [0,1,0,1,0,0|2,0,0]=4 1178 B13R2.15 Nc1n[nH]cc1c2ccccc2 271570a_100011218836_100000717100 [0,1,0,1,0,0|2,0,0]=4 1179 B13R2.15 Nc1nocc1c2ccccc2 271570a_100011218836_100012597345 [0,1,0,1,0,0|1,0,1]=4 1180 B13R2.1613 C=Cc1cccc2c1cccc2 271570a_100011290941_100000210605 [0,1,0,1,0,0|1,0,1]=4 1181 B13R2.1613 C=Cc1ccnc2c1cccc2 271570a_100011290941_100011215880 [0,1,0,1,0,0|1,0,1]=4 1182 B13R2.1613 C=Cc1cncc2c1cccc2 271570a_100011290941_100000187577 [0,1,0,1,0,0|1,0,1]=4 1183 B13R2.1613 C=Cc1cnnc2c1cccc2 271570a_100011290941_100000063506 [0,1,0,1,0,0|1,0,1]=4 1184 B13R2.1613 C=Cc1nccc2c1cccc2 271570a_100011290941_100011934041 [0,1,0,1,0,0|1,0,1]=4 1185 B13R2.1613 C=Cc1ncnc2c1cccc2 271570a_100011290941_100000217608 [0,1,0,1,0,0|1,0,1]=4 1186 B13R2.1613 CNc1cccc2c1cccc2 34a_100000185869_200000210301 [0,1,0,1,0,0|2,0,0]=4 1187 B13R2.1613 CNc1ccnc2c1cccc2 27a_100102657272_100011215880 [0,1,0,1,0,0|2,0,0]=4 1188 B13R2.1613 CNc1cnnc2c1cccc2 27a_100102657272_100000063506 [0,1,0,1,0,0|2,0,0]=4 1189 B13R2.1613 CNc1nccc2c1cccc2 27a_100102657272_100011934041 [0,1,0,1,0,0|2,0,0]=4 1190 B13R2.1613 CNc1ncnc2c1cccc2 27a_100102657272_100000217608 [0,1,0,1,0,0|2,0,0]=4 1191 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [0,1,0,1,0,0|2,0,0]=4 1192 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [0,1,0,1,0,0|2,0,0]=4 1193 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [0,1,0,1,0,0|2,0,0]=4 1194 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [0,1,0,1,0,0|2,0,0]=4 1195 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [0,1,0,1,0,0|2,0,0]=4 1196 B13R2.1613 CSc1cccc2c1cccc2 62a_200000210301_100000210605 [0,1,0,1,0,0|2,0,0]=4 1197 B13R2.1613 CSc1ccnc2c1cccc2 62a_100011458314_200000210301 [0,1,0,1,0,0|2,0,0]=4 1198 B13R2.1613 CSc1ccnc2c1cccc2 62a_200000210301_100011215880 [0,1,0,1,0,0|2,0,0]=4 1199 B13R2.1613 CSc1cncc2c1cccc2 62a_100000187577_200000210301 [0,1,0,1,0,0|2,0,0]=4 1200 B13R2.1613 CSc1cncc2c1cccc2 62a_200000210301_100000187577 [0,1,0,1,0,0|2,0,0]=4 1201 B13R2.1613 CSc1cnnc2c1cccc2 62a_200000210301_100000063506 [0,1,0,1,0,0|2,0,0]=4 1202 B13R2.1613 CSc1nccc2c1cccc2 62a_100011934041_200000210301 [0,1,0,1,0,0|2,0,0]=4 1203 B13R2.1613 CSc1nccc2c1cccc2 62a_200000210301_100011934041 [0,1,0,1,0,0|2,0,0]=4 1204 B13R2.1613 CSc1ncnc2c1cccc2 62a_100000753007_200000210301 [0,1,0,1,0,0|2,0,0]=4 1205 B13R2.1613 CSc1ncnc2c1cccc2 62a_200000210301_100000217608 [0,1,0,1,0,0|2,0,0]=4 1206 B13R2.1613 [13CH3]Nc1cccc2c1cccc2 34a_100000185869_200025704644 [0,1,0,1,0,0|2,0,0]=4 1207 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [0,1,0,1,0,0|2,0,0]=4 1208 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [0,1,0,1,0,0|2,0,0]=4 1209 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [0,1,0,1,0,0|2,0,0]=4 1210 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [0,1,0,1,0,0|2,0,0]=4 1211 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [0,1,0,1,0,0|2,0,0]=4 1212 B13R2.1613 [13CH3]Sc1cccc2c1cccc2 62a_200025704644_100000210605 [0,1,0,1,0,0|2,0,0]=4 1213 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_100011458314_200025704644 [0,1,0,1,0,0|2,0,0]=4 1214 B13R2.1613 [13CH3]Sc1ccnc2c1cccc2 62a_200025704644_100011215880 [0,1,0,1,0,0|2,0,0]=4 1215 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_100000187577_200025704644 [0,1,0,1,0,0|2,0,0]=4 1216 B13R2.1613 [13CH3]Sc1cncc2c1cccc2 62a_200025704644_100000187577 [0,1,0,1,0,0|2,0,0]=4 1217 B13R2.1613 [13CH3]Sc1cnnc2c1cccc2 62a_200025704644_100000063506 [0,1,0,1,0,0|2,0,0]=4 1218 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_100011934041_200025704644 [0,1,0,1,0,0|2,0,0]=4 1219 B13R2.1613 [13CH3]Sc1nccc2c1cccc2 62a_200025704644_100011934041 [0,1,0,1,0,0|2,0,0]=4 1220 B13R2.1613 [13CH3]Sc1ncnc2c1cccc2 62a_100000753007_200025704644 [0,1,0,1,0,0|2,0,0]=4 1221 B13R2.1613 [13CH3]Sc1ncnc2c1cccc2 62a_200025704644_100000217608 [0,1,0,1,0,0|2,0,0]=4 1222 B13R2.2931 C=Cc1cn(c2c1cccn2)C 271570a_100011290941_100010205794 [0,1,0,1,0,0|2,0,0]=4 1223 B13R2.2931 C=Cc1nn(c2c1cccc2)C 271570a_100011290941_100009817141 [0,1,0,1,0,0|2,0,0]=4 1224 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,1,0,1,0,0|1,0,1]=4 1225 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,1,0,1,0,0|1,0,1]=4 1226 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,1,0,1,0,0|1,0,1]=4 1227 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,1,0,1,0,0|1,0,1]=4 1228 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,1,0,1,0,0|1,0,1]=4 1229 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,1,0,1,0,0|1,0,1]=4 1230 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,1,0,1,0,0|1,0,1]=4 1231 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,1,0,1,0,0|1,0,1]=4 1232 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,1,0,1,0,0|1,0,1]=4 1233 B13R2.12 Brc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000752885 [0,1,0,1,0,0|1,0,1]=4 1234 B13R2.12 Brc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000752885 [0,1,0,1,0,0|0,0,2]=4 1235 B13R2.12 Brc1ccc(cc1)C2=COCC2 271570a_100000118173_100000752885 [0,1,0,1,0,0|0,0,2]=4 1236 B13R2.12 Brc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000752885 [0,1,0,1,0,0|1,0,1]=4 1237 B13R2.12 Brc1ccc(cc1)c2ccoc2 271570a_100010235827_100011215275 [0,1,0,1,0,0|0,0,2]=4 1238 B13R2.12 Brc1ccc(cc1)c2ccoc2 271570a_100011218838_100000752885 [0,1,0,1,0,0|0,0,2]=4 1239 B13R2.12 Brc1ccc(cc1)c2ccsc2 271570a_100010235827_100000738268 [0,1,0,1,0,0|0,1,1]=4 1240 B13R2.12 Brc1ccc(cc1)c2ccsc2 271570a_100011934443_100000752885 [0,1,0,1,0,0|0,1,1]=4 1241 B13R2.12 Brc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000752885 [0,1,0,1,0,0|2,0,0]=4 1242 B13R2.12 Brc1ccc(cc1)c2cn[nH]c2 271570a_100010235827_100000238712 [0,1,0,1,0,0|2,0,0]=4 1243 B13R2.12 Brc1ccc(cc1)c2cnoc2 271570a_100010235827_100009815712 [0,1,0,1,0,0|1,0,1]=4 1244 B13R2.12 Brc1ccc(cc1)c2cnsc2 271570a_100010235827_100009815736 [0,1,0,1,0,0|1,1,0]=4 1245 B13R2.12 Cc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000186775 [0,1,0,1,0,0|1,0,1]=4 1246 B13R2.12 Cc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000186775 [0,1,0,1,0,0|0,0,2]=4 1247 B13R2.12 Cc1ccc(cc1)C2=COCC2 271570a_100000118173_100000186775 [0,1,0,1,0,0|0,0,2]=4 1248 B13R2.12 Cc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000186775 [0,1,0,1,0,0|1,0,1]=4 1249 B13R2.12 Cc1ccc(cc1)c2ccoc2 271570a_100000708704_100011215275 [0,1,0,1,0,0|0,0,2]=4 1250 B13R2.12 Cc1ccc(cc1)c2ccoc2 271570a_100011218838_100000186775 [0,1,0,1,0,0|0,0,2]=4 1251 B13R2.12 Cc1ccc(cc1)c2ccsc2 271570a_100000708704_100000738268 [0,1,0,1,0,0|0,1,1]=4 1252 B13R2.12 Cc1ccc(cc1)c2ccsc2 271570a_100011934443_100000186775 [0,1,0,1,0,0|0,1,1]=4 1253 B13R2.12 Cc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000186775 [0,1,0,1,0,0|2,0,0]=4 1254 B13R2.12 Cc1ccc(cc1)c2cn[nH]c2 271570a_100000708704_100000238712 [0,1,0,1,0,0|2,0,0]=4 1255 B13R2.12 Cc1ccc(cc1)c2cnoc2 271570a_100000708704_100009815712 [0,1,0,1,0,0|1,0,1]=4 1256 B13R2.12 Cc1ccc(cc1)c2cnsc2 271570a_100000708704_100009815736 [0,1,0,1,0,0|1,1,0]=4 1257 B13R2.12 Clc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000755918 [0,1,0,1,0,0|1,0,1]=4 1258 B13R2.12 Clc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000755918 [0,1,0,1,0,0|0,0,2]=4 1259 B13R2.12 Clc1ccc(cc1)C2=COCC2 271570a_100000118173_100000755918 [0,1,0,1,0,0|0,0,2]=4 1260 B13R2.12 Clc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000755918 [0,1,0,1,0,0|1,0,1]=4 1261 B13R2.12 Clc1ccc(cc1)c2ccoc2 271570a_100011213355_100011215275 [0,1,0,1,0,0|0,0,2]=4 1262 B13R2.12 Clc1ccc(cc1)c2ccoc2 271570a_100011218838_100000755918 [0,1,0,1,0,0|0,0,2]=4 1263 B13R2.12 Clc1ccc(cc1)c2ccsc2 271570a_100011213355_100000738268 [0,1,0,1,0,0|0,1,1]=4 1264 B13R2.12 Clc1ccc(cc1)c2ccsc2 271570a_100011934443_100000755918 [0,1,0,1,0,0|0,1,1]=4 1265 B13R2.12 Clc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000755918 [0,1,0,1,0,0|2,0,0]=4 1266 B13R2.12 Clc1ccc(cc1)c2cn[nH]c2 271570a_100011213355_100000238712 [0,1,0,1,0,0|2,0,0]=4 1267 B13R2.12 Clc1ccc(cc1)c2cnoc2 271570a_100011213355_100009815712 [0,1,0,1,0,0|1,0,1]=4 1268 B13R2.12 Clc1ccc(cc1)c2cnsc2 271570a_100011213355_100009815736 [0,1,0,1,0,0|1,1,0]=4 1269 B13R2.12 Fc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000211213 [0,1,0,1,0,0|1,0,1]=4 1270 B13R2.12 Fc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000211213 [0,1,0,1,0,0|0,0,2]=4 1271 B13R2.12 Fc1ccc(cc1)C2=COCC2 271570a_100000118173_100000211213 [0,1,0,1,0,0|0,0,2]=4 1272 B13R2.12 Fc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000211213 [0,1,0,1,0,0|1,0,1]=4 1273 B13R2.12 Fc1ccc(cc1)c2ccoc2 271570a_100011218838_100000211213 [0,1,0,1,0,0|0,0,2]=4 1274 B13R2.12 Fc1ccc(cc1)c2ccoc2 271570a_100011934326_100011215275 [0,1,0,1,0,0|0,0,2]=4 1275 B13R2.12 Fc1ccc(cc1)c2ccsc2 271570a_100011934326_100000738268 [0,1,0,1,0,0|0,1,1]=4 1276 B13R2.12 Fc1ccc(cc1)c2ccsc2 271570a_100011934443_100000211213 [0,1,0,1,0,0|0,1,1]=4 1277 B13R2.12 Fc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000211213 [0,1,0,1,0,0|2,0,0]=4 1278 B13R2.12 Fc1ccc(cc1)c2cn[nH]c2 271570a_100011934326_100000238712 [0,1,0,1,0,0|2,0,0]=4 1279 B13R2.12 Fc1ccc(cc1)c2cnoc2 271570a_100011934326_100009815712 [0,1,0,1,0,0|1,0,1]=4 1280 B13R2.12 Fc1ccc(cc1)c2cnsc2 271570a_100011934326_100009815736 [0,1,0,1,0,0|1,1,0]=4 1281 B13R2.12 Ic1ccc(cc1)c2ccoc2 271570a_100000033156_100011215275 [0,1,0,1,0,0|0,0,2]=4 1282 B13R2.12 Ic1ccc(cc1)c2ccsc2 271570a_100000033156_100000738268 [0,1,0,1,0,0|0,1,1]=4 1283 B13R2.12 Ic1ccc(cc1)c2cn[nH]c2 271570a_100000033156_100000238712 [0,1,0,1,0,0|2,0,0]=4 1284 B13R2.12 Ic1ccc(cc1)c2cnoc2 271570a_100000033156_100009815712 [0,1,0,1,0,0|1,0,1]=4 1285 B13R2.12 Ic1ccc(cc1)c2cnsc2 271570a_100000033156_100009815736 [0,1,0,1,0,0|1,1,0]=4 1286 B13R2.12 Nc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185761 [0,1,0,1,0,0|1,0,1]=4 1287 B13R2.12 Nc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000185761 [0,1,0,1,0,0|0,0,2]=4 1288 B13R2.12 Nc1ccc(cc1)C2=COCC2 271570a_100000118173_100000185761 [0,1,0,1,0,0|0,0,2]=4 1289 B13R2.12 Nc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000185761 [0,1,0,1,0,0|1,0,1]=4 1290 B13R2.12 Nc1ccc(cc1)c2ccoc2 271570a_100011218838_100000185761 [0,1,0,1,0,0|0,0,2]=4 1291 B13R2.12 Nc1ccc(cc1)c2ccoc2 271570a_100015188457_100011215275 [0,1,0,1,0,0|0,0,2]=4 1292 B13R2.12 Nc1ccc(cc1)c2ccsc2 271570a_100011934443_100000185761 [0,1,0,1,0,0|0,1,1]=4 1293 B13R2.12 Nc1ccc(cc1)c2ccsc2 271570a_100015188457_100000738268 [0,1,0,1,0,0|0,1,1]=4 1294 B13R2.12 Nc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000185761 [0,1,0,1,0,0|2,0,0]=4 1295 B13R2.12 Nc1ccc(cc1)c2cn[nH]c2 271570a_100015188457_100000238712 [0,1,0,1,0,0|2,0,0]=4 1296 B13R2.12 Nc1ccc(cc1)c2cnoc2 271570a_100015188457_100009815712 [0,1,0,1,0,0|1,0,1]=4 1297 B13R2.12 Nc1ccc(cc1)c2cnsc2 271570a_100015188457_100009815736 [0,1,0,1,0,0|1,1,0]=4 1298 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185759 [0,1,0,1,0,0|1,0,1]=4 1299 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_203496583355_200010223205 [0,1,0,1,0,0|1,0,1]=4 1300 B13R2.12 Oc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000185759 [0,1,0,1,0,0|0,0,2]=4 1301 B13R2.12 Oc1ccc(cc1)C2=COCC2 271570a_100000118173_100000185759 [0,1,0,1,0,0|0,0,2]=4 1302 B13R2.12 Oc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000185759 [0,1,0,1,0,0|1,0,1]=4 1303 B13R2.12 Oc1ccc(cc1)c2ccoc2 271570a_100011218838_100000185759 [0,1,0,1,0,0|0,0,2]=4 1304 B13R2.12 Oc1ccc(cc1)c2ccoc2 271570a_100015205159_100011215275 [0,1,0,1,0,0|0,0,2]=4 1305 B13R2.12 Oc1ccc(cc1)c2ccsc2 271570a_100011934443_100000185759 [0,1,0,1,0,0|0,1,1]=4 1306 B13R2.12 Oc1ccc(cc1)c2ccsc2 271570a_100015205159_100000738268 [0,1,0,1,0,0|0,1,1]=4 1307 B13R2.12 Oc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000185759 [0,1,0,1,0,0|2,0,0]=4 1308 B13R2.12 Oc1ccc(cc1)c2cn[nH]c2 271570a_100015205159_100000238712 [0,1,0,1,0,0|2,0,0]=4 1309 B13R2.12 Oc1ccc(cc1)c2cn[nH]c2 271570a_203496583355_100000708628 [0,1,0,1,0,0|2,0,0]=4 1310 B13R2.12 Oc1ccc(cc1)c2cnoc2 271570a_100015205159_100009815712 [0,1,0,1,0,0|1,0,1]=4 1311 B13R2.12 Oc1ccc(cc1)c2cnsc2 271570a_100015205159_100009815736 [0,1,0,1,0,0|1,1,0]=4 1312 B13R2.662 O=Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009817233 [0,1,0,1,0,0|2,0,0]=4 1313 B13R2.9 O=Cc1n[nH]c2c1cccc2O 271570a_203496583355_100009814788 [0,1,0,1,0,0|2,0,0]=4 1314 B13R2.13 Brc1cccc(c1)C2=CCCC2 271570a_100000089523_100000691529 [0,1,0,1,0,0|1,0,1]=4 1315 B13R2.13 Brc1cccc(c1)C2=CCOC2 271570a_100009872500_100000691529 [0,1,0,1,0,0|0,0,2]=4 1316 B13R2.13 Brc1cccc(c1)C2=COCC2 271570a_100000118173_100000691529 [0,1,0,1,0,0|0,0,2]=4 1317 B13R2.13 Brc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000691529 [0,1,0,1,0,0|1,0,1]=4 1318 B13R2.13 Brc1cccc(c1)c2ccoc2 271570a_100011218838_100000691529 [0,1,0,1,0,0|0,0,2]=4 1319 B13R2.13 Brc1cccc(c1)c2ccsc2 271570a_100011934443_100000691529 [0,1,0,1,0,0|0,1,1]=4 1320 B13R2.13 Brc1cccc(c1)c2cn[nH]c2 271570a_100000041997_100000691529 [0,1,0,1,0,0|2,0,0]=4 1321 B13R2.13 Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100011215228 [0,1,0,1,0,0|1,0,1]=4 1322 B13R2.13 Cc1cccc(c1)C2=CCOC2 271570a_100009872500_100011215228 [0,1,0,1,0,0|0,0,2]=4 1323 B13R2.13 Cc1cccc(c1)C2=COCC2 271570a_100000118173_100011215228 [0,1,0,1,0,0|0,0,2]=4 1324 B13R2.13 Cc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100011215228 [0,1,0,1,0,0|1,0,1]=4 1325 B13R2.13 Cc1cccc(c1)c2ccoc2 271570a_100000749446_100011215275 [0,1,0,1,0,0|0,0,2]=4 1326 B13R2.13 Cc1cccc(c1)c2ccoc2 271570a_100011218838_100011215228 [0,1,0,1,0,0|0,0,2]=4 1327 B13R2.13 Cc1cccc(c1)c2ccsc2 271570a_100000749446_100000738268 [0,1,0,1,0,0|0,1,1]=4 1328 B13R2.13 Cc1cccc(c1)c2ccsc2 271570a_100011934443_100011215228 [0,1,0,1,0,0|0,1,1]=4 1329 B13R2.13 Cc1cccc(c1)c2cn[nH]c2 271570a_100000041997_100011215228 [0,1,0,1,0,0|2,0,0]=4 1330 B13R2.13 Cc1cccc(c1)c2cn[nH]c2 271570a_100000749446_100000238712 [0,1,0,1,0,0|2,0,0]=4 1331 B13R2.13 Cc1cccc(c1)c2cnoc2 271570a_100000749446_100009815712 [0,1,0,1,0,0|1,0,1]=4 1332 B13R2.13 Cc1cccc(c1)c2cnsc2 271570a_100000749446_100009815736 [0,1,0,1,0,0|1,1,0]=4 1333 B13R2.13 Clc1cccc(c1)C2=CCCC2 271570a_100000089523_100000699651 [0,1,0,1,0,0|1,0,1]=4 1334 B13R2.13 Clc1cccc(c1)C2=CCOC2 271570a_100009872500_100000699651 [0,1,0,1,0,0|0,0,2]=4 1335 B13R2.13 Clc1cccc(c1)C2=COCC2 271570a_100000118173_100000699651 [0,1,0,1,0,0|0,0,2]=4 1336 B13R2.13 Clc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000699651 [0,1,0,1,0,0|1,0,1]=4 1337 B13R2.13 Clc1cccc(c1)c2ccoc2 271570a_100011214927_100011215275 [0,1,0,1,0,0|0,0,2]=4 1338 B13R2.13 Clc1cccc(c1)c2ccoc2 271570a_100011218838_100000699651 [0,1,0,1,0,0|0,0,2]=4 1339 B13R2.13 Clc1cccc(c1)c2ccsc2 271570a_100011214927_100000738268 [0,1,0,1,0,0|0,1,1]=4 1340 B13R2.13 Clc1cccc(c1)c2ccsc2 271570a_100011934443_100000699651 [0,1,0,1,0,0|0,1,1]=4 1341 B13R2.13 Clc1cccc(c1)c2cn[nH]c2 271570a_100000041997_100000699651 [0,1,0,1,0,0|2,0,0]=4 1342 B13R2.13 Clc1cccc(c1)c2cn[nH]c2 271570a_100011214927_100000238712 [0,1,0,1,0,0|2,0,0]=4 1343 B13R2.13 Clc1cccc(c1)c2cnoc2 271570a_100011214927_100009815712 [0,1,0,1,0,0|1,0,1]=4 1344 B13R2.13 Clc1cccc(c1)c2cnsc2 271570a_100011214927_100009815736 [0,1,0,1,0,0|1,1,0]=4 1345 B13R2.13 Fc1cccc(c1)C2=CCCC2 271570a_100000089523_100000685547 [0,1,0,1,0,0|1,0,1]=4 1346 B13R2.13 Fc1cccc(c1)C2=CCOC2 271570a_100009872500_100000685547 [0,1,0,1,0,0|0,0,2]=4 1347 B13R2.13 Fc1cccc(c1)C2=COCC2 271570a_100000118173_100000685547 [0,1,0,1,0,0|0,0,2]=4 1348 B13R2.13 Fc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000685547 [0,1,0,1,0,0|1,0,1]=4 1349 B13R2.13 Fc1cccc(c1)c2ccoc2 271570a_100011218838_100000685547 [0,1,0,1,0,0|0,0,2]=4 1350 B13R2.13 Fc1cccc(c1)c2ccoc2 271570a_100012349223_100011215275 [0,1,0,1,0,0|0,0,2]=4 1351 B13R2.13 Fc1cccc(c1)c2ccsc2 271570a_100011934443_100000685547 [0,1,0,1,0,0|0,1,1]=4 1352 B13R2.13 Fc1cccc(c1)c2ccsc2 271570a_100012349223_100000738268 [0,1,0,1,0,0|0,1,1]=4 1353 B13R2.13 Fc1cccc(c1)c2cn[nH]c2 271570a_100000041997_100000685547 [0,1,0,1,0,0|2,0,0]=4 1354 B13R2.13 Fc1cccc(c1)c2cn[nH]c2 271570a_100012349223_100000238712 [0,1,0,1,0,0|2,0,0]=4 1355 B13R2.13 Fc1cccc(c1)c2cnoc2 271570a_100012349223_100009815712 [0,1,0,1,0,0|1,0,1]=4 1356 B13R2.13 Fc1cccc(c1)c2cnsc2 271570a_100012349223_100009815736 [0,1,0,1,0,0|1,1,0]=4 1357 B13R2.13 Ic1cccc(c1)c2ccoc2 271570a_100000043368_100011215275 [0,1,0,1,0,0|0,0,2]=4 1358 B13R2.13 Ic1cccc(c1)c2ccsc2 271570a_100000043368_100000738268 [0,1,0,1,0,0|0,1,1]=4 1359 B13R2.13 Ic1cccc(c1)c2cn[nH]c2 271570a_100000043368_100000238712 [0,1,0,1,0,0|2,0,0]=4 1360 B13R2.13 Ic1cccc(c1)c2cnoc2 271570a_100000043368_100009815712 [0,1,0,1,0,0|1,0,1]=4 1361 B13R2.13 Ic1cccc(c1)c2cnsc2 271570a_100000043368_100009815736 [0,1,0,1,0,0|1,1,0]=4 1362 B13R2.13 Nc1cccc(c1)C2=CCCC2 271570a_100000089523_100000210019 [0,1,0,1,0,0|1,0,1]=4 1363 B13R2.13 Nc1cccc(c1)C2=CCOC2 271570a_100009872500_100000210019 [0,1,0,1,0,0|0,0,2]=4 1364 B13R2.13 Nc1cccc(c1)C2=COCC2 271570a_100000118173_100000210019 [0,1,0,1,0,0|0,0,2]=4 1365 B13R2.13 Nc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000210019 [0,1,0,1,0,0|1,0,1]=4 1366 B13R2.13 Nc1cccc(c1)c2ccoc2 271570a_100000699968_100011215275 [0,1,0,1,0,0|0,0,2]=4 1367 B13R2.13 Nc1cccc(c1)c2ccoc2 271570a_100011218838_100000210019 [0,1,0,1,0,0|0,0,2]=4 1368 B13R2.13 Nc1cccc(c1)c2ccsc2 271570a_100000699968_100000738268 [0,1,0,1,0,0|0,1,1]=4 1369 B13R2.13 Nc1cccc(c1)c2ccsc2 271570a_100011934443_100000210019 [0,1,0,1,0,0|0,1,1]=4 1370 B13R2.13 Nc1cccc(c1)c2cn[nH]c2 271570a_100000041997_100000210019 [0,1,0,1,0,0|2,0,0]=4 1371 B13R2.13 Nc1cccc(c1)c2cn[nH]c2 271570a_100000699968_100000238712 [0,1,0,1,0,0|2,0,0]=4 1372 B13R2.13 Nc1cccc(c1)c2cnoc2 271570a_100000699968_100009815712 [0,1,0,1,0,0|1,0,1]=4 1373 B13R2.13 Nc1cccc(c1)c2cnsc2 271570a_100000699968_100009815736 [0,1,0,1,0,0|1,1,0]=4 1374 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_100000089523_100000211634 [0,1,0,1,0,0|1,0,1]=4 1375 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_203496583355_200010203063 [0,1,0,1,0,0|1,0,1]=4 1376 B13R2.13 Oc1cccc(c1)C2=CCOC2 271570a_100009872500_100000211634 [0,1,0,1,0,0|0,0,2]=4 1377 B13R2.13 Oc1cccc(c1)C2=COCC2 271570a_100000118173_100000211634 [0,1,0,1,0,0|0,0,2]=4 1378 B13R2.13 Oc1cccc(c1)c2cc[nH]c2 271570a_100000102155_100000211634 [0,1,0,1,0,0|1,0,1]=4 1379 B13R2.13 Oc1cccc(c1)c2ccoc2 271570a_100000693801_100011215275 [0,1,0,1,0,0|0,0,2]=4 1380 B13R2.13 Oc1cccc(c1)c2ccoc2 271570a_100011218838_100000211634 [0,1,0,1,0,0|0,0,2]=4 1381 B13R2.13 Oc1cccc(c1)c2ccsc2 271570a_100000693801_100000738268 [0,1,0,1,0,0|0,1,1]=4 1382 B13R2.13 Oc1cccc(c1)c2ccsc2 271570a_100011934443_100000211634 [0,1,0,1,0,0|0,1,1]=4 1383 B13R2.13 Oc1cccc(c1)c2cn[nH]c2 271570a_100000041997_100000211634 [0,1,0,1,0,0|2,0,0]=4 1384 B13R2.13 Oc1cccc(c1)c2cn[nH]c2 271570a_100000693801_100000238712 [0,1,0,1,0,0|2,0,0]=4 1385 B13R2.13 Oc1cccc(c1)c2cn[nH]c2 271570a_203496583355_100011219158 [0,1,0,1,0,0|2,0,0]=4 1386 B13R2.13 Oc1cccc(c1)c2cnoc2 271570a_100000693801_100009815712 [0,1,0,1,0,0|1,0,1]=4 1387 B13R2.13 Oc1cccc(c1)c2cnsc2 271570a_100000693801_100009815736 [0,1,0,1,0,0|1,1,0]=4 1388 B13R2.13 [S]c1cccc(c1)C2=CCCC2 271570a_100000089523_114929384022 [0,1,0,1,0,0|1,0,1]=4 1389 B13R2.13 [S]c1cccc(c1)C2=CCOC2 271570a_100009872500_114929384022 [0,1,0,1,0,0|0,0,2]=4 1390 B13R2.13 [S]c1cccc(c1)C2=COCC2 271570a_100000118173_114929384022 [0,1,0,1,0,0|0,0,2]=4 1391 B13R2.13 [S]c1cccc(c1)c2cc[nH]c2 271570a_100000102155_114929384022 [0,1,0,1,0,0|1,0,1]=4 1392 B13R2.13 [S]c1cccc(c1)c2ccoc2 271570a_100011218838_114929384022 [0,1,0,1,0,0|0,0,2]=4 1393 B13R2.13 [S]c1cccc(c1)c2ccsc2 271570a_100011934443_114929384022 [0,1,0,1,0,0|0,1,1]=4 1394 B13R2.13 [S]c1cccc(c1)c2cn[nH]c2 271570a_100000041997_114929384022 [0,1,0,1,0,0|2,0,0]=4 1395 B13R2.2136 C=Cc1csc2c1cc(cc2)N 271570a_100011290941_100011178648 [0,1,0,1,0,0|0,1,1]=4 1396 B13R2.2136 CSc1csc2c1cc(cc2)N 62a_100011178648_200000210301 [0,1,0,1,0,0|1,1,0]=4 1397 B13R2.2136 CSc1csc2c1cc(cc2)N 62a_200000210301_100011178648 [0,1,0,1,0,0|1,1,0]=4 1398 B13R2.2136 O=Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000187850 [0,1,0,1,0,0|1,0,0]=3 1399 B13R2.2136 O=Cc1c[nH]c2c1cc(cn2)O 271570a_203496583355_100012356305 [0,1,0,1,0,0|2,0,0]=4 1400 B13R2.2136 O=Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814807 [0,1,0,1,0,0|1,0,0]=3 1401 B13R2.2136 O=Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100009888965 [0,1,0,1,0,0|2,0,0]=4 1402 B13R2.2136 [13CH3]Sc1csc2c1cc(cc2)N 62a_100011178648_200025704644 [0,1,0,1,0,0|1,1,0]=4 1403 B13R2.2136 [13CH3]Sc1csc2c1cc(cc2)N 62a_200025704644_100011178648 [0,1,0,1,0,0|1,1,0]=4 1404 B13R2.18 Brc1ccccc1C2=CCCC2 271570a_100000089523_100000695589 [0,1,0,1,0,0|1,0,1]=4 1405 B13R2.18 Brc1ccccc1C2=CCOC2 271570a_100009872500_100000695589 [0,1,0,1,0,0|0,0,2]=4 1406 B13R2.18 Brc1ccccc1C2=COCC2 271570a_100000118173_100000695589 [0,1,0,1,0,0|0,0,2]=4 1407 B13R2.18 Brc1ccccc1c2cc[nH]c2 271570a_100000102155_100000695589 [0,1,0,1,0,0|1,0,1]=4 1408 B13R2.18 Brc1ccccc1c2ccoc2 271570a_100011218838_100000695589 [0,1,0,1,0,0|0,0,2]=4 1409 B13R2.18 Brc1ccccc1c2ccsc2 271570a_100011934443_100000695589 [0,1,0,1,0,0|0,1,1]=4 1410 B13R2.18 Brc1ccccc1c2cn[nH]c2 271570a_100000041997_100000695589 [0,1,0,1,0,0|2,0,0]=4 1411 B13R2.18 Cc1ccccc1C2=CCCC2 271570a_100000089523_100000210755 [0,1,0,1,0,0|1,0,1]=4 1412 B13R2.18 Cc1ccccc1C2=CCOC2 271570a_100009872500_100000210755 [0,1,0,1,0,0|0,0,2]=4 1413 B13R2.18 Cc1ccccc1C2=COCC2 271570a_100000118173_100000210755 [0,1,0,1,0,0|0,0,2]=4 1414 B13R2.18 Cc1ccccc1c2cc[nH]c2 271570a_100000102155_100000210755 [0,1,0,1,0,0|1,0,1]=4 1415 B13R2.18 Cc1ccccc1c2ccoc2 271570a_100000747142_100011215275 [0,1,0,1,0,0|0,0,2]=4 1416 B13R2.18 Cc1ccccc1c2ccoc2 271570a_100011218838_100000210755 [0,1,0,1,0,0|0,0,2]=4 1417 B13R2.18 Cc1ccccc1c2ccsc2 271570a_100000747142_100000738268 [0,1,0,1,0,0|0,1,1]=4 1418 B13R2.18 Cc1ccccc1c2ccsc2 271570a_100011934443_100000210755 [0,1,0,1,0,0|0,1,1]=4 1419 B13R2.18 Cc1ccccc1c2cn[nH]c2 271570a_100000041997_100000210755 [0,1,0,1,0,0|2,0,0]=4 1420 B13R2.18 Cc1ccccc1c2cn[nH]c2 271570a_100000747142_100000238712 [0,1,0,1,0,0|2,0,0]=4 1421 B13R2.18 Cc1ccccc1c2cnoc2 271570a_100000747142_100009815712 [0,1,0,1,0,0|1,0,1]=4 1422 B13R2.18 Cc1ccccc1c2cnsc2 271570a_100000747142_100009815736 [0,1,0,1,0,0|1,1,0]=4 1423 B13R2.18 Clc1ccccc1C2=CCCC2 271570a_100000089523_100000764095 [0,1,0,1,0,0|1,0,1]=4 1424 B13R2.18 Clc1ccccc1C2=CCOC2 271570a_100009872500_100000764095 [0,1,0,1,0,0|0,0,2]=4 1425 B13R2.18 Clc1ccccc1C2=COCC2 271570a_100000118173_100000764095 [0,1,0,1,0,0|0,0,2]=4 1426 B13R2.18 Clc1ccccc1c2cc[nH]c2 271570a_100000102155_100000764095 [0,1,0,1,0,0|1,0,1]=4 1427 B13R2.18 Clc1ccccc1c2ccoc2 271570a_100011218838_100000764095 [0,1,0,1,0,0|0,0,2]=4 1428 B13R2.18 Clc1ccccc1c2ccoc2 271570a_100011934419_100011215275 [0,1,0,1,0,0|0,0,2]=4 1429 B13R2.18 Clc1ccccc1c2ccsc2 271570a_100011934419_100000738268 [0,1,0,1,0,0|0,1,1]=4 1430 B13R2.18 Clc1ccccc1c2ccsc2 271570a_100011934443_100000764095 [0,1,0,1,0,0|0,1,1]=4 1431 B13R2.18 Clc1ccccc1c2cn[nH]c2 271570a_100000041997_100000764095 [0,1,0,1,0,0|2,0,0]=4 1432 B13R2.18 Clc1ccccc1c2cn[nH]c2 271570a_100011934419_100000238712 [0,1,0,1,0,0|2,0,0]=4 1433 B13R2.18 Clc1ccccc1c2cnoc2 271570a_100011934419_100009815712 [0,1,0,1,0,0|1,0,1]=4 1434 B13R2.18 Clc1ccccc1c2cnsc2 271570a_100011934419_100009815736 [0,1,0,1,0,0|1,1,0]=4 1435 B13R2.18 Fc1ccccc1C2=CCCC2 271570a_100000089523_100011215700 [0,1,0,1,0,0|1,0,1]=4 1436 B13R2.18 Fc1ccccc1C2=CCOC2 271570a_100009872500_100011215700 [0,1,0,1,0,0|0,0,2]=4 1437 B13R2.18 Fc1ccccc1C2=COCC2 271570a_100000118173_100011215700 [0,1,0,1,0,0|0,0,2]=4 1438 B13R2.18 Fc1ccccc1c2cc[nH]c2 271570a_100000102155_100011215700 [0,1,0,1,0,0|1,0,1]=4 1439 B13R2.18 Fc1ccccc1c2ccoc2 271570a_100000761933_100011215275 [0,1,0,1,0,0|0,0,2]=4 1440 B13R2.18 Fc1ccccc1c2ccoc2 271570a_100011218838_100011215700 [0,1,0,1,0,0|0,0,2]=4 1441 B13R2.18 Fc1ccccc1c2ccsc2 271570a_100000761933_100000738268 [0,1,0,1,0,0|0,1,1]=4 1442 B13R2.18 Fc1ccccc1c2ccsc2 271570a_100011934443_100011215700 [0,1,0,1,0,0|0,1,1]=4 1443 B13R2.18 Fc1ccccc1c2cn[nH]c2 271570a_100000041997_100011215700 [0,1,0,1,0,0|2,0,0]=4 1444 B13R2.18 Fc1ccccc1c2cn[nH]c2 271570a_100000761933_100000238712 [0,1,0,1,0,0|2,0,0]=4 1445 B13R2.18 Fc1ccccc1c2cnoc2 271570a_100000761933_100009815712 [0,1,0,1,0,0|1,0,1]=4 1446 B13R2.18 Fc1ccccc1c2cnsc2 271570a_100000761933_100009815736 [0,1,0,1,0,0|1,1,0]=4 1447 B13R2.18 Ic1ccccc1c2ccoc2 271570a_100000069755_100011215275 [0,1,0,1,0,0|0,0,2]=4 1448 B13R2.18 Ic1ccccc1c2ccsc2 271570a_100000069755_100000738268 [0,1,0,1,0,0|0,1,1]=4 1449 B13R2.18 Ic1ccccc1c2cn[nH]c2 271570a_100000069755_100000238712 [0,1,0,1,0,0|2,0,0]=4 1450 B13R2.18 Ic1ccccc1c2cnoc2 271570a_100000069755_100009815712 [0,1,0,1,0,0|1,0,1]=4 1451 B13R2.18 Ic1ccccc1c2cnsc2 271570a_100000069755_100009815736 [0,1,0,1,0,0|1,1,0]=4 1452 B13R2.18 Nc1ccccc1C2=CCCC2 271570a_100000089523_100000210017 [0,1,0,1,0,0|1,0,1]=4 1453 B13R2.18 Nc1ccccc1C2=CCOC2 271570a_100009872500_100000210017 [0,1,0,1,0,0|0,0,2]=4 1454 B13R2.18 Nc1ccccc1C2=COCC2 271570a_100000118173_100000210017 [0,1,0,1,0,0|0,0,2]=4 1455 B13R2.18 Nc1ccccc1c2cc[nH]c2 271570a_100000102155_100000210017 [0,1,0,1,0,0|1,0,1]=4 1456 B13R2.18 Nc1ccccc1c2ccoc2 271570a_100000034411_100011215275 [0,1,0,1,0,0|0,0,2]=4 1457 B13R2.18 Nc1ccccc1c2ccoc2 271570a_100011218838_100000210017 [0,1,0,1,0,0|0,0,2]=4 1458 B13R2.18 Nc1ccccc1c2ccsc2 271570a_100000034411_100000738268 [0,1,0,1,0,0|0,1,1]=4 1459 B13R2.18 Nc1ccccc1c2ccsc2 271570a_100011934443_100000210017 [0,1,0,1,0,0|0,1,1]=4 1460 B13R2.18 Nc1ccccc1c2cn[nH]c2 271570a_100000034411_100000238712 [0,1,0,1,0,0|2,0,0]=4 1461 B13R2.18 Nc1ccccc1c2cn[nH]c2 271570a_100000041997_100000210017 [0,1,0,1,0,0|2,0,0]=4 1462 B13R2.18 Nc1ccccc1c2cnoc2 271570a_100000034411_100009815712 [0,1,0,1,0,0|1,0,1]=4 1463 B13R2.18 Nc1ccccc1c2cnsc2 271570a_100000034411_100009815736 [0,1,0,1,0,0|1,1,0]=4 1464 B13R2.18 Oc1ccccc1C2=CCCC2 271570a_100000089523_100000739446 [0,1,0,1,0,0|1,0,1]=4 1465 B13R2.18 Oc1ccccc1C2=CCOC2 271570a_100009872500_100000739446 [0,1,0,1,0,0|0,0,2]=4 1466 B13R2.18 Oc1ccccc1C2=COCC2 271570a_100000118173_100000739446 [0,1,0,1,0,0|0,0,2]=4 1467 B13R2.18 Oc1ccccc1c2cc[nH]c2 271570a_100000102155_100000739446 [0,1,0,1,0,0|1,0,1]=4 1468 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100000035170_100011215275 [0,1,0,1,0,0|0,0,2]=4 1469 B13R2.18 Oc1ccccc1c2ccoc2 271570a_100011218838_100000739446 [0,1,0,1,0,0|0,0,2]=4 1470 B13R2.18 Oc1ccccc1c2ccsc2 271570a_100000035170_100000738268 [0,1,0,1,0,0|0,1,1]=4 1471 B13R2.18 Oc1ccccc1c2ccsc2 271570a_100011934443_100000739446 [0,1,0,1,0,0|0,1,1]=4 1472 B13R2.18 Oc1ccccc1c2cn[nH]c2 271570a_100000035170_100000238712 [0,1,0,1,0,0|2,0,0]=4 1473 B13R2.18 Oc1ccccc1c2cn[nH]c2 271570a_100000041997_100000739446 [0,1,0,1,0,0|2,0,0]=4 1474 B13R2.18 Oc1ccccc1c2cnoc2 271570a_100000035170_100009815712 [0,1,0,1,0,0|1,0,1]=4 1475 B13R2.18 Oc1ccccc1c2cnsc2 271570a_100000035170_100009815736 [0,1,0,1,0,0|1,1,0]=4 1476 B13R2.135 C=Cc1c(nc2n1cccc2)C 271570a_100011290941_100009816614 [0,1,0,1,0,0|2,0,0]=4 1477 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,1,0,0|1,0,0]=3 1478 B13R2.135 C=Cc1c(sc2c1cccc2)C 271570a_100011290941_100010002616 [0,1,0,1,0,0|1,0,0]=3 1479 B13R2.135 C=Cc1c2ccccc2nn1C 271570a_100011290941_100010163699 [0,1,0,1,0,0|2,0,0]=4 1480 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,1,0,0|1,0,1]=4 1481 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,1,0,0|1,0,1]=4 1482 B13R2.135 CSc1c(sc2c1cccc2)C 62a_100010002616_200000210301 [0,1,0,1,0,0|1,1,0]=4 1483 B13R2.135 CSc1c(sc2c1cccc2)C 62a_200000210301_100010002616 [0,1,0,1,0,0|1,1,0]=4 1484 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,1,0,0|1,0,1]=4 1485 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_100010002616_200025704644 [0,1,0,1,0,0|1,1,0]=4 1486 B13R2.135 Cc1sc2ccccc2c1S[13CH3] 62a_200025704644_100010002616 [0,1,0,1,0,0|1,1,0]=4 1487 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,1,0,0|1,0,1]=4 1488 B13R2.2091 O=Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100000693042 [0,1,0,1,0,0|1,0,0]=3 1489 B13R2.2091 O=Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100010212590 [0,1,0,1,0,0|2,0,0]=4 1490 B13R2.72 C=C(C)c1c[nH]c2c1cccn2 271570a_100000694244_100011934613 [0,1,0,1,0,0|2,0,0]=4 1491 B13R2.72 C=C(C)c1c[nH]c2c1ccnc2 271570a_100000694244_100010232032 [0,1,0,1,0,0|2,0,0]=4 1492 B13R2.72 C=C(C)c1c[nH]c2c1cncc2 271570a_100000694244_100011934843 [0,1,0,1,0,0|2,0,0]=4 1493 B13R2.72 C=C(C)c1c[nH]c2c1nccc2 271570a_100000694244_100009817151 [0,1,0,1,0,0|2,0,0]=4 1494 B13R2.72 C=C(C)c1cnc2n1cccc2 271570a_100000694244_100011219245 [0,1,0,1,0,0|2,0,0]=4 1495 B13R2.72 C=C(C)c1cnn2c1cccc2 271570a_100000694244_100009817726 [0,1,0,1,0,0|2,0,0]=4 1496 B13R2.72 C=C(C)c1coc2c1cccc2 271570a_100000694244_100009812202 [0,1,0,1,0,0|0,0,1]=3 1497 B13R2.72 C=C(C)c1coc2c1nccc2 271570a_100000694244_100009889148 [0,1,0,1,0,0|1,0,1]=4 1498 B13R2.72 C=C(C)c1csc2c1cccc2 271570a_100000694244_100009813928 [0,1,0,1,0,0|0,1,0]=3 1499 B13R2.72 C=C(C)c1csc2c1cccn2 271570a_100000694244_100009830249 [0,1,0,1,0,0|1,1,0]=4 1500 B13R2.72 C=C(C)c1csc2c1ccnc2 271570a_100000694244_100009817111 [0,1,0,1,0,0|1,1,0]=4 1501 B13R2.72 C=C(C)c1csc2c1cncc2 271570a_100000694244_100010247091 [0,1,0,1,0,0|1,1,0]=4 1502 B13R2.72 C=C(C)c1csc2c1nccc2 271570a_100000694244_100010247092 [0,1,0,1,0,0|1,1,0]=4 1503 B13R2.72 C=C(C)c1n[nH]c2c1cccc2 271570a_100000694244_100000050141 [0,1,0,1,0,0|2,0,0]=4 1504 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,1,0,1,0,0|0,0,0]=2 1505 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,1,0,1,0,0|0,0,2]=4 1506 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,1,0,1,0,0|0,0,2]=4 1507 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,1,0,1,0,0|0,0,0]=2 1508 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,1,0,1,0,0|0,0,2]=4 1509 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,1,0,1,0,0|0,0,2]=4 1510 B13R2.439 CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_200000210301 [0,1,0,1,0,0|0,0,2]=4 1511 B13R2.439 [13CH3]C(=O)C1(CC1)c2ccccc2 1458a_100000211650_200025704644 [0,1,0,1,0,0|0,0,2]=4 1512 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [1,0,0,0,0,1|0,0,2]=4 1513 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,0,0,0,1|0,0,1]=3 1514 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,0,0,0,1|1,0,1]=4 1515 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,0,0,0,1|1,0,1]=4 1516 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,0,0,0,1|1,0,1]=4 1517 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,0,0,0,1|0,0,1]=3 1518 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,0,0,0,1|0,0,1]=3 1519 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,0,0,0,1|1,0,1]=4 1520 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [1,0,0,0,0,1|1,0,1]=4 1521 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,0,0,0,0,1|0,0,1]=3 1522 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [1,0,0,0,0,1|1,0,1]=4 1523 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [1,0,0,0,0,1|1,0,1]=4 1524 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [1,0,0,0,0,1|1,0,1]=4 1525 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [1,0,0,0,0,1|1,0,1]=4 1526 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [1,0,0,0,0,1|1,0,1]=4 1527 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,0,0,0,1|0,0,1]=3 1528 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,0,0,0,1|0,0,1]=3 1529 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,0,0,0,1|0,0,1]=3 1530 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,0,0,0,1|0,0,1]=3 1531 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,0,0,0,0,1|2,0,0]=4 1532 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,0,0,0,0,1|2,0,0]=4 1533 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,0,0,0,0,1|2,0,0]=4 1534 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,0,0,0,0,1|2,0,0]=4 1535 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,0,0,0,0,1|2,0,0]=4 1536 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,0,0,0,0,1|2,0,0]=4 1537 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,0,0,0,0,1|2,0,0]=4 1538 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,0,0,0,0,1|2,0,0]=4 1539 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,0,0,0,0,1|2,0,0]=4 1540 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,0,0,0,1|1,0,0]=3 1541 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,0,0,0,1|1,0,1]=4 1542 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,0,0,0,1|1,0,1]=4 1543 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,0,0,0,1|1,0,1]=4 1544 B13R1.417 C=CC(=NNc1ccccc1)CC 4a_100015195140_100000747743 [0,0,0,0,0,2|1,0,1]=4 1545 B13R1.417 O=CC(C=O)NCc1ccccc1 2230a_100015324214_100000736813 [0,0,0,0,0,2|1,0,1]=4 1546 B13R1.417 O=CC(C=O)NCc1ccccc1 34a_100015324214_100000736813 [0,0,0,0,0,2|1,0,1]=4 1547 B13R1.417 O=CC(C=O)OCc1ccccc1 34a_100000210790_100000736813 [0,0,0,0,0,2|1,0,1]=4 1548 B13R1.417 O=CC(C=O)SCc1ccccc1 62a_100000211182_100000736813 [0,0,0,0,0,2|1,0,1]=4 1549 B13R1.417 O=CC(C=O)SCc1ccccc1 62a_100000736813_100015291786 [0,0,0,0,0,2|1,0,1]=4