0 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.713 C=CC(NC(C)C)c1ccccc1 2230a_100138425928_200000085779 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_100000210206_200000085779 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.713 C=CC(SC(C)C)c1ccccc1 62a_200000085779_100000210206 [0,0,0,0,0,0|2,0,1]=3 7 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,0,0,0,0,0|1,0,3]=4 9 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,0,0,0,0,0|1,0,3]=4 10 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,0,0,0,0,0|2,0,2]=4 11 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,0,0,0,0,0|2,0,2]=4 12 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,0,0,0,0,0|2,0,2]=4 13 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,0,0,0,0,0|2,0,2]=4 14 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,0,0,0,0,0|2,0,2]=4 15 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,0,0,0,0,0|2,0,2]=4 16 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,0,0,0,0,0|2,0,2]=4 17 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,0,0,0,0,0|2,0,2]=4 18 B13R1.713 CCN(CC(C)C)c1ccccc1 2230a_100000210013_100000210760 [0,0,0,0,0,0|2,0,2]=4 19 B13R1.713 CCN(CC(C)C)c1ccccc1 269982a_100000210013_100000210624 [0,0,0,0,0,0|2,0,2]=4 20 B13R1.713 CCN(CC(C)C)c1ccccc1 34a_100000210013_100000210624 [0,0,0,0,0,0|2,0,2]=4 21 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,0,0,0,0,0|2,0,2]=4 22 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [1,0,0,0,0,0|2,0,1]=4 25 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [1,0,0,0,0,0|2,0,1]=4 27 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [1,0,0,0,0,0|0,0,3]=4 29 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [1,0,0,0,0,0|1,0,2]=4 30 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [1,0,0,0,0,0|1,0,2]=4 31 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,0,0,0,0,0|1,0,2]=4 32 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [1,0,0,0,0,0|0,0,1]=2 33 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [1,0,0,0,0,0|1,0,2]=4 34 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [1,0,0,0,0,0|1,0,2]=4 35 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [1,0,0,0,0,0|1,0,2]=4 36 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [1,0,0,0,0,0|1,0,2]=4 37 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [1,0,0,0,0,0|1,0,0]=2 39 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [1,0,0,0,0,0|1,0,0]=2 40 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [1,0,0,0,0,0|1,0,2]=4 42 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [1,0,0,0,0,0|1,0,2]=4 43 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [1,0,0,0,0,0|1,0,2]=4 44 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [1,0,0,0,0,0|1,0,2]=4 45 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [1,0,0,0,0,0|1,0,2]=4 46 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [1,0,0,0,0,0|1,0,2]=4 47 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [1,0,0,0,0,0|1,0,2]=4 48 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [1,0,0,0,0,0|1,0,2]=4 49 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [1,0,0,0,0,0|1,0,1]=3 50 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [1,0,0,0,0,0|1,0,1]=3 51 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [1,0,0,0,0,0|2,0,1]=4 53 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [1,0,0,0,0,0|2,0,1]=4 54 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [1,0,0,0,0,0|2,0,1]=4 55 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [1,0,0,0,0,0|2,0,1]=4 56 B14R1.515 C=CCC(OC(C)C)c1ccccc1 34a_100000687291_100000210206 [0,1,0,0,0,0|2,0,1]=4 57 B14R1.515 C=CCC(OC(C)C)c1ccccc1 7a_100000687291_100000210206 [0,1,0,0,0,0|2,0,1]=4 58 B14R1.515 C=CCN(CC(C)C)c1ccccc1 2230a_100000211662_100000210760 [0,1,0,0,0,0|2,0,1]=4 59 B14R1.515 C=CCN(CC(C)C)c1ccccc1 269982a_100000211662_100000210624 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.515 C=CCN(CC(C)C)c1ccccc1 34a_100000211662_100000210624 [0,1,0,0,0,0|2,0,1]=4 61 B14R1.544 C=CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_200000085779 [0,1,0,0,0,0|2,0,1]=4 62 B14R1.544 C=CC(OC(C)(C)C)c1ccccc1 34a_100011215659_100000210625 [0,1,0,0,0,0|2,0,1]=4 63 B14R1.544 C=CC(SC(C)(C)C)c1ccccc1 62a_100000211941_200000085779 [0,1,0,0,0,0|2,0,1]=4 64 B14R1.544 C=CC(SC(C)(C)C)c1ccccc1 62a_200000085779_100000211941 [0,1,0,0,0,0|2,0,1]=4 65 B14R1.1027 C=CC(c1ccccc1)N(C)C(C)C 269982a_200000211004_200000085779 [0,1,0,0,0,0|2,0,1]=4 66 B14R1.1027 CC(C)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000210206 [0,1,0,0,0,0|0,0,3]=4 67 B14R1.1027 CCC(C(=O)C(C)C)c1ccccc1 1458a_100000211302_100000210206 [0,1,0,0,0,0|1,0,2]=4 68 B14R1.1027 CCN(C(=O)C(C)C)c1ccccc1 11a_100000210013_100000210198 [0,1,0,0,0,0|2,0,1]=4 69 B14R1.1027 CCN(C(=O)C(C)C)c1ccccc1 1626a_100000210013_100000210198 [0,1,0,0,0,0|2,0,1]=4 70 B14R1.1027 CCN(C(=O)C(C)C)c1ccccc1 22a_100000210013_100000210198 [0,1,0,0,0,0|2,0,1]=4 71 B14R1.1027 CO[C@@H](C(=O)C(C)C)c1ccccc1 1458a_100000698336_100000210206 [0,1,0,0,0,0|2,0,1]=4 72 B14R1.3297 C=CC(NC(C)CC)c1ccccc1 2230a_100000209981_200000085779 [0,1,0,0,0,0|2,0,1]=4 73 B14R1.3297 C=CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_200000085779 [0,1,0,0,0,0|2,0,1]=4 74 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 34a_100011215659_100011215416 [0,1,0,0,0,0|2,0,1]=4 75 B14R1.3297 C=CC(OC(C)CC)c1ccccc1 7a_100011215659_100000758301 [0,1,0,0,0,0|2,0,1]=4 76 B14R1.3297 C=CC(OC(C)CO)c1ccccc1 34a_100011215659_100012180447 [0,1,0,0,0,0|2,0,1]=4 77 B14R1.3297 C=CC(OC(C)CO)c1ccccc1 7a_100011215659_100012180447 [0,1,0,0,0,0|2,0,1]=4 78 B14R1.3297 C=CC(SC(C)CC)c1ccccc1 62a_100000758301_200000085779 [0,1,0,0,0,0|2,0,1]=4 79 B14R1.3297 C=CC(SC(C)CC)c1ccccc1 62a_200000085779_100000758301 [0,1,0,0,0,0|2,0,1]=4 80 B14R1.3297 C=CC(SC(C)CO)c1ccccc1 62a_100012180447_200000085779 [0,1,0,0,0,0|2,0,1]=4 81 B14R1.3297 C=CC(SC(C)OC)c1ccccc1 62a_100009879195_200000085779 [0,1,0,0,0,0|2,0,1]=4 82 B14R1.3297 C=CC(SC(C)OC)c1ccccc1 62a_200000085779_100009879195 [0,1,0,0,0,0|2,0,1]=4 83 B14R1.3297 C=CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_200000085779 [0,1,0,0,0,0|2,0,1]=4 84 B14R1.3297 C=CC(S[C@H](C)CO)c1ccccc1 62a_200000085779_100016084084 [0,1,0,0,0,0|2,0,1]=4 85 B14R1.6455 C=C(C)C(OC(C)C)c1ccccc1 34a_200011216824_100000210206 [0,1,0,0,0,0|2,0,1]=4 86 B14R1.6455 C=C(C)C(OC(C)C)c1ccccc1 7a_200011216824_100000210206 [0,1,0,0,0,0|2,0,1]=4 87 B14R1.6455 CC(=O)C(NC(C)C)c1ccccc1 2230a_100138425928_100009888967 [0,1,0,0,0,0|1,0,1]=3 88 B14R1.6455 CC(=O)C(SC(C)C)c1ccccc1 62a_100000210206_100009888967 [0,1,0,0,0,0|1,0,1]=3 89 B14R1.6455 CC(=O)C(SC(C)C)c1ccccc1 62a_100009888967_100000210206 [0,1,0,0,0,0|1,0,1]=3 90 B14R1.6455 CC(C)NC(C(=O)N)c1ccccc1 2230a_100138425928_100000188848 [0,1,0,0,0,0|1,0,1]=3 91 B14R1.6455 CC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100000210206 [0,1,0,0,0,0|1,0,1]=3 92 B14R1.6455 CC(C)NC(C(=O)O)c1ccccn1 269956a_200016167988_100000210206 [0,1,0,0,0,0|2,0,1]=4 93 B14R1.6455 CC(C)N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210206 [0,1,0,0,0,0|1,0,1]=3 94 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 34a_100011200849_100000210206 [0,1,0,0,0,0|1,0,1]=3 95 B14R1.6455 CC(C)OC(C(=O)N)c1ccccc1 7a_100011200849_100000210206 [0,1,0,0,0,0|1,0,1]=3 96 B14R1.6455 CC(C)SC(C(=O)N)c1ccccc1 62a_100000188848_100000210206 [0,1,0,0,0,0|1,0,1]=3 97 B14R1.6455 CC(C)SC(C(=O)N)c1ccccc1 62a_100000210206_100000188848 [0,1,0,0,0,0|1,0,1]=3 98 B14R2.2 CC(=Cc1c[nH]c2c1cccn2)C 271570a_100102525489_100011934613 [0,0,0,1,0,0|2,0,1]=4 99 B14R2.2 CC(=Cc1c[nH]c2c1ccnc2)C 271570a_100102525489_100010232032 [0,0,0,1,0,0|2,0,1]=4 100 B14R2.2 CC(=Cc1c[nH]c2c1cncc2)C 271570a_100102525489_100011934843 [0,0,0,1,0,0|2,0,1]=4 101 B14R2.2 CC(=Cc1c[nH]c2c1nccc2)C 271570a_100102525489_100009817151 [0,0,0,1,0,0|2,0,1]=4 102 B14R2.2 CC(=Cc1cnc2n1cccc2)C 271570a_100102525489_100011219245 [0,0,0,1,0,0|2,0,1]=4 103 B14R2.2 CC(=Cc1cnn2c1cccc2)C 271570a_100102525489_100009817726 [0,0,0,1,0,0|2,0,1]=4 104 B14R2.2 CC(=Cc1coc2c1cccc2)C 271570a_100102525489_100009812202 [0,0,0,1,0,0|0,0,2]=3 105 B14R2.2 CC(=Cc1coc2c1nccc2)C 271570a_100102525489_100009889148 [0,0,0,1,0,0|1,0,2]=4 106 B14R2.2 CC(=Cc1csc2c1cccc2)C 271570a_100102525489_100009813928 [0,0,0,1,0,0|0,1,1]=3 107 B14R2.2 CC(=Cc1csc2c1cccn2)C 271570a_100102525489_100009830249 [0,0,0,1,0,0|1,1,1]=4 108 B14R2.2 CC(=Cc1csc2c1ccnc2)C 271570a_100102525489_100009817111 [0,0,0,1,0,0|1,1,1]=4 109 B14R2.2 CC(=Cc1csc2c1cncc2)C 271570a_100102525489_100010247091 [0,0,0,1,0,0|1,1,1]=4 110 B14R2.2 CC(=Cc1csc2c1nccc2)C 271570a_100102525489_100010247092 [0,0,0,1,0,0|1,1,1]=4 111 B14R2.2 CC(=Cc1n[nH]c2c1cccc2)C 271570a_100102525489_100000050141 [0,0,0,1,0,0|2,0,1]=4 112 B14R2.2 CC(C)Oc1csc2c1cccc2 34a_100000077758_100000210206 [0,0,0,1,0,0|1,1,0]=3 113 B14R2.2 CC(C)Oc1csc2c1cccc2 7a_100000077758_100000210206 [0,0,0,1,0,0|1,1,0]=3 114 B14R2.2 CC(C)Sc1c[nH]c2c1cccn2 62a_100000210206_100011934613 [0,0,0,1,0,0|3,0,0]=4 115 B14R2.2 CC(C)Sc1c[nH]c2c1ccnc2 62a_100000210206_100010232032 [0,0,0,1,0,0|3,0,0]=4 116 B14R2.2 CC(C)Sc1c[nH]c2c1cncc2 62a_100000210206_100000753697 [0,0,0,1,0,0|3,0,0]=4 117 B14R2.2 CC(C)Sc1c[nH]c2c1nccc2 62a_100000210206_100009817151 [0,0,0,1,0,0|3,0,0]=4 118 B14R2.2 CC(C)Sc1cnc2n1cccc2 62a_100000210206_100011219245 [0,0,0,1,0,0|3,0,0]=4 119 B14R2.2 CC(C)Sc1cnn2c1cccc2 62a_100000210206_100009817726 [0,0,0,1,0,0|3,0,0]=4 120 B14R2.2 CC(C)Sc1coc2c1cccc2 62a_100000210206_100009812202 [0,0,0,1,0,0|1,0,1]=3 121 B14R2.2 CC(C)Sc1coc2c1nccc2 62a_100000210206_100009889148 [0,0,0,1,0,0|2,0,1]=4 122 B14R2.2 CC(C)Sc1csc2c1cccc2 62a_100000210206_100009813928 [0,0,0,1,0,0|1,1,0]=3 123 B14R2.2 CC(C)Sc1csc2c1cccn2 62a_100000210206_100009830249 [0,0,0,1,0,0|2,1,0]=4 124 B14R2.2 CC(C)Sc1csc2c1cccn2 62a_100009830249_100000210206 [0,0,0,1,0,0|2,1,0]=4 125 B14R2.2 CC(C)Sc1csc2c1ccnc2 62a_100000210206_100009817111 [0,0,0,1,0,0|2,1,0]=4 126 B14R2.2 CC(C)Sc1csc2c1ccnc2 62a_100009817111_100000210206 [0,0,0,1,0,0|2,1,0]=4 127 B14R2.2 CC(C)Sc1csc2c1cncc2 62a_100000210206_100010247091 [0,0,0,1,0,0|2,1,0]=4 128 B14R2.2 CC(C)Sc1csc2c1cncc2 62a_100010247091_100000210206 [0,0,0,1,0,0|2,1,0]=4 129 B14R2.2 CC(C)Sc1csc2c1nccc2 62a_100000210206_100010247092 [0,0,0,1,0,0|2,1,0]=4 130 B14R2.2 CC(C)Sc1n[nH]c2c1cccc2 62a_100000210206_100000050141 [0,0,0,1,0,0|3,0,0]=4 131 B14R2.2 CC(C)Sc1noc2c1cccc2 62a_100000210206_200000703156 [0,0,0,1,0,0|2,0,1]=4 132 B14R2.2 CC(C)Sc1noc2c1cccc2 62a_200000703156_100000210206 [0,0,0,1,0,0|2,0,1]=4 133 B14R2.2 CN(C)Cc1coc2c1cccc2 270004a_100102631434_100000688544 [0,0,0,1,0,0|1,0,2]=4 134 B14R2.2 CN(C)Cc1csc2c1cccc2 2230a_100102631434_200000742921 [0,0,0,1,0,0|1,1,1]=4 135 B14R2.2 CN(C)Cc1csc2c1cccc2 269982a_100102631434_200000742921 [0,0,0,1,0,0|1,1,1]=4 136 B14R2.2 CN(C)Cc1csc2c1cccc2 270004a_100102631434_100000239721 [0,0,0,1,0,0|1,1,1]=4 137 B14R2.21 C[n+]1cccc(c1)c2ccccc2 271570a_100011218836_100009996589 [0,0,0,1,0,0|2,0,1]=4 138 B14R2.21 Cc1cc(ccn1)c2ccccc2 271570a_100011218836_100000758586 [0,0,0,1,0,0|2,0,1]=4 139 B14R2.21 Cc1cc(ccn1)c2ccccc2 271570a_100011830414_100000210277 [0,0,0,1,0,0|2,0,1]=4 140 B14R2.21 Cc1cc(cnn1)c2ccccc2 271570a_100010138862_100000210277 [0,0,0,1,0,0|2,0,1]=4 141 B14R2.21 Cc1cccc(c1)c2ccccc2 271570a_100000749446_100000210277 [0,0,0,1,0,0|1,0,2]=4 142 B14R2.21 Cc1cccc(c1)c2ccccc2 271570a_100011218836_100011215228 [0,0,0,1,0,0|1,0,2]=4 143 B14R2.21 Cc1cncc(c1)c2ccccc2 271570a_100011218836_100000760492 [0,0,0,1,0,0|1,0,2]=4 144 B14R2.21 Cc1cncc(c1)c2ccccc2 271570a_100012355712_100000210277 [0,0,0,1,0,0|1,0,2]=4 145 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 271570a_100010068963_100000210277 [0,0,0,1,0,0|2,0,1]=4 146 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 271570a_100011218836_100000688054 [0,0,0,1,0,0|2,0,1]=4 147 B14R2.598 Cc1nn(cc1c2ccccc2)C 271570a_100011218836_100011996311 [0,0,0,1,0,0|3,0,0]=4 148 B14R2.598 Cc1nn(cc1c2ccccc2)C 271570a_100011935086_100000210277 [0,0,0,1,0,0|3,0,0]=4 149 B14R2.598 Cn1cc(c(n1)N)c2ccccc2 271570a_100011218836_100010776223 [0,0,0,1,0,0|3,0,0]=4 150 B14R2.1146 C=Cc1cc(nc2c1cccc2)C 271570a_100011290941_100000764982 [0,0,0,1,0,0|2,0,1]=4 151 B14R2.1256 C=CC(OC1CC1)c2ccccc2 34a_100011215659_100000211595 [0,0,0,1,0,0|2,0,1]=4 152 B14R2.1256 C=CC(SC1CC1)c2ccccc2 62a_200000085779_100000211595 [0,0,0,1,0,0|2,0,1]=4 153 B12R1.478 C=CC(c1ccccc1)N(C)C 2230a_100102631434_200000085779 [0,0,0,0,1,0|2,0,1]=4 154 B12R1.478 C=CC(c1ccccc1)N(C)C 269982a_100102631434_200000085779 [0,0,0,0,1,0|2,0,1]=4 155 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,0,0,0,1,0|2,0,1]=4 156 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,0,0,0,1,0|2,0,1]=4 157 B12R1.478 CC(C)N(CF)c1ccccc1 269982a_100000210572_100015361967 [0,0,0,0,1,0|2,0,1]=4 158 B12R1.478 CC(C)N(CF)c1ccccc1 34a_100000210572_100015361967 [0,0,0,0,1,0|2,0,1]=4 159 B12R1.478 CC(C)N(CF)c1ccccc1 7a_100000210572_100015361967 [0,0,0,0,1,0|2,0,1]=4 160 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,0,0,0,1,0|2,0,1]=4 161 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,0,0,0,1,0|2,0,1]=4 162 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210013_100000210206 [0,0,0,0,1,0|2,0,1]=4 163 B12R1.478 CCN(c1ccccc1)C(C)C 2230a_100000210572_100000210202 [0,0,0,0,1,0|2,0,1]=4 164 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210013_100000210206 [0,0,0,0,1,0|2,0,1]=4 165 B12R1.478 CCN(c1ccccc1)C(C)C 269982a_100000210572_100000204670 [0,0,0,0,1,0|2,0,1]=4 166 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210013_100000210206 [0,0,0,0,1,0|2,0,1]=4 167 B12R1.478 CCN(c1ccccc1)C(C)C 34a_100000210572_100000210202 [0,0,0,0,1,0|2,0,1]=4 168 B12R1.478 CCN(c1ccccc1)C(C)C 7a_100000210572_100000210202 [0,0,0,0,1,0|2,0,1]=4 169 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,0,0,0,1,0|2,0,1]=4 170 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,0,0,0,1,0|2,0,1]=4 171 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,0,0,0,1,0|2,0,1]=4 172 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,0,0,0,1,0|2,0,1]=4 173 B14R1.540 C=CC(=NNC(C)C)c1ccccc1 4a_100000741168_200000750708 [0,0,0,0,0,1|2,0,0]=3 174 B14R1.540 C=CC(NCC(C)C)c1ccccc1 2230a_100000210953_200000085779 [0,0,0,0,0,1|1,0,2]=4 175 B14R1.540 C=CC(OCC(C)C)c1ccccc1 34a_100011215659_100000210624 [0,0,0,0,0,1|1,0,2]=4 176 B14R1.540 C=CC(OCC(C)C)c1ccccc1 7a_100011215659_100000210760 [0,0,0,0,0,1|1,0,2]=4 177 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_100000210624_200000085779 [0,0,0,0,0,1|1,0,2]=4 178 B14R1.540 C=CC(SCC(C)C)c1ccccc1 62a_200000085779_100000210760 [0,0,0,0,0,1|1,0,2]=4 179 B14R1.540 CC(C)NN=C(CF)c1ccccc1 4a_100000741168_100000069468 [0,0,0,0,0,1|2,0,1]=4 180 B14R1.540 CC(C)NN=C(CO)c1ccccc1 4a_100000741168_100000748912 [0,0,0,0,0,1|1,0,2]=4 181 B14R1.540 CCC(=NNC(C)C)c1ccccc1 4a_100000741168_100000210124 [0,0,0,0,0,1|2,0,1]=4 182 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [2,0,0,0,0,0|0,0,1]=3 183 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [2,0,0,0,0,0|1,0,0]=3 184 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [2,0,0,0,0,0|1,0,0]=3 185 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [2,0,0,0,0,0|1,0,0]=3 186 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [2,0,0,0,0,0|1,0,1]=4 187 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [2,0,0,0,0,0|2,0,0]=4 188 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [2,0,0,0,0,0|1,0,1]=4 189 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [2,0,0,0,0,0|1,0,1]=4 190 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [2,0,0,0,0,0|1,0,1]=4 191 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [2,0,0,0,0,0|1,0,1]=4 192 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [2,0,0,0,0,0|1,0,1]=4 193 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [2,0,0,0,0,0|1,0,1]=4 194 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [2,0,0,0,0,0|1,0,1]=4 195 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [2,0,0,0,0,0|0,0,0]=2 196 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [2,0,0,0,0,0|1,0,0]=3 197 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [2,0,0,0,0,0|1,0,0]=3 198 B11R1.91 CC(C)C=Cc1cccnn1 271570a_100016257149_100016991348 [2,0,0,0,0,0|2,0,0]=4 199 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [2,0,0,0,0,0|1,0,0]=3 200 B11R1.91 CC(C)C=Cc1ccncn1 271570a_100016257149_100000703185 [2,0,0,0,0,0|2,0,0]=4 201 B11R1.91 CC(C)C=Cc1ccnnc1 271570a_100016257149_100000732662 [2,0,0,0,0,0|2,0,0]=4 202 B11R1.91 CC(C)C=Cc1cnccn1 271570a_100016257149_100000758340 [2,0,0,0,0,0|2,0,0]=4 203 B11R1.91 CC(C)C=Cc1cncnc1 271570a_100016257149_100011206942 [2,0,0,0,0,0|2,0,0]=4 204 B11R1.91 CC(C)C=Cc1ncccn1 271570a_100016257149_100000211032 [2,0,0,0,0,0|2,0,0]=4 205 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [2,0,0,0,0,0|1,0,1]=4 206 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [2,0,0,0,0,0|1,0,1]=4 207 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [2,0,0,0,0,0|1,0,1]=4 208 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [2,0,0,0,0,0|1,0,1]=4 209 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [2,0,0,0,0,0|1,0,1]=4 210 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [2,0,0,0,0,0|1,0,1]=4 211 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [2,0,0,0,0,0|1,0,1]=4 212 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [2,0,0,0,0,0|1,0,1]=4 213 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [2,0,0,0,0,0|1,0,1]=4 214 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [2,0,0,0,0,0|1,0,1]=4 215 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [2,0,0,0,0,0|1,0,1]=4 216 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [2,0,0,0,0,0|1,0,1]=4 217 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [2,0,0,0,0,0|1,0,1]=4 218 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [2,0,0,0,0,0|1,0,1]=4 219 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [2,0,0,0,0,0|1,0,1]=4 220 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [2,0,0,0,0,0|1,0,0]=3 221 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [2,0,0,0,0,0|2,0,0]=4 222 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [2,0,0,0,0,0|2,0,0]=4 223 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [2,0,0,0,0,0|2,0,0]=4 224 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [2,0,0,0,0,0|1,0,1]=4 225 B13R1.26 C=CC(=NNCC)c1ccccc1 4a_100000756455_200000750708 [1,1,0,0,0,0|2,0,0]=4 226 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [1,1,0,0,0,0|1,0,1]=4 227 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [1,1,0,0,0,0|1,0,1]=4 228 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [1,1,0,0,0,0|1,0,1]=4 229 B13R1.405 CCCN(C(=O)C)c1ccccc1 11a_200011218496_100015343762 [1,1,0,0,0,0|1,0,1]=4 230 B13R1.405 CCCN(C(=O)C)c1ccccc1 1626a_200011218496_100015343762 [1,1,0,0,0,0|1,0,1]=4 231 B13R1.405 CCCN(C(=O)C)c1ccccc1 22a_200011218496_100000070787 [1,1,0,0,0,0|1,0,1]=4 232 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [1,1,0,0,0,0|1,0,1]=4 233 B13R1.405 CCNC(C(=O)N)c1ccccc1 2230a_100015525214_100000188848 [1,1,0,0,0,0|1,0,1]=4 234 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [1,1,0,0,0,0|1,0,1]=4 235 B13R1.405 CCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210202 [1,1,0,0,0,0|1,0,1]=4 236 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [1,1,0,0,0,0|1,0,1]=4 237 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [1,1,0,0,0,0|1,0,1]=4 238 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100000210202_100009888967 [1,1,0,0,0,0|1,0,1]=4 239 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210202 [1,1,0,0,0,0|1,0,1]=4 240 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210202 [1,1,0,0,0,0|1,0,1]=4 241 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000210202_100000188848 [1,1,0,0,0,0|1,0,1]=4 242 B13R1.11 C#CC(C)NC(=O)c1ccccc1 11a_100000707721_100000185807 [1,1,0,0,0,0|1,0,1]=4 243 B13R1.11 C#CC(C)NC(=O)c1ccccc1 1626a_100000707721_100000185807 [1,1,0,0,0,0|1,0,1]=4 244 B13R1.11 C#CC(C)NC(=O)c1ccccc1 240690a_100000707721_100000185807 [1,1,0,0,0,0|1,0,1]=4 245 B13R1.11 C#CC(C)NC(=O)c1ccccc1 527a_100000707721_100000185807 [1,1,0,0,0,0|1,0,1]=4 246 B13R1.11 CC(C#N)NC(=O)c1ccccc1 11a_100000737613_100000185807 [1,1,0,0,0,0|1,0,1]=4 247 B13R1.11 CC(C#N)NC(=O)c1ccccc1 1626a_100000737613_100000185807 [1,1,0,0,0,0|1,0,1]=4 248 B13R1.11 CC(C#N)NC(=O)c1ccccc1 527a_100000737613_100000185807 [1,1,0,0,0,0|1,0,1]=4 249 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [1,1,0,0,0,0|0,0,1]=3 250 B13R1.11 CCC(C)NC(=O)c1ccccc1 11a_100000209981_100000185807 [1,1,0,0,0,0|1,0,0]=3 251 B13R1.11 CCC(C)NC(=O)c1ccccc1 1626a_100000209981_100000185807 [1,1,0,0,0,0|1,0,0]=3 252 B13R1.11 CCC(C)NC(=O)c1ccccc1 240690a_100000209981_100000185807 [1,1,0,0,0,0|1,0,0]=3 253 B13R1.11 CCC(C)NC(=O)c1ccccc1 527a_100000209981_100000185807 [1,1,0,0,0,0|1,0,0]=3 254 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [1,1,0,0,0,0|1,0,1]=4 255 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [1,1,0,0,0,0|1,0,1]=4 256 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [1,1,0,0,0,0|0,0,1]=3 257 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [1,1,0,0,0,0|0,0,1]=3 258 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 11a_100102880703_100000185807 [1,1,0,0,0,0|1,0,0]=3 259 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 1626a_100102880703_100000185807 [1,1,0,0,0,0|1,0,0]=3 260 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 240690a_100102880703_100000185807 [1,1,0,0,0,0|1,0,0]=3 261 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 527a_100102880703_100000185807 [1,1,0,0,0,0|1,0,0]=3 262 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [1,1,0,0,0,0|1,0,0]=3 263 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [1,1,0,0,0,0|1,0,0]=3 264 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210624 [1,1,0,0,0,0|0,0,1]=3 265 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210624 [1,1,0,0,0,0|0,0,1]=3 266 B13R1.132 CC(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000210624 [1,1,0,0,0,0|0,0,1]=3 267 B13R1.132 CC(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000210624 [1,1,0,0,0,0|0,0,1]=3 268 B13R1.132 CC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000210624 [1,1,0,0,0,0|0,0,1]=3 269 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 11a_100138425928_100000185839 [1,1,0,0,0,0|1,0,0]=3 270 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 1626a_100138425928_100000185839 [1,1,0,0,0,0|1,0,0]=3 271 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 240690a_100138425928_100000185839 [1,1,0,0,0,0|1,0,0]=3 272 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 527a_100138425928_100000185839 [1,1,0,0,0,0|1,0,0]=3 273 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 11a_100138425928_100000210187 [1,1,0,0,0,0|1,0,0]=3 274 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 1626a_100138425928_100000210187 [1,1,0,0,0,0|1,0,0]=3 275 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 240690a_100138425928_100000210187 [1,1,0,0,0,0|1,0,0]=3 276 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 527a_100138425928_100000210187 [1,1,0,0,0,0|1,0,0]=3 277 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 11a_100138425928_100000187176 [1,1,0,0,0,0|1,0,0]=3 278 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 1626a_100138425928_100000187176 [1,1,0,0,0,0|1,0,0]=3 279 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 240690a_100138425928_100000187176 [1,1,0,0,0,0|1,0,0]=3 280 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 527a_100138425928_100000187176 [1,1,0,0,0,0|1,0,0]=3 281 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 11a_100138425928_100000187904 [1,1,0,0,0,0|1,0,0]=3 282 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 1626a_100138425928_100000187904 [1,1,0,0,0,0|1,0,0]=3 283 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 240690a_100138425928_100000187904 [1,1,0,0,0,0|1,0,0]=3 284 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 527a_100138425928_100000187904 [1,1,0,0,0,0|1,0,0]=3 285 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 240690a_100138425928_100000212099 [1,1,0,0,0,0|1,0,0]=3 286 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 271570a_203496583355_200000152628 [1,1,0,0,0,0|1,0,0]=3 287 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 527a_100138425928_100000212099 [1,1,0,0,0,0|1,0,0]=3 288 B13R1.132 CC(C)NC(=O)c1ccc(nc1)O 271570a_203496583355_100000157566 [1,1,0,0,0,0|2,0,0]=4 289 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218427 [1,1,0,0,0,0|1,0,1]=4 290 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218427 [1,1,0,0,0,0|1,0,1]=4 291 B13R1.132 CC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218427 [1,1,0,0,0,0|1,0,1]=4 292 B13R1.132 CC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218427 [1,1,0,0,0,0|1,0,1]=4 293 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [1,1,0,0,0,0|1,0,1]=4 294 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Br 269982a_100102631434_100000188085 [1,1,0,0,0,0|1,0,1]=4 295 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Cl 269982a_100102631434_100000211071 [1,1,0,0,0,0|1,0,1]=4 296 B13R1.132 CN(C)CC(=O)c1ccc(cc1)F 269982a_100102631434_100000211279 [1,1,0,0,0,0|1,0,1]=4 297 B13R1.132 CN(C)CC(=O)c1ccc(cc1)I 269982a_100102631434_100011216261 [1,1,0,0,0,0|1,0,1]=4 298 B13R1.132 CN(C)CC(=O)c1ccc(cc1)O 269982a_100102631434_100009814261 [1,1,0,0,0,0|1,0,1]=4 299 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)C 1458a_100000188618_100000210624 [1,1,0,0,0,0|0,0,1]=3 300 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)O 1458a_100000188618_100011218427 [1,1,0,0,0,0|1,0,1]=4 301 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100000211441 [1,1,0,0,0,0|1,0,1]=4 302 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100000211441 [1,1,0,0,0,0|1,0,1]=4 303 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 11a_100138425928_100000188618 [1,1,0,0,0,0|1,0,0]=3 304 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 1626a_100138425928_100000188618 [1,1,0,0,0,0|1,0,0]=3 305 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 240690a_100138425928_100000188618 [1,1,0,0,0,0|1,0,0]=3 306 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 527a_100138425928_100000188618 [1,1,0,0,0,0|1,0,0]=3 307 B13R1.147 CC(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000210624 [1,1,0,0,0,0|0,0,1]=3 308 B13R1.147 CC(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210624 [1,1,0,0,0,0|0,0,1]=3 309 B13R1.147 CC(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000210624 [1,1,0,0,0,0|0,0,1]=3 310 B13R1.147 CC(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000210624 [1,1,0,0,0,0|0,0,1]=3 311 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [1,1,0,0,0,0|0,0,1]=3 312 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [1,1,0,0,0,0|0,0,1]=3 313 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 11a_100138425928_100000210664 [1,1,0,0,0,0|1,0,0]=3 314 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 1626a_100138425928_100000210664 [1,1,0,0,0,0|1,0,0]=3 315 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 240690a_100138425928_100000210664 [1,1,0,0,0,0|1,0,0]=3 316 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 527a_100138425928_100000210664 [1,1,0,0,0,0|1,0,0]=3 317 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 11a_100138425928_100000210390 [1,1,0,0,0,0|1,0,0]=3 318 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 1626a_100138425928_100000210390 [1,1,0,0,0,0|1,0,0]=3 319 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 240690a_100138425928_100000210390 [1,1,0,0,0,0|1,0,0]=3 320 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 527a_100138425928_100000210390 [1,1,0,0,0,0|1,0,0]=3 321 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 11a_100138425928_100000210950 [1,1,0,0,0,0|1,0,0]=3 322 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 1626a_100138425928_100000210950 [1,1,0,0,0,0|1,0,0]=3 323 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 240690a_100138425928_100000210950 [1,1,0,0,0,0|1,0,0]=3 324 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 527a_100138425928_100000210950 [1,1,0,0,0,0|1,0,0]=3 325 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 11a_100138425928_100000184098 [1,1,0,0,0,0|1,0,0]=3 326 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 1626a_100138425928_100000184098 [1,1,0,0,0,0|1,0,0]=3 327 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 240690a_100138425928_100000184098 [1,1,0,0,0,0|1,0,0]=3 328 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 527a_100138425928_100000184098 [1,1,0,0,0,0|1,0,0]=3 329 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 240690a_100138425928_100000183914 [1,1,0,0,0,0|1,0,0]=3 330 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 271570a_203496583355_200000152632 [1,1,0,0,0,0|1,0,0]=3 331 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 527a_100138425928_100000183914 [1,1,0,0,0,0|1,0,0]=3 332 B13R1.147 CC(C)NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229805 [1,1,0,0,0,0|2,0,0]=4 333 B13R1.147 CC(C)NC(=O)c1cncc(c1)O 271570a_203496583355_200000152636 [1,1,0,0,0,0|2,0,0]=4 334 B13R1.147 CC(O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011218427 [1,1,0,0,0,0|1,0,1]=4 335 B13R1.147 CC(O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011218427 [1,1,0,0,0,0|1,0,1]=4 336 B13R1.147 CC(O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011218427 [1,1,0,0,0,0|1,0,1]=4 337 B13R1.147 CC(O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011218427 [1,1,0,0,0,0|1,0,1]=4 338 B13R1.147 CC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218427 [1,1,0,0,0,0|1,0,1]=4 339 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 2230a_100102631434_100000212080 [1,1,0,0,0,0|1,0,1]=4 340 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 269982a_100102631434_100000212080 [1,1,0,0,0,0|1,0,1]=4 341 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 2230a_100102631434_100000211444 [1,1,0,0,0,0|1,0,1]=4 342 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 269982a_100102631434_100000211444 [1,1,0,0,0,0|1,0,1]=4 343 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 2230a_100102631434_100000215616 [1,1,0,0,0,0|1,0,1]=4 344 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 269982a_100102631434_100000215616 [1,1,0,0,0,0|1,0,1]=4 345 B13R1.147 CN(C)CC(=O)c1cccc(c1)O 269982a_100102631434_100009813753 [1,1,0,0,0,0|1,0,1]=4 346 B13R1.147 Cc1cccc(c1)C(=O)CC(C)C 1458a_100000189346_100000210624 [1,1,0,0,0,0|0,0,1]=3 347 B13R1.147 Cc1cccc(c1)C(=O)CC(C)O 1458a_100000189346_100011218427 [1,1,0,0,0,0|1,0,1]=4 348 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 2230a_100102631434_100000739480 [1,1,0,0,0,0|1,0,1]=4 349 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 269982a_100102631434_100000739480 [1,1,0,0,0,0|1,0,1]=4 350 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 11a_100138425928_100000189346 [1,1,0,0,0,0|1,0,0]=3 351 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 1626a_100138425928_100000189346 [1,1,0,0,0,0|1,0,0]=3 352 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 240690a_100138425928_100000189346 [1,1,0,0,0,0|1,0,0]=3 353 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 527a_100138425928_100000189346 [1,1,0,0,0,0|1,0,0]=3 354 B13R1.152 C=C(C(=O)C(C)C)c1ccccc1 1458a_100000065200_100000210206 [1,1,0,0,0,0|0,0,0]=2 355 B13R1.152 C=C(C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000065200 [1,1,0,0,0,0|1,0,0]=3 356 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 2230a_100102631434_100000239700 [1,1,0,0,0,0|1,0,1]=4 357 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 269982a_100102631434_100000239700 [1,1,0,0,0,0|1,0,1]=4 358 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [1,1,0,0,0,0|0,0,2]=4 359 B13R1.152 CC(C)C(=O)C(F)c1ccccc1 1458a_100000698975_100000210206 [1,1,0,0,0,0|1,0,1]=4 360 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000210198 [1,1,0,0,0,0|1,0,1]=4 361 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000210198 [1,1,0,0,0,0|1,0,1]=4 362 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000210198 [1,1,0,0,0,0|1,0,1]=4 363 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [1,1,0,0,0,0|0,0,2]=4 364 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [1,1,0,0,0,0|0,0,2]=4 365 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 11a_200000211004_100000185807 [1,1,0,0,0,0|1,0,0]=3 366 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 1626a_200000211004_100000185807 [1,1,0,0,0,0|1,0,0]=3 367 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 240690a_200000211004_100000185807 [1,1,0,0,0,0|1,0,0]=3 368 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 527a_200000211004_100000185807 [1,1,0,0,0,0|1,0,0]=3 369 B13R1.201 CC(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000210624 [1,1,0,0,0,0|0,0,1]=3 370 B13R1.201 CC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000210624 [1,1,0,0,0,0|0,0,1]=3 371 B13R1.201 CC(C)CC(=O)c1ccccc1F 1458a_100000188656_100000210624 [1,1,0,0,0,0|0,0,1]=3 372 B13R1.201 CC(C)CC(=O)c1ccccc1I 1458a_100000187884_100000210624 [1,1,0,0,0,0|0,0,1]=3 373 B13R1.201 CC(C)CC(=O)c1ccccc1O 1458a_100015234032_100000210624 [1,1,0,0,0,0|0,0,1]=3 374 B13R1.201 CC(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000210624 [1,1,0,0,0,0|0,0,1]=3 375 B13R1.201 CC(C)NC(=O)c1ccccc1Br 11a_100138425928_100000188424 [1,1,0,0,0,0|1,0,0]=3 376 B13R1.201 CC(C)NC(=O)c1ccccc1Br 1626a_100138425928_100000188424 [1,1,0,0,0,0|1,0,0]=3 377 B13R1.201 CC(C)NC(=O)c1ccccc1Br 240690a_100138425928_100000188424 [1,1,0,0,0,0|1,0,0]=3 378 B13R1.201 CC(C)NC(=O)c1ccccc1Br 527a_100138425928_100000188424 [1,1,0,0,0,0|1,0,0]=3 379 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 11a_100138425928_100000185844 [1,1,0,0,0,0|1,0,0]=3 380 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 1626a_100138425928_100000185844 [1,1,0,0,0,0|1,0,0]=3 381 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 240690a_100138425928_100000185844 [1,1,0,0,0,0|1,0,0]=3 382 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 527a_100138425928_100000185844 [1,1,0,0,0,0|1,0,0]=3 383 B13R1.201 CC(C)NC(=O)c1ccccc1F 11a_100138425928_100000188656 [1,1,0,0,0,0|1,0,0]=3 384 B13R1.201 CC(C)NC(=O)c1ccccc1F 1626a_100138425928_100000188656 [1,1,0,0,0,0|1,0,0]=3 385 B13R1.201 CC(C)NC(=O)c1ccccc1F 240690a_100138425928_100000188656 [1,1,0,0,0,0|1,0,0]=3 386 B13R1.201 CC(C)NC(=O)c1ccccc1F 527a_100138425928_100000188656 [1,1,0,0,0,0|1,0,0]=3 387 B13R1.201 CC(C)NC(=O)c1ccccc1I 11a_100138425928_100000187884 [1,1,0,0,0,0|1,0,0]=3 388 B13R1.201 CC(C)NC(=O)c1ccccc1I 1626a_100138425928_100000187884 [1,1,0,0,0,0|1,0,0]=3 389 B13R1.201 CC(C)NC(=O)c1ccccc1I 240690a_100138425928_100000187884 [1,1,0,0,0,0|1,0,0]=3 390 B13R1.201 CC(C)NC(=O)c1ccccc1I 527a_100138425928_100000187884 [1,1,0,0,0,0|1,0,0]=3 391 B13R1.201 CC(C)NC(=O)c1ccccc1O 240690a_100138425928_100015234032 [1,1,0,0,0,0|1,0,0]=3 392 B13R1.201 CC(C)NC(=O)c1ccccc1O 271570a_203496583355_200000152627 [1,1,0,0,0,0|1,0,0]=3 393 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 1626a_100138425928_100009911694 [1,1,0,0,0,0|1,0,0]=3 394 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 240690a_100138425928_100009911694 [1,1,0,0,0,0|1,0,0]=3 395 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 527a_100138425928_100009911694 [1,1,0,0,0,0|1,0,0]=3 396 B13R1.201 CC(C)OC(=O)c1ccccc1O 271570a_203496583355_100000169877 [1,1,0,0,0,0|1,0,0]=3 397 B13R1.201 CC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218427 [1,1,0,0,0,0|1,0,1]=4 398 B13R1.201 CC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218427 [1,1,0,0,0,0|1,0,1]=4 399 B13R1.201 CC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218427 [1,1,0,0,0,0|1,0,1]=4 400 B13R1.201 CC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218427 [1,1,0,0,0,0|1,0,1]=4 401 B13R1.201 CC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218427 [1,1,0,0,0,0|1,0,1]=4 402 B13R1.201 CC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218427 [1,1,0,0,0,0|1,0,1]=4 403 B13R1.201 CN(C)CC(=O)c1ccccc1Br 269982a_100102631434_100000199116 [1,1,0,0,0,0|1,0,1]=4 404 B13R1.201 CN(C)CC(=O)c1ccccc1Cl 269982a_100102631434_100000211432 [1,1,0,0,0,0|1,0,1]=4 405 B13R1.201 CN(C)CC(=O)c1ccccc1F 269982a_100102631434_100000204681 [1,1,0,0,0,0|1,0,1]=4 406 B13R1.201 CN(C)CC(=O)c1ccccc1O 269982a_100102631434_100000188908 [1,1,0,0,0,0|1,0,1]=4 407 B13R1.201 Cc1ccccc1C(=O)CC(C)C 1458a_100000212026_100000210624 [1,1,0,0,0,0|0,0,1]=3 408 B13R1.201 Cc1ccccc1C(=O)CC(C)O 1458a_100000212026_100011218427 [1,1,0,0,0,0|1,0,1]=4 409 B13R1.201 Cc1ccccc1C(=O)CN(C)C 2230a_100102631434_100000741374 [1,1,0,0,0,0|1,0,1]=4 410 B13R1.201 Cc1ccccc1C(=O)CN(C)C 269982a_100102631434_100000741374 [1,1,0,0,0,0|1,0,1]=4 411 B13R1.201 Cc1ccccc1C(=O)NC(C)C 11a_100138425928_100000212026 [1,1,0,0,0,0|1,0,0]=3 412 B13R1.201 Cc1ccccc1C(=O)NC(C)C 1626a_100138425928_100000212026 [1,1,0,0,0,0|1,0,0]=3 413 B13R1.201 Cc1ccccc1C(=O)NC(C)C 240690a_100138425928_100000212026 [1,1,0,0,0,0|1,0,0]=3 414 B13R1.201 Cc1ccccc1C(=O)NC(C)C 527a_100138425928_100000212026 [1,1,0,0,0,0|1,0,0]=3 415 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 270084a_100138425928_100000210345 [1,1,0,0,0,0|2,0,0]=4 416 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 274078a_100138425928_100000210345 [1,1,0,0,0,0|2,0,0]=4 417 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 11a_100000715429_100000185807 [1,1,0,0,0,0|1,0,0]=3 418 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 1626a_100000715429_100000185807 [1,1,0,0,0,0|1,0,0]=3 419 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 240690a_100000715429_100000185807 [1,1,0,0,0,0|1,0,0]=3 420 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 527a_100000715429_100000185807 [1,1,0,0,0,0|1,0,0]=3 421 B13R1.352 C[Si](C)(C)CC(=O)c1ccccc1 1458a_100000185807_100000233785 [1,1,0,0,0,0|0,1,1]=4 422 B13R1.1111 CC(=O)C(c1ccccc1)C(C)C 1458a_100000764467_200000210301 [0,1,0,0,1,0|0,0,1]=3 423 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 1458a_100000743987_200000210301 [0,1,0,0,1,0|1,0,1]=4 424 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 2230a_100102631434_100009888967 [0,1,0,0,1,0|1,0,1]=4 425 B13R1.1111 CC(=O)C(c1ccccc1)N(C)C 269982a_100102631434_100009888967 [0,1,0,0,1,0|1,0,1]=4 426 B13R1.1111 CC(=O)N(c1ccccc1)C(C)C 11a_100000210572_100015343762 [0,1,0,0,1,0|1,0,0]=3 427 B13R1.1111 CC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100015343762 [0,1,0,0,1,0|1,0,0]=3 428 B13R1.1111 CC(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000764467_200025704644 [0,1,0,0,1,0|0,0,1]=3 429 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 2230a_100102631434_100000188848 [0,1,0,0,1,0|1,0,1]=4 430 B13R1.1111 CN(C)C(C(=O)N)c1ccccc1 269982a_100102631434_100000188848 [0,1,0,0,1,0|1,0,1]=4 431 B13R1.1111 CN(C)C(C(=O)[13CH3])c1ccccc1 1458a_100000743987_200025704644 [0,1,0,0,1,0|1,0,1]=4 432 B15R1.1097 C=CC(=NNC(C)CC)c1ccccc1 4a_100000718999_200000750708 [0,1,0,0,0,1|2,0,0]=4 433 B15R1.1299 C=C=CC(=NNC(C)C)c1ccccc1 4a_100000741168_100010632647 [0,1,0,0,0,1|2,0,0]=4 434 B15R1.1299 CC(C)NN=C(C=C[O-])c1ccccc1 4a_100000741168_100000198476 [0,1,0,0,0,1|1,0,1]=4 435 B15R1.1299 CC(C)NN=C(C=NO)c1ccccc1 4a_100000741168_100016272100 [0,1,0,0,0,1|1,0,1]=4 436 B15R1.1299 CC=CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000719237 [0,1,0,0,0,1|2,0,0]=4 437 B15R1.5334 C=CC(=NNC(C)(C)C)c1ccccc1 4a_100000725372_200000750708 [0,1,0,0,0,1|2,0,0]=4 438 B15R1.12293 CC(=O)C(NCC(C)C)c1ccccc1 2230a_100000210953_100009888967 [0,1,0,0,0,1|0,0,2]=4 439 B15R1.12293 CC(=O)C(SCC(C)C)c1ccccc1 62a_100000210624_100009888967 [0,1,0,0,0,1|0,0,2]=4 440 B15R1.12293 CC(=O)C(SCC(C)C)c1ccccc1 62a_100009888967_100000210760 [0,1,0,0,0,1|0,0,2]=4 441 B15R1.12293 CC(C)CNC(C(=O)N)c1ccccc1 2230a_100000210953_100000188848 [0,1,0,0,0,1|0,0,2]=4 442 B15R1.12293 CC(C)CNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210760 [0,1,0,0,0,1|0,0,2]=4 443 B15R1.12293 CC(C)CN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210760 [0,1,0,0,0,1|0,0,2]=4 444 B15R1.12293 CC(C)CN[C@@H](C(=O)N)c1ccccc1 270004a_100011423151_100000210432 [0,1,0,0,0,1|0,0,2]=4 445 B15R1.12293 CC(C)COC(C(=O)N)c1ccccc1 34a_100011200849_100000210624 [0,1,0,0,0,1|0,0,2]=4 446 B15R1.12293 CC(C)COC(C(=O)N)c1ccccc1 7a_100011200849_100000210760 [0,1,0,0,0,1|0,0,2]=4 447 B15R1.12293 CC(C)CSC(C(=O)N)c1ccccc1 62a_100000188848_100000210760 [0,1,0,0,0,1|0,0,2]=4 448 B15R1.12293 CC(C)CSC(C(=O)N)c1ccccc1 62a_100000210624_100000188848 [0,1,0,0,0,1|0,0,2]=4 449 B15R1.12293 CC(C)NCC(C(=O)O)c1ccccc1 269956a_100000722792_100000210206 [0,1,0,0,0,1|0,0,2]=4 450 B15R1.671 CC(C)C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210206 [0,1,0,0,0,1|1,0,1]=4 451 B15R1.1310 CC(C)CN(CC=O)Cc1ccccc1 2230a_100000189081_200015260668 [0,1,0,0,0,1|1,0,1]=4 452 B15R1.1310 CC(C)CN(CC=O)Cc1ccccc1 269982a_100000189081_200015260668 [0,1,0,0,0,1|1,0,1]=4 453 B15R1.1310 CC(C)CN(CC=O)Cc1ccccc1 34a_100000189081_200009817547 [0,1,0,0,0,1|1,0,1]=4 454 B15R1.3565 CC(=O)N(Cc1ccccc1)CC(C)C 11a_100000189081_100015343762 [0,1,0,0,0,1|1,0,1]=4 455 B15R1.3565 CC(=O)N(Cc1ccccc1)CC(C)C 1626a_100000189081_100015343762 [0,1,0,0,0,1|1,0,1]=4 456 B15R1.3565 CC(=O)N(Cc1ccccc1)CC(C)C 240690a_100000189081_100015343762 [0,1,0,0,0,1|1,0,1]=4 457 B15R1.3565 CC(=O)N(Cc1ccccc1)CC(C)C 527a_100000189081_100103153847 [0,1,0,0,0,1|1,0,1]=4 458 B15R1.3565 CC(C)NC(Cc1ccccc1)C(=O)N 2230a_100000745710_100000210206 [0,1,0,0,0,1|1,0,1]=4 459 B15R1.3565 CC(C)NC(Cc1ccccc1)C(=O)N 34a_100000745710_100000210206 [0,1,0,0,0,1|1,0,1]=4 460 B15R1.152 CC(C)C[C@H](NCC=O)c1ccccc1 2230a_100016987908_200015260668 [0,2,0,0,0,0|0,0,2]=4 461 B15R1.625 CC(C)CN(CC=O)c1ccc(cc1)Br 2230a_200011231703_200015260668 [0,2,0,0,0,0|1,0,1]=4 462 B15R1.625 CC(C)CN(CC=O)c1ccc(cc1)Br 269982a_200011231703_200015260668 [0,2,0,0,0,0|1,0,1]=4 463 B15R1.625 CC(C)CN(CC=O)c1ccc(cc1)Br 34a_200011231703_200009817547 [0,2,0,0,0,0|1,0,1]=4 464 B15R1.625 CC(C)CN(CC=O)c1ccc(cc1)F 2230a_100000713154_200015260668 [0,2,0,0,0,0|1,0,1]=4 465 B15R1.625 CC(C)CN(CC=O)c1ccc(cc1)F 269982a_100000713154_200015260668 [0,2,0,0,0,0|1,0,1]=4 466 B15R1.625 CC(C)CN(CC=O)c1ccc(cc1)F 34a_100000713154_200009817547 [0,2,0,0,0,0|1,0,1]=4 467 B15R1.625 Cc1ccc(cc1)N(CC=O)CC(C)C 2230a_100015205861_200015260668 [0,2,0,0,0,0|1,0,1]=4 468 B15R1.625 Cc1ccc(cc1)N(CC=O)CC(C)C 269982a_100015205861_200015260668 [0,2,0,0,0,0|1,0,1]=4 469 B15R1.625 Cc1ccc(cc1)N(CC=O)CC(C)C 34a_100015205861_200009817547 [0,2,0,0,0,0|1,0,1]=4 470 B15R1.626 CC(C)CN(CC=O)c1cccc(c1)Cl 2230a_100015204621_200015260668 [0,2,0,0,0,0|1,0,1]=4 471 B15R1.626 CC(C)CN(CC=O)c1cccc(c1)Cl 269982a_100015204621_200015260668 [0,2,0,0,0,0|1,0,1]=4 472 B15R1.626 CC(C)CN(CC=O)c1cccc(c1)Cl 34a_100015204621_200009817547 [0,2,0,0,0,0|1,0,1]=4 473 B15R1.626 CC(C)CN(CC=O)c1cccc(c1)Cl 7a_100015204621_200015260668 [0,2,0,0,0,0|1,0,1]=4 474 B15R1.635 C=CCN(C(=O)C(C)C)c1ccccc1 11a_100000211662_100000210198 [0,2,0,0,0,0|2,0,0]=4 475 B15R1.635 C=CCN(C(=O)C(C)C)c1ccccc1 1626a_100000211662_100000210198 [0,2,0,0,0,0|2,0,0]=4 476 B15R1.635 C=CCN(C(=O)C(C)C)c1ccccc1 22a_100000211662_100000210198 [0,2,0,0,0,0|2,0,0]=4 477 B15R1.3197 CC(C)OC(C(=O)NN)c1ccccc1 34a_100011203043_100000210206 [0,2,0,0,0,0|1,0,1]=4 478 B15R1.3197 CNC(=O)C(NC(C)C)c1ccccc1 2230a_100000741928_100000210206 [0,2,0,0,0,0|1,0,1]=4 479 B15R1.3197 CNC(=O)C(NC(C)C)c1ccccc1 34a_100000741928_100000210206 [0,2,0,0,0,0|1,0,1]=4 480 B15R1.3197 CNC(=O)C(OC(C)C)c1ccccc1 34a_100012026080_100000210206 [0,2,0,0,0,0|1,0,1]=4 481 B15R1.3197 COC(=O)C(NC(C)C)c1ccccc1 2230a_100138425928_100000754950 [0,2,0,0,0,0|1,0,1]=4 482 B15R1.3197 COC(=O)C(NC(C)C)c1ccccc1 34a_100138425928_100000185205 [0,2,0,0,0,0|1,0,1]=4 483 B15R1.3197 COC(=O)C(OC(C)C)c1ccccc1 34a_100000212225_100000185205 [0,2,0,0,0,0|1,0,1]=4 484 B15R1.3197 COC(=O)C(SC(C)C)c1ccccc1 62a_100000210206_100000754950 [0,2,0,0,0,0|1,0,1]=4 485 B15R1.3197 COC(=O)C(SC(C)C)c1ccccc1 62a_100000754950_100000210206 [0,2,0,0,0,0|1,0,1]=4 486 B15R1.3197 COC(=O)[C@H](OC(C)C)c1ccccc1 34a_100009815907_100000210206 [0,2,0,0,0,0|1,0,1]=4 487 B15R1.9083 CC(=O)N[C@@H](CC(C)C)c1ccccc1 11a_100016987908_100015343762 [0,2,0,0,0,0|0,0,2]=4 488 B15R1.9083 CC(=O)N[C@@H](CC(C)C)c1ccccc1 1626a_100016987908_100015343762 [0,2,0,0,0,0|0,0,2]=4 489 B15R1.9083 CC(=O)N[C@@H](CC(C)C)c1ccccc1 240690a_100016987908_100015343762 [0,2,0,0,0,0|0,0,2]=4 490 B15R1.9083 CC(=O)N[C@@H](CC(C)C)c1ccccc1 527a_100016987908_100103153847 [0,2,0,0,0,0|0,0,2]=4 491 B15R1.9083 CC(C)CN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210760 [0,2,0,0,0,0|1,0,1]=4 492 B15R1.9083 CC(C)CN(CC(=O)N)c1ccccc1 269982a_100000212578_100000210624 [0,2,0,0,0,0|1,0,1]=4 493 B15R1.9083 CC(C)CN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210760 [0,2,0,0,0,0|1,0,1]=4 494 B15R1.9083 CC(C)N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210206 [0,2,0,0,0,0|1,0,1]=4 495 B15R1.9865 CC(C)CN(CC=O)c1ccccc1Cl 2230a_100011231759_200015260668 [0,2,0,0,0,0|1,0,1]=4 496 B15R1.9865 CC(C)CN(CC=O)c1ccccc1Cl 269982a_100011231759_200015260668 [0,2,0,0,0,0|1,0,1]=4 497 B15R1.9865 CC(C)CN(CC=O)c1ccccc1Cl 34a_100011231759_200009817547 [0,2,0,0,0,0|1,0,1]=4 498 B15R1.5903 CC(=O)C(NC(C)(C)C)c1ccccc1 2230a_100000715429_100009888967 [0,2,0,0,0,0|1,0,1]=4 499 B15R1.5903 CC(=O)C(OC(C)(C)C)c1ccccc1 1458a_100000692874_200000210301 [0,2,0,0,0,0|1,0,1]=4 500 B15R1.5903 CC(=O)C(OC(C)(C)C)c1ccccc1 7a_100015890283_100009888967 [0,2,0,0,0,0|1,0,1]=4 501 B15R1.5903 CC(=O)C(SC(C)(C)C)c1ccccc1 62a_100000211941_100009888967 [0,2,0,0,0,0|1,0,1]=4 502 B15R1.5903 CC(=O)C(SC(C)(C)C)c1ccccc1 62a_100009888967_100000211941 [0,2,0,0,0,0|1,0,1]=4 503 B15R1.5903 CC(C)(C)NC(C(=O)N)c1ccccc1 2230a_100000715429_100000188848 [0,2,0,0,0,0|1,0,1]=4 504 B15R1.5903 CC(C)(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100000211941 [0,2,0,0,0,0|1,0,1]=4 505 B15R1.5903 CC(C)(C)OC(C(=O)N)c1ccccc1 34a_100011200849_100000210625 [0,2,0,0,0,0|1,0,1]=4 506 B15R1.5903 CC(C)(C)OC(C(=O)N)c1ccccc1 7a_100015890283_100000188848 [0,2,0,0,0,0|1,0,1]=4 507 B15R1.5903 CC(C)(C)OC(C(=O)[13CH3])c1ccccc1 1458a_100000692874_200025704644 [0,2,0,0,0,0|1,0,1]=4 508 B15R1.5903 CC(C)(C)SC(C(=O)N)c1ccccc1 62a_100000188848_100000211941 [0,2,0,0,0,0|1,0,1]=4 509 B15R1.5903 CC(C)(C)SC(C(=O)N)c1ccccc1 62a_100000211941_100000188848 [0,2,0,0,0,0|1,0,1]=4 510 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)Br 11a_200011231703_100015343762 [0,2,0,0,0,0|1,0,1]=4 511 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)Br 1626a_200011231703_100015343762 [0,2,0,0,0,0|1,0,1]=4 512 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)C 11a_100015205861_100015343762 [0,2,0,0,0,0|1,0,1]=4 513 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)C 1626a_100015205861_100015343762 [0,2,0,0,0,0|1,0,1]=4 514 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)C 22a_100015205861_100000070787 [0,2,0,0,0,0|1,0,1]=4 515 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)F 11a_100000713154_100015343762 [0,2,0,0,0,0|1,0,1]=4 516 B15R1.922 CC(=O)N(CC(C)C)c1ccc(cc1)F 1626a_100000713154_100015343762 [0,2,0,0,0,0|1,0,1]=4 517 B15R1.922 CC(C)NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_100000210206 [0,2,0,0,0,0|1,0,1]=4 518 B15R1.922 CC(C)NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_100000210206 [0,2,0,0,0,0|1,0,1]=4 519 B15R1.922 CC(C)NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_100000210206 [0,2,0,0,0,0|1,0,1]=4 520 B15R1.922 Cc1ccc(cc1)C(NC(C)C)C(=O)O 269956a_100138412518_100000210206 [0,2,0,0,0,0|1,0,1]=4 521 B15R1.8317 CC(=O)N(CC(C)C)c1cccc(c1)Cl 11a_100015204621_100015343762 [0,2,0,0,0,0|1,0,1]=4 522 B15R1.8317 CC(=O)N(CC(C)C)c1cccc(c1)Cl 1626a_100015204621_100015343762 [0,2,0,0,0,0|1,0,1]=4 523 B15R1.8317 CC(C)NC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_100000210206 [0,2,0,0,0,0|1,0,1]=4 524 B15R1.8317 CC(C)NC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_100000210206 [0,2,0,0,0,0|1,0,1]=4 525 B15R1.8317 CC(C)NC(C(=O)O)c1cccc(c1)F 269956a_100000752392_100000210206 [0,2,0,0,0,0|1,0,1]=4 526 B15R1.8317 Cc1cccc(c1)C(NC(C)C)C(=O)O 269956a_100015207286_100000210206 [0,2,0,0,0,0|1,0,1]=4 527 B15R1.31796 CC(=O)C(C(=O)C(C)C)c1ccccc1 1458a_100000210198_100009888967 [0,2,0,0,0,0|0,0,1]=3 528 B15R1.31796 CC(=O)C(C(=O)C(C)F)c1ccccc1 1458a_100000062450_100009888967 [0,2,0,0,0,0|1,0,1]=4 529 B15R1.31796 CC(=O)C(C(=O)N(C)C)c1ccccc1 1458a_100000070787_100000204569 [0,2,0,0,0,0|1,0,1]=4 530 B15R1.31796 CC(=O)C(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100009888967 [0,2,0,0,0,0|1,0,1]=4 531 B15R1.31796 CC(=O)C(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100009888967 [0,2,0,0,0,0|1,0,1]=4 532 B15R1.31796 CC(=O)C(c1ccccc1)N(C)C(C)C 269982a_200000211004_100009888967 [0,2,0,0,0,0|1,0,1]=4 533 B15R1.31796 CC(C)C(=O)C(C(=O)N)c1ccccc1 1458a_100000210198_100000188848 [0,2,0,0,0,0|0,0,1]=3 534 B15R1.31796 CC(C)N(C)C(C(=O)N)c1ccccc1 269982a_200000211004_100000188848 [0,2,0,0,0,0|1,0,1]=4 535 B15R1.31796 CC(F)C(=O)C(C(=O)N)c1ccccc1 1458a_100000062450_100000188848 [0,2,0,0,0,0|1,0,1]=4 536 B15R1.31796 C[C@@H](O)C(=O)C(C(=O)N)c1ccccc1 1458a_100000717761_100000188848 [0,2,0,0,0,0|1,0,1]=4 537 B15R1.31796 C[C@H](O)C(=O)C(C(=O)N)c1ccccc1 1458a_217856618621_100000188848 [0,2,0,0,0,0|1,0,1]=4 538 B15R1.11817 CC(=O)C(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100009888967 [0,2,0,0,0,0|1,0,1]=4 539 B15R1.11817 CC(=O)C(OC(C)CF)c1ccccc1 7a_100016041109_100009888967 [0,2,0,0,0,0|1,0,1]=4 540 B15R1.11817 CC(=O)C(SC(C)CO)c1ccccc1 62a_100012180447_100009888967 [0,2,0,0,0,0|1,0,1]=4 541 B15R1.11817 CC(=O)C(S[C@H](C)CO)c1ccccc1 62a_100009888967_100016084084 [0,2,0,0,0,0|1,0,1]=4 542 B15R1.11817 CC(=O)C(S[C@H](C)CO)c1ccccc1 62a_100016084084_100009888967 [0,2,0,0,0,0|1,0,1]=4 543 B15R1.11817 CC(CF)OC(C(=O)N)c1ccccc1 7a_100016041109_100000188848 [0,2,0,0,0,0|1,0,1]=4 544 B15R1.11817 CC(CO)N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100012180447 [0,2,0,0,0,0|1,0,1]=4 545 B15R1.11817 CC(CO)OC(C(=O)N)c1ccccc1 34a_100011200849_100012180447 [0,2,0,0,0,0|1,0,1]=4 546 B15R1.11817 CC(CO)OC(C(=O)N)c1ccccc1 7a_100011200849_100012180447 [0,2,0,0,0,0|1,0,1]=4 547 B15R1.11817 CC(CO)SC(C(=O)N)c1ccccc1 62a_100012180447_100000188848 [0,2,0,0,0,0|1,0,1]=4 548 B15R1.11817 CCC(C)NC(C(=O)C)c1ccccc1 2230a_100000209981_100009888967 [0,2,0,0,0,0|1,0,1]=4 549 B15R1.11817 CCC(C)NC(C(=O)N)c1ccccc1 2230a_100000209981_100000188848 [0,2,0,0,0,0|1,0,1]=4 550 B15R1.11817 CCC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100000758301 [0,2,0,0,0,0|1,0,1]=4 551 B15R1.11817 CCC(C)N[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000758301 [0,2,0,0,0,0|1,0,1]=4 552 B15R1.11817 CCC(C)OC(C(=O)C)c1ccccc1 7a_100000210228_100009888967 [0,2,0,0,0,0|1,0,1]=4 553 B15R1.11817 CCC(C)OC(C(=O)N)c1ccccc1 34a_100011200849_100011215416 [0,2,0,0,0,0|1,0,1]=4 554 B15R1.11817 CCC(C)OC(C(=O)N)c1ccccc1 7a_100000210228_100000188848 [0,2,0,0,0,0|1,0,1]=4 555 B15R1.11817 CCC(C)OC(C(=O)N)c1ccccc1 7a_100011200849_100000758301 [0,2,0,0,0,0|1,0,1]=4 556 B15R1.11817 CCC(C)SC(C(=O)C)c1ccccc1 62a_100000758301_100009888967 [0,2,0,0,0,0|1,0,1]=4 557 B15R1.11817 CCC(C)SC(C(=O)C)c1ccccc1 62a_100009888967_100000758301 [0,2,0,0,0,0|1,0,1]=4 558 B15R1.11817 CCC(C)SC(C(=O)N)c1ccccc1 62a_100000188848_100000758301 [0,2,0,0,0,0|1,0,1]=4 559 B15R1.11817 CCC(C)SC(C(=O)N)c1ccccc1 62a_100000758301_100000188848 [0,2,0,0,0,0|1,0,1]=4 560 B15R1.11817 COC(C)NC(C(=O)O)c1ccccc1 269956a_100000230147_100009879195 [0,2,0,0,0,0|1,0,1]=4 561 B15R1.11817 COC(C)SC(C(=O)C)c1ccccc1 62a_100009879195_100009888967 [0,2,0,0,0,0|1,0,1]=4 562 B15R1.11817 COC(C)SC(C(=O)C)c1ccccc1 62a_100009888967_100009879195 [0,2,0,0,0,0|1,0,1]=4 563 B15R1.11817 COC(C)SC(C(=O)N)c1ccccc1 62a_100000188848_100009879195 [0,2,0,0,0,0|1,0,1]=4 564 B15R1.11817 COC(C)SC(C(=O)N)c1ccccc1 62a_100009879195_100000188848 [0,2,0,0,0,0|1,0,1]=4 565 B15R1.11817 C[C@H](CO)NC(C(=O)N)c1ccccc1 2230a_100000737577_100000188848 [0,2,0,0,0,0|1,0,1]=4 566 B15R1.11817 C[C@H](CO)NC(C(=O)O)c1ccccc1 269956a_100000230147_100016084084 [0,2,0,0,0,0|1,0,1]=4 567 B15R1.11817 C[C@H](CO)SC(C(=O)N)c1ccccc1 62a_100000188848_100016084084 [0,2,0,0,0,0|1,0,1]=4 568 B15R1.11817 C[C@H](CO)SC(C(=O)N)c1ccccc1 62a_100016084084_100000188848 [0,2,0,0,0,0|1,0,1]=4 569 B15R1.349 CC(=O)N(CC(C)C)c1ccccc1Cl 11a_100011231759_100015343762 [0,2,0,0,0,0|1,0,1]=4 570 B15R1.349 CC(=O)N(CC(C)C)c1ccccc1Cl 1626a_100011231759_100015343762 [0,2,0,0,0,0|1,0,1]=4 571 B15R1.349 CC(C)NC(C(=O)O)c1ccccc1Br 269956a_100000744630_100000210206 [0,2,0,0,0,0|1,0,1]=4 572 B15R1.349 CC(C)NC(C(=O)O)c1ccccc1F 269956a_100138411467_100000210206 [0,2,0,0,0,0|1,0,1]=4 573 B15R1.349 CC(C)N[C@H](C(=O)O)c1ccccc1Cl 269956a_100009815989_100000210206 [0,2,0,0,0,0|1,0,1]=4 574 B15R1.349 Cc1ccccc1C(NC(C)C)C(=O)O 269956a_100011223803_100000210206 [0,2,0,0,0,0|1,0,1]=4 575 B13R1.641 C=Cc1cccc(c1F)SC(C)C 62a_100000210206_100010741937 [0,0,1,1,0,0|2,0,0]=4 576 B13R1.641 C=Cc1cccc(c1F)SC(C)C 62a_100010741937_100000210206 [0,0,1,1,0,0|2,0,0]=4 577 B13R1.2135 C=Cc1cccc(c1OC(C)C)F 271570a_100011290941_200010078528 [0,0,1,1,0,0|2,0,0]=4 578 B13R1.2137 C=Cc1cccc(c1C=O)N(C)C 271570a_100011290941_100010365569 [0,0,1,1,0,0|1,0,0]=3 579 B13R1.2137 C=Cc1ccnc(c1C=O)N(C)C 271570a_100011290941_100000070258 [0,0,1,1,0,0|2,0,0]=4 580 B13R1.2137 C=Cc1nccc(c1C=O)N(C)C 271570a_100011290941_100021167687 [0,0,1,1,0,0|2,0,0]=4 581 B13R2.1 CC=Cc1coc2c1cccc2 271570a_100016259895_100009812202 [1,0,0,1,0,0|0,0,2]=4 582 B13R2.1 CC=Cc1csc2c1cccc2 271570a_100016259895_100009813928 [1,0,0,1,0,0|0,1,1]=4 583 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [1,0,0,1,0,0|1,1,0]=4 584 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [1,0,0,1,0,0|1,1,0]=4 585 B13R2.1 CCSc1coc2c1cccc2 62a_100000210202_100009812202 [1,0,0,1,0,0|1,0,1]=4 586 B13R2.1 CCSc1csc2c1cccc2 62a_100000210202_100009813928 [1,0,0,1,0,0|1,1,0]=4 587 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [1,0,0,1,0,0|1,0,1]=4 588 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [1,0,0,1,0,0|0,0,2]=4 589 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [1,0,0,1,0,0|2,0,0]=4 590 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100000699828_100000210277 [1,0,0,1,0,0|0,1,1]=4 591 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100011218836_100000759034 [1,0,0,1,0,0|0,1,1]=4 592 B13R2.10 Cn1cc(cn1)c2ccccc2 271570a_100000685319_100000210277 [1,0,0,1,0,0|2,0,0]=4 593 B13R2.10 Cn1cc(cn1)c2ccccc2 271570a_100011218836_100000748075 [1,0,0,1,0,0|2,0,0]=4 594 B13R2.10 Cn1ccc(c1)c2ccccc2 271570a_100010172022_100000210277 [1,0,0,1,0,0|2,0,0]=4 595 B13R2.690 O=C(CC1CC1)c2ccccc2 1458a_100000185807_100000742324 [1,0,0,1,0,0|0,0,1]=3 596 B13R2.690 O=C(CC1CO1)c2ccccc2 1458a_100000185807_100011216344 [1,0,0,1,0,0|1,0,1]=4 597 B13R2.690 O=C(CC1CS1)c2ccccc2 1458a_100000185807_100000031435 [1,0,0,1,0,0|1,0,1]=4 598 B13R2.690 O=C(C[C@@H]1CO1)c2ccccc2 1458a_100000185807_100000745022 [1,0,0,1,0,0|1,0,1]=4 599 B13R2.690 O=C(NC1CC1)c2ccccc2 1626a_100000212008_100000185807 [1,0,0,1,0,0|1,0,0]=3 600 B13R2.690 O=C(NC1CC1)c2ccccc2 240690a_100000212008_100000185807 [1,0,0,1,0,0|1,0,0]=3 601 B13R2.690 O=C(NC1CC1)c2ccccc2 527a_100000212008_100000185807 [1,0,0,1,0,0|1,0,0]=3 602 B15R2.6 CC(C)C=Cc1c[nH]c2c1cccn2 271570a_100016257149_100011934613 [0,0,0,1,0,1|2,0,0]=4 603 B15R2.6 CC(C)C=Cc1c[nH]c2c1ccnc2 271570a_100016257149_100010232032 [0,0,0,1,0,1|2,0,0]=4 604 B15R2.6 CC(C)C=Cc1c[nH]c2c1cncc2 271570a_100016257149_100011934843 [0,0,0,1,0,1|2,0,0]=4 605 B15R2.6 CC(C)C=Cc1c[nH]c2c1nccc2 271570a_100016257149_100009817151 [0,0,0,1,0,1|2,0,0]=4 606 B15R2.6 CC(C)C=Cc1cnc2n1cccc2 271570a_100016257149_100011219245 [0,0,0,1,0,1|2,0,0]=4 607 B15R2.6 CC(C)C=Cc1cnn2c1cccc2 271570a_100016257149_100009817726 [0,0,0,1,0,1|2,0,0]=4 608 B15R2.6 CC(C)C=Cc1coc2c1cccc2 271570a_100016257149_100009812202 [0,0,0,1,0,1|0,0,1]=3 609 B15R2.6 CC(C)C=Cc1coc2c1nccc2 271570a_100016257149_100009889148 [0,0,0,1,0,1|1,0,1]=4 610 B15R2.6 CC(C)C=Cc1csc2c1cccc2 271570a_100016257149_100009813928 [0,0,0,1,0,1|0,1,0]=3 611 B15R2.6 CC(C)C=Cc1csc2c1cccn2 271570a_100016257149_100009830249 [0,0,0,1,0,1|1,1,0]=4 612 B15R2.6 CC(C)C=Cc1csc2c1ccnc2 271570a_100016257149_100009817111 [0,0,0,1,0,1|1,1,0]=4 613 B15R2.6 CC(C)C=Cc1csc2c1cncc2 271570a_100016257149_100010247091 [0,0,0,1,0,1|1,1,0]=4 614 B15R2.6 CC(C)C=Cc1csc2c1nccc2 271570a_100016257149_100010247092 [0,0,0,1,0,1|1,1,0]=4 615 B15R2.6 CC(C)C=Cc1n[nH]c2c1cccc2 271570a_100016257149_100000050141 [0,0,0,1,0,1|2,0,0]=4 616 B15R2.6 CC(C)COc1csc2c1cccc2 34a_100000077758_100000210624 [0,0,0,1,0,1|0,1,1]=4 617 B15R2.6 CC(C)COc1csc2c1cccc2 7a_100000077758_100000210760 [0,0,0,1,0,1|0,1,1]=4 618 B15R2.6 CC(C)CSc1coc2c1cccc2 62a_100000210624_100009812202 [0,0,0,1,0,1|0,0,2]=4 619 B15R2.6 CC(C)CSc1csc2c1cccc2 62a_100000210624_100009813928 [0,0,0,1,0,1|0,1,1]=4 620 B15R2.6 CC(C)NCc1coc2c1cccc2 207a_100138425928_100000688544 [0,0,0,1,0,1|0,0,2]=4 621 B15R2.6 CC(C)NCc1csc2c1cccc2 207a_100138425928_100000239721 [0,0,0,1,0,1|0,1,1]=4 622 B15R2.6 CC(C)NCc1csc2c1cccc2 2230a_100138425928_200000742921 [0,0,0,1,0,1|0,1,1]=4 623 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100000744611_100000210206 [0,0,0,1,0,1|0,1,1]=4 624 B15R2.6 CC(C)NCc1csc2c1cccc2 34a_100138425928_200000742921 [0,0,0,1,0,1|0,1,1]=4 625 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100000212225_200000742921 [0,0,0,1,0,1|0,1,1]=4 626 B15R2.6 CC(C)OCc1csc2c1cccc2 34a_100011219454_100000210206 [0,0,0,1,0,1|0,1,1]=4 627 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_100000210206_200000742921 [0,0,0,1,0,1|0,1,1]=4 628 B15R2.6 CC(C)SCc1csc2c1cccc2 62a_200000742921_100000210206 [0,0,0,1,0,1|0,1,1]=4 629 B15R2.6 CC(O)C=Cc1coc2c1cccc2 271570a_200011019289_100009812202 [0,0,0,1,0,1|1,0,1]=4 630 B15R2.6 CC(O)C=Cc1csc2c1cccc2 271570a_200011019289_100009813928 [0,0,0,1,0,1|1,1,0]=4 631 B15R2.59 CC(C)c1cnc(s1)c2ccccc2 271570a_100011218836_100000697854 [0,0,0,1,0,1|2,0,0]=4 632 B15R2.59 CC(C)c1nc(cs1)c2ccccc2 271570a_100011218836_200011934575 [0,0,0,1,0,1|0,1,0]=3 633 B15R2.59 CC(C)c1nc(cs1)c2ccccn2 271570a_100011264011_200011934575 [0,0,0,1,0,1|1,1,0]=4 634 B15R2.59 CC(C)c1nc(cs1)c2cccnc2 271570a_100000757648_200011934575 [0,0,0,1,0,1|1,1,0]=4 635 B15R2.59 CC(C)c1nc(cs1)c2ccncc2 271570a_100000752145_200011934575 [0,0,0,1,0,1|1,1,0]=4 636 B15R2.59 CC(C)c1nc(no1)c2ccccc2 270196a_100000210280_100000210198 [0,0,0,1,0,1|1,0,1]=4 637 B15R2.59 CC(C)c1nnc(s1)c2ccccc2 271570a_100011218836_100000687747 [0,0,0,1,0,1|2,0,0]=4 638 B15R2.59 CC(C)c1noc(n1)c2ccccc2 270196a_100000210513_100000185807 [0,0,0,1,0,1|2,0,0]=4 639 B15R2.59 CC(C)n1cc(cn1)c2ccccc2 271570a_100000070172_100000210277 [0,0,0,1,0,1|1,0,0]=3 640 B15R2.59 CC(C)n1cc(cn1)c2ccccc2 271570a_100011218836_100012073297 [0,0,0,1,0,1|1,0,0]=3 641 B15R2.59 CC(C)n1cc(cn1)c2ccccn2 271570a_100000070172_100011216584 [0,0,0,1,0,1|2,0,0]=4 642 B15R2.59 CC(C)n1cc(cn1)c2ccccn2 271570a_100011264011_100012073297 [0,0,0,1,0,1|2,0,0]=4 643 B15R2.59 CC(C)n1cc(cn1)c2cccnc2 271570a_100000070172_100000752921 [0,0,0,1,0,1|2,0,0]=4 644 B15R2.59 CC(C)n1cc(cn1)c2cccnc2 271570a_100000757648_100012073297 [0,0,0,1,0,1|2,0,0]=4 645 B15R2.59 CC(C)n1cc(cn1)c2ccncc2 271570a_100000070172_100000035832 [0,0,0,1,0,1|2,0,0]=4 646 B15R2.59 CC(C)n1cc(cn1)c2ccncc2 271570a_100000752145_100012073297 [0,0,0,1,0,1|2,0,0]=4 647 B15R2.59 CC(C)n1cc(nn1)c2ccccc2 274090a_100000210206_100000210518 [0,0,0,1,0,1|2,0,0]=4 648 B15R2.59 CC(C)n1ccc(n1)c2ccccc2 271570a_100011218836_100012351941 [0,0,0,1,0,1|2,0,0]=4 649 B15R2.59 CC(C)n1ccc(n1)c2ccccc2 271570a_100012352795_100000210277 [0,0,0,1,0,1|2,0,0]=4 650 B15R2.59 CC(C)n1cnc(c1)c2ccccc2 271570a_100011218836_100010368367 [0,0,0,1,0,1|2,0,0]=4 651 B15R2.59 CC(N)c1cc(cs1)c2ccccc2 271570a_100011218836_100159270200 [0,0,0,1,0,1|1,1,0]=4 652 B15R2.59 CC(N)c1ccc(s1)c2ccccc2 271570a_100011218836_100102723530 [0,0,0,1,0,1|2,0,0]=4 653 B15R2.59 CN(C)c1nc(cs1)c2ccccc2 271570a_100011218836_100012356714 [0,0,0,1,0,1|1,1,0]=4 654 B15R2.59 CN(C)c1nc(cs1)c2ccccc2 27a_100102631434_100011830410 [0,0,0,1,0,1|1,1,0]=4 655 B15R2.59 CN(C)c1ncc(o1)c2ccccc2 27a_100102631434_100000729704 [0,0,0,1,0,1|2,0,0]=4 656 B15R2.59 CN(C)c1ncc(s1)c2ccccc2 271570a_100011218836_100012356744 [0,0,0,1,0,1|2,0,0]=4 657 B15R2.59 CN(C)c1ncc(s1)c2ccccc2 27a_100102631434_100000685549 [0,0,0,1,0,1|2,0,0]=4 658 B15R2.389 Cc1ncc(c(=O)[nH]1)c2ccccc2 271570a_100011218836_100011999157 [0,0,0,1,0,1|1,0,1]=4 659 B15R2.467 CC1(CC=C(CC1)c2ccccc2)C 271570a_100000069032_100000210277 [0,0,0,1,0,1|1,0,1]=4 660 B15R2.1327 C=CC(=NNC1CC1)c2ccccc2 4a_100000701032_200000750708 [0,0,0,1,0,1|2,0,0]=4 661 B15R2.629 CC(=Cc1sc2ccccc2c1C)C 271570a_100102525489_200010198769 [0,0,0,1,0,1|1,0,1]=4 662 B15R2.629 CC(C)SC1Cc2ccccc2C1=O 62a_100000210206_100011218503 [0,0,0,1,0,1|1,0,1]=4 663 B15R2.629 CC(C)SC1Cc2ccccc2C1=O 62a_100011218503_100000210206 [0,0,0,1,0,1|1,0,1]=4 664 B15R2.629 CC(C)Sc1sc2ccccc2c1Br 62a_100000210206_100015504031 [0,0,0,1,0,1|2,0,0]=4 665 B15R2.629 CC(C)Sc1sc2ccccc2c1Br 62a_100015504031_100000210206 [0,0,0,1,0,1|2,0,0]=4 666 B15R2.629 Cc1c(sc2c1cccc2)SC(C)C 62a_100000210206_200010198769 [0,0,0,1,0,1|2,0,0]=4 667 B15R2.1668 CC(=Cc1ccc2ccccc2c1)C 271570a_100102525489_100000233703 [0,0,0,1,0,1|1,0,1]=4 668 B15R2.1668 CC(=Cc1ccc2ccccc2n1)C 271570a_100102525489_100011291633 [0,0,0,1,0,1|1,0,1]=4 669 B15R2.1668 CC(=Cc1cnc2ccccc2c1)C 271570a_100102525489_100000737414 [0,0,0,1,0,1|1,0,1]=4 670 B15R2.1668 CC(=Cc1cnc2ccccc2n1)C 271570a_100102525489_100000756483 [0,0,0,1,0,1|1,0,1]=4 671 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210206 [0,0,0,1,0,1|2,0,0]=4 672 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000210206 [0,0,0,1,0,1|2,0,0]=4 673 B15R2.1668 CC(C)Nc1ccc2ccccc2n1 27a_100138425928_100011291633 [0,0,0,1,0,1|2,0,0]=4 674 B15R2.1668 CC(C)Nc1cnc2ccccc2n1 27a_100138425928_100000756483 [0,0,0,1,0,1|2,0,0]=4 675 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210206 [0,0,0,1,0,1|2,0,0]=4 676 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000210206 [0,0,0,1,0,1|2,0,0]=4 677 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210206 [0,0,0,1,0,1|2,0,0]=4 678 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000210206 [0,0,0,1,0,1|2,0,0]=4 679 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 62a_100000210206_100000233703 [0,0,0,1,0,1|2,0,0]=4 680 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100000210206_100011291633 [0,0,0,1,0,1|2,0,0]=4 681 B15R2.1668 CC(C)Sc1ccc2ccccc2n1 62a_100011291633_100000210206 [0,0,0,1,0,1|2,0,0]=4 682 B15R2.1668 CC(C)Sc1cnc2ccccc2c1 62a_100000210206_100000737414 [0,0,0,1,0,1|2,0,0]=4 683 B15R2.1668 CC(C)Sc1cnc2ccccc2n1 62a_100000210206_100000756483 [0,0,0,1,0,1|2,0,0]=4 684 B15R2.1668 CC(C)Sc1cnc2ccccc2n1 62a_100000756483_100000210206 [0,0,0,1,0,1|2,0,0]=4 685 B15R2.1853 C=C(C)c1c(sc2c1cccc2)C=O 271570a_100000694244_100009816528 [0,0,0,1,0,1|0,0,2]=4 686 B15R2.27 Cc1cc(cc(=O)[nH]1)c2ccccc2 271570a_100011218836_100009861981 [0,1,0,1,0,0|1,0,1]=4 687 B15R2.63 CC(C)c1[nH]ncc1c2ccccc2 271570a_100011218836_100000690187 [0,1,0,1,0,0|1,0,0]=3 688 B15R2.63 CC(C)c1[nH]ncc1c2ccccn2 271570a_100011264011_100000690187 [0,1,0,1,0,0|2,0,0]=4 689 B15R2.63 CC(C)c1[nH]ncc1c2cccnc2 271570a_100000757648_100000690187 [0,1,0,1,0,0|2,0,0]=4 690 B15R2.63 CC(C)c1[nH]ncc1c2ccncc2 271570a_100000752145_100000690187 [0,1,0,1,0,0|2,0,0]=4 691 B15R2.63 CC(C)n1ccnc1c2ccccc2 271570a_100011218836_100009820211 [0,1,0,1,0,0|2,0,0]=4 692 B15R2.63 CC(C)n1cncc1c2ccccc2 271570a_100011218836_100009849687 [0,1,0,1,0,0|2,0,0]=4 693 B15R2.63 CC(C)n1nccc1c2ccccc2 271570a_100011218836_100010264481 [0,1,0,1,0,0|2,0,0]=4 694 B15R2.63 CC(C)n1nccc1c2ccccc2 271570a_100012347165_100000210277 [0,1,0,1,0,0|2,0,0]=4 695 B15R2.63 CC(C)n1ncnc1c2ccccc2 271570a_100011218836_100009989917 [0,1,0,1,0,0|2,0,0]=4 696 B15R2.53147 CC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200000210301 [0,1,0,1,0,0|1,0,1]=4 697 B15R2.53147 CC(C)NC1CC(=O)c2c1cccc2 2230a_100138425928_100010208147 [0,1,0,1,0,0|1,0,1]=4 698 B15R2.53147 CC(C)NC1OC(=O)c2c1cccc2 2230a_100138425928_100009813457 [0,1,0,1,0,0|1,0,1]=4 699 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100000210206_100010208147 [0,1,0,1,0,0|1,0,1]=4 700 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000210206 [0,1,0,1,0,0|1,0,1]=4 701 B15R2.53147 CC(C)SC1OC(=O)c2c1cccc2 62a_100000210206_100009813457 [0,1,0,1,0,0|1,0,1]=4 702 B15R2.53147 [13CH3]C(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_200025704644 [0,1,0,1,0,0|1,0,1]=4 703 B15R2.68122 CC(=Cc1cccc2c1cccc2)C 271570a_100102525489_100000210605 [0,1,0,1,0,0|1,0,1]=4 704 B15R2.68122 CC(=Cc1ccnc2c1cccc2)C 271570a_100102525489_100011215880 [0,1,0,1,0,0|1,0,1]=4 705 B15R2.68122 CC(=Cc1cncc2c1cccc2)C 271570a_100102525489_100000187577 [0,1,0,1,0,0|1,0,1]=4 706 B15R2.68122 CC(=Cc1cnnc2c1cccc2)C 271570a_100102525489_100000063506 [0,1,0,1,0,0|1,0,1]=4 707 B15R2.68122 CC(=Cc1nccc2c1cccc2)C 271570a_100102525489_100011934041 [0,1,0,1,0,0|1,0,1]=4 708 B15R2.68122 CC(=Cc1ncnc2c1cccc2)C 271570a_100102525489_100000217608 [0,1,0,1,0,0|1,0,1]=4 709 B15R2.68122 CC(C)Nc1cccc2c1cccc2 34a_100000185869_100000210206 [0,1,0,1,0,0|2,0,0]=4 710 B15R2.68122 CC(C)Nc1ccnc2c1cccc2 27a_100138425928_100011215880 [0,1,0,1,0,0|2,0,0]=4 711 B15R2.68122 CC(C)Nc1cnnc2c1cccc2 27a_100138425928_100000063506 [0,1,0,1,0,0|2,0,0]=4 712 B15R2.68122 CC(C)Nc1nccc2c1cccc2 27a_100138425928_100011934041 [0,1,0,1,0,0|2,0,0]=4 713 B15R2.68122 CC(C)Nc1ncnc2c1cccc2 27a_100138425928_100000217608 [0,1,0,1,0,0|2,0,0]=4 714 B15R2.68122 CC(C)Oc1cccc2c1cccc2 34a_100000210388_100000210206 [0,1,0,1,0,0|2,0,0]=4 715 B15R2.68122 CC(C)Oc1cccc2c1cccc2 7a_100000210388_100000210206 [0,1,0,1,0,0|2,0,0]=4 716 B15R2.68122 CC(C)Oc1cncc2c1cccc2 34a_100000066178_100000210206 [0,1,0,1,0,0|2,0,0]=4 717 B15R2.68122 CC(C)Oc1cncc2c1cccc2 7a_100000066178_100000210206 [0,1,0,1,0,0|2,0,0]=4 718 B15R2.68122 CC(C)Oc1nccc2c1cccc2 34a_102531767632_100000210206 [0,1,0,1,0,0|2,0,0]=4 719 B15R2.68122 CC(C)Sc1cccc2c1cccc2 62a_100000210206_100000210605 [0,1,0,1,0,0|2,0,0]=4 720 B15R2.68122 CC(C)Sc1ccnc2c1cccc2 62a_100000210206_100011215880 [0,1,0,1,0,0|2,0,0]=4 721 B15R2.68122 CC(C)Sc1ccnc2c1cccc2 62a_100011458314_100000210206 [0,1,0,1,0,0|2,0,0]=4 722 B15R2.68122 CC(C)Sc1cncc2c1cccc2 62a_100000187577_100000210206 [0,1,0,1,0,0|2,0,0]=4 723 B15R2.68122 CC(C)Sc1cncc2c1cccc2 62a_100000210206_100000187577 [0,1,0,1,0,0|2,0,0]=4 724 B15R2.68122 CC(C)Sc1cnnc2c1cccc2 62a_100000210206_100000063506 [0,1,0,1,0,0|2,0,0]=4 725 B15R2.68122 CC(C)Sc1nccc2c1cccc2 62a_100000210206_100011934041 [0,1,0,1,0,0|2,0,0]=4 726 B15R2.68122 CC(C)Sc1nccc2c1cccc2 62a_100011934041_100000210206 [0,1,0,1,0,0|2,0,0]=4 727 B15R2.68122 CC(C)Sc1ncnc2c1cccc2 62a_100000210206_100000217608 [0,1,0,1,0,0|2,0,0]=4 728 B15R2.68122 CC(C)Sc1ncnc2c1cccc2 62a_100000753007_100000210206 [0,1,0,1,0,0|2,0,0]=4 729 B15R2.11 CC(C)(C)Oc1csc2c1cccc2 34a_100000077758_100000210625 [0,1,0,1,0,0|1,1,0]=4 730 B15R2.11 CC(C)(C)Sc1coc2c1cccc2 62a_100000211941_100009812202 [0,1,0,1,0,0|1,0,1]=4 731 B15R2.11 CC(C)(C)Sc1csc2c1cccc2 62a_100000211941_100009813928 [0,1,0,1,0,0|1,1,0]=4 732 B15R2.9410 CC(=Cc1csc2c1cc(cc2)N)C 271570a_100102525489_100011178648 [0,1,0,1,0,0|0,1,1]=4 733 B15R2.9410 CC(C)Sc1csc2c1cc(cc2)N 62a_100000210206_100011178648 [0,1,0,1,0,0|1,1,0]=4 734 B15R2.9410 CC(C)Sc1csc2c1cc(cc2)N 62a_100011178648_100000210206 [0,1,0,1,0,0|1,1,0]=4 735 B15R2.1255 CC(=C(C)c1coc2c1cccc2)C 271570a_200000049429_100009812202 [0,1,0,1,0,0|0,0,2]=4 736 B15R2.1255 CC(=C(C)c1csc2c1cccc2)C 271570a_200000049429_100009813928 [0,1,0,1,0,0|0,1,1]=4 737 B15R2.1255 CC(C)C(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210206 [0,1,0,1,0,0|1,0,0]=3 738 B15R2.1255 CC(C)C(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210206 [0,1,0,1,0,0|1,0,1]=4 739 B15R2.1255 CN(C)C(=O)C1=CCc2c1cccc2 11a_100102631434_100000037392 [0,1,0,1,0,0|2,0,0]=4 740 B15R2.1255 CN(C)C(=O)C1=CCc2c1cccc2 1626a_100102631434_100000037392 [0,1,0,1,0,0|2,0,0]=4 741 B15R2.1255 CN(C)C(=O)C1=CCc2c1cccc2 240690a_100102631434_100000037392 [0,1,0,1,0,0|2,0,0]=4 742 B15R2.4 CC(CO)Oc1csc2c1cccc2 34a_100000077758_100012180447 [0,1,0,1,0,0|1,1,0]=4 743 B15R2.4 CC(CO)Oc1csc2c1cccc2 7a_100000077758_100012180447 [0,1,0,1,0,0|1,1,0]=4 744 B15R2.4 CC(CO)Sc1coc2c1cccc2 62a_100012180447_100009812202 [0,1,0,1,0,0|1,0,1]=4 745 B15R2.4 CC(CO)Sc1csc2c1cccc2 62a_100012180447_100009813928 [0,1,0,1,0,0|1,1,0]=4 746 B15R2.4 CCC(C)Oc1csc2c1cccc2 34a_100000077758_100011215416 [0,1,0,1,0,0|1,1,0]=4 747 B15R2.4 CCC(C)Oc1csc2c1cccc2 7a_100000077758_100000758301 [0,1,0,1,0,0|1,1,0]=4 748 B15R2.4 CCC(C)Sc1coc2c1cccc2 62a_100000758301_100009812202 [0,1,0,1,0,0|1,0,1]=4 749 B15R2.4 CCC(C)Sc1csc2c1cccc2 62a_100000758301_100009813928 [0,1,0,1,0,0|1,1,0]=4 750 B15R2.4 CNC(C)Cc1c[nH]c2c1cccc2 270004a_106832991635_100000030300 [0,1,0,1,0,0|1,0,1]=4 751 B15R2.4 COC(C)Sc1coc2c1cccc2 62a_100009879195_100009812202 [0,1,0,1,0,0|1,0,1]=4 752 B15R2.4 COC(C)Sc1csc2c1cccc2 62a_100009879195_100009813928 [0,1,0,1,0,0|1,1,0]=4 753 B15R2.4 C[C@H](CO)Sc1coc2c1cccc2 62a_100016084084_100009812202 [0,1,0,1,0,0|1,0,1]=4 754 B15R2.4 C[C@H](CO)Sc1csc2c1cccc2 62a_100016084084_100009813928 [0,1,0,1,0,0|1,1,0]=4 755 B15R2.33 Cc1cc(c(=O)[nH]n1)c2ccccc2 271570a_100011218836_100009819039 [0,1,0,1,0,0|1,0,1]=4 756 B15R2.33 Cn1ccc(=O)c(c1)c2ccccc2 271570a_100011218836_100010750718 [0,1,0,1,0,0|1,0,1]=4 757 B15R2.94 Cc1cc(cnc1C)c2ccccc2 271570a_100011218836_100000697892 [0,1,0,1,0,0|1,0,1]=4 758 B15R2.94 Cc1cc(cnc1C)c2ccccc2 271570a_100012343760_100000210277 [0,1,0,1,0,0|1,0,1]=4 759 B15R2.94 Cc1ccc(cc1C)c2ccccc2 271570a_100011217131_100000210277 [0,1,0,1,0,0|1,0,1]=4 760 B15R2.94 Cc1ccc(cc1C)c2ccccc2 271570a_100011218836_100011215607 [0,1,0,1,0,0|1,0,1]=4 761 B15R2.1682 CNC1CC(=O)N(C1)c2ccccc2 2230a_100000718269_200000210301 [0,1,0,1,0,0|1,0,1]=4 762 B15R2.1682 [13CH3]NC1CC(=O)N(C1)c2ccccc2 2230a_100000718269_200025704644 [0,1,0,1,0,0|1,0,1]=4 763 B15R2.993 CC(=Cc1c(oc2c1cccc2)C)C 271570a_100102525489_200010236113 [0,1,0,1,0,0|0,0,2]=4 764 B15R2.993 CC(=Cc1c(sc2c1cccc2)C)C 271570a_100102525489_100010002616 [0,1,0,1,0,0|0,1,1]=4 765 B15R2.993 CC(C)SC1C(=O)Nc2c1cccc2 62a_100000210206_200009996675 [0,1,0,1,0,0|1,0,1]=4 766 B15R2.993 Cc1oc2ccccc2c1SC(C)C 62a_100000210206_200010236113 [0,1,0,1,0,0|1,0,1]=4 767 B15R2.993 Cc1sc2ccccc2c1SC(C)C 62a_100000210206_100010002616 [0,1,0,1,0,0|1,1,0]=4 768 B15R2.993 Cc1sc2ccccc2c1SC(C)C 62a_100010002616_100000210206 [0,1,0,1,0,0|1,1,0]=4 769 B15R2.16426 CC(=O)C(SC1CC1)c2ccccc2 62a_100009888967_100000211595 [0,1,0,1,0,0|1,0,1]=4 770 B15R2.16426 NC(=O)C(OC1CC1)c2ccccc2 34a_100011200849_100000211595 [0,1,0,1,0,0|1,0,1]=4 771 B15R2.16426 NC(=O)C(SC1CC1)c2ccccc2 62a_100000188848_100000211595 [0,1,0,1,0,0|1,0,1]=4 772 B15R2.16426 O=C(O)C(NC1CC1)c2ccccc2 269956a_100000230147_100000211595 [0,1,0,1,0,0|1,0,1]=4 773 B15R3.1737 c1ccc2c(csc2c1)OC3CC3 34a_100000077758_100000211595 [0,0,0,2,0,0|1,1,0]=4 774 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,0,0,0,1,0|1,0,1]=4 775 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,0,0,0,1,0|1,0,1]=4 776 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,0,0,0,1,0|0,0,2]=4 777 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,0,0,0,1,0|0,0,0]=2 778 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,0,0,0,1,0|1,0,1]=4 779 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,0,0,0,1,0|1,0,1]=4 780 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,0,0,0,1,0|1,0,1]=4 781 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,0,0,0,1,0|1,0,1]=4 782 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,0,0,0,1,0|1,0,1]=4 783 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,0,0,0,1,0|1,0,1]=4 784 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,0,0,0,1,0|1,0,1]=4 785 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,0,0,0,1,0|1,0,1]=4 786 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,0,0,0,1,0|1,0,1]=4 787 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,0,0,0,1,0|1,0,1]=4 788 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,0,0,0,1,0|1,0,1]=4 789 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,0,0,0,1,0|1,0,0]=3 790 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,0,0,0,1,0|1,0,0]=3 791 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,0,0,0,1,0|1,0,0]=3 792 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,0,0,0,1,0|1,0,0]=3 793 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [1,0,0,0,0,1|0,0,1]=3 794 B13R1.45 CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000185851 [1,0,0,0,0,1|1,0,1]=4 795 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [1,0,0,0,0,1|0,0,1]=3 796 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [1,0,0,0,0,1|0,0,1]=3 797 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [1,0,0,0,0,1|0,0,1]=3 798 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [1,0,0,0,0,1|0,0,1]=3 799 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [1,0,0,0,0,1|0,0,1]=3 800 B13R1.45 CC(C)NCC(=O)c1ccccn1 34a_100138425928_100000027445 [1,0,0,0,0,1|1,0,1]=4 801 B13R1.45 CC(C)NNC(=O)c1ccccc1 22a_100000741168_100000185807 [1,0,0,0,0,1|1,0,0]=3 802 B13R1.45 CC(C)OCC(=O)c1ccccn1 34a_100000212225_100000027445 [1,0,0,0,0,1|1,0,1]=4 803 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [1,0,0,0,0,1|0,0,1]=3 804 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [1,0,0,0,0,1|0,0,1]=3 805 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000210206 [1,0,0,0,0,1|1,0,1]=4 806 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000210206_100000027445 [1,0,0,0,0,1|1,0,1]=4 807 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000210206_100000757877 [1,0,0,0,0,1|1,0,1]=4 808 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000757877_100000210206 [1,0,0,0,0,1|1,0,1]=4 809 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000210206 [1,0,0,0,0,1|1,0,1]=4 810 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000210206_100000027454 [1,0,0,0,0,1|1,0,1]=4 811 B13R1.45 CC(C)SCS(=O)c1ccccc1 62a_100000210206_100000031784 [1,0,0,0,0,1|1,0,1]=4 812 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [1,0,0,0,0,1|1,0,1]=4 813 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [1,0,0,0,0,1|1,0,1]=4 814 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [1,0,0,0,0,1|1,0,1]=4 815 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [1,0,0,0,0,1|1,0,1]=4 816 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [1,0,0,0,0,1|1,0,1]=4 817 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [1,0,0,0,0,1|1,0,1]=4 818 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [1,0,0,0,0,1|1,0,1]=4 819 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [1,0,0,0,0,1|0,0,1]=3 820 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [1,0,0,0,0,1|1,0,1]=4 821 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [1,0,0,0,0,1|1,0,1]=4 822 B13R1.348 CC(=CC(=O)Cc1ccccn1)C 1458a_100000211388_100000721315 [1,0,0,0,0,1|1,0,1]=4 823 B13R1.348 CC(=CC(=O)Cc1cccnc1)C 1458a_100000211388_100000733263 [1,0,0,0,0,1|1,0,1]=4 824 B13R1.348 CC(=CC(=O)Cc1ccncc1)C 1458a_100000211388_100000705612 [1,0,0,0,0,1|1,0,1]=4 825 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [1,0,0,0,0,1|0,0,1]=3 826 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [1,0,0,0,0,1|0,0,1]=3 827 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [1,0,0,0,0,1|0,0,1]=3 828 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [1,0,0,0,0,1|1,0,1]=4 829 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [1,0,0,0,0,1|1,0,1]=4 830 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [1,0,0,0,0,1|1,0,1]=4 831 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [1,0,0,0,0,1|1,0,1]=4 832 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [1,0,0,0,0,1|1,0,1]=4 833 B13R1.348 CC(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000210624 [1,0,0,0,0,1|1,0,1]=4 834 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [1,0,0,0,0,1|0,0,1]=3 835 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000210554_100000721315 [1,0,0,0,0,1|1,0,1]=4 836 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000210624 [1,0,0,0,0,1|1,0,1]=4 837 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000210554_100000733263 [1,0,0,0,0,1|1,0,1]=4 838 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000210624 [1,0,0,0,0,1|1,0,1]=4 839 B13R1.348 CC(C)CC(=O)Cc1ccncc1 1458a_100000210554_100000705612 [1,0,0,0,0,1|1,0,1]=4 840 B13R1.348 CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000210554 [1,0,0,0,0,1|0,0,1]=3 841 B13R1.348 CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000210554 [1,0,0,0,0,1|0,0,1]=3 842 B13R1.348 CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000210554 [1,0,0,0,0,1|0,0,1]=3 843 B13R1.348 CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000210554 [1,0,0,0,0,1|0,0,1]=3 844 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 11a_100138425928_200000086051 [1,0,0,0,0,1|2,0,0]=4 845 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 240690a_100138425928_200000086051 [1,0,0,0,0,1|2,0,0]=4 846 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 527a_100138425928_200000086051 [1,0,0,0,0,1|2,0,0]=4 847 B13R1.348 CC(C)NC(=O)Cc1ccccn1 11a_100138425928_100000233486 [1,0,0,0,0,1|2,0,0]=4 848 B13R1.348 CC(C)NC(=O)Cc1cccnc1 11a_100138425928_100000737805 [1,0,0,0,0,1|2,0,0]=4 849 B13R1.348 CC(C)NC(=O)Cc1cccnc1 240690a_100138425928_100000737805 [1,0,0,0,0,1|2,0,0]=4 850 B13R1.348 CC(C)NC(=O)Cc1cccnc1 527a_100138425928_100000737805 [1,0,0,0,0,1|2,0,0]=4 851 B13R1.348 CC(C)NC(=O)Cc1ccncc1 11a_100138425928_100011201483 [1,0,0,0,0,1|2,0,0]=4 852 B13R1.348 CC(C)NC(=O)Cc1ccncc1 240690a_100138425928_100011201483 [1,0,0,0,0,1|2,0,0]=4 853 B13R1.348 CC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100138425928 [1,0,0,0,0,1|1,0,0]=3 854 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [1,0,0,0,0,1|1,0,1]=4 855 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [1,0,0,0,0,1|1,0,1]=4 856 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [1,0,0,0,0,1|1,0,1]=4 857 B13R1.348 CN(C)CC(=O)Nc1ccccc1 11a_100000106764_100000750896 [1,0,0,0,0,1|1,0,1]=4 858 B13R1.348 CN(C)CC(=O)Nc1ccccc1 2230a_100102631434_100000182850 [1,0,0,0,0,1|1,0,1]=4 859 B13R1.348 CN(C)CC(=O)Nc1ccccc1 22a_100000106764_100000750896 [1,0,0,0,0,1|1,0,1]=4 860 B13R1.348 CN(C)CC(=O)Nc1ccccc1 269982a_100102631434_100000182850 [1,0,0,0,0,1|1,0,1]=4 861 B13R1.348 CN(C)CC(=O)Nc1ccccc1 527a_100000106764_100000750896 [1,0,0,0,0,1|1,0,1]=4 862 B13R1.348 CN(C)CC(=O)Oc1ccccc1 2230a_100102631434_100009813826 [1,0,0,0,0,1|1,0,1]=4 863 B13R1.348 CN(C)CC(=O)Oc1ccccc1 269982a_100102631434_100009813826 [1,0,0,0,0,1|1,0,1]=4 864 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [1,0,0,0,0,1|1,0,1]=4 865 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [1,0,0,0,0,1|1,0,1]=4 866 B13R1.348 C[S+](C)CC(=O)Cc1ccccc1 1458a_200159257847_100015291786 [1,0,0,0,0,1|1,0,1]=4 867 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 11a_100000106764_200159257847 [1,0,0,0,0,1|1,0,1]=4 868 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 1626a_100000106764_200159257847 [1,0,0,0,0,1|1,0,1]=4 869 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 22a_100000106764_200159257847 [1,0,0,0,0,1|1,0,1]=4 870 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 527a_100000106764_200159257847 [1,0,0,0,0,1|1,0,1]=4 871 B15R1.5331 C/C=C(/C=NNC(C)C)\c1ccccc1 4a_100000741168_200015352894 [0,0,0,0,0,2|1,0,0]=3