0 B12R1.71 C#CCNc1ccc(cc1)OC 34a_100000184247_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.71 C#CCOc1ccc(cc1)OC 34a_100000210503_100000184674 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.71 C#CCSc1ccc(cc1)OC 62a_100000038162_100000171711 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.71 C#Cc1ccc(cc1)NCC=O 34a_100011215031_200009817547 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,0,0,0,0,0|2,1,1]=4 8 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,0,0,0,0,0|2,1,1]=4 13 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,0,0,0,0,0|2,1,1]=4 14 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,0,0,0,0,0|2,1,1]=4 15 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,0,0,0,0,0|2,1,1]=4 16 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,0,0,0,0,0|2,1,1]=4 17 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,0,0,0,0,0|3,0,1]=4 18 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,0,0,0,0,0|3,0,1]=4 22 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,0,0,0,0,0|2,1,1]=4 25 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,0,0,0,0,0|2,1,1]=4 26 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.71 C=Cc1ccc(cc1)C=COC 271570a_100011290941_100020630460 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.71 C=Cc1ccc(cc1)CCC=O 271570a_100011290941_100011361538 [0,0,0,0,0,0|1,0,3]=4 32 B12R1.71 C=Cc1ccc(cc1)NCC=O 34a_100011218248_200009817547 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.71 C=Cc1ccc(cc1)OCC=O 34a_100000189437_200009817547 [0,0,0,0,0,0|2,0,2]=4 34 B12R1.71 C=Cc1ccc(cc1)OCC=O 7a_100000189437_200015260668 [0,0,0,0,0,0|2,0,2]=4 35 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_100000748128_200015260668 [0,0,0,0,0,0|2,0,2]=4 36 B12R1.71 C=Cc1ccc(cc1)SCC=O 62a_200015260668_100000748128 [0,0,0,0,0,0|2,0,2]=4 37 B12R1.71 CC=NNc1ccc(cc1)CC 4a_100015204395_200000210099 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.71 CC=NNc1ccc(cc1)SC 4a_100000006515_200000210099 [0,0,0,0,0,0|3,1,0]=4 40 B12R1.71 CC=NNc1ccc(nc1)OC 4a_100102564821_200000210099 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.71 CCCCc1ccc(cc1)OC 271570a_100020621405_100000171711 [0,0,0,0,0,0|1,0,3]=4 42 B12R1.71 CCCCc1ccc(cc1)OC 34a_100011216022_200000210301 [0,0,0,0,0,0|1,0,3]=4 43 B12R1.71 CCCCc1ccc(cc1)OC 7a_100011216022_200000210301 [0,0,0,0,0,0|1,0,3]=4 44 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 34a_100011216022_200025704644 [0,0,0,0,0,0|1,0,3]=4 45 B12R1.71 CCCCc1ccc(cc1)O[13CH3] 7a_100011216022_200025704644 [0,0,0,0,0,0|1,0,3]=4 46 B12R1.71 CCCNc1ccc(cc1)OC 34a_100000184247_100000210303 [0,0,0,0,0,0|2,0,2]=4 47 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000185468_200000210301 [0,0,0,0,0,0|2,0,2]=4 48 B12R1.71 CCCOc1ccc(cc1)OC 34a_100000210503_100000210303 [0,0,0,0,0,0|2,0,2]=4 49 B12R1.71 CCCOc1ccc(cc1)OC 7a_100000185468_200000210301 [0,0,0,0,0,0|2,0,2]=4 50 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 34a_100000185468_200025704644 [0,0,0,0,0,0|2,0,2]=4 51 B12R1.71 CCCOc1ccc(cc1)O[13CH3] 7a_100000185468_200025704644 [0,0,0,0,0,0|2,0,2]=4 52 B12R1.71 CCCSc1ccc(cc1)OC 62a_100000210303_100000171711 [0,0,0,0,0,0|2,0,2]=4 53 B12R1.71 CCNCc1ccc(cc1)OC 207a_100015525214_100000169835 [0,0,0,0,0,0|2,0,2]=4 54 B12R1.71 CCNCc1ccc(cc1)OC 2230a_100015525214_100000742318 [0,0,0,0,0,0|2,0,2]=4 55 B12R1.71 CCNCc1ccc(cc1)OC 270004a_100015525214_100000169835 [0,0,0,0,0,0|2,0,2]=4 56 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000185587_100000210202 [0,0,0,0,0,0|2,0,2]=4 57 B12R1.71 CCNCc1ccc(cc1)OC 34a_100000748449_200000210301 [0,0,0,0,0,0|2,0,2]=4 58 B12R1.71 CCNCc1ccc(cc1)O[13CH3] 34a_100000748449_200025704644 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.71 CCOCc1ccc(cc1)OC 34a_100000173359_100000210202 [0,0,0,0,0,0|2,0,2]=4 60 B12R1.71 CCOCc1ccc(cc1)OC 34a_100121572206_100000742318 [0,0,0,0,0,0|2,0,2]=4 61 B12R1.71 CCSCc1ccc(cc1)OC 62a_100000210202_100000742318 [0,0,0,0,0,0|2,0,2]=4 62 B12R1.71 CCc1ccc(cc1)NCC=O 2230a_100000211069_200015260668 [0,0,0,0,0,0|2,0,1]=3 63 B12R1.71 CCc1ccc(cc1)NCC=O 34a_100000211069_200009817547 [0,0,0,0,0,0|2,0,1]=3 64 B12R1.71 CCc1ccc(cc1)OCC=O 34a_100000211359_200009817547 [0,0,0,0,0,0|2,0,1]=3 65 B12R1.71 CCc1ccc(cc1)OCC=O 7a_100000211359_200015260668 [0,0,0,0,0,0|2,0,1]=3 66 B12R1.71 CCc1ccc(cc1)SCC=O 62a_100011215824_200015260668 [0,0,0,0,0,0|2,0,1]=3 67 B12R1.71 CCc1ccc(cc1)SCC=O 62a_200015260668_100011215824 [0,0,0,0,0,0|2,0,1]=3 68 B12R1.71 CCc1ccc(cn1)SCC=O 62a_100009820025_200015260668 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.71 CCc1ccc(cn1)SCC=O 62a_200015260668_100009820025 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.71 CCc1ccc(nc1)SCC=O 62a_100009843584_200015260668 [0,0,0,0,0,0|3,0,1]=4 71 B12R1.71 CCc1ccc(nc1)SCC=O 62a_200015260668_100009843584 [0,0,0,0,0,0|3,0,1]=4 72 B12R1.71 CNCCc1ccc(cc1)OC 2230a_100000210796_200000210301 [0,0,0,0,0,0|2,0,2]=4 73 B12R1.71 CNCCc1ccc(cc1)OC 2230a_106832991635_100011713689 [0,0,0,0,0,0|2,0,2]=4 74 B12R1.71 CNCCc1ccc(cc1)OC 270004a_106832991635_100011242372 [0,0,0,0,0,0|2,0,2]=4 75 B12R1.71 CNCCc1ccc(cc1)OC 34a_100000210796_200000210301 [0,0,0,0,0,0|2,0,2]=4 76 B12R1.71 CNCCc1ccc(cc1)OC 34a_100016989440_200000210301 [0,0,0,0,0,0|2,0,2]=4 77 B12R1.71 CNCCc1ccc(cc1)OC 34a_100102657272_100000184700 [0,0,0,0,0,0|2,0,2]=4 78 B12R1.71 CNCCc1ccc(cc1)OC 7a_106832991635_100000184700 [0,0,0,0,0,0|2,0,2]=4 79 B12R1.71 CNCCc1ccc(cc1)O[13CH3] 34a_100016989440_200025704644 [0,0,0,0,0,0|2,0,2]=4 80 B12R1.71 CNc1ccc(cc1)OCC=O 34a_100000182112_200009817547 [0,0,0,0,0,0|2,0,1]=3 81 B12R1.71 CNc1ccc(cc1)SCC=O 62a_100000743151_200015260668 [0,0,0,0,0,0|2,0,1]=3 82 B12R1.71 CNc1ccc(cc1)SCC=O 62a_200015260668_100000743151 [0,0,0,0,0,0|2,0,1]=3 83 B12R1.71 CNc1ccc(cn1)SCC=O 62a_100000741341_200015260668 [0,0,0,0,0,0|3,0,1]=4 84 B12R1.71 CNc1ccc(cn1)SCC=O 62a_200015260668_100000741341 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.71 CNc1ccc(nc1)SCC=O 62a_100000764248_200015260668 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.71 CNc1ccc(nc1)SCC=O 62a_200015260668_100000764248 [0,0,0,0,0,0|3,0,1]=4 87 B12R1.71 COC=Cc1ccc(cc1)SC 62a_100020630460_200000210301 [0,0,0,0,0,0|2,1,0]=3 88 B12R1.71 COC=Cc1ccc(cc1)SC 62a_200000210301_100020630460 [0,0,0,0,0,0|2,1,0]=3 89 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_100020630460_200025704644 [0,0,0,0,0,0|2,1,0]=3 90 B12R1.71 COC=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100020630460 [0,0,0,0,0,0|2,1,0]=3 91 B12R1.71 COCCc1ccc(cc1)OC 34a_100000211638_200000210301 [0,0,0,0,0,0|2,0,2]=4 92 B12R1.71 COCCc1ccc(cc1)OC 34a_100011219623_200000210301 [0,0,0,0,0,0|2,0,2]=4 93 B12R1.71 COCCc1ccc(cc1)OC 34a_100138415774_100000184700 [0,0,0,0,0,0|2,0,2]=4 94 B12R1.71 COCCc1ccc(cc1)OC 7a_100000211638_200000210301 [0,0,0,0,0,0|2,0,2]=4 95 B12R1.71 COCCc1ccc(cc1)OC 7a_100011219623_200000210301 [0,0,0,0,0,0|2,0,2]=4 96 B12R1.71 COCCc1ccc(cc1)O[13CH3] 34a_100000211638_200025704644 [0,0,0,0,0,0|2,0,2]=4 97 B12R1.71 COCCc1ccc(cc1)O[13CH3] 7a_100000211638_200025704644 [0,0,0,0,0,0|2,0,2]=4 98 B12R1.71 COCOc1ccc(cc1)OC 34a_200012265912_200000210301 [0,0,0,0,0,0|3,0,1]=4 99 B12R1.71 COCOc1ccc(cc1)O[13CH3] 34a_200012265912_200025704644 [0,0,0,0,0,0|3,0,1]=4 100 B12R1.71 COCSc1ccc(cc1)OC 62a_100000766300_100000171711 [0,0,0,0,0,0|3,0,1]=4 101 B12R1.71 COc1ccc(cc1)CCC#N 34a_200011217972_200000210301 [0,0,0,0,0,0|1,0,3]=4 102 B12R1.71 COc1ccc(cc1)CCC#N 7a_200011217972_200000210301 [0,0,0,0,0,0|1,0,3]=4 103 B12R1.71 COc1ccc(cc1)CCCO 34a_100011215268_200000210301 [0,0,0,0,0,0|0,0,4]=4 104 B12R1.71 COc1ccc(cc1)CCCO 7a_100011215268_200000210301 [0,0,0,0,0,0|0,0,4]=4 105 B12R1.71 COc1ccc(cc1)CCN[13CH3] 2230a_100000210796_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B12R1.71 COc1ccc(cc1)CCN[13CH3] 34a_100000210796_200025704644 [0,0,0,0,0,0|2,0,2]=4 107 B12R1.71 COc1ccc(cc1)CCO[13CH3] 34a_100011219623_200025704644 [0,0,0,0,0,0|2,0,2]=4 108 B12R1.71 COc1ccc(cc1)CCO[13CH3] 7a_100011219623_200025704644 [0,0,0,0,0,0|2,0,2]=4 109 B12R1.71 COc1ccc(cc1)CCSC 62a_100011713689_200000210301 [0,0,0,0,0,0|2,0,2]=4 110 B12R1.71 COc1ccc(cc1)CCSC 62a_200000210301_100011713689 [0,0,0,0,0,0|2,0,2]=4 111 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_100011713689_200025704644 [0,0,0,0,0,0|2,0,2]=4 112 B12R1.71 COc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713689 [0,0,0,0,0,0|2,0,2]=4 113 B12R1.71 COc1ccc(cc1)CNCF 34a_100000185587_100015361967 [0,0,0,0,0,0|2,0,2]=4 114 B12R1.71 COc1ccc(cc1)COCF 34a_100000173359_100015361967 [0,0,0,0,0,0|2,0,2]=4 115 B12R1.71 COc1ccc(cc1)CSCF 62a_100015361967_100000742318 [0,0,0,0,0,0|2,0,2]=4 116 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,0,0,0,0,0|1,0,1]=2 117 B12R1.71 COc1ccc(cc1)NCCF 34a_100000184247_100011217306 [0,0,0,0,0,0|2,0,2]=4 118 B12R1.71 COc1ccc(cc1)NCCO 34a_100000184247_100000211926 [0,0,0,0,0,0|1,0,3]=4 119 B12R1.71 COc1ccc(cc1)NCSC 34a_100000184247_100011218213 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,0,0,0,0,0|1,0,1]=2 121 B12R1.71 COc1ccc(cc1)OCCF 34a_100000210503_100011217306 [0,0,0,0,0,0|2,0,2]=4 122 B12R1.71 COc1ccc(cc1)OCCO 34a_100000210503_100000211926 [0,0,0,0,0,0|1,0,3]=4 123 B12R1.71 COc1ccc(cc1)OCSC 34a_100000210503_100011218213 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.71 COc1ccc(cc1)SCC#N 62a_100011215382_100000171711 [0,0,0,0,0,0|2,0,2]=4 125 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,0,0,0,0,0|1,0,1]=2 126 B12R1.71 COc1ccc(cc1)SCCF 62a_100011217306_100000171711 [0,0,0,0,0,0|2,0,2]=4 127 B12R1.71 COc1ccc(cc1)SCCO 62a_100000211926_100000171711 [0,0,0,0,0,0|1,0,3]=4 128 B12R1.71 COc1ccc(cc1)SCSC 62a_100011218213_100000171711 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.71 COc1ccc(cn1)OCC=O 34a_100011934560_200009817547 [0,0,0,0,0,0|2,0,1]=3 130 B12R1.71 COc1ccc(cn1)SCC=O 62a_100000047065_200015260668 [0,0,0,0,0,0|2,0,1]=3 131 B12R1.71 COc1ccc(cn1)SCC=O 62a_200015260668_100000047065 [0,0,0,0,0,0|2,0,1]=3 132 B12R1.71 COc1ccc(nc1)OCC=O 34a_100012002028_200009817547 [0,0,0,0,0,0|2,0,1]=3 133 B12R1.71 COc1ccc(nc1)SCC=O 62a_100000755202_200015260668 [0,0,0,0,0,0|2,0,1]=3 134 B12R1.71 COc1ccc(nc1)SCC=O 62a_200015260668_100000744180 [0,0,0,0,0,0|2,0,1]=3 135 B12R1.71 COc1ccc(nn1)SCC=O 62a_100009819040_200015260668 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.71 COc1ccc(nn1)SCC=O 62a_200015260668_100009819040 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.71 COc1cnc(cn1)SCC=O 62a_100011998698_200015260668 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.71 COc1cnc(cn1)SCC=O 62a_200015260668_100011998698 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.71 COc1cnc(nc1)SCC=O 62a_100000069167_200015260668 [0,0,0,0,0,0|3,0,1]=4 140 B12R1.71 COc1cnc(nc1)SCC=O 62a_200015260668_100000069167 [0,0,0,0,0,0|3,0,1]=4 141 B12R1.71 COc1ncc(cn1)OCC=O 34a_100000099601_200009817547 [0,0,0,0,0,0|3,0,1]=4 142 B12R1.71 COc1ncc(cn1)OCC=O 7a_100000099601_200015260668 [0,0,0,0,0,0|3,0,1]=4 143 B12R1.71 COc1ncc(cn1)SCC=O 62a_100000686852_200015260668 [0,0,0,0,0,0|3,0,1]=4 144 B12R1.71 COc1ncc(cn1)SCC=O 62a_200015260668_100000686852 [0,0,0,0,0,0|3,0,1]=4 145 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,0,0,0,0,0|0,1,0]=1 146 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,0,0,0,0,0|0,1,0]=1 147 B12R1.71 CSc1ccc(cc1)CCC=O 62a_100011361538_200000210301 [0,0,0,0,0,0|0,1,2]=3 148 B12R1.71 CSc1ccc(cc1)CCC=O 62a_200000210301_100011361538 [0,0,0,0,0,0|0,1,2]=3 149 B12R1.71 CSc1ccc(cc1)NCC=O 34a_100000212337_200009817547 [0,0,0,0,0,0|1,1,1]=3 150 B12R1.71 CSc1ccc(cc1)OCC=O 34a_100000211864_200009817547 [0,0,0,0,0,0|1,1,1]=3 151 B12R1.71 CSc1ccc(cc1)SCC=O 62a_100011263217_200015260668 [0,0,0,0,0,0|1,1,1]=3 152 B12R1.71 CSc1ccc(cc1)SCC=O 62a_200015260668_100011263217 [0,0,0,0,0,0|1,1,1]=3 153 B12R1.71 CSc1ccc(cn1)SCC=O 62a_100011408404_200015260668 [0,0,0,0,0,0|2,1,1]=4 154 B12R1.71 CSc1ccc(cn1)SCC=O 62a_200015260668_100011408404 [0,0,0,0,0,0|2,1,1]=4 155 B12R1.71 CSc1ccc(nc1)SCC=O 62a_100009820866_200015260668 [0,0,0,0,0,0|2,1,1]=4 156 B12R1.71 CSc1ccc(nc1)SCC=O 62a_200015260668_100009820866 [0,0,0,0,0,0|2,1,1]=4 157 B12R1.71 N#Cc1ccc(cc1)NCC=O 34a_100000185469_200009817547 [0,0,0,0,0,0|3,0,1]=4 158 B12R1.71 N#Cc1ccc(cc1)OCC=O 34a_100000210344_200009817547 [0,0,0,0,0,0|3,0,1]=4 159 B12R1.71 N#Cc1ccc(cc1)OCC=O 7a_100000210344_200015260668 [0,0,0,0,0,0|3,0,1]=4 160 B12R1.71 N#Cc1ccc(cc1)SCC=O 62a_200015260668_100000184291 [0,0,0,0,0,0|3,0,1]=4 161 B12R1.71 NCc1ccc(cc1)OCC=O 34a_100000185549_200009817547 [0,0,0,0,0,0|3,0,1]=4 162 B12R1.71 NCc1ccc(cc1)SCC=O 62a_100016989417_200015260668 [0,0,0,0,0,0|3,0,1]=4 163 B12R1.71 NCc1ccc(cc1)SCC=O 62a_200015260668_100016989417 [0,0,0,0,0,0|3,0,1]=4 164 B12R1.71 NNc1ccc(cc1)SCC=O 62a_100016988836_200015260668 [0,0,0,0,0,0|3,0,1]=4 165 B12R1.71 NNc1ccc(cc1)SCC=O 62a_200015260668_100016988836 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.71 O=CCNc1ccc(cc1)CO 2230a_100011215238_200015260668 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.71 O=CCNc1ccc(cc1)CO 34a_100011215238_200009817547 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.71 O=CCOc1ccc(cc1)CO 34a_100000211755_200009817547 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_100000188517_200015260668 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.71 O=CCSc1ccc(cc1)C=O 62a_200015260668_100000188517 [0,0,0,0,0,0|3,0,1]=4 171 B12R1.71 O=CCSc1ccc(cc1)CF 62a_100010268989_200015260668 [0,0,0,0,0,0|3,0,1]=4 172 B12R1.71 O=CCSc1ccc(cc1)CF 62a_200015260668_100010268989 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.71 O=CCSc1ccc(cc1)CO 62a_100000690907_200015260668 [0,0,0,0,0,0|3,0,1]=4 174 B12R1.71 O=CCSc1ccc(cc1)CO 62a_200015260668_100000690907 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 34a_200011217972_200025704644 [0,0,0,0,0,0|1,0,3]=4 176 B12R1.71 [13CH3]Oc1ccc(cc1)CCC#N 7a_200011217972_200025704644 [0,0,0,0,0,0|1,0,3]=4 177 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 34a_100011215268_200025704644 [0,0,0,0,0,0|0,0,4]=4 178 B12R1.71 [13CH3]Oc1ccc(cc1)CCCO 7a_100011215268_200025704644 [0,0,0,0,0,0|0,0,4]=4 179 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,0,0,0,0,0|0,1,0]=1 180 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,0,0,0,0,0|0,1,0]=1 181 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_100011361538_200025704644 [0,0,0,0,0,0|0,1,2]=3 182 B12R1.71 [13CH3]Sc1ccc(cc1)CCC=O 62a_200025704644_100011361538 [0,0,0,0,0,0|0,1,2]=3 183 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,0,0,0,0,0|2,0,1]=4 184 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,0,0,0,0,0|2,0,1]=4 185 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,0,0,0,0,0|2,0,1]=4 187 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,0,0,0,0,0|2,0,1]=4 188 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,0,0,0,0,0|2,0,1]=4 189 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,0,0,0,0,0|2,0,1]=4 190 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,0,0,0,0,0|2,0,1]=4 191 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,0,0,0,0,0|2,0,0]=3 193 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,0,0,0,0,0|1,0,1]=3 194 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,0,0,0,0,0|1,0,1]=3 195 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,0,0,0,0,0|1,0,1]=3 196 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,0,0,0,0,0|1,0,1]=3 197 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,0,0,0,0,0|1,0,1]=3 198 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [1,0,0,0,0,0|2,0,1]=4 199 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [1,0,0,0,0,0|2,0,1]=4 200 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [1,0,0,0,0,0|2,0,1]=4 201 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,0,0,0,0,0|0,0,2]=3 209 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,0,0,0,0,0|2,0,1]=4 212 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,0,0,0,0,0|2,0,1]=4 213 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,0,0,0,0,0|1,0,1]=3 216 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,0,0,0,0,0|2,0,1]=4 217 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,0,0,0,0,0|2,0,1]=4 218 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,0,0,0,0,0|2,0,1]=4 219 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,0,0,0,0,0|2,0,1]=4 220 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,0,0,0,0,0|2,0,1]=4 221 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,0,0,0,0,0|2,0,1]=4 222 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,0,0,0,0,0|2,0,1]=4 223 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,0,0,0,0,0|2,0,1]=4 224 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,0,0,0,0,0|2,0,1]=4 225 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,0,0,0,0,0|2,0,1]=4 226 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,0,0,0,0,0|2,0,1]=4 227 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,0,0,0,0,0|2,0,1]=4 228 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,0,0,0,0,0|2,0,1]=4 229 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,0,0,0,0,0|1,0,1]=3 230 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [1,0,0,0,0,0|2,0,1]=4 231 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [1,0,0,0,0,0|2,0,1]=4 232 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,0,0,0,0,0|0,1,1]=3 233 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,0,0,0,0,0|0,1,1]=3 234 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,0,0,0,0,0|0,1,1]=3 235 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,0,0,0,0,0|0,1,1]=3 236 B11R1.83 C=C=Cc1ccc(cc1)C#N 271570a_100015277604_100000179745 [1,0,0,0,0,0|2,0,1]=4 237 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,0,0,0,0,0|1,0,1]=3 239 B11R1.83 C=C=Cc1ccc(cc1)CF 271570a_100015277604_100010268989 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.83 C=C=Cc1ccc(cc1)CN 271570a_100015277604_100016989417 [1,0,0,0,0,0|2,0,1]=4 241 B11R1.83 C=C=Cc1ccc(cc1)CO 271570a_100015277604_100000690907 [1,0,0,0,0,0|2,0,1]=4 242 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [1,0,0,0,0,0|1,0,1]=3 243 B11R1.83 C=C=Cc1ccc(cc1)NN 271570a_100015277604_100016988836 [1,0,0,0,0,0|2,0,1]=4 244 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,0,0,0,0,0|0,0,1]=2 245 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [1,0,0,0,0,0|0,1,1]=3 246 B11R1.83 C=C=Cc1ccc(cn1)CC 271570a_100015277604_100009843584 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.83 C=C=Cc1ccc(cn1)NC 271570a_100015277604_100000764248 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [1,0,0,0,0,0|1,0,1]=3 249 B11R1.83 C=C=Cc1ccc(cn1)SC 271570a_100015277604_100009820866 [1,0,0,0,0,0|1,1,1]=4 250 B11R1.83 C=C=Cc1ccc(nc1)CC 271570a_100015277604_100009820025 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.83 C=C=Cc1ccc(nc1)NC 271570a_100015277604_100000741341 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [1,0,0,0,0,0|1,0,1]=3 253 B11R1.83 C=C=Cc1ccc(nc1)SC 271570a_100015277604_100011408404 [1,0,0,0,0,0|1,1,1]=4 254 B11R1.83 C=C=Cc1ccc(nn1)OC 271570a_100015277604_100009819040 [1,0,0,0,0,0|2,0,1]=4 255 B11R1.83 C=C=Cc1cnc(cn1)OC 271570a_100015277604_100011998698 [1,0,0,0,0,0|2,0,1]=4 256 B11R1.83 C=C=Cc1cnc(nc1)OC 271570a_100015277604_100000686852 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.83 C=C=Cc1ncc(cn1)OC 271570a_100015277604_100000069167 [1,0,0,0,0,0|2,0,1]=4 258 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,0,0,0,0,0|0,0,1]=2 259 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,0,0,0,0,0|0,0,1]=2 260 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,0,0,0,0,0|0,0,1]=2 261 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,0,0,0,0,0|0,0,1]=2 262 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,0,0,0,0,0|1,1,0]=3 263 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,0,0,0,0,0|1,1,0]=3 264 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,0,0,0,0,0|1,1,0]=3 265 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,0,0,0,0,0|1,1,0]=3 266 B11R1.83 C=Cc1ccc(cc1)/C=C/Br 271570a_100011290941_200016255901 [1,0,0,0,0,0|2,0,1]=4 267 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [1,0,0,0,0,0|1,0,2]=4 268 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,0,0,0,0,0|1,0,2]=4 269 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [1,0,0,0,0,0|2,0,1]=4 270 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,0,0,0,0,0|2,0,1]=4 271 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,0,0,0,0,0|1,0,1]=3 272 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [1,0,0,0,0,0|2,0,1]=4 273 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [1,0,0,0,0,0|2,0,1]=4 274 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,0,0,0,0,0|2,0,1]=4 275 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,0,0,0,0,0|1,0,1]=3 276 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [1,0,0,0,0,0|2,0,1]=4 277 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,0,0,0,0,0|0,0,1]=2 278 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,0,0,0,0,0|0,1,1]=3 279 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [1,0,0,0,0,0|2,0,1]=4 280 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [1,0,0,0,0,0|2,0,1]=4 281 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [1,0,0,0,0,0|1,0,1]=3 282 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [1,0,0,0,0,0|1,1,1]=4 283 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [1,0,0,0,0,0|2,0,1]=4 284 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [1,0,0,0,0,0|2,0,1]=4 285 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [1,0,0,0,0,0|1,0,1]=3 286 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [1,0,0,0,0,0|1,1,1]=4 287 B11R1.83 CC=Cc1ccc(nn1)OC 271570a_100016259895_100009819040 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.83 CC=Cc1cnc(cn1)OC 271570a_100016259895_100011998698 [1,0,0,0,0,0|2,0,1]=4 289 B11R1.83 CC=Cc1cnc(nc1)OC 271570a_100016259895_100000686852 [1,0,0,0,0,0|2,0,1]=4 290 B11R1.83 CC=Cc1ncc(cn1)OC 271570a_100016259895_100000069167 [1,0,0,0,0,0|2,0,1]=4 291 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,0,0,0,0,0|0,0,3]=4 292 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,0,0,0,0,0|0,0,3]=4 293 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,0,0,0,0,0|0,0,3]=4 294 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,0,0,0,0,0|0,0,3]=4 295 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,0,0,0,0,0|1,0,2]=4 296 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,0,0,0,0,0|1,0,2]=4 297 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,0,0,0,0,0|1,0,2]=4 298 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,0,0,0,0,0|1,0,2]=4 299 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,0,0,0,0,0|1,0,2]=4 300 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,0,0,0,0,0|1,0,2]=4 301 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,0,0,0,0,0|1,0,2]=4 302 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,0,0,0,0,0|1,0,2]=4 303 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,0,0,0,0,0|1,0,2]=4 304 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,0,0,0,0,0|1,0,2]=4 305 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,0,0,0,0,0|1,0,2]=4 306 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,0,0,0,0,0|1,0,2]=4 307 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,0,0,0,0,0|1,0,2]=4 308 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,0,0,0,0,0|1,0,2]=4 309 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,0,0,0,0,0|1,0,2]=4 310 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,0,0,0,0,0|1,0,2]=4 311 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,0,0,0,0,0|1,0,2]=4 312 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,0,0,0,0,0|1,0,2]=4 313 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,0,0,0,0,0|1,0,2]=4 314 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,0,0,0,0,0|1,0,2]=4 315 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,0,0,0,0,0|1,0,2]=4 316 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,0,0,0,0,0|1,0,2]=4 317 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,0,0,0,0,0|1,0,2]=4 318 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,0,0,0,0,0|1,0,2]=4 319 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,0,0,0,0,0|1,0,2]=4 320 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,0,0,0,0,0|1,0,2]=4 321 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,0,0,0,0,0|1,0,2]=4 322 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,0,0,0,0,0|1,0,2]=4 323 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,0,0,0,0,0|1,0,2]=4 324 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,0,0,0,0,0|0,0,3]=4 325 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,0,0,0,0,0|0,0,3]=4 326 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,0,0,0,0,0|1,0,2]=4 327 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,0,0,0,0,0|1,0,2]=4 328 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,0,0,0,0,0|1,0,2]=4 329 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,0,0,0,0,0|1,0,2]=4 330 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [1,0,0,0,0,0|2,0,1]=4 331 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,0,0,0,0,0|2,0,1]=4 332 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [1,0,0,0,0,0|2,0,1]=4 333 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,0,0,0,0,0|1,1,0]=3 334 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,0,0,0,0,0|1,1,0]=3 335 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,0,0,0,0,0|0,1,1]=3 336 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,0,0,0,0,0|0,1,1]=3 337 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,0,0,0,0,0|1,0,2]=4 338 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,0,0,0,0,0|1,0,2]=4 339 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,0,0,0,0,0|1,0,2]=4 340 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,0,0,0,0,0|1,0,2]=4 341 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,0,0,0,0,0|1,0,2]=4 342 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,0,0,0,0,0|0,0,3]=4 343 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,0,0,0,0,0|0,0,3]=4 344 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,0,0,0,0,0|1,1,0]=3 345 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,0,0,0,0,0|1,1,0]=3 346 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,0,0,0,0,0|0,1,1]=3 347 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,0,0,0,0,0|0,1,1]=3 348 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,1,0,0,0,0|2,0,1]=4 350 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,1,0,0,0,0|2,0,1]=4 351 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,1,0,0,0,0|2,0,1]=4 352 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,1,0,0,0,0|2,0,1]=4 353 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,1,0,0,0,0|2,0,1]=4 354 B13R1.3 C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100011290941_200016259395 [0,1,0,0,0,0|1,0,1]=3 355 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,1,0,0,0,0|0,0,0]=1 356 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [0,1,0,0,0,0|0,1,0]=2 357 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [0,1,0,0,0,0|0,1,0]=2 358 B13R1.3 CC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200000210301 [0,1,0,0,0,0|2,0,0]=3 359 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,1,0,0,0,0|0,0,2]=3 360 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,1,0,0,0,0|0,0,2]=3 361 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,1,0,0,0,0|0,1,2]=4 362 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,1,0,0,0,0|0,1,2]=4 363 B13R1.3 CC(=O)NCc1ccc(cc1)N[13CH3] 34a_100000755463_200025704644 [0,1,0,0,0,0|2,0,1]=4 364 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200000685173_200025704644 [0,1,0,0,0,0|1,1,1]=4 365 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200025704644_200000685173 [0,1,0,0,0,0|1,1,1]=4 366 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200009815283_200025704644 [0,1,0,0,0,0|2,1,0]=4 367 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200025704644_200009815283 [0,1,0,0,0,0|2,1,0]=4 368 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,1,0,0,0,0|1,0,0]=2 369 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,1,0,0,0,0|1,0,0]=2 370 B13R1.3 CCc1ccc(cc1)C=CC(C)C 271570a_100016257149_100011215824 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.3 CCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011215824 [0,1,0,0,0,0|1,0,2]=4 372 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,1,0,0,0,0|1,0,2]=4 373 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,1,0,0,0,0|1,0,2]=4 374 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,1,0,0,0,0|2,0,1]=4 375 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,1,0,0,0,0|2,0,1]=4 376 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,1,0,0,0,0|2,0,1]=4 377 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,1,0,0,0,0|2,0,1]=4 378 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,1,0,0,0,0|2,0,1]=4 379 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,1,0,0,0,0|2,0,1]=4 380 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,1,0,0,0,0|2,0,1]=4 381 B13R1.3 CCc1ccc(cc1)NNC(=O)C 22a_100015204395_100000070787 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,1,0,0,0,0|2,0,1]=4 383 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,1,0,0,0,0|2,0,1]=4 384 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.3 CNc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000219623 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.3 CNc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000219623 [0,1,0,0,0,0|1,0,2]=4 393 B13R1.3 CNc1ccc(cc1)CNC(=O)C 34a_100000755463_200000210301 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.3 CNc1ccc(cc1)CNC(=O)N 34a_100000747042_200000210301 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,1,0,0,0,0|2,0,1]=4 396 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,1,0,0,0,0|2,0,1]=4 397 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,1,0,0,0,0|2,0,1]=4 399 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000743151_100000747473 [0,1,0,0,0,0|2,0,1]=4 400 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000747473_100000743151 [0,1,0,0,0,0|2,0,1]=4 401 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100000743151_100020667443 [0,1,0,0,0,0|2,0,1]=4 402 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000743151 [0,1,0,0,0,0|2,0,1]=4 403 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,1,0,0,0,0|0,0,0]=1 404 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,1,0,0,0,0|1,0,0]=2 405 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,1,0,0,0,0|0,0,2]=3 406 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,1,0,0,0,0|0,0,2]=3 407 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,1,0,0,0,0|0,0,0]=1 408 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,1,0,0,0,0|0,0,0]=1 409 B13R1.3 COc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000171711 [0,1,0,0,0,0|1,0,1]=3 410 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,1,0,0,0,0|0,0,2]=3 411 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,1,0,0,0,0|0,0,2]=3 412 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,1,0,0,0,0|0,0,2]=3 413 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,1,0,0,0,0|0,0,2]=3 414 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,1,0,0,0,0|0,0,2]=3 415 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,1,0,0,0,0|0,0,2]=3 416 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,1,0,0,0,0|1,0,1]=3 417 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,1,0,0,0,0|1,0,1]=3 418 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,1,0,0,0,0|1,0,1]=3 419 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,1,0,0,0,0|1,0,1]=3 420 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,1,0,0,0,0|1,0,1]=3 421 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,1,0,0,0,0|1,0,1]=3 422 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,1,0,0,0,0|2,0,1]=4 423 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,1,0,0,0,0|2,0,0]=3 424 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,1,0,0,0,0|1,0,1]=3 425 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,1,0,0,0,0|1,0,1]=3 426 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,1,0,0,0,0|1,0,1]=3 427 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,1,0,0,0,0|1,0,1]=3 428 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,1,0,0,0,0|2,0,1]=4 429 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,1,0,0,0,0|1,0,1]=3 430 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,1,0,0,0,0|1,0,1]=3 431 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,1,0,0,0,0|1,0,1]=3 432 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,1,0,0,0,0|1,0,1]=3 433 B13R1.3 COc1ccc(cn1)C=CC(C)C 271570a_100016257149_100000047065 [0,1,0,0,0,0|2,0,1]=4 434 B13R1.3 COc1ccc(cn1)C=CC(C)O 271570a_200011019289_100000047065 [0,1,0,0,0,0|1,0,2]=4 435 B13R1.3 COc1ccc(cn1)CNC(=O)C 11a_100000241975_100015343762 [0,1,0,0,0,0|2,0,1]=4 436 B13R1.3 COc1ccc(cn1)CNC(=O)C 1626a_100000241975_100015343762 [0,1,0,0,0,0|2,0,1]=4 437 B13R1.3 COc1ccc(cn1)CNC(=O)C 240690a_100000241975_100015343762 [0,1,0,0,0,0|2,0,1]=4 438 B13R1.3 COc1ccc(cn1)CNC(=O)C 527a_100000241975_100103153847 [0,1,0,0,0,0|2,0,1]=4 439 B13R1.3 COc1ccc(cn1)NNC(=O)C 22a_100102564821_100000070787 [0,1,0,0,0,0|3,0,0]=4 440 B13R1.3 COc1ccc(cn1)OCC(=O)N 34a_100011934560_100000187820 [0,1,0,0,0,0|2,0,1]=4 441 B13R1.3 COc1ccc(cn1)OCC(=O)[O-] 34a_100011934560_100020667443 [0,1,0,0,0,0|2,0,1]=4 442 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000047065_100000747473 [0,1,0,0,0,0|2,0,1]=4 443 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000747473_100000047065 [0,1,0,0,0,0|2,0,1]=4 444 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100000047065_100020667443 [0,1,0,0,0,0|2,0,1]=4 445 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000047065 [0,1,0,0,0,0|2,0,1]=4 446 B13R1.3 COc1ccc(nc1)C=CC(C)C 271570a_100016257149_100000755202 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.3 COc1ccc(nc1)C=CC(C)O 271570a_200011019289_100000755202 [0,1,0,0,0,0|1,0,2]=4 448 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,1,0,0,0,0|2,0,1]=4 450 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,1,0,0,0,0|2,0,1]=4 452 B13R1.3 COc1ccc(nc1)OCC(=O)N 34a_100012002028_100000187820 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.3 COc1ccc(nc1)OCC(=O)[O-] 34a_100012002028_100020667443 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000747473_100000744180 [0,1,0,0,0,0|2,0,1]=4 455 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000755202_100000747473 [0,1,0,0,0,0|2,0,1]=4 456 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100000755202_100020667443 [0,1,0,0,0,0|2,0,1]=4 457 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000744180 [0,1,0,0,0,0|2,0,1]=4 458 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [0,1,0,0,0,0|0,1,0]=2 459 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [0,1,0,0,0,0|0,1,0]=2 460 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [0,1,0,0,0,0|0,1,0]=2 461 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [0,1,0,0,0,0|0,1,0]=2 462 B13R1.3 CSc1ccc(cc1)C=CC(C)C 271570a_100016257149_100011263217 [0,1,0,0,0,0|1,1,1]=4 463 B13R1.3 CSc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011263217 [0,1,0,0,0,0|0,1,2]=4 464 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,1,0,0,0,0|0,1,2]=4 465 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,1,0,0,0,0|0,1,2]=4 466 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,1,0,0,0,0|0,1,2]=4 467 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,1,0,0,0,0|0,1,2]=4 468 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,1,0,0,0,0|0,1,2]=4 469 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,1,0,0,0,0|0,1,2]=4 470 B13R1.3 CSc1ccc(cc1)CNC(=O)C 11a_100000174980_100015343762 [0,1,0,0,0,0|1,1,1]=4 471 B13R1.3 CSc1ccc(cc1)CNC(=O)C 240690a_100000174980_100015343762 [0,1,0,0,0,0|1,1,1]=4 472 B13R1.3 CSc1ccc(cc1)CNC(=O)C 527a_100000174980_100103153847 [0,1,0,0,0,0|1,1,1]=4 473 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000210301_200000685173 [0,1,0,0,0,0|1,1,1]=4 474 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000685173_200000210301 [0,1,0,0,0,0|1,1,1]=4 475 B13R1.3 CSc1ccc(cc1)NCC(=O)N 34a_100000212337_100000187820 [0,1,0,0,0,0|1,1,1]=4 476 B13R1.3 CSc1ccc(cc1)NCC(=O)[O-] 34a_100000212337_100020667443 [0,1,0,0,0,0|1,1,1]=4 477 B13R1.3 CSc1ccc(cc1)NNC(=O)C 22a_100000006515_100000070787 [0,1,0,0,0,0|2,1,0]=4 478 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200000210301_200009815283 [0,1,0,0,0,0|2,1,0]=4 479 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200009815283_200000210301 [0,1,0,0,0,0|2,1,0]=4 480 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,1,0,0,0,0|1,1,1]=4 481 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,1,0,0,0,0|1,1,1]=4 482 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000149456_200000210301 [0,1,0,0,0,0|1,1,1]=4 483 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000747473_100011263217 [0,1,0,0,0,0|1,1,1]=4 484 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100011263217_100000747473 [0,1,0,0,0,0|1,1,1]=4 485 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_200000210301_100000149456 [0,1,0,0,0,0|1,1,1]=4 486 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100011263217_100020667443 [0,1,0,0,0,0|1,1,1]=4 487 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011263217 [0,1,0,0,0,0|1,1,1]=4 488 B13R1.3 CSc1ncc(cn1)C=CC(=O)C 1458a_200016269794_200000210301 [0,1,0,0,0,0|2,1,0]=4 489 B13R1.3 CSc1ncc(cn1)C=CC(=O)[13CH3] 1458a_200016269794_200025704644 [0,1,0,0,0,0|2,1,0]=4 490 B13R1.3 [13CH3]C(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B13R1.3 [13CH3]Nc1ccc(cc1)CNC(=O)N 34a_100000747042_200025704644 [0,1,0,0,0,0|2,0,1]=4 492 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,1,0,0,0,0|2,0,1]=4 493 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,1,0,0,0,0|2,0,1]=4 494 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,1,0,0,0,0|1,0,0]=2 495 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,1,0,0,0,0|0,1,2]=4 496 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,1,0,0,0,0|0,1,2]=4 497 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_100000149456_200025704644 [0,1,0,0,0,0|1,1,1]=4 498 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_200025704644_100000149456 [0,1,0,0,0,0|1,1,1]=4 499 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,1,0,0,0,0|2,0,1]=4 500 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,1,0,0,0,0|1,1,1]=4 501 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,1,0,0,0,0|2,0,1]=4 502 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,1,0,0,0,0|2,0,1]=4 503 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,1,0,0,0,0|2,0,0]=3 506 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,1,0,0,0,0|2,0,0]=3 507 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,1,0,0,0,0|2,0,0]=3 509 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,1,0,0,0,0|2,1,0]=4 510 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,1,0,0,0,0|2,0,1]=4 511 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,1,0,0,0,0|1,0,2]=4 512 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,1,0,0,0,0|2,0,1]=4 513 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,1,0,0,0,0|2,0,1]=4 514 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,1,0,0,0,0|2,0,1]=4 515 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,1,0,0,0,0|2,0,1]=4 516 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,1,0,0,0,0|2,0,1]=4 518 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,1,0,0,0,0|2,0,1]=4 519 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,1,0,0,0,0|2,0,1]=4 520 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,1,0,0,0,0|2,0,1]=4 521 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,1,0,0,0,0|2,0,1]=4 522 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,1,0,0,0,0|2,0,1]=4 524 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,1,0,0,0,0|2,0,1]=4 525 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,1,0,0,0,0|3,0,0]=4 526 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,1,0,0,0,0|2,0,1]=4 527 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,1,0,0,0,0|2,0,1]=4 528 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,1,0,0,0,0|3,0,0]=4 529 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,1,0,0,0,0|3,0,0]=4 530 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,1,0,0,0,0|1,0,2]=4 531 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,1,0,0,0,0|2,0,1]=4 532 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,1,0,0,0,0|1,0,2]=4 534 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,1,0,0,0,0|1,0,2]=4 535 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,1,0,0,0,0|2,0,1]=4 536 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,1,0,0,0,0|2,0,1]=4 537 B13R1.74 C=C(C)c1ccc(cc1)C=COC 271570a_100000694244_100020630460 [0,1,0,0,0,0|3,0,0]=4 538 B13R1.74 C=C(C)c1ccc(cc1)CCC=O 271570a_100000694244_100011361538 [0,1,0,0,0,0|1,0,2]=4 539 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 34a_100009880102_200009817547 [0,1,0,0,0,0|2,0,1]=4 540 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 7a_100009880102_200015260668 [0,1,0,0,0,0|2,0,1]=4 541 B13R1.74 C=C(C)c1ccc(cc1)SCC=O 62a_100000185454_200015260668 [0,1,0,0,0,0|2,0,1]=4 542 B13R1.74 C=C(C)c1ccc(cc1)SCC=O 62a_200015260668_100000185454 [0,1,0,0,0,0|2,0,1]=4 543 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 34a_100000185113_200009817547 [0,1,0,0,0,0|2,0,1]=4 544 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 7a_100000185113_200015260668 [0,1,0,0,0,0|2,0,1]=4 545 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_100000185465_200015260668 [0,1,0,0,0,0|2,0,1]=4 546 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000185465 [0,1,0,0,0,0|2,0,1]=4 547 B13R1.74 CC(C)c1ccc(cc1)NCC=O 2230a_100000210773_200015260668 [0,1,0,0,0,0|2,0,1]=4 548 B13R1.74 CC(C)c1ccc(cc1)NCC=O 34a_100000210773_200009817547 [0,1,0,0,0,0|2,0,1]=4 549 B13R1.74 CC(C)c1ccc(cc1)NCC=O 7a_100000210773_200015260668 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.74 CC(C)c1ccc(cc1)OCC=O 34a_100000181308_200009817547 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.74 CC(C)c1ccc(cc1)OCC=O 7a_100000181308_200015260668 [0,1,0,0,0,0|2,0,1]=4 552 B13R1.74 CC(C)c1ccc(cc1)SCC=O 62a_100000750031_200015260668 [0,1,0,0,0,0|2,0,1]=4 553 B13R1.74 CC(C)c1ccc(cc1)SCC=O 62a_200015260668_100000750031 [0,1,0,0,0,0|2,0,1]=4 554 B13R1.74 CC(O)c1ccc(cc1)NCC=O 2230a_100011216399_200015260668 [0,1,0,0,0,0|2,0,1]=4 555 B13R1.74 CC(O)c1ccc(cc1)NCC=O 34a_100011216399_200009817547 [0,1,0,0,0,0|2,0,1]=4 556 B13R1.74 CC(O)c1ccc(cc1)OCC=O 34a_100000754508_200009817547 [0,1,0,0,0,0|2,0,1]=4 557 B13R1.74 CC(O)c1ccc(cc1)OCC=O 7a_100000754508_200015260668 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.74 CC(O)c1ccc(cc1)SCC=O 62a_100000745893_200015260668 [0,1,0,0,0,0|2,0,1]=4 559 B13R1.74 CC(O)c1ccc(cc1)SCC=O 62a_200015260668_100000745893 [0,1,0,0,0,0|2,0,1]=4 560 B13R1.74 CN(C)c1ccc(cc1)NCC=O 34a_100016997997_200009817547 [0,1,0,0,0,0|2,0,1]=4 561 B13R1.74 CN(C)c1ccc(cc1)OCC=O 34a_100000718910_200009817547 [0,1,0,0,0,0|2,0,1]=4 562 B13R1.74 CN(C)c1ccc(cc1)SCC=O 62a_100000210421_200015260668 [0,1,0,0,0,0|2,0,1]=4 563 B13R1.74 CN(C)c1ccc(cc1)SCC=O 62a_200015260668_100000210421 [0,1,0,0,0,0|2,0,1]=4 564 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 34a_200000064373_200009817547 [0,1,0,0,0,0|1,1,1]=4 565 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 7a_200000064373_200015260668 [0,1,0,0,0,0|1,1,1]=4 566 B13R1.74 CS(=O)c1ccc(cc1)SCC=O 62a_100009816266_200015260668 [0,1,0,0,0,0|1,1,1]=4 567 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC=O 62a_100000720352_200015260668 [0,1,0,0,0,0|2,0,1]=4 568 B13R1.74 C[C@@H](N)c1ccc(cc1)SCC=O 62a_200015260668_100000720352 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.74 C[C@H](N)c1ccc(cc1)OCC=O 34a_100161106496_200009817547 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.74 C[C@H](N)c1ccc(cc1)SCC=O 62a_100000753911_200015260668 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.74 C[C@H](N)c1ccc(cc1)SCC=O 62a_200015260668_100000753911 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 34a_100010188728_200009817547 [0,1,0,0,0,0|1,1,1]=4 573 B13R1.74 C[S+](C)c1ccc(cc1)OCC=O 7a_100010188728_200015260668 [0,1,0,0,0,0|1,1,1]=4 574 B13R1.75 C=CCNc1ccc(cc1Br)OC 34a_100015195136_100015514636 [0,1,0,0,0,0|2,0,1]=4 575 B13R1.75 C=CCNc1ccc(cc1C)OC 34a_100000750285_100015514636 [0,1,0,0,0,0|2,0,1]=4 576 B13R1.75 C=CCNc1ccc(cc1Cl)OC 34a_100000747055_100015514636 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.75 C=CCNc1ccc(cc1F)OC 34a_100011299463_100015514636 [0,1,0,0,0,0|2,0,1]=4 578 B13R1.75 C=CCNc1ccc(cc1I)OC 34a_100000049804_100015514636 [0,1,0,0,0,0|2,0,1]=4 579 B13R1.75 C=CCNc1ccc(cc1O)OC 34a_100016989039_100015514636 [0,1,0,0,0,0|2,0,1]=4 580 B13R1.75 C=CCOc1ccc(cc1Br)OC 34a_100000685887_100015514636 [0,1,0,0,0,0|2,0,1]=4 581 B13R1.75 C=CCOc1ccc(cc1Br)OC 7a_100000685887_100015514636 [0,1,0,0,0,0|2,0,1]=4 582 B13R1.75 C=CCOc1ccc(cc1C)OC 34a_100012002223_100015514636 [0,1,0,0,0,0|2,0,1]=4 583 B13R1.75 C=CCOc1ccc(cc1C)OC 7a_100012002223_100015514636 [0,1,0,0,0,0|2,0,1]=4 584 B13R1.75 C=CCOc1ccc(cc1Cl)OC 34a_100000038596_100015514636 [0,1,0,0,0,0|2,0,1]=4 585 B13R1.75 C=CCOc1ccc(cc1Cl)OC 7a_100000038596_100015514636 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.75 C=CCOc1ccc(cc1F)OC 34a_100000036999_100015514636 [0,1,0,0,0,0|2,0,1]=4 587 B13R1.75 C=CCOc1ccc(cc1F)OC 7a_100000036999_100015514636 [0,1,0,0,0,0|2,0,1]=4 588 B13R1.75 C=CCOc1ccc(cc1N)OC 34a_100000188146_100015514636 [0,1,0,0,0,0|2,0,1]=4 589 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100000210623_100012349170 [0,1,0,0,0,0|2,0,1]=4 590 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100012349170_100000210623 [0,1,0,0,0,0|2,0,1]=4 591 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000210623_100000759875 [0,1,0,0,0,0|2,0,1]=4 592 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000759875_100000210623 [0,1,0,0,0,0|2,0,1]=4 593 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000210623_100000753793 [0,1,0,0,0,0|2,0,1]=4 594 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000753793_100000210623 [0,1,0,0,0,0|2,0,1]=4 595 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000210623_100000748021 [0,1,0,0,0,0|2,0,1]=4 596 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000748021_100000210623 [0,1,0,0,0,0|2,0,1]=4 597 B13R1.75 C=CCSc1ccc(cc1O)OC 62a_100000210623_100000719091 [0,1,0,0,0,0|2,0,1]=4 598 B13R1.75 CC=NNc1ccc(cc1C)OC 4a_115082355441_200000210099 [0,1,0,0,0,0|3,0,0]=4 599 B13R1.75 CC=NNc1ccc(cc1F)OC 4a_100015191252_200000210099 [0,1,0,0,0,0|3,0,0]=4 600 B13R1.75 CCc1ccc(c(c1)Br)NCC=O 2230a_100012339725_200015260668 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.75 CCc1ccc(c(c1)Br)NCC=O 34a_100012339725_200009817547 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 34a_100012339963_200009817547 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 7a_100012339963_200015260668 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.75 CCc1ccc(c(c1)Br)SCC=O 62a_200009997437_200015260668 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.75 CCc1ccc(c(c1)Br)SCC=O 62a_200015260668_200009997437 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.75 CCc1ccc(c(c1)C)NCC=O 2230a_100011226020_200015260668 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.75 CCc1ccc(c(c1)C)NCC=O 34a_100011226020_200009817547 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.75 CCc1ccc(c(c1)C)NCC=O 7a_100011226020_200015260668 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.75 CCc1ccc(c(c1)F)NCC=O 2230a_100016177294_200015260668 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.75 CCc1ccc(c(c1)F)NCC=O 34a_100016177294_200009817547 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.75 CCc1ccc(c(c1)F)SCC=O 62a_200010339503_200015260668 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.75 CCc1ccc(c(c1)F)SCC=O 62a_200015260668_200010339503 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.75 CCc1ccc(c(c1)N)OCC=O 34a_100000765835_200009817547 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.75 CCc1ccc(c(c1)N)OCC=O 7a_100000765835_200015260668 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.75 CCc1ccc(c(c1)O)NCC=O 34a_100000124328_200009817547 [0,1,0,0,0,0|2,0,1]=4 616 B13R1.75 CNc1ccc(c(c1)C)SCC=O 62a_100102888905_200015260668 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.75 CNc1ccc(c(c1)C)SCC=O 62a_200015260668_100102888905 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.75 CNc1ccc(c(c1)F)SCC=O 62a_100012285320_200015260668 [0,1,0,0,0,0|2,0,1]=4 619 B13R1.75 CNc1ccc(c(c1)F)SCC=O 62a_200015260668_100012285320 [0,1,0,0,0,0|2,0,1]=4 620 B13R1.75 COc1cc(c(cn1)SCC=O)C 62a_100011934368_200015260668 [0,1,0,0,0,0|2,0,1]=4 621 B13R1.75 COc1cc(c(cn1)SCC=O)C 62a_200015260668_100011934368 [0,1,0,0,0,0|2,0,1]=4 622 B13R1.75 COc1cc(c(cn1)SCC=O)F 62a_100010136277_200015260668 [0,1,0,0,0,0|2,0,1]=4 623 B13R1.75 COc1cc(c(cn1)SCC=O)F 62a_200015260668_100010136277 [0,1,0,0,0,0|2,0,1]=4 624 B13R1.75 COc1cc(c(cn1)SCC=O)N 62a_100010254562_200015260668 [0,1,0,0,0,0|2,0,1]=4 625 B13R1.75 COc1cc(c(cn1)SCC=O)N 62a_200015260668_100010254562 [0,1,0,0,0,0|2,0,1]=4 626 B13R1.75 COc1cc(c(cn1)SCC=O)O 62a_100010738159_200015260668 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.75 COc1cc(c(cn1)SCC=O)O 62a_200015260668_100010738159 [0,1,0,0,0,0|2,0,1]=4 628 B13R1.75 COc1ccc(c(c1)Br)NCC=O 34a_100015195136_200009817547 [0,1,0,0,0,0|1,0,1]=3 629 B13R1.75 COc1ccc(c(c1)Br)OCC=O 34a_100000685887_200009817547 [0,1,0,0,0,0|1,0,1]=3 630 B13R1.75 COc1ccc(c(c1)Br)OCC=O 7a_100000685887_200015260668 [0,1,0,0,0,0|1,0,1]=3 631 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_100012349170_200015260668 [0,1,0,0,0,0|1,0,1]=3 632 B13R1.75 COc1ccc(c(c1)Br)SCC=O 62a_200015260668_100012349170 [0,1,0,0,0,0|1,0,1]=3 633 B13R1.75 COc1ccc(c(c1)C)NCC=O 34a_100000750285_200009817547 [0,1,0,0,0,0|1,0,1]=3 634 B13R1.75 COc1ccc(c(c1)C)OCC=O 34a_100012002223_200009817547 [0,1,0,0,0,0|1,0,1]=3 635 B13R1.75 COc1ccc(c(c1)C)OCC=O 7a_100012002223_200015260668 [0,1,0,0,0,0|1,0,1]=3 636 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_100000759875_200015260668 [0,1,0,0,0,0|1,0,1]=3 637 B13R1.75 COc1ccc(c(c1)C)SCC=O 62a_200015260668_100000759875 [0,1,0,0,0,0|1,0,1]=3 638 B13R1.75 COc1ccc(c(c1)Cl)NCC=O 34a_100000747055_200009817547 [0,1,0,0,0,0|1,0,1]=3 639 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 34a_100000038596_200009817547 [0,1,0,0,0,0|1,0,1]=3 640 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 7a_100000038596_200015260668 [0,1,0,0,0,0|1,0,1]=3 641 B13R1.75 COc1ccc(c(c1)F)NCC=O 34a_100011299463_200009817547 [0,1,0,0,0,0|1,0,1]=3 642 B13R1.75 COc1ccc(c(c1)F)OCC=O 34a_100000036999_200009817547 [0,1,0,0,0,0|1,0,1]=3 643 B13R1.75 COc1ccc(c(c1)F)OCC=O 7a_100000036999_200015260668 [0,1,0,0,0,0|1,0,1]=3 644 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_100000753793_200015260668 [0,1,0,0,0,0|1,0,1]=3 645 B13R1.75 COc1ccc(c(c1)F)SCC=O 62a_200015260668_100000753793 [0,1,0,0,0,0|1,0,1]=3 646 B13R1.75 COc1ccc(c(c1)I)NCC=O 34a_100000049804_200009817547 [0,1,0,0,0,0|1,0,1]=3 647 B13R1.75 COc1ccc(c(c1)N)OCC=O 34a_100000188146_200009817547 [0,1,0,0,0,0|1,0,1]=3 648 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_100000748021_200015260668 [0,1,0,0,0,0|1,0,1]=3 649 B13R1.75 COc1ccc(c(c1)N)SCC=O 62a_200015260668_100000748021 [0,1,0,0,0,0|1,0,1]=3 650 B13R1.75 COc1ccc(c(c1)O)NCC=O 34a_100016989039_200009817547 [0,1,0,0,0,0|1,0,1]=3 651 B13R1.75 COc1ccc(c(c1)O)SCC=O 62a_200015260668_100000719091 [0,1,0,0,0,0|1,0,1]=3 652 B13R1.75 COc1ccc(c(n1)C)OCC=O 34a_200009873766_200009817547 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.75 COc1ccc(c(n1)C)SCC=O 62a_100000766551_200015260668 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.75 COc1ccc(c(n1)C)SCC=O 62a_200015260668_100000766551 [0,1,0,0,0,0|2,0,1]=4 655 B13R1.75 COc1ccc(c(n1)F)SCC=O 62a_100010067559_200015260668 [0,1,0,0,0,0|2,0,1]=4 656 B13R1.75 COc1ccc(c(n1)F)SCC=O 62a_200015260668_100010067559 [0,1,0,0,0,0|2,0,1]=4 657 B13R1.75 COc1ccc(c(n1)N)SCC=O 62a_100010187629_200015260668 [0,1,0,0,0,0|2,0,1]=4 658 B13R1.75 COc1cnc(c(c1)C)SCC=O 62a_200015260668_200009851512 [0,1,0,0,0,0|2,0,1]=4 659 B13R1.75 COc1cnc(c(c1)N)SCC=O 62a_100010074831_200015260668 [0,1,0,0,0,0|2,0,1]=4 660 B13R1.75 COc1cnc(c(c1)N)SCC=O 62a_200015260668_100010074831 [0,1,0,0,0,0|2,0,1]=4 661 B13R1.75 CSc1ccc(c(c1)F)NCC=O 34a_100012056844_200009817547 [0,1,0,0,0,0|1,1,1]=4 662 B13R1.75 CSc1ccc(c(c1)F)SCC=O 62a_100009816902_200015260668 [0,1,0,0,0,0|1,1,1]=4 663 B13R1.75 CSc1ccc(c(c1)F)SCC=O 62a_200015260668_100009816902 [0,1,0,0,0,0|1,1,1]=4 664 B13R1.77 C/C=C/c1ccc(cc1)SCC=O 62a_100016259036_200015260668 [0,1,0,0,0,0|2,0,1]=4 665 B13R1.77 C/C=C/c1ccc(cc1)SCC=O 62a_200015260668_100016259036 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.77 C=CCNc1ccc(cc1)COC 34a_100000694113_100015514636 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [0,1,0,0,0,0|2,0,1]=4 668 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.77 C=CCOc1ccc(cc1)COC 34a_200011995677_100015514636 [0,1,0,0,0,0|2,0,1]=4 670 B13R1.77 C=CCOc1ccc(cc1)COC 7a_200011995677_100015514636 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100000210623_100011493685 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100011493685_100000210623 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [0,1,0,0,0,0|2,0,1]=4 675 B13R1.77 C=COc1ccc(cc1)SCC=O 62a_100000704263_200015260668 [0,1,0,0,0,0|1,0,2]=4 676 B13R1.77 C=COc1ccc(cc1)SCC=O 62a_200015260668_100000704263 [0,1,0,0,0,0|1,0,2]=4 677 B13R1.77 CC=Cc1ccc(cc1)C=COC 271570a_100016259895_100020630460 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.77 CC=Cc1ccc(cc1)CCC=O 271570a_100016259895_100011361538 [0,1,0,0,0,0|1,0,2]=4 679 B13R1.77 CC=NNc1ccc(cc1)OCC 4a_100000738955_200000210099 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.77 CCCc1ccc(cc1)NCC=O 2230a_100000211780_200015260668 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.77 CCCc1ccc(cc1)NCC=O 34a_100000211780_200009817547 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.77 CCCc1ccc(cc1)OCC=O 34a_100000749406_200009817547 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.77 CCCc1ccc(cc1)OCC=O 7a_100000749406_200015260668 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.77 CCCc1ccc(cc1)SCC=O 62a_100000750032_200015260668 [0,1,0,0,0,0|2,0,1]=4 685 B13R1.77 CCCc1ccc(cc1)SCC=O 62a_200015260668_100000750032 [0,1,0,0,0,0|2,0,1]=4 686 B13R1.77 CCNc1ccc(cc1)OCC=O 34a_100011337800_200009817547 [0,1,0,0,0,0|2,0,1]=4 687 B13R1.77 CCNc1ccc(cc1)OCC=O 7a_100011337800_200015260668 [0,1,0,0,0,0|2,0,1]=4 688 B13R1.77 CCNc1ccc(cc1)SCC=O 62a_200015260668_100000219632 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.77 CCOc1ccc(cc1)NCC=O 2230a_100000739623_200015260668 [0,1,0,0,0,0|1,0,1]=3 690 B13R1.77 CCOc1ccc(cc1)NCC=O 34a_100000739623_200009817547 [0,1,0,0,0,0|1,0,1]=3 691 B13R1.77 CCOc1ccc(cc1)OCC=O 34a_100000185467_200009817547 [0,1,0,0,0,0|1,0,1]=3 692 B13R1.77 CCOc1ccc(cc1)SCC=O 62a_200015260668_100000171712 [0,1,0,0,0,0|1,0,1]=3 693 B13R1.77 CCOc1ccc(cn1)SCC=O 62a_100011219444_200015260668 [0,1,0,0,0,0|2,0,1]=4 694 B13R1.77 CCOc1ccc(cn1)SCC=O 62a_200015260668_100011219444 [0,1,0,0,0,0|2,0,1]=4 695 B13R1.77 CCOc1ccc(nc1)SCC=O 62a_100012355646_200015260668 [0,1,0,0,0,0|2,0,1]=4 696 B13R1.77 CCOc1ccc(nc1)SCC=O 62a_200015260668_100000753957 [0,1,0,0,0,0|2,0,1]=4 697 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100000210202_100016291818 [0,1,0,0,0,0|0,1,0]=2 698 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210202 [0,1,0,0,0,0|0,1,0]=2 699 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100000210202_100020630460 [0,1,0,0,0,0|2,1,0]=4 700 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100020630460_100000210202 [0,1,0,0,0,0|2,1,0]=4 701 B13R1.77 CCSc1ccc(cc1)CCC=O 62a_100000210202_100011361538 [0,1,0,0,0,0|0,1,2]=4 702 B13R1.77 CCSc1ccc(cc1)CCC=O 62a_100011361538_100000210202 [0,1,0,0,0,0|0,1,2]=4 703 B13R1.77 CCSc1ccc(cc1)NCC=O 34a_100015187087_200009817547 [0,1,0,0,0,0|1,1,1]=4 704 B13R1.77 CCSc1ccc(cc1)SCC=O 62a_200009811893_200015260668 [0,1,0,0,0,0|1,1,1]=4 705 B13R1.77 CCSc1ccc(cc1)SCC=O 62a_200015260668_200009811893 [0,1,0,0,0,0|1,1,1]=4 706 B13R1.77 CNCc1ccc(cc1)OCC=O 34a_100000207500_200009817547 [0,1,0,0,0,0|2,0,1]=4 707 B13R1.77 CNCc1ccc(cc1)SCC=O 62a_100000180866_200015260668 [0,1,0,0,0,0|2,0,1]=4 708 B13R1.77 CNCc1ccc(cc1)SCC=O 62a_200015260668_100000180866 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.77 COC=Cc1ccc(cc1)SCF 62a_100015361967_100020630460 [0,1,0,0,0,0|2,1,0]=4 710 B13R1.77 COC=Cc1ccc(cc1)SCF 62a_100020630460_100015361967 [0,1,0,0,0,0|2,1,0]=4 711 B13R1.77 COCc1ccc(cc1)NCC=O 34a_100000694113_200009817547 [0,1,0,0,0,0|1,0,1]=3 712 B13R1.77 COCc1ccc(cc1)OCC=O 34a_200011995677_200009817547 [0,1,0,0,0,0|1,0,1]=3 713 B13R1.77 COCc1ccc(cc1)OCC=O 7a_200011995677_200015260668 [0,1,0,0,0,0|1,0,1]=3 714 B13R1.77 COCc1ccc(cc1)SCC=O 62a_100011493685_200015260668 [0,1,0,0,0,0|1,0,1]=3 715 B13R1.77 COCc1ccc(cc1)SCC=O 62a_200015260668_100011493685 [0,1,0,0,0,0|1,0,1]=3 716 B13R1.77 CSCc1ccc(cc1)NCC=O 2230a_106726388226_200015260668 [0,1,0,0,0,0|1,1,1]=4 717 B13R1.77 CSCc1ccc(cc1)NCC=O 34a_106726388226_200009817547 [0,1,0,0,0,0|1,1,1]=4 718 B13R1.77 CSCc1ccc(cc1)NCC=O 7a_106726388226_200015260668 [0,1,0,0,0,0|1,1,1]=4 719 B13R1.77 NCCc1ccc(cc1)OCC=O 34a_100000743037_200009817547 [0,1,0,0,0,0|2,0,1]=4 720 B13R1.77 NCCc1ccc(cc1)SCC=O 62a_100000755846_200015260668 [0,1,0,0,0,0|2,0,1]=4 721 B13R1.77 NCCc1ccc(cc1)SCC=O 62a_200015260668_100000755846 [0,1,0,0,0,0|2,0,1]=4 722 B13R1.77 O=C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016291818 [0,1,0,0,0,0|0,1,0]=2 723 B13R1.77 O=C/C=C/c1ccc(cc1)SCF 62a_100016291818_100015361967 [0,1,0,0,0,0|0,1,0]=2 724 B13R1.77 O=CCCc1ccc(cc1)SCF 62a_100011361538_100015361967 [0,1,0,0,0,0|0,1,2]=4 725 B13R1.77 O=CCCc1ccc(cc1)SCF 62a_100015361967_100011361538 [0,1,0,0,0,0|0,1,2]=4 726 B13R1.77 O=CCNc1ccc(cc1)CCO 2230a_100011204434_200015260668 [0,1,0,0,0,0|2,0,1]=4 727 B13R1.77 O=CCNc1ccc(cc1)CCO 34a_100011204434_200009817547 [0,1,0,0,0,0|2,0,1]=4 728 B13R1.77 O=CCOc1ccc(cc1)CCBr 34a_100009816426_200009817547 [0,1,0,0,0,0|2,0,1]=4 729 B13R1.77 O=CCOc1ccc(cc1)CCBr 7a_100009816426_200015260668 [0,1,0,0,0,0|2,0,1]=4 730 B13R1.77 O=CCOc1ccc(cc1)CCO 34a_100011215338_200009817547 [0,1,0,0,0,0|2,0,1]=4 731 B13R1.77 O=CCOc1ccc(cc1)CCO 7a_100011215338_200015260668 [0,1,0,0,0,0|2,0,1]=4 732 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_100000766406_200015260668 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.77 O=CCSc1ccc(cc1)CCO 62a_200015260668_100000766406 [0,1,0,0,0,0|2,0,1]=4 734 B13R1.371 C/C=C/CNc1ccc(cc1)CC 34a_100000211069_100102629194 [0,1,0,0,0,0|2,0,1]=4 735 B13R1.371 C/C=C/CNc1ccc(cc1)OC 34a_100000184247_100102629194 [0,1,0,0,0,0|1,0,1]=3 736 B13R1.371 C/C=C/CNc1ccc(cc1)SC 34a_100000212337_100102629194 [0,1,0,0,0,0|1,1,1]=4 737 B13R1.371 C/C=C/COc1ccc(cc1)CC 34a_100000211359_100102629194 [0,1,0,0,0,0|2,0,1]=4 738 B13R1.371 C/C=C/COc1ccc(cc1)CC 7a_100000211359_100102629194 [0,1,0,0,0,0|2,0,1]=4 739 B13R1.371 C/C=C/COc1ccc(cc1)NC 34a_100000182112_100102629194 [0,1,0,0,0,0|2,0,1]=4 740 B13R1.371 C/C=C/COc1ccc(cc1)OC 34a_100000210503_100102629194 [0,1,0,0,0,0|1,0,1]=3 741 B13R1.371 C/C=C/COc1ccc(cc1)SC 34a_100000211864_100102629194 [0,1,0,0,0,0|1,1,1]=4 742 B13R1.371 C/C=C/COc1ccc(cn1)OC 34a_100012002028_100102629194 [0,1,0,0,0,0|2,0,1]=4 743 B13R1.371 C/C=C/COc1ccc(nc1)OC 34a_100011934560_100102629194 [0,1,0,0,0,0|2,0,1]=4 744 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100011215824_100102629194 [0,1,0,0,0,0|2,0,1]=4 745 B13R1.371 C/C=C/CSc1ccc(cc1)CC 62a_100102629194_100011215824 [0,1,0,0,0,0|2,0,1]=4 746 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100000743151_100102629194 [0,1,0,0,0,0|2,0,1]=4 747 B13R1.371 C/C=C/CSc1ccc(cc1)NC 62a_100102629194_100000743151 [0,1,0,0,0,0|2,0,1]=4 748 B13R1.371 C/C=C/CSc1ccc(cc1)OC 62a_100102629194_100000171711 [0,1,0,0,0,0|1,0,1]=3 749 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100011263217_100102629194 [0,1,0,0,0,0|1,1,1]=4 750 B13R1.371 C/C=C/CSc1ccc(cc1)SC 62a_100102629194_100011263217 [0,1,0,0,0,0|1,1,1]=4 751 B13R1.371 C/C=C/CSc1ccc(cn1)OC 62a_100000755202_100102629194 [0,1,0,0,0,0|2,0,1]=4 752 B13R1.371 C/C=C/CSc1ccc(cn1)OC 62a_100102629194_100000744180 [0,1,0,0,0,0|2,0,1]=4 753 B13R1.371 C/C=C/CSc1ccc(nc1)OC 62a_100000047065_100102629194 [0,1,0,0,0,0|2,0,1]=4 754 B13R1.371 C/C=C/CSc1ccc(nc1)OC 62a_100102629194_100000047065 [0,1,0,0,0,0|2,0,1]=4 755 B13R1.371 C=CCCNc1ccc(cc1)OC 34a_100000184247_100000754431 [0,1,0,0,0,0|1,0,2]=4 756 B13R1.371 C=CCCOc1ccc(cc1)OC 34a_100000210503_100000754431 [0,1,0,0,0,0|1,0,2]=4 757 B13R1.371 C=CCCSc1ccc(cc1)OC 62a_100000754431_100000171711 [0,1,0,0,0,0|1,0,2]=4 758 B13R1.371 C=CCNCc1ccc(cc1)OC 2230a_100020586998_100000742318 [0,1,0,0,0,0|1,0,2]=4 759 B13R1.371 C=CCNCc1ccc(cc1)OC 270004a_100020586998_100000169835 [0,1,0,0,0,0|1,0,2]=4 760 B13R1.371 C=CCNCc1ccc(cc1)OC 34a_100000185587_100015514636 [0,1,0,0,0,0|1,0,2]=4 761 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_100000173359_100015514636 [0,1,0,0,0,0|1,0,2]=4 762 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_200000210373_100000742318 [0,1,0,0,0,0|1,0,2]=4 763 B13R1.371 C=CCSCc1ccc(cc1)OC 62a_100000210623_100000742318 [0,1,0,0,0,0|1,0,2]=4 764 B13R1.371 CC=CCNc1ccc(cc1)CC 2230a_100000211069_100000070051 [0,1,0,0,0,0|2,0,1]=4 765 B13R1.371 CC=CCNc1ccc(cc1)CC 34a_100000211069_100000070051 [0,1,0,0,0,0|2,0,1]=4 766 B13R1.371 CC=CCNc1ccc(cc1)OC 34a_100000184247_100000070051 [0,1,0,0,0,0|1,0,1]=3 767 B13R1.371 CC=CCNc1ccc(cc1)SC 34a_100000212337_100000070051 [0,1,0,0,0,0|1,1,1]=4 768 B13R1.371 CC=CCOc1ccc(cc1)CC 34a_100000211359_100000070051 [0,1,0,0,0,0|2,0,1]=4 769 B13R1.371 CC=CCOc1ccc(cc1)CC 7a_100000211359_100000070051 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.371 CC=CCOc1ccc(cc1)NC 34a_100000182112_100000070051 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.371 CC=CCOc1ccc(cc1)OC 34a_100000210503_100000070051 [0,1,0,0,0,0|1,0,1]=3 772 B13R1.371 CC=CCOc1ccc(cc1)SC 34a_100000211864_100000070051 [0,1,0,0,0,0|1,1,1]=4 773 B13R1.371 CC=CCOc1ccc(cn1)OC 34a_100012002028_100000070051 [0,1,0,0,0,0|2,0,1]=4 774 B13R1.371 CC=CCOc1ccc(nc1)OC 34a_100011934560_100000070051 [0,1,0,0,0,0|2,0,1]=4 775 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100000070051_100011215824 [0,1,0,0,0,0|2,0,1]=4 776 B13R1.371 CC=CCSc1ccc(cc1)CC 62a_100011215824_100000070051 [0,1,0,0,0,0|2,0,1]=4 777 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000070051_100000743151 [0,1,0,0,0,0|2,0,1]=4 778 B13R1.371 CC=CCSc1ccc(cc1)NC 62a_100000743151_100000070051 [0,1,0,0,0,0|2,0,1]=4 779 B13R1.371 CC=CCSc1ccc(cc1)OC 62a_100000070051_100000171711 [0,1,0,0,0,0|1,0,1]=3 780 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100000070051_100011263217 [0,1,0,0,0,0|1,1,1]=4 781 B13R1.371 CC=CCSc1ccc(cc1)SC 62a_100011263217_100000070051 [0,1,0,0,0,0|1,1,1]=4 782 B13R1.371 CC=CCSc1ccc(cn1)OC 62a_100000070051_100000744180 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.371 CC=CCSc1ccc(cn1)OC 62a_100000755202_100000070051 [0,1,0,0,0,0|2,0,1]=4 784 B13R1.371 CC=CCSc1ccc(nc1)OC 62a_100000047065_100000070051 [0,1,0,0,0,0|2,0,1]=4 785 B13R1.371 CC=CCSc1ccc(nc1)OC 62a_100000070051_100000047065 [0,1,0,0,0,0|2,0,1]=4 786 B13R1.371 CC=NNCc1ccc(cc1)OC 4a_100000741578_200000210099 [0,1,0,0,0,0|2,0,1]=4 787 B13R1.371 CCC=NNc1ccc(cc1)OC 4a_100000005221_100000210100 [0,1,0,0,0,0|2,0,1]=4 788 B13R1.371 CCCC=Cc1ccc(cc1)CC 271570a_100016258520_100011215824 [0,1,0,0,0,0|2,0,1]=4 789 B13R1.371 CCCC=Cc1ccc(cc1)NC 271570a_100016258520_100000219623 [0,1,0,0,0,0|2,0,1]=4 790 B13R1.371 CCCC=Cc1ccc(cc1)OC 271570a_100016258520_100000171711 [0,1,0,0,0,0|1,0,1]=3 791 B13R1.371 CCCC=Cc1ccc(cc1)SC 271570a_100016258520_100011263217 [0,1,0,0,0,0|1,1,1]=4 792 B13R1.371 CCCC=Cc1ccc(cn1)OC 271570a_100016258520_100000755202 [0,1,0,0,0,0|2,0,1]=4 793 B13R1.371 CCCC=Cc1ccc(nc1)OC 271570a_100016258520_100000047065 [0,1,0,0,0,0|2,0,1]=4 794 B13R1.371 CCNN=Cc1ccc(cc1)OC 4a_100000756455_100000169835 [0,1,0,0,0,0|2,0,1]=4 795 B13R1.371 CCOC=Cc1ccc(cc1)CC 271570a_100016256518_100011215824 [0,1,0,0,0,0|2,0,1]=4 796 B13R1.371 CCOC=Cc1ccc(cc1)NC 271570a_100016256518_100000219623 [0,1,0,0,0,0|2,0,1]=4 797 B13R1.371 CCOC=Cc1ccc(cc1)OC 271570a_100016256518_100000171711 [0,1,0,0,0,0|1,0,1]=3 798 B13R1.371 CCOC=Cc1ccc(cc1)SC 271570a_100016256518_100011263217 [0,1,0,0,0,0|1,1,1]=4 799 B13R1.371 CCOC=Cc1ccc(cn1)OC 271570a_100016256518_100000755202 [0,1,0,0,0,0|2,0,1]=4 800 B13R1.371 CCOC=Cc1ccc(nc1)OC 271570a_100016256518_100000047065 [0,1,0,0,0,0|2,0,1]=4 801 B13R1.371 CCc1ccc(cc1)C=CCOC 271570a_100016286323_100011215824 [0,1,0,0,0,0|1,0,2]=4 802 B13R1.371 CCc1ccc(cc1)CNCC=O 2230a_100000721222_200015260668 [0,1,0,0,0,0|1,0,2]=4 803 B13R1.371 CCc1ccc(cc1)CNCC=O 34a_100000721222_200009817547 [0,1,0,0,0,0|1,0,2]=4 804 B13R1.371 CCc1ccc(cc1)COCC=O 34a_100000702245_200009817547 [0,1,0,0,0,0|1,0,2]=4 805 B13R1.371 CCc1ccc(cc1)COCC=O 7a_100000702245_200015260668 [0,1,0,0,0,0|1,0,2]=4 806 B13R1.371 CCc1ccc(cc1)CSCC=O 62a_100000757233_200015260668 [0,1,0,0,0,0|1,0,2]=4 807 B13R1.371 CCc1ccc(cc1)CSCC=O 62a_200015260668_100000747183 [0,1,0,0,0,0|1,0,2]=4 808 B13R1.371 CNCC=Cc1ccc(cc1)OC 270004a_106832991635_100016259823 [0,1,0,0,0,0|1,0,1]=3 809 B13R1.371 CNc1ccc(cc1)C=CCOC 271570a_100016286323_100000219623 [0,1,0,0,0,0|1,0,2]=4 810 B13R1.371 COC/C=C/c1ccc(cc1)OC 34a_200016269047_200000210301 [0,1,0,0,0,0|0,0,2]=3 811 B13R1.371 COCC=Cc1ccc(cc1)OC 271570a_100016286323_100000171711 [0,1,0,0,0,0|0,0,2]=3 812 B13R1.371 COCC=Cc1ccc(cc1)SC 271570a_100016286323_100011263217 [0,1,0,0,0,0|0,1,2]=4 813 B13R1.371 COCC=Cc1ccc(cn1)OC 271570a_100016286323_100000755202 [0,1,0,0,0,0|1,0,2]=4 814 B13R1.371 COCC=Cc1ccc(nc1)OC 271570a_100016286323_100000047065 [0,1,0,0,0,0|1,0,2]=4 815 B13R1.371 COc1ccc(cc1)/C=C/CO[13CH3] 34a_200016269047_200025704644 [0,1,0,0,0,0|0,0,2]=3 816 B13R1.371 COc1ccc(cc1)CNCC=O 34a_100000185587_200009817547 [0,1,0,0,0,0|0,0,2]=3 817 B13R1.371 COc1ccc(cc1)COCC=O 34a_100000173359_200009817547 [0,1,0,0,0,0|0,0,2]=3 818 B13R1.371 COc1ccc(cc1)CSCC=O 62a_200015260668_100000742318 [0,1,0,0,0,0|0,0,2]=3 819 B13R1.371 COc1ccc(cn1)CNCC=O 2230a_100000241975_200015260668 [0,1,0,0,0,0|1,0,2]=4 820 B13R1.371 COc1ccc(cn1)COCC=O 34a_100000763316_200009817547 [0,1,0,0,0,0|1,0,2]=4 821 B13R1.371 COc1ccc(cn1)CSCC=O 62a_100020631284_200015260668 [0,1,0,0,0,0|1,0,2]=4 822 B13R1.371 COc1ccc(cn1)CSCC=O 62a_200015260668_100020631284 [0,1,0,0,0,0|1,0,2]=4 823 B13R1.371 COc1ccc(nc1)CNCC=O 34a_100000703904_200009817547 [0,1,0,0,0,0|1,0,2]=4 824 B13R1.371 COc1ccc(nc1)COCC=O 34a_100011998694_200009817547 [0,1,0,0,0,0|1,0,2]=4 825 B13R1.371 COc1ccc(nc1)CSCC=O 62a_200000757186_200015260668 [0,1,0,0,0,0|1,0,2]=4 826 B13R1.371 COc1ccc(nc1)CSCC=O 62a_200015260668_200000757186 [0,1,0,0,0,0|1,0,2]=4 827 B13R1.371 CSc1ccc(cc1)CCNC=O 62a_200000210301_200012351260 [0,1,0,0,0,0|0,1,2]=4 828 B13R1.371 CSc1ccc(cc1)CCNC=O 62a_200012351260_200000210301 [0,1,0,0,0,0|0,1,2]=4 829 B13R1.371 CSc1ccc(cc1)CNCC=O 2230a_100000174980_200015260668 [0,1,0,0,0,0|0,1,2]=4 830 B13R1.371 CSc1ccc(cc1)CNCC=O 34a_100000174980_200009817547 [0,1,0,0,0,0|0,1,2]=4 831 B13R1.371 CSc1ccc(cc1)COCC=O 34a_100011215404_200009817547 [0,1,0,0,0,0|0,1,2]=4 832 B13R1.371 CSc1ccc(cc1)COCC=O 7a_100011215404_200015260668 [0,1,0,0,0,0|0,1,2]=4 833 B13R1.371 CSc1ccc(cc1)CSCC=O 62a_100000181263_200015260668 [0,1,0,0,0,0|0,1,2]=4 834 B13R1.371 CSc1ccc(cc1)CSCC=O 62a_200015260668_100000181263 [0,1,0,0,0,0|0,1,2]=4 835 B13R1.371 [13CH3]Sc1ccc(cc1)CCNC=O 62a_200012351260_200025704644 [0,1,0,0,0,0|0,1,2]=4 836 B13R1.371 [13CH3]Sc1ccc(cc1)CCNC=O 62a_200025704644_200012351260 [0,1,0,0,0,0|0,1,2]=4 837 B13R1.452 C#CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000184674 [0,1,0,0,0,0|1,0,2]=4 838 B13R1.452 C=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210623 [0,1,0,0,0,0|2,0,1]=4 839 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,1,0,0,0,0|1,0,1]=3 840 B13R1.452 C=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210623 [0,1,0,0,0,0|1,1,1]=4 841 B13R1.452 C=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210623 [0,1,0,0,0,0|2,0,1]=4 842 B13R1.452 C=CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210623 [0,1,0,0,0,0|2,0,1]=4 843 B13R1.452 C=CCN(C)c1ccc(cc1)OC 34a_100000220023_100015514636 [0,1,0,0,0,0|2,0,1]=4 844 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,1,0,0,0,0|1,0,2]=4 845 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,1,0,0,0,0|1,0,2]=4 846 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,1,0,0,0,0|1,0,2]=4 847 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,1,0,0,0,0|1,0,2]=4 848 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,1,0,0,0,0|1,0,2]=4 849 B13R1.452 CCNC(=O)c1ccc(cc1)OC 11a_100015525214_100000184203 [0,1,0,0,0,0|2,0,1]=4 850 B13R1.452 CCNC(=O)c1ccc(cc1)OC 240690a_100015525214_100000184203 [0,1,0,0,0,0|2,0,1]=4 851 B13R1.452 CCNC(=O)c1ccc(cc1)OC 527a_100015525214_100000184203 [0,1,0,0,0,0|2,0,1]=4 852 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,1,0,0,0,0|2,0,1]=4 853 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,1,0,0,0,0|2,0,1]=4 854 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,1,0,0,0,0|2,0,1]=4 855 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,1,0,0,0,0|2,0,1]=4 856 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,1,0,0,0,0|2,0,1]=4 857 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,1,0,0,0,0|2,0,1]=4 858 B13R1.452 CNNC(=O)c1ccc(cc1)OC 22a_100016993582_100000184203 [0,1,0,0,0,0|3,0,0]=4 859 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,1,0,0,0,0|2,0,1]=4 860 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,1,0,0,0,0|2,0,1]=4 863 B13R1.452 COc1ccc(cc1)C(=O)CC#N 1458a_100000184203_100011214920 [0,1,0,0,0,0|1,0,2]=4 864 B13R1.452 COc1ccc(cc1)C(=O)CC#N 7a_100009871544_200000210301 [0,1,0,0,0,0|1,0,2]=4 865 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,1,0,0,0,0|1,0,2]=4 866 B13R1.452 COc1ccc(cc1)C(=O)CCF 1458a_100000184203_100011217306 [0,1,0,0,0,0|1,0,2]=4 867 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,1,0,0,0,0|0,0,3]=4 868 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,1,0,0,0,0|2,0,1]=4 870 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,1,0,0,0,0|2,0,1]=4 872 B13R1.452 COc1ccc(cc1)N(C)CC=O 2230a_100000220023_200015260668 [0,1,0,0,0,0|1,0,1]=3 873 B13R1.452 COc1ccc(cc1)N(C)CC=O 269982a_100000220023_200015260668 [0,1,0,0,0,0|1,0,1]=3 874 B13R1.452 COc1ccc(cc1)N(C)CC=O 34a_100000220023_200009817547 [0,1,0,0,0,0|1,0,1]=3 875 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200000210301_200020603514 [0,1,0,0,0,0|0,1,0]=2 876 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200000210301 [0,1,0,0,0,0|0,1,0]=2 877 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CC#N 7a_100009871544_200025704644 [0,1,0,0,0,0|1,0,2]=4 878 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,1,0,0,0,0|1,0,2]=4 879 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200025704644 [0,1,0,0,0,0|0,1,0]=2 880 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200025704644_200020603514 [0,1,0,0,0,0|0,1,0]=2 881 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100015514636 [0,1,0,0,0,0|2,0,1]=4 882 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [0,1,0,0,0,0|2,0,1]=4 883 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [0,1,0,0,0,0|2,0,1]=4 884 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [0,1,0,0,0,0|2,0,1]=4 885 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210623 [0,1,0,0,0,0|2,0,1]=4 886 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100015514636 [0,1,0,0,0,0|2,0,1]=4 887 B13R1.577 C=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210623 [0,1,0,0,0,0|2,0,1]=4 888 B13R1.577 C=CCNc1ccc(c(c1)F)OC 34a_100000740183_100015514636 [0,1,0,0,0,0|2,0,1]=4 889 B13R1.577 C=CCNc1ccc(c(c1)I)OC 34a_100011356947_100015514636 [0,1,0,0,0,0|2,0,1]=4 890 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [0,1,0,0,0,0|2,0,1]=4 891 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100015514636 [0,1,0,0,0,0|2,0,1]=4 892 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100015514636 [0,1,0,0,0,0|2,0,1]=4 893 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [0,1,0,0,0,0|2,0,1]=4 894 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [0,1,0,0,0,0|2,0,1]=4 895 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100015514636 [0,1,0,0,0,0|2,0,1]=4 896 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100015514636 [0,1,0,0,0,0|2,0,1]=4 897 B13R1.577 C=CCOc1ccc(c(c1)F)OC 34a_100000746305_100015514636 [0,1,0,0,0,0|2,0,1]=4 898 B13R1.577 C=CCOc1ccc(c(c1)F)OC 7a_100000746305_100015514636 [0,1,0,0,0,0|2,0,1]=4 899 B13R1.577 C=CCOc1ccc(c(c1)I)OC 34a_100010084122_100015514636 [0,1,0,0,0,0|2,0,1]=4 900 B13R1.577 C=CCOc1ccc(c(c1)I)OC 7a_100010084122_100015514636 [0,1,0,0,0,0|2,0,1]=4 901 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100000210623_100011249507 [0,1,0,0,0,0|2,0,1]=4 902 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210623 [0,1,0,0,0,0|2,0,1]=4 903 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [0,1,0,0,0,0|2,0,1]=4 904 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [0,1,0,0,0,0|2,0,1]=4 905 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100000210623_100012355395 [0,1,0,0,0,0|2,0,1]=4 906 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210623 [0,1,0,0,0,0|2,0,1]=4 907 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210623 [0,1,0,0,0,0|2,0,1]=4 908 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000210623_100000171752 [0,1,0,0,0,0|2,0,1]=4 909 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100000210623_100011249504 [0,1,0,0,0,0|2,0,1]=4 910 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210623 [0,1,0,0,0,0|2,0,1]=4 911 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [0,1,0,0,0,0|2,0,1]=4 912 B13R1.577 CC=NNc1ccc(c(c1)Cl)OC 4a_100000699481_200000210099 [0,1,0,0,0,0|3,0,0]=4 913 B13R1.577 CCc1ccc(cc1Cl)NCC=O 2230a_100000766362_200015260668 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.577 CCc1ccc(cc1Cl)NCC=O 34a_100000766362_200009817547 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.577 CCc1ccc(cc1Cl)NCC=O 7a_100000766362_200015260668 [0,1,0,0,0,0|2,0,1]=4 916 B13R1.577 CCc1ccc(cc1Cl)OCC=O 34a_100009886192_200009817547 [0,1,0,0,0,0|2,0,1]=4 917 B13R1.577 CCc1ccc(cc1Cl)OCC=O 7a_100009886192_200015260668 [0,1,0,0,0,0|2,0,1]=4 918 B13R1.577 CCc1ccc(cc1F)SCC=O 62a_200010071577_200015260668 [0,1,0,0,0,0|2,0,1]=4 919 B13R1.577 CCc1ccc(cc1F)SCC=O 62a_200015260668_200010071577 [0,1,0,0,0,0|2,0,1]=4 920 B13R1.577 CCc1ccc(cc1N)SCC=O 62a_100012354963_200015260668 [0,1,0,0,0,0|2,0,1]=4 921 B13R1.577 CCc1ccc(cc1N)SCC=O 62a_200015260668_100012354963 [0,1,0,0,0,0|2,0,1]=4 922 B13R1.577 CNc1ccc(cc1C)OCC=O 34a_100161107805_200009817547 [0,1,0,0,0,0|2,0,1]=4 923 B13R1.577 CNc1ccc(cc1C)OCC=O 7a_100161107805_200015260668 [0,1,0,0,0,0|2,0,1]=4 924 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_100000221803_200015260668 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.577 CNc1ccc(cc1C)SCC=O 62a_200015260668_100000221803 [0,1,0,0,0,0|2,0,1]=4 926 B13R1.577 CNc1ccc(cc1F)SCC=O 62a_100000743884_200015260668 [0,1,0,0,0,0|2,0,1]=4 927 B13R1.577 CNc1ccc(cc1F)SCC=O 62a_200015260668_100000743884 [0,1,0,0,0,0|2,0,1]=4 928 B13R1.577 CNc1ccc(cc1N)SCC=O 62a_100000741790_200015260668 [0,1,0,0,0,0|2,0,1]=4 929 B13R1.577 COc1ccc(cc1Br)NCC=O 34a_100000187427_200009817547 [0,1,0,0,0,0|1,0,1]=3 930 B13R1.577 COc1ccc(cc1Br)OCC=O 34a_100010234764_200009817547 [0,1,0,0,0,0|1,0,1]=3 931 B13R1.577 COc1ccc(cc1Br)OCC=O 7a_100010234764_200015260668 [0,1,0,0,0,0|1,0,1]=3 932 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_100011249507_200015260668 [0,1,0,0,0,0|1,0,1]=3 933 B13R1.577 COc1ccc(cc1Br)SCC=O 62a_200015260668_100011249507 [0,1,0,0,0,0|1,0,1]=3 934 B13R1.577 COc1ccc(cc1C)NCC=O 2230a_100000743268_200015260668 [0,1,0,0,0,0|1,0,1]=3 935 B13R1.577 COc1ccc(cc1C)NCC=O 34a_100000743268_200009817547 [0,1,0,0,0,0|1,0,1]=3 936 B13R1.577 COc1ccc(cc1C)NCC=O 7a_100000743268_200015260668 [0,1,0,0,0,0|1,0,1]=3 937 B13R1.577 COc1ccc(cc1C)OCC=O 34a_100000759738_200009817547 [0,1,0,0,0,0|1,0,1]=3 938 B13R1.577 COc1ccc(cc1C)OCC=O 7a_100000759738_200015260668 [0,1,0,0,0,0|1,0,1]=3 939 B13R1.577 COc1ccc(cc1C)SCC=O 62a_100011219705_200015260668 [0,1,0,0,0,0|1,0,1]=3 940 B13R1.577 COc1ccc(cc1C)SCC=O 62a_200015260668_100011219705 [0,1,0,0,0,0|1,0,1]=3 941 B13R1.577 COc1ccc(cc1Cl)NCC=O 2230a_100000211044_200015260668 [0,1,0,0,0,0|1,0,1]=3 942 B13R1.577 COc1ccc(cc1Cl)NCC=O 34a_100000211044_200009817547 [0,1,0,0,0,0|1,0,1]=3 943 B13R1.577 COc1ccc(cc1Cl)OCC=O 34a_200009861682_200009817547 [0,1,0,0,0,0|1,0,1]=3 944 B13R1.577 COc1ccc(cc1Cl)OCC=O 7a_200009861682_200015260668 [0,1,0,0,0,0|1,0,1]=3 945 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_100012355395_200015260668 [0,1,0,0,0,0|1,0,1]=3 946 B13R1.577 COc1ccc(cc1Cl)SCC=O 62a_200015260668_100012355395 [0,1,0,0,0,0|1,0,1]=3 947 B13R1.577 COc1ccc(cc1F)NCC=O 2230a_100000740183_200015260668 [0,1,0,0,0,0|1,0,1]=3 948 B13R1.577 COc1ccc(cc1F)NCC=O 34a_100000740183_200009817547 [0,1,0,0,0,0|1,0,1]=3 949 B13R1.577 COc1ccc(cc1F)OCC=O 34a_100000746305_200009817547 [0,1,0,0,0,0|1,0,1]=3 950 B13R1.577 COc1ccc(cc1F)OCC=O 7a_100000746305_200015260668 [0,1,0,0,0,0|1,0,1]=3 951 B13R1.577 COc1ccc(cc1F)SCC=O 62a_100000171752_200015260668 [0,1,0,0,0,0|1,0,1]=3 952 B13R1.577 COc1ccc(cc1F)SCC=O 62a_200015260668_100000171752 [0,1,0,0,0,0|1,0,1]=3 953 B13R1.577 COc1ccc(cc1I)NCC=O 34a_100011356947_200009817547 [0,1,0,0,0,0|1,0,1]=3 954 B13R1.577 COc1ccc(cc1I)OCC=O 34a_100010084122_200009817547 [0,1,0,0,0,0|1,0,1]=3 955 B13R1.577 COc1ccc(cc1I)OCC=O 7a_100010084122_200015260668 [0,1,0,0,0,0|1,0,1]=3 956 B13R1.577 COc1ccc(cc1N)SCC=O 62a_100011249504_200015260668 [0,1,0,0,0,0|1,0,1]=3 957 B13R1.577 COc1ccc(cc1N)SCC=O 62a_200015260668_100011249504 [0,1,0,0,0,0|1,0,1]=3 958 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [0,1,0,0,0,0|1,0,1]=3 959 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [0,1,0,0,0,0|1,0,1]=3 960 B13R1.577 COc1ccc(nc1Br)SCC=O 62a_100010214827_200015260668 [0,1,0,0,0,0|2,0,1]=4 961 B13R1.577 COc1ccc(nc1Br)SCC=O 62a_200015260668_100010214827 [0,1,0,0,0,0|2,0,1]=4 962 B13R1.577 COc1ccc(nc1C)SCC=O 62a_100010244750_200015260668 [0,1,0,0,0,0|2,0,1]=4 963 B13R1.577 COc1ccc(nc1C)SCC=O 62a_200015260668_100010244750 [0,1,0,0,0,0|2,0,1]=4 964 B13R1.577 COc1ccc(nc1Cl)SCC=O 62a_200015260668_100010233546 [0,1,0,0,0,0|2,0,1]=4 965 B13R1.577 COc1ccc(nc1F)SCC=O 62a_100010138636_200015260668 [0,1,0,0,0,0|2,0,1]=4 966 B13R1.577 COc1ccc(nc1F)SCC=O 62a_200015260668_100010138636 [0,1,0,0,0,0|2,0,1]=4 967 B13R1.577 COc1ccc(nc1N)SCC=O 62a_100010192976_200015260668 [0,1,0,0,0,0|2,0,1]=4 968 B13R1.577 COc1cnc(cc1N)SCC=O 62a_100010896307_200015260668 [0,1,0,0,0,0|2,0,1]=4 969 B13R1.577 COc1cnc(cc1N)SCC=O 62a_200015260668_100010896307 [0,1,0,0,0,0|2,0,1]=4 970 B13R1.577 COc1cnc(cc1O)SCC=O 62a_200015260668_100010264082 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.577 COc1ncc(cc1Br)SCC=O 62a_200010988584_200015260668 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.577 COc1ncc(cc1Br)SCC=O 62a_200015260668_200010988584 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.577 COc1ncc(cc1C)SCC=O 62a_100011290809_200015260668 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.577 COc1ncc(cc1C)SCC=O 62a_200015260668_100011290809 [0,1,0,0,0,0|2,0,1]=4 975 B13R1.577 COc1ncc(cc1F)SCC=O 62a_100011880707_200015260668 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.577 COc1ncc(cc1F)SCC=O 62a_200015260668_100011880707 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.577 COc1ncc(cc1N)SCC=O 62a_100000748608_200015260668 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.577 COc1ncc(cc1N)SCC=O 62a_200015260668_100000748608 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.577 COc1ncc(cc1O)SCC=O 62a_200015260668_100010135713 [0,1,0,0,0,0|2,0,1]=4 980 B13R1.577 CSc1ccc(cc1C)OCC=O 34a_100000030144_200009817547 [0,1,0,0,0,0|1,1,1]=4 981 B13R1.577 CSc1ccc(cc1Cl)SCC=O 62a_200015260668_206447510565 [0,1,0,0,0,0|1,1,1]=4 982 B13R1.577 CSc1ccc(cc1Cl)SCC=O 62a_206447510565_200015260668 [0,1,0,0,0,0|1,1,1]=4 983 B13R1.577 CSc1ccc(cc1F)NCC=O 2230a_100000762756_200015260668 [0,1,0,0,0,0|1,1,1]=4 984 B13R1.577 CSc1ccc(cc1F)NCC=O 34a_100000762756_200009817547 [0,1,0,0,0,0|1,1,1]=4 985 B13R1.577 CSc1ccc(cc1F)SCC=O 62a_100010161220_200015260668 [0,1,0,0,0,0|1,1,1]=4 986 B13R1.577 CSc1ccc(cc1F)SCC=O 62a_200015260668_100010161220 [0,1,0,0,0,0|1,1,1]=4 987 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,0,0,1,0,0|2,0,1]=4 988 B13R2.57 C=Cc1ccc2cccnc2c1 271570a_100011290941_100009816655 [0,0,0,1,0,0|2,0,1]=4 989 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [0,0,0,1,0,0|2,0,0]=3 990 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [0,0,0,1,0,0|2,0,0]=3 991 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [0,0,0,1,0,0|3,0,0]=4 992 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [0,0,0,1,0,0|2,0,0]=3 993 B13R2.57 CNc1ccc2cccnc2n1 27a_100102657272_100000075685 [0,0,0,1,0,0|3,0,0]=4 994 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [0,0,0,1,0,0|3,0,0]=4 995 B13R2.57 CNc1ccc2cncnc2c1 27a_100102657272_100010185614 [0,0,0,1,0,0|3,0,0]=4 996 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [0,0,0,1,0,0|3,0,0]=4 997 B13R2.57 CNc1ccc2nccnc2c1 27a_100102657272_100011219451 [0,0,0,1,0,0|3,0,0]=4 998 B13R2.57 CNc1ccc2nccnc2c1 34a_100011219565_200000210301 [0,0,0,1,0,0|3,0,0]=4 999 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,0,0,1,0,0|1,0,0]=2 1000 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,0,0,1,0,0|1,0,0]=2 1001 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [0,0,0,1,0,0|1,0,0]=2 1002 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [0,0,0,1,0,0|2,0,0]=3 1003 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [0,0,0,1,0,0|2,0,0]=3 1004 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [0,0,0,1,0,0|2,0,0]=3 1005 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [0,0,0,1,0,0|2,0,0]=3 1006 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [0,0,0,1,0,0|2,0,0]=3 1007 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [0,0,0,1,0,0|2,0,0]=3 1008 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,0,0,1,0,0|2,0,0]=3 1009 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,0,0,1,0,0|2,0,0]=3 1010 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [0,0,0,1,0,0|2,1,0]=4 1011 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [0,0,0,1,0,0|2,1,0]=4 1012 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [0,0,0,1,0,0|1,1,0]=3 1013 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [0,0,0,1,0,0|2,1,0]=4 1014 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [0,0,0,1,0,0|2,1,0]=4 1015 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [0,0,0,1,0,0|1,1,0]=3 1016 B13R2.57 CSc1ccc2cccnc2n1 62a_100000075685_200000210301 [0,0,0,1,0,0|2,1,0]=4 1017 B13R2.57 CSc1ccc2cccnc2n1 62a_200000210301_100000075685 [0,0,0,1,0,0|2,1,0]=4 1018 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [0,0,0,1,0,0|2,1,0]=4 1019 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [0,0,0,1,0,0|2,1,0]=4 1020 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [0,0,0,1,0,0|2,1,0]=4 1021 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [0,0,0,1,0,0|2,1,0]=4 1022 B13R2.57 CSc1ccc2cncnc2c1 62a_100010185614_200000210301 [0,0,0,1,0,0|2,1,0]=4 1023 B13R2.57 CSc1ccc2cncnc2c1 62a_200000210301_100010185614 [0,0,0,1,0,0|2,1,0]=4 1024 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [0,0,0,1,0,0|2,1,0]=4 1025 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [0,0,0,1,0,0|2,1,0]=4 1026 B13R2.57 CSc1ccc2nccnc2c1 62a_100011219451_200000210301 [0,0,0,1,0,0|2,1,0]=4 1027 B13R2.57 CSc1ccc2nccnc2c1 62a_200000210301_100011219451 [0,0,0,1,0,0|2,1,0]=4 1028 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [0,0,0,1,0,0|2,1,0]=4 1029 B13R2.57 CSc1cnc2cccnc2c1 62a_100010246316_200000210301 [0,0,0,1,0,0|2,1,0]=4 1030 B13R2.57 CSc1cnc2cccnc2c1 62a_200000210301_100010246316 [0,0,0,1,0,0|2,1,0]=4 1031 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [0,0,0,1,0,0|2,0,0]=3 1032 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [0,0,0,1,0,0|2,0,0]=3 1033 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [0,0,0,1,0,0|2,0,0]=3 1034 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [0,0,0,1,0,0|3,0,0]=4 1035 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [0,0,0,1,0,0|3,0,0]=4 1036 B13R2.57 [13CH3]Nc1ccc2nccnc2c1 34a_100011219565_200025704644 [0,0,0,1,0,0|3,0,0]=4 1037 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,0,0,1,0,0|1,0,0]=2 1038 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,0,0,1,0,0|1,0,0]=2 1039 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [0,0,0,1,0,0|1,0,0]=2 1040 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [0,0,0,1,0,0|2,0,0]=3 1041 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [0,0,0,1,0,0|2,0,0]=3 1042 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [0,0,0,1,0,0|2,0,0]=3 1043 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [0,0,0,1,0,0|2,0,0]=3 1044 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [0,0,0,1,0,0|2,0,0]=3 1045 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [0,0,0,1,0,0|2,0,0]=3 1046 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,0,0,1,0,0|2,0,0]=3 1047 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,0,0,1,0,0|2,0,0]=3 1048 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [0,0,0,1,0,0|2,1,0]=4 1049 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [0,0,0,1,0,0|2,1,0]=4 1050 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [0,0,0,1,0,0|1,1,0]=3 1051 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [0,0,0,1,0,0|2,1,0]=4 1052 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [0,0,0,1,0,0|2,1,0]=4 1053 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [0,0,0,1,0,0|1,1,0]=3 1054 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_100000075685_200025704644 [0,0,0,1,0,0|2,1,0]=4 1055 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_200025704644_100000075685 [0,0,0,1,0,0|2,1,0]=4 1056 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [0,0,0,1,0,0|2,1,0]=4 1057 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [0,0,0,1,0,0|2,1,0]=4 1058 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [0,0,0,1,0,0|2,1,0]=4 1059 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [0,0,0,1,0,0|2,1,0]=4 1060 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_100010185614_200025704644 [0,0,0,1,0,0|2,1,0]=4 1061 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_200025704644_100010185614 [0,0,0,1,0,0|2,1,0]=4 1062 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [0,0,0,1,0,0|2,1,0]=4 1063 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [0,0,0,1,0,0|2,1,0]=4 1064 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_100011219451_200025704644 [0,0,0,1,0,0|2,1,0]=4 1065 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_200025704644_100011219451 [0,0,0,1,0,0|2,1,0]=4 1066 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [0,0,0,1,0,0|2,1,0]=4 1067 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_100010246316_200025704644 [0,0,0,1,0,0|2,1,0]=4 1068 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_200025704644_100010246316 [0,0,0,1,0,0|2,1,0]=4 1069 B13R2.467 O=CCSc1ccc2c(c1)CC2 62a_100009818592_200015260668 [0,0,0,1,0,0|2,0,1]=4 1070 B13R2.467 O=CCSc1ccc2c(c1)CC2 62a_200015260668_100009818592 [0,0,0,1,0,0|2,0,1]=4 1071 B13R2.669 CNc1ccc2ccn(c2c1)C 34a_100000712629_200000210301 [0,0,0,1,0,0|3,0,0]=4 1072 B13R2.669 CNc1ccc2scc(c2c1)Br 2230a_100011178648_200000210301 [0,0,0,1,0,0|3,0,0]=4 1073 B13R2.669 CNc1ccc2scc(c2c1)Br 34a_100011178648_200000210301 [0,0,0,1,0,0|3,0,0]=4 1074 B13R2.669 COc1cc2c(c[nH]c2cn1)O 271570a_203496583355_200010163580 [0,0,0,1,0,0|2,0,1]=4 1075 B13R2.669 COc1ccc2[nH]cc(c2c1)C 34a_100000131216_200000210301 [0,0,0,1,0,0|2,0,0]=3 1076 B13R2.669 COc1ccc2[nH]cc(c2n1)O 271570a_203496583355_100010199035 [0,0,0,1,0,0|2,0,1]=4 1077 B13R2.669 COc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353730 [0,0,0,1,0,0|2,0,1]=4 1078 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [0,0,0,1,0,0|0,0,2]=3 1079 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [0,0,0,1,0,0|0,0,2]=3 1080 B13R2.669 COc1ccc2c(c1)C(=O)NC2 34a_100000087830_200000210301 [0,0,0,1,0,0|1,0,1]=3 1081 B13R2.669 COc1ccc2cnn(c2c1)C 34a_100009862793_200000210301 [0,0,0,1,0,0|3,0,0]=4 1082 B13R2.669 COc1cnc2[nH]cc(c2c1)O 271570a_203496583355_100010199036 [0,0,0,1,0,0|2,0,1]=4 1083 B13R2.669 CSc1ccc2[nH][nH]c(=O)c2c1 62a_200000210301_100012353726 [0,0,0,1,0,0|2,1,0]=4 1084 B13R2.669 CSc1ccc2[nH]cc(c2c1)C 62a_200000210301_100009816687 [0,0,0,1,0,0|2,1,0]=4 1085 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_100000759401_200000210301 [0,0,0,1,0,0|0,1,2]=4 1086 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 62a_200000210301_100000759401 [0,0,0,1,0,0|0,1,2]=4 1087 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,0,0,1,0,0|1,1,1]=4 1088 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_100000688121_200000210301 [0,0,0,1,0,0|1,1,1]=4 1089 B13R2.669 CSc1ccc2c(c1)C(=O)NC2 62a_200000210301_100000688121 [0,0,0,1,0,0|1,1,1]=4 1090 B13R2.669 CSc1ccc2c(c1)C(=O)OC2 62a_100000693025_200000210301 [0,0,0,1,0,0|1,1,1]=4 1091 B13R2.669 CSc1ccc2ccn(c2c1)C 62a_200000210301_100011934912 [0,0,0,1,0,0|2,1,0]=4 1092 B13R2.669 CSc1ccc2o[nH]c(=O)c2c1 62a_200000210301_100000732257 [0,0,0,1,0,0|2,1,0]=4 1093 B13R2.669 CSc1ccc2occ(c2c1)C 62a_200000210301_100000728893 [0,0,0,1,0,0|2,1,0]=4 1094 B13R2.669 CSc1ccc2scc(c2c1)C 62a_200000210301_100009814196 [0,0,0,1,0,0|2,1,0]=4 1095 B13R2.669 Cc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000131216_200025704644 [0,0,0,1,0,0|2,0,0]=3 1096 B13R2.669 Cc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009816687 [0,0,0,1,0,0|2,1,0]=4 1097 B13R2.669 Cc1coc2c1cc(cc2)S[13CH3] 62a_200025704644_100000728893 [0,0,0,1,0,0|2,1,0]=4 1098 B13R2.669 Cc1csc2c1cc(cc2)S[13CH3] 62a_200025704644_100009814196 [0,0,0,1,0,0|2,1,0]=4 1099 B13R2.669 Cn1ccc2c1cc(cc2)N[13CH3] 34a_100000712629_200025704644 [0,0,0,1,0,0|3,0,0]=4 1100 B13R2.669 Cn1ccc2c1cc(cc2)S[13CH3] 62a_200025704644_100011934912 [0,0,0,1,0,0|2,1,0]=4 1101 B13R2.669 Cn1ncc2c1cc(cc2)O[13CH3] 34a_100009862793_200025704644 [0,0,0,1,0,0|3,0,0]=4 1102 B13R2.669 [13CH3]Nc1ccc2scc(c2c1)Br 2230a_100011178648_200025704644 [0,0,0,1,0,0|3,0,0]=4 1103 B13R2.669 [13CH3]Nc1ccc2scc(c2c1)Br 34a_100011178648_200025704644 [0,0,0,1,0,0|3,0,0]=4 1104 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [0,0,0,1,0,0|0,0,2]=3 1105 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [0,0,0,1,0,0|0,0,2]=3 1106 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)NC2 34a_100000087830_200025704644 [0,0,0,1,0,0|1,0,1]=3 1107 B13R2.669 [13CH3]Sc1ccc2[nH][nH]c(=O)c2c1 62a_200025704644_100012353726 [0,0,0,1,0,0|2,1,0]=4 1108 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_100000759401_200025704644 [0,0,0,1,0,0|0,1,2]=4 1109 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CC2 62a_200025704644_100000759401 [0,0,0,1,0,0|0,1,2]=4 1110 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,0,0,1,0,0|1,1,1]=4 1111 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_100000688121_200025704644 [0,0,0,1,0,0|1,1,1]=4 1112 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)NC2 62a_200025704644_100000688121 [0,0,0,1,0,0|1,1,1]=4 1113 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)OC2 62a_100000693025_200025704644 [0,0,0,1,0,0|1,1,1]=4 1114 B13R2.669 [13CH3]Sc1ccc2o[nH]c(=O)c2c1 62a_200025704644_100000732257 [0,0,0,1,0,0|2,1,0]=4 1115 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [2,0,0,0,0,0|0,0,1]=3 1116 B10R1.1 C=C=Cc1ccc(cc1)Br 271570a_100015277604_100000752885 [2,0,0,0,0,0|1,0,1]=4 1117 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [2,0,0,0,0,0|0,0,1]=3 1118 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [2,0,0,0,0,0|1,0,1]=4 1119 B10R1.1 C=C=Cc1ccc(cc1)F 271570a_100015277604_100000211213 [2,0,0,0,0,0|1,0,1]=4 1120 B10R1.1 C=C=Cc1ccc(cc1)N 271570a_100015277604_100000185761 [2,0,0,0,0,0|1,0,1]=4 1121 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [2,0,0,0,0,0|0,0,1]=3 1122 B10R1.1 C=C=Cc1ccc(cn1)C 271570a_100015277604_100000754016 [2,0,0,0,0,0|1,0,1]=4 1123 B10R1.1 C=C=Cc1ccc(cn1)O 271570a_100015277604_100000685995 [2,0,0,0,0,0|1,0,1]=4 1124 B10R1.1 C=C=Cc1ccc(nc1)C 271570a_100015277604_100000751577 [2,0,0,0,0,0|1,0,1]=4 1125 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [2,0,0,0,0,0|1,0,1]=4 1126 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [2,0,0,0,0,0|0,0,1]=3 1127 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [2,0,0,0,0,0|1,0,1]=4 1128 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [2,0,0,0,0,0|1,0,1]=4 1129 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [2,0,0,0,0,0|1,0,1]=4 1130 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [2,0,0,0,0,0|0,0,1]=3 1131 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [2,0,0,0,0,0|1,0,1]=4 1132 B10R1.1 CC=Cc1ccc(cn1)O 271570a_100016259895_100000685995 [2,0,0,0,0,0|1,0,1]=4 1133 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [2,0,0,0,0,0|1,0,1]=4 1134 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [2,0,0,0,0,0|0,0,1]=3 1135 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [2,0,0,0,0,0|1,0,0]=3 1136 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,1]=4 1137 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,1]=4 1138 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,1]=4 1139 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,1]=4 1140 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,1]=4 1141 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [2,0,0,0,0,0|2,0,0]=4 1142 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [2,0,0,0,0,0|1,0,1]=4 1143 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [2,0,0,0,0,0|1,0,0]=3 1144 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [2,0,0,0,0,0|2,0,0]=4 1145 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [2,0,0,0,0,0|2,0,0]=4 1146 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [2,0,0,0,0,0|2,0,0]=4 1147 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [2,0,0,0,0,0|1,0,0]=3 1148 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [2,0,0,0,0,0|1,0,0]=3 1149 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [2,0,0,0,0,0|2,0,0]=4 1150 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [2,0,0,0,0,0|1,0,0]=3 1151 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [2,0,0,0,0,0|0,0,0]=2 1152 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [2,0,0,0,0,0|0,0,0]=2 1153 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [2,0,0,0,0,0|0,0,0]=2 1154 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [2,0,0,0,0,0|0,0,0]=2 1155 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [2,0,0,0,0,0|0,0,0]=2 1156 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [2,0,0,0,0,0|0,1,0]=3 1157 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [2,0,0,0,0,0|0,1,0]=3 1158 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [2,0,0,0,0,0|0,1,0]=3 1159 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [2,0,0,0,0,0|0,1,0]=3 1160 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [2,0,0,0,0,0|0,1,0]=3 1161 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [2,0,0,0,0,0|2,0,0]=4 1162 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [2,0,0,0,0,0|2,0,0]=4 1163 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [2,0,0,0,0,0|1,0,0]=3 1164 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [2,0,0,0,0,0|1,1,0]=4 1165 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [2,0,0,0,0,0|2,0,0]=4 1166 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [2,0,0,0,0,0|2,0,0]=4 1167 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [2,0,0,0,0,0|1,0,0]=3 1168 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [2,0,0,0,0,0|1,1,0]=4 1169 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [2,0,0,0,0,0|1,1,0]=4 1170 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [2,0,0,0,0,0|1,1,0]=4 1171 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [2,0,0,0,0,0|1,1,0]=4 1172 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [2,0,0,0,0,0|1,1,0]=4 1173 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [2,0,0,0,0,0|2,0,0]=4 1174 B10R1.3 C=Cc1cnc(cn1)OC 271570a_100011290941_100011998698 [2,0,0,0,0,0|2,0,0]=4 1175 B10R1.3 C=Cc1cnc(nc1)OC 271570a_100011290941_100000686852 [2,0,0,0,0,0|2,0,0]=4 1176 B10R1.3 C=Cc1ncc(cn1)OC 271570a_100011290941_100000069167 [2,0,0,0,0,0|2,0,0]=4 1177 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [2,0,0,0,0,0|0,0,2]=4 1178 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [2,0,0,0,0,0|0,0,2]=4 1179 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [2,0,0,0,0,0|0,0,2]=4 1180 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [2,0,0,0,0,0|0,0,2]=4 1181 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [2,0,0,0,0,0|1,0,1]=4 1182 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [2,0,0,0,0,0|1,0,1]=4 1183 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [2,0,0,0,0,0|1,0,1]=4 1184 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 1185 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [2,0,0,0,0,0|1,0,1]=4 1186 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [2,0,0,0,0,0|1,0,1]=4 1187 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [2,0,0,0,0,0|0,0,2]=4 1188 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [2,0,0,0,0,0|1,0,1]=4 1189 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [2,0,0,0,0,0|1,0,1]=4 1190 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [2,0,0,0,0,0|1,0,1]=4 1191 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [2,0,0,0,0,0|1,0,1]=4 1192 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [2,0,0,0,0,0|1,0,1]=4 1193 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [2,0,0,0,0,0|1,0,1]=4 1194 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [2,0,0,0,0,0|0,1,0]=3 1195 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [2,0,0,0,0,0|0,1,0]=3 1196 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [2,0,0,0,0,0|1,0,1]=4 1197 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [2,0,0,0,0,0|1,1,0]=4 1198 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [2,0,0,0,0,0|1,1,0]=4 1199 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [2,0,0,0,0,0|1,1,0]=4 1200 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [2,0,0,0,0,0|1,1,0]=4 1201 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 1202 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [2,0,0,0,0,0|1,0,1]=4 1203 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [2,0,0,0,0,0|1,0,1]=4 1204 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [2,0,0,0,0,0|0,0,2]=4 1205 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [2,0,0,0,0,0|0,1,0]=3 1206 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [2,0,0,0,0,0|0,1,0]=3 1207 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [2,0,0,0,0,0|1,1,0]=4 1208 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [2,0,0,0,0,0|1,1,0]=4 1209 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [2,0,0,0,0,0|1,1,0]=4 1210 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [2,0,0,0,0,0|1,1,0]=4 1211 B12R1.1 C/C=C/CNc1ccc(cc1)C 34a_100000124888_100102629194 [1,1,0,0,0,0|1,0,1]=4 1212 B12R1.1 C/C=C/CNc1ccc(cc1)O 34a_100000185829_100102629194 [1,1,0,0,0,0|1,0,1]=4 1213 B12R1.1 C/C=C/COc1ccc(cc1)C 34a_100000210336_100102629194 [1,1,0,0,0,0|1,0,1]=4 1214 B12R1.1 C/C=C/COc1ccc(cc1)C 7a_100000210336_100102629194 [1,1,0,0,0,0|1,0,1]=4 1215 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100000186775_100102629194 [1,1,0,0,0,0|1,0,1]=4 1216 B12R1.1 C/C=C/CSc1ccc(cc1)C 62a_100102629194_100000186775 [1,1,0,0,0,0|1,0,1]=4 1217 B12R1.1 C/C=C/CSc1ccc(cc1)O 62a_100102629194_100000185759 [1,1,0,0,0,0|1,0,1]=4 1218 B12R1.1 CC=CCNc1ccc(cc1)C 34a_100000124888_100000070051 [1,1,0,0,0,0|1,0,1]=4 1219 B12R1.1 CC=CCNc1ccc(cc1)O 34a_100000185829_100000070051 [1,1,0,0,0,0|1,0,1]=4 1220 B12R1.1 CC=CCOc1ccc(cc1)C 34a_100000210336_100000070051 [1,1,0,0,0,0|1,0,1]=4 1221 B12R1.1 CC=CCOc1ccc(cc1)C 7a_100000210336_100000070051 [1,1,0,0,0,0|1,0,1]=4 1222 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000070051_100000186775 [1,1,0,0,0,0|1,0,1]=4 1223 B12R1.1 CC=CCSc1ccc(cc1)C 62a_100000186775_100000070051 [1,1,0,0,0,0|1,0,1]=4 1224 B12R1.1 CC=CCSc1ccc(cc1)O 62a_100000070051_100000185759 [1,1,0,0,0,0|1,0,1]=4 1225 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [1,1,0,0,0,0|1,0,1]=4 1226 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,1,0,0,0,0|1,0,1]=4 1227 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [1,1,0,0,0,0|1,0,1]=4 1228 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [1,1,0,0,0,0|1,0,1]=4 1229 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [1,1,0,0,0,0|1,0,1]=4 1230 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [1,1,0,0,0,0|0,0,2]=4 1231 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [1,1,0,0,0,0|0,0,2]=4 1232 B12R1.1 Cc1ccc(cc1)CNCC=O 2230a_100000174908_200015260668 [1,1,0,0,0,0|0,0,2]=4 1233 B12R1.1 Cc1ccc(cc1)CNCC=O 34a_100000174908_200009817547 [1,1,0,0,0,0|0,0,2]=4 1234 B12R1.1 Cc1ccc(cc1)COCC=O 34a_100011215236_200009817547 [1,1,0,0,0,0|0,0,2]=4 1235 B12R1.1 Cc1ccc(cc1)COCC=O 7a_100011215236_200015260668 [1,1,0,0,0,0|0,0,2]=4 1236 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_100000210814_200015260668 [1,1,0,0,0,0|0,0,2]=4 1237 B12R1.1 Cc1ccc(cc1)CSCC=O 62a_200015260668_100000210814 [1,1,0,0,0,0|0,0,2]=4 1238 B12R1.1 O=CCNCc1ccc(cc1)O 34a_100000185549_200009817547 [1,1,0,0,0,0|0,0,2]=4 1239 B12R1.1 O=CNCCc1ccc(cc1)O 271570a_203496583355_200012351260 [1,1,0,0,0,0|0,0,2]=4 1240 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [1,1,0,0,0,0|1,0,1]=4 1241 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [1,1,0,0,0,0|1,0,1]=4 1242 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [1,1,0,0,0,0|1,0,1]=4 1243 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [1,1,0,0,0,0|1,0,1]=4 1244 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [1,1,0,0,0,0|1,0,1]=4 1245 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [1,1,0,0,0,0|1,0,1]=4 1246 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [1,1,0,0,0,0|1,0,1]=4 1247 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,1,0,0,0,0|0,0,0]=2 1248 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,1,0,0,0,0|1,0,0]=3 1249 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,1,0,0,0,0|0,0,0]=2 1250 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,1,0,0,0,0|1,0,0]=3 1251 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,1,0,0,0,0|1,0,0]=3 1252 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,1,0,0,0,0|1,0,0]=3 1253 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,1,0,0,0,0|0,0,2]=4 1256 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,1,0,0,0,0|0,0,2]=4 1257 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,1,0,0,0,0|0,0,2]=4 1258 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,1,0,0,0,0|0,0,2]=4 1259 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,1,0,0,0,0|0,0,2]=4 1260 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,1,0,0,0,0|1,0,1]=4 1261 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,1,0,0,0,0|1,0,1]=4 1262 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,1,0,0,0,0|1,0,1]=4 1263 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 1264 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 1265 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 1266 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,1,0,0,0,0|1,0,1]=4 1267 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,1,0,0,0,0|1,0,1]=4 1268 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,1,0,0,0,0|1,0,1]=4 1269 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,1,0,0,0,0|1,0,1]=4 1270 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,1,0,0,0,0|2,0,0]=4 1272 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [1,1,0,0,0,0|1,0,1]=4 1273 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [1,1,0,0,0,0|0,0,2]=4 1274 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,1,0,0,0,0|0,0,0]=2 1275 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [1,1,0,0,0,0|1,0,1]=4 1276 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [1,1,0,0,0,0|0,0,2]=4 1277 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,1,0,0,0,0|0,0,2]=4 1278 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [1,1,0,0,0,0|1,0,1]=4 1279 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [1,1,0,0,0,0|1,0,1]=4 1280 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [1,1,0,0,0,0|1,0,1]=4 1281 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [1,1,0,0,0,0|1,0,1]=4 1282 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,1,0,0,0,0|1,0,1]=4 1283 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [1,1,0,0,0,0|1,0,1]=4 1284 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [1,1,0,0,0,0|1,0,1]=4 1285 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [1,1,0,0,0,0|1,0,1]=4 1286 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,1,0,0,0,0|1,0,1]=4 1287 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [1,1,0,0,0,0|1,0,1]=4 1288 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [1,1,0,0,0,0|1,0,1]=4 1289 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [1,1,0,0,0,0|0,0,2]=4 1290 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [1,1,0,0,0,0|1,0,1]=4 1291 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [1,1,0,0,0,0|1,0,1]=4 1292 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [1,1,0,0,0,0|1,0,1]=4 1293 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [1,1,0,0,0,0|1,0,1]=4 1294 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [1,1,0,0,0,0|1,0,1]=4 1295 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,1,0,0,0,0|1,0,0]=3 1296 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,1,0,0,0,0|1,0,0]=3 1297 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,1,0,0,0,0|1,0,0]=3 1298 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,1,0,0,0,0|1,0,0]=3 1299 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [1,1,0,0,0,0|2,0,0]=4 1300 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [1,1,0,0,0,0|2,0,0]=4 1301 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,1,0,0,0,0|0,0,2]=4 1302 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,1,0,0,0,0|1,0,1]=4 1303 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [1,1,0,0,0,0|1,0,1]=4 1304 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [1,1,0,0,0,0|2,0,0]=4 1305 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [1,1,0,0,0,0|2,0,0]=4 1306 B12R1.49 C=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000185746 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.69 Cc1cc(ccc1NCC=O)O 34a_100000756630_200009817547 [1,1,0,0,0,0|1,0,1]=4 1308 B12R1.69 Cc1cc(ccc1SCC=O)O 62a_200015260668_100000690111 [1,1,0,0,0,0|1,0,1]=4 1309 B12R1.69 Cc1ccc(c(c1)Br)NCC=O 34a_100000210942_200009817547 [1,1,0,0,0,0|1,0,1]=4 1310 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 34a_100000210800_200009817547 [1,1,0,0,0,0|1,0,1]=4 1311 B12R1.69 Cc1ccc(c(c1)Br)OCC=O 7a_100000210800_200015260668 [1,1,0,0,0,0|1,0,1]=4 1312 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_100009813563_200015260668 [1,1,0,0,0,0|1,0,1]=4 1313 B12R1.69 Cc1ccc(c(c1)Br)SCC=O 62a_200015260668_100009813563 [1,1,0,0,0,0|1,0,1]=4 1314 B12R1.69 Cc1ccc(c(c1)C)NCC=O 34a_100000736561_200009817547 [1,1,0,0,0,0|1,0,1]=4 1315 B12R1.69 Cc1ccc(c(c1)C)NCC=O 7a_100000736561_200015260668 [1,1,0,0,0,0|1,0,1]=4 1316 B12R1.69 Cc1ccc(c(c1)C)OCC=O 34a_100000211776_200009817547 [1,1,0,0,0,0|1,0,1]=4 1317 B12R1.69 Cc1ccc(c(c1)C)OCC=O 7a_100000211776_200015260668 [1,1,0,0,0,0|1,0,1]=4 1318 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_100011217332_200015260668 [1,1,0,0,0,0|1,0,1]=4 1319 B12R1.69 Cc1ccc(c(c1)C)SCC=O 62a_200015260668_100011217332 [1,1,0,0,0,0|1,0,1]=4 1320 B12R1.69 Cc1ccc(c(c1)Cl)NCC=O 34a_100000210522_200009817547 [1,1,0,0,0,0|1,0,1]=4 1321 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 34a_100000749699_200009817547 [1,1,0,0,0,0|1,0,1]=4 1322 B12R1.69 Cc1ccc(c(c1)Cl)OCC=O 7a_100000749699_200015260668 [1,1,0,0,0,0|1,0,1]=4 1323 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_100011263221_200015260668 [1,1,0,0,0,0|1,0,1]=4 1324 B12R1.69 Cc1ccc(c(c1)Cl)SCC=O 62a_200015260668_100011263221 [1,1,0,0,0,0|1,0,1]=4 1325 B12R1.69 Cc1ccc(c(c1)F)NCC=O 34a_100000211023_200009817547 [1,1,0,0,0,0|1,0,1]=4 1326 B12R1.69 Cc1ccc(c(c1)F)OCC=O 34a_100011216688_200009817547 [1,1,0,0,0,0|1,0,1]=4 1327 B12R1.69 Cc1ccc(c(c1)F)OCC=O 7a_100011216688_200015260668 [1,1,0,0,0,0|1,0,1]=4 1328 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_100011216119_200015260668 [1,1,0,0,0,0|1,0,1]=4 1329 B12R1.69 Cc1ccc(c(c1)F)SCC=O 62a_200015260668_100011216119 [1,1,0,0,0,0|1,0,1]=4 1330 B12R1.69 Cc1ccc(c(c1)I)NCC=O 34a_100011356834_200009817547 [1,1,0,0,0,0|1,0,1]=4 1331 B12R1.69 Cc1ccc(c(c1)I)OCC=O 34a_100000765521_200009817547 [1,1,0,0,0,0|1,0,1]=4 1332 B12R1.69 Cc1ccc(c(c1)I)OCC=O 7a_100000765521_200015260668 [1,1,0,0,0,0|1,0,1]=4 1333 B12R1.69 Cc1ccc(c(c1)N)OCC=O 34a_100011215204_200009817547 [1,1,0,0,0,0|1,0,1]=4 1334 B12R1.69 Cc1ccc(c(c1)N)OCC=O 7a_100011215204_200015260668 [1,1,0,0,0,0|1,0,1]=4 1335 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_100011216686_200015260668 [1,1,0,0,0,0|1,0,1]=4 1336 B12R1.69 Cc1ccc(c(c1)N)SCC=O 62a_200015260668_100011216686 [1,1,0,0,0,0|1,0,1]=4 1337 B12R1.69 Cc1ccc(c(c1)O)NCC=O 34a_100000211527_200009817547 [1,1,0,0,0,0|1,0,1]=4 1338 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_100012002257_200015260668 [1,1,0,0,0,0|1,0,1]=4 1339 B12R1.69 Cc1ccc(c(c1)O)SCC=O 62a_200015260668_100012002257 [1,1,0,0,0,0|1,0,1]=4 1340 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_100011999798_200015260668 [1,1,0,0,0,0|1,0,1]=4 1341 B12R1.69 Nc1cc(ccc1SCC=O)O 62a_200015260668_100011999798 [1,1,0,0,0,0|1,0,1]=4 1342 B12R1.69 O=CCNc1ccc(cc1Br)O 34a_100012001276_200009817547 [1,1,0,0,0,0|1,0,1]=4 1343 B12R1.69 O=CCNc1ccc(cc1Cl)O 34a_100011215599_200009817547 [1,1,0,0,0,0|1,0,1]=4 1344 B12R1.69 O=CCNc1ccc(cc1F)O 34a_100000759473_200009817547 [1,1,0,0,0,0|1,0,1]=4 1345 B12R1.69 O=CCNc1ccc(cc1I)O 34a_100010084370_200009817547 [1,1,0,0,0,0|1,0,1]=4 1346 B12R1.69 O=CCNc1ccc(cc1O)O 34a_100000106777_200009817547 [1,1,0,0,0,0|1,0,1]=4 1347 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_100000701344_200015260668 [1,1,0,0,0,0|1,0,1]=4 1348 B12R1.69 O=CCSc1ccc(cc1Br)O 62a_200015260668_100000701344 [1,1,0,0,0,0|1,0,1]=4 1349 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_100000047559_200015260668 [1,1,0,0,0,0|1,0,1]=4 1350 B12R1.69 O=CCSc1ccc(cc1Cl)O 62a_200015260668_100000047559 [1,1,0,0,0,0|1,0,1]=4 1351 B12R1.69 O=CCSc1ccc(cc1F)O 62a_100000755031_200015260668 [1,1,0,0,0,0|1,0,1]=4 1352 B12R1.69 O=CCSc1ccc(cc1F)O 62a_200015260668_100000755031 [1,1,0,0,0,0|1,0,1]=4 1353 B12R1.69 O=CCSc1ccc(cc1O)O 62a_200015260668_100009813921 [1,1,0,0,0,0|1,0,1]=4 1354 B12R1.385 Cc1cc(ccc1O)NCC=O 34a_100011218179_200009817547 [1,1,0,0,0,0|1,0,1]=4 1355 B12R1.385 Cc1cc(ccc1O)NCC=O 7a_100011218179_200015260668 [1,1,0,0,0,0|1,0,1]=4 1356 B12R1.385 Cc1cc(ccc1O)SCC=O 62a_200015260668_100000186361 [1,1,0,0,0,0|1,0,1]=4 1357 B12R1.385 Cc1ccc(cc1Br)NCC=O 2230a_100000736455_200015260668 [1,1,0,0,0,0|1,0,1]=4 1358 B12R1.385 Cc1ccc(cc1Br)NCC=O 34a_100000736455_200009817547 [1,1,0,0,0,0|1,0,1]=4 1359 B12R1.385 Cc1ccc(cc1Br)NCC=O 7a_100000736455_200015260668 [1,1,0,0,0,0|1,0,1]=4 1360 B12R1.385 Cc1ccc(cc1Br)OCC=O 34a_100011380479_200009817547 [1,1,0,0,0,0|1,0,1]=4 1361 B12R1.385 Cc1ccc(cc1Br)OCC=O 7a_100011380479_200015260668 [1,1,0,0,0,0|1,0,1]=4 1362 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_100011847877_200015260668 [1,1,0,0,0,0|1,0,1]=4 1363 B12R1.385 Cc1ccc(cc1Br)SCC=O 62a_200015260668_100011847877 [1,1,0,0,0,0|1,0,1]=4 1364 B12R1.385 Cc1ccc(cc1C)NCC=O 2230a_100000724040_200015260668 [1,1,0,0,0,0|1,0,1]=4 1365 B12R1.385 Cc1ccc(cc1C)NCC=O 34a_100000724040_200009817547 [1,1,0,0,0,0|1,0,1]=4 1366 B12R1.385 Cc1ccc(cc1C)NCC=O 7a_100000724040_200015260668 [1,1,0,0,0,0|1,0,1]=4 1367 B12R1.385 Cc1ccc(cc1C)OCC=O 34a_100000210932_200009817547 [1,1,0,0,0,0|1,0,1]=4 1368 B12R1.385 Cc1ccc(cc1C)OCC=O 7a_100000210932_200015260668 [1,1,0,0,0,0|1,0,1]=4 1369 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_100011215607_200015260668 [1,1,0,0,0,0|1,0,1]=4 1370 B12R1.385 Cc1ccc(cc1C)SCC=O 62a_200015260668_100011215607 [1,1,0,0,0,0|1,0,1]=4 1371 B12R1.385 Cc1ccc(cc1Cl)NCC=O 2230a_100000188892_200015260668 [1,1,0,0,0,0|1,0,1]=4 1372 B12R1.385 Cc1ccc(cc1Cl)NCC=O 34a_100000188892_200009817547 [1,1,0,0,0,0|1,0,1]=4 1373 B12R1.385 Cc1ccc(cc1Cl)NCC=O 7a_100000188892_200015260668 [1,1,0,0,0,0|1,0,1]=4 1374 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [1,1,0,0,0,0|1,0,1]=4 1375 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [1,1,0,0,0,0|1,0,1]=4 1376 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_100011216363_200015260668 [1,1,0,0,0,0|1,0,1]=4 1377 B12R1.385 Cc1ccc(cc1Cl)SCC=O 62a_200015260668_100011216363 [1,1,0,0,0,0|1,0,1]=4 1378 B12R1.385 Cc1ccc(cc1F)NCC=O 2230a_100000210958_200015260668 [1,1,0,0,0,0|1,0,1]=4 1379 B12R1.385 Cc1ccc(cc1F)NCC=O 34a_100000210958_200009817547 [1,1,0,0,0,0|1,0,1]=4 1380 B12R1.385 Cc1ccc(cc1F)NCC=O 7a_100000210958_200015260668 [1,1,0,0,0,0|1,0,1]=4 1381 B12R1.385 Cc1ccc(cc1F)OCC=O 34a_100000722560_200009817547 [1,1,0,0,0,0|1,0,1]=4 1382 B12R1.385 Cc1ccc(cc1F)OCC=O 7a_100000722560_200015260668 [1,1,0,0,0,0|1,0,1]=4 1383 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_100000720648_200015260668 [1,1,0,0,0,0|1,0,1]=4 1384 B12R1.385 Cc1ccc(cc1F)SCC=O 62a_200015260668_100000720648 [1,1,0,0,0,0|1,0,1]=4 1385 B12R1.385 Cc1ccc(cc1I)NCC=O 34a_100000184131_200009817547 [1,1,0,0,0,0|1,0,1]=4 1386 B12R1.385 Cc1ccc(cc1I)NCC=O 7a_100000184131_200015260668 [1,1,0,0,0,0|1,0,1]=4 1387 B12R1.385 Cc1ccc(cc1N)OCC=O 34a_100011216113_200009817547 [1,1,0,0,0,0|1,0,1]=4 1388 B12R1.385 Cc1ccc(cc1N)OCC=O 7a_100011216113_200015260668 [1,1,0,0,0,0|1,0,1]=4 1389 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_100000761890_200015260668 [1,1,0,0,0,0|1,0,1]=4 1390 B12R1.385 Cc1ccc(cc1N)SCC=O 62a_200015260668_100000761890 [1,1,0,0,0,0|1,0,1]=4 1391 B12R1.385 Cc1ccc(cc1O)NCC=O 34a_100000759471_200009817547 [1,1,0,0,0,0|1,0,1]=4 1392 B12R1.385 Cc1ccc(cc1O)NCC=O 7a_100000759471_200015260668 [1,1,0,0,0,0|1,0,1]=4 1393 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_100000685420_200015260668 [1,1,0,0,0,0|1,0,1]=4 1394 B12R1.385 Cc1ccc(cc1O)SCC=O 62a_200015260668_100000685420 [1,1,0,0,0,0|1,0,1]=4 1395 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_100000752626_200015260668 [1,1,0,0,0,0|1,0,1]=4 1396 B12R1.385 Nc1cc(ccc1O)SCC=O 62a_200015260668_100000752626 [1,1,0,0,0,0|1,0,1]=4 1397 B12R1.385 O=CCNc1ccc(c(c1)Br)O 34a_100011534360_200009817547 [1,1,0,0,0,0|1,0,1]=4 1398 B12R1.385 O=CCNc1ccc(c(c1)Cl)O 34a_100000744943_200009817547 [1,1,0,0,0,0|1,0,1]=4 1399 B12R1.385 O=CCNc1ccc(c(c1)F)O 34a_100011220035_200009817547 [1,1,0,0,0,0|1,0,1]=4 1400 B12R1.385 O=CCNc1ccc(c(c1)F)O 7a_100011220035_200015260668 [1,1,0,0,0,0|1,0,1]=4 1401 B12R1.385 O=CCNc1ccc(c(c1)O)O 34a_100102946323_200009817547 [1,1,0,0,0,0|1,0,1]=4 1402 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_100012361655_200015260668 [1,1,0,0,0,0|1,0,1]=4 1403 B12R1.385 O=CCSc1ccc(c(c1)Br)O 62a_200015260668_100012361655 [1,1,0,0,0,0|1,0,1]=4 1404 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_100012360047_200015260668 [1,1,0,0,0,0|1,0,1]=4 1405 B12R1.385 O=CCSc1ccc(c(c1)Cl)O 62a_200015260668_100012360047 [1,1,0,0,0,0|1,0,1]=4 1406 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_100000185481_200015260668 [1,1,0,0,0,0|1,0,1]=4 1407 B12R1.385 O=CCSc1ccc(c(c1)F)O 62a_200015260668_100000185481 [1,1,0,0,0,0|1,0,1]=4 1408 B12R1.385 O=CCSc1ccc(c(c1)O)O 62a_200015260668_100009813601 [1,1,0,0,0,0|1,0,1]=4 1409 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [1,1,0,0,0,0|0,0,1]=3 1410 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [1,1,0,0,0,0|0,0,1]=3 1411 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [1,1,0,0,0,0|0,1,1]=4 1412 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [1,1,0,0,0,0|0,1,1]=4 1413 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [1,1,0,0,0,0|2,0,0]=4 1414 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [1,1,0,0,0,0|1,0,0]=3 1415 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [1,1,0,0,0,0|1,0,0]=3 1416 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [1,1,0,0,0,0|1,1,0]=4 1417 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [1,1,0,0,0,0|2,0,0]=4 1418 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [1,1,0,0,0,0|2,0,0]=4 1419 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [1,1,0,0,0,0|1,1,0]=4 1420 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [1,1,0,0,0,0|1,1,0]=4 1421 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [1,1,0,0,0,0|1,0,1]=4 1422 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [1,1,0,0,0,0|1,0,1]=4 1423 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [1,1,0,0,0,0|1,0,1]=4 1424 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [1,1,0,0,0,0|1,0,1]=4 1425 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [1,1,0,0,0,0|2,0,0]=4 1426 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [1,1,0,0,0,0|2,0,0]=4 1427 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [1,1,0,0,0,0|2,0,0]=4 1428 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [1,1,0,0,0,0|2,0,0]=4 1429 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [1,1,0,0,0,0|1,0,1]=4 1430 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [1,1,0,0,0,0|1,0,1]=4 1431 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [1,1,0,0,0,0|1,0,1]=4 1432 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [1,1,0,0,0,0|2,0,0]=4 1433 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [1,1,0,0,0,0|0,0,1]=3 1434 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [1,1,0,0,0,0|0,0,1]=3 1435 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [1,1,0,0,0,0|0,0,1]=3 1436 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [1,1,0,0,0,0|0,0,1]=3 1437 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [1,1,0,0,0,0|0,0,1]=3 1438 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [1,1,0,0,0,0|0,0,1]=3 1439 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [1,1,0,0,0,0|1,0,0]=3 1440 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [1,1,0,0,0,0|1,0,0]=3 1441 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [1,1,0,0,0,0|1,0,0]=3 1442 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [1,1,0,0,0,0|1,0,0]=3 1443 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [1,1,0,0,0,0|1,0,0]=3 1444 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [1,1,0,0,0,0|1,0,0]=3 1445 B12R1.4 COc1ccc(cn1)C=C(C)C 271570a_100102525489_100000047065 [1,1,0,0,0,0|1,0,1]=4 1446 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [1,1,0,0,0,0|1,0,1]=4 1447 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [1,1,0,0,0,0|1,0,1]=4 1448 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [1,1,0,0,0,0|1,0,1]=4 1449 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [1,1,0,0,0,0|1,0,1]=4 1450 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [1,1,0,0,0,0|1,0,1]=4 1451 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [1,1,0,0,0,0|1,0,1]=4 1452 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [1,1,0,0,0,0|1,0,1]=4 1453 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [1,1,0,0,0,0|2,0,0]=4 1454 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [1,1,0,0,0,0|2,0,0]=4 1455 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200000210301_200013992848 [1,1,0,0,0,0|1,1,0]=4 1456 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200013992848_200000210301 [1,1,0,0,0,0|1,1,0]=4 1457 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [1,1,0,0,0,0|0,1,1]=4 1458 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200000210301_200009816947 [1,1,0,0,0,0|1,1,0]=4 1459 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200009816947_200000210301 [1,1,0,0,0,0|1,1,0]=4 1460 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [1,1,0,0,0,0|0,1,1]=4 1461 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [1,1,0,0,0,0|0,1,1]=4 1462 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [1,1,0,0,0,0|0,1,1]=4 1463 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [1,1,0,0,0,0|0,1,1]=4 1464 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [1,1,0,0,0,0|0,1,1]=4 1465 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [1,1,0,0,0,0|0,1,1]=4 1466 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [1,1,0,0,0,0|0,1,1]=4 1467 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [1,1,0,0,0,0|1,1,0]=4 1468 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [1,1,0,0,0,0|1,1,0]=4 1469 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [1,1,0,0,0,0|1,1,0]=4 1470 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [1,1,0,0,0,0|1,1,0]=4 1471 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [1,1,0,0,0,0|1,1,0]=4 1472 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [1,1,0,0,0,0|1,1,0]=4 1473 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [1,1,0,0,0,0|1,1,0]=4 1474 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [1,1,0,0,0,0|1,0,1]=4 1475 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [1,1,0,0,0,0|1,0,1]=4 1476 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [1,1,0,0,0,0|0,0,1]=3 1477 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200013992848_200025704644 [1,1,0,0,0,0|1,1,0]=4 1478 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200025704644_200013992848 [1,1,0,0,0,0|1,1,0]=4 1479 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200009816947_200025704644 [1,1,0,0,0,0|1,1,0]=4 1480 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200025704644_200009816947 [1,1,0,0,0,0|1,1,0]=4 1481 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [1,1,0,0,0,0|0,1,1]=4 1482 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [1,1,0,0,0,0|0,1,1]=4 1483 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [1,1,0,0,0,0|1,1,0]=4 1484 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [1,1,0,0,0,0|1,0,1]=4 1485 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [1,1,0,0,0,0|1,0,1]=4 1486 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [1,1,0,0,0,0|0,0,2]=4 1487 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [1,1,0,0,0,0|0,0,2]=4 1488 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [1,1,0,0,0,0|0,0,2]=4 1489 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [1,1,0,0,0,0|0,0,2]=4 1490 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [1,1,0,0,0,0|0,0,2]=4 1491 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [1,1,0,0,0,0|1,0,1]=4 1492 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [1,1,0,0,0,0|1,0,1]=4 1493 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [1,1,0,0,0,0|1,0,1]=4 1494 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [1,1,0,0,0,0|1,0,1]=4 1495 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [1,1,0,0,0,0|1,0,1]=4 1496 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [1,1,0,0,0,0|1,0,1]=4 1497 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [1,1,0,0,0,0|1,0,1]=4 1498 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [1,1,0,0,0,0|1,0,1]=4 1499 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [1,1,0,0,0,0|1,0,1]=4 1500 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [1,1,0,0,0,0|1,0,1]=4 1501 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [1,1,0,0,0,0|1,0,1]=4 1502 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [1,1,0,0,0,0|1,0,1]=4 1503 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [1,1,0,0,0,0|1,0,1]=4 1504 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [1,1,0,0,0,0|1,0,1]=4 1505 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [1,1,0,0,0,0|1,0,1]=4 1506 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [1,1,0,0,0,0|1,0,1]=4 1507 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [1,1,0,0,0,0|1,0,1]=4 1508 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [1,1,0,0,0,0|1,0,1]=4 1509 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [1,1,0,0,0,0|1,0,1]=4 1510 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [1,1,0,0,0,0|2,0,0]=4 1511 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [1,1,0,0,0,0|0,1,0]=3 1512 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [1,1,0,0,0,0|0,1,0]=3 1513 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [1,1,0,0,0,0|1,0,1]=4 1514 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [1,1,0,0,0,0|1,0,1]=4 1515 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [1,1,0,0,0,0|1,0,1]=4 1516 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [1,1,0,0,0,0|1,0,1]=4 1517 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [1,1,0,0,0,0|1,0,1]=4 1518 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [1,1,0,0,0,0|2,0,0]=4 1519 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [1,1,0,0,0,0|0,1,0]=3 1520 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [1,1,0,0,0,0|0,1,0]=3 1521 B12R1.113 C=C(C)c1ccc(cc1)/C=C/Br 271570a_100000694244_200016255901 [1,1,0,0,0,0|2,0,0]=4 1522 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [1,1,0,0,0,0|1,0,1]=4 1523 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [1,1,0,0,0,0|1,0,1]=4 1524 B12R1.113 C=C(C)c1ccc(cc1)CC=O 271570a_100000694244_100011361690 [1,1,0,0,0,0|1,0,1]=4 1525 B12R1.113 C=C=Cc1ccc(cc1)C(=C)C 271570a_100015277604_100000185454 [1,1,0,0,0,0|1,0,1]=4 1526 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [1,1,0,0,0,0|1,0,1]=4 1527 B12R1.113 C=C=Cc1ccc(cc1)C(C)C 271570a_100015277604_100000750031 [1,1,0,0,0,0|1,0,1]=4 1528 B12R1.113 C=C=Cc1ccc(cc1)C(C)O 271570a_100015277604_100000745893 [1,1,0,0,0,0|1,0,1]=4 1529 B12R1.113 C=C=Cc1ccc(cc1)N(C)C 271570a_100015277604_100000210421 [1,1,0,0,0,0|1,0,1]=4 1530 B12R1.113 C=C=Cc1ccc(cc1)S(=O)C 271570a_100015277604_100009816266 [1,1,0,0,0,0|0,1,1]=4 1531 B12R1.113 C=C=Cc1ccc(cc1)[C@@H](C)N 271570a_100015277604_100000720352 [1,1,0,0,0,0|1,0,1]=4 1532 B12R1.113 C=C=Cc1ccc(cc1)[C@H](C)N 271570a_100015277604_100000753911 [1,1,0,0,0,0|1,0,1]=4 1533 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [1,1,0,0,0,0|1,0,1]=4 1534 B12R1.113 CC=Cc1ccc(cc1)C(C)C 271570a_100016259895_100000750031 [1,1,0,0,0,0|1,0,1]=4 1535 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [1,1,0,0,0,0|1,0,1]=4 1536 B12R1.113 CC=Cc1ccc(cc1)N(C)C 271570a_100016259895_100000210421 [1,1,0,0,0,0|1,0,1]=4 1537 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [1,1,0,0,0,0|0,1,1]=4 1538 B12R1.113 CC=Cc1ccc(cc1)[C@@H](C)N 271570a_100016259895_100000720352 [1,1,0,0,0,0|1,0,1]=4 1539 B12R1.113 CC=Cc1ccc(cc1)[C@H](C)N 271570a_100016259895_100000753911 [1,1,0,0,0,0|1,0,1]=4 1540 B12R1.114 C=C=Cc1ccc(cc1Br)CC 271570a_100015277604_200009997437 [1,1,0,0,0,0|1,0,1]=4 1541 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [1,1,0,0,0,0|0,0,1]=3 1542 B12R1.114 C=C=Cc1ccc(cc1C)NC 271570a_100015277604_100102888905 [1,1,0,0,0,0|1,0,1]=4 1543 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [1,1,0,0,0,0|0,0,1]=3 1544 B12R1.114 C=C=Cc1ccc(cc1F)CC 271570a_100015277604_200010339503 [1,1,0,0,0,0|1,0,1]=4 1545 B12R1.114 C=C=Cc1ccc(cc1F)NC 271570a_100015277604_100012285320 [1,1,0,0,0,0|1,0,1]=4 1546 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [1,1,0,0,0,0|0,0,1]=3 1547 B12R1.114 C=C=Cc1ccc(cc1F)SC 271570a_100015277604_100009816902 [1,1,0,0,0,0|0,1,1]=4 1548 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [1,1,0,0,0,0|0,0,1]=3 1549 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [1,1,0,0,0,0|0,0,1]=3 1550 B12R1.114 C=C=Cc1ccc(nc1C)OC 271570a_100015277604_100000766551 [1,1,0,0,0,0|1,0,1]=4 1551 B12R1.114 C=C=Cc1ccc(nc1F)OC 271570a_100015277604_100010067559 [1,1,0,0,0,0|1,0,1]=4 1552 B12R1.114 C=C=Cc1ccc(nc1N)OC 271570a_100015277604_100010187629 [1,1,0,0,0,0|1,0,1]=4 1553 B12R1.114 C=C=Cc1cnc(cc1C)OC 271570a_100015277604_100011934368 [1,1,0,0,0,0|1,0,1]=4 1554 B12R1.114 C=C=Cc1cnc(cc1F)OC 271570a_100015277604_100010136277 [1,1,0,0,0,0|1,0,1]=4 1555 B12R1.114 C=C=Cc1cnc(cc1N)OC 271570a_100015277604_100010254562 [1,1,0,0,0,0|1,0,1]=4 1556 B12R1.114 C=C=Cc1cnc(cc1O)OC 271570a_100015277604_100010738159 [1,1,0,0,0,0|1,0,1]=4 1557 B12R1.114 C=C=Cc1ncc(cc1C)OC 271570a_100015277604_200009851512 [1,1,0,0,0,0|1,0,1]=4 1558 B12R1.114 C=C=Cc1ncc(cc1N)OC 271570a_100015277604_100010074831 [1,1,0,0,0,0|1,0,1]=4 1559 B12R1.114 CC=Cc1ccc(cc1Br)CC 271570a_100016259895_200009997437 [1,1,0,0,0,0|1,0,1]=4 1560 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [1,1,0,0,0,0|0,0,1]=3 1561 B12R1.114 CC=Cc1ccc(cc1C)NC 271570a_100016259895_100102888905 [1,1,0,0,0,0|1,0,1]=4 1562 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [1,1,0,0,0,0|0,0,1]=3 1563 B12R1.114 CC=Cc1ccc(cc1F)CC 271570a_100016259895_200010339503 [1,1,0,0,0,0|1,0,1]=4 1564 B12R1.114 CC=Cc1ccc(cc1F)NC 271570a_100016259895_100012285320 [1,1,0,0,0,0|1,0,1]=4 1565 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [1,1,0,0,0,0|0,0,1]=3 1566 B12R1.114 CC=Cc1ccc(cc1F)SC 271570a_100016259895_100009816902 [1,1,0,0,0,0|0,1,1]=4 1567 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [1,1,0,0,0,0|0,0,1]=3 1568 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [1,1,0,0,0,0|0,0,1]=3 1569 B12R1.114 CC=Cc1ccc(nc1C)OC 271570a_100016259895_100000766551 [1,1,0,0,0,0|1,0,1]=4 1570 B12R1.114 CC=Cc1ccc(nc1F)OC 271570a_100016259895_100010067559 [1,1,0,0,0,0|1,0,1]=4 1571 B12R1.114 CC=Cc1ccc(nc1N)OC 271570a_100016259895_100010187629 [1,1,0,0,0,0|1,0,1]=4 1572 B12R1.114 CC=Cc1cnc(cc1C)OC 271570a_100016259895_100011934368 [1,1,0,0,0,0|1,0,1]=4 1573 B12R1.114 CC=Cc1cnc(cc1F)OC 271570a_100016259895_100010136277 [1,1,0,0,0,0|1,0,1]=4 1574 B12R1.114 CC=Cc1cnc(cc1N)OC 271570a_100016259895_100010254562 [1,1,0,0,0,0|1,0,1]=4 1575 B12R1.114 CC=Cc1cnc(cc1O)OC 271570a_100016259895_100010738159 [1,1,0,0,0,0|1,0,1]=4 1576 B12R1.114 CC=Cc1ncc(cc1C)OC 271570a_100016259895_200009851512 [1,1,0,0,0,0|1,0,1]=4 1577 B12R1.114 CC=Cc1ncc(cc1N)OC 271570a_100016259895_100010074831 [1,1,0,0,0,0|1,0,1]=4 1578 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [1,1,0,0,0,0|0,1,1]=4 1579 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [1,1,0,0,0,0|0,1,1]=4 1580 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [1,1,0,0,0,0|0,1,1]=4 1581 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [1,1,0,0,0,0|0,1,1]=4 1582 B12R1.116 C=C=Cc1ccc(cc1)/C=C/C 271570a_100015277604_100016259036 [1,1,0,0,0,0|1,0,1]=4 1583 B12R1.116 C=C=Cc1ccc(cc1)CCC 271570a_100015277604_100000750032 [1,1,0,0,0,0|1,0,1]=4 1584 B12R1.116 C=C=Cc1ccc(cc1)CCN 271570a_100015277604_100000755846 [1,1,0,0,0,0|1,0,1]=4 1585 B12R1.116 C=C=Cc1ccc(cc1)CCO 271570a_100015277604_100000766406 [1,1,0,0,0,0|1,0,1]=4 1586 B12R1.116 C=C=Cc1ccc(cc1)CNC 271570a_100015277604_100000180866 [1,1,0,0,0,0|1,0,1]=4 1587 B12R1.116 C=C=Cc1ccc(cc1)COC 271570a_100015277604_100011493685 [1,1,0,0,0,0|0,0,1]=3 1588 B12R1.116 C=C=Cc1ccc(cc1)NCC 271570a_100015277604_100000219632 [1,1,0,0,0,0|1,0,1]=4 1589 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [1,1,0,0,0,0|0,0,1]=3 1590 B12R1.116 C=C=Cc1ccc(cc1)SCC 271570a_100015277604_200009811893 [1,1,0,0,0,0|0,1,1]=4 1591 B12R1.116 C=C=Cc1ccc(cn1)OCC 271570a_100015277604_100000753957 [1,1,0,0,0,0|1,0,1]=4 1592 B12R1.116 C=C=Cc1ccc(nc1)OCC 271570a_100015277604_100011219444 [1,1,0,0,0,0|1,0,1]=4 1593 B12R1.116 C=CCc1ccc(cc1)CNC 26a_100102657272_100000078792 [1,1,0,0,0,0|1,0,1]=4 1594 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [1,1,0,0,0,0|0,0,1]=3 1595 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [1,1,0,0,0,0|0,0,1]=3 1596 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [1,1,0,0,0,0|0,0,1]=3 1597 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [1,1,0,0,0,0|0,0,1]=3 1598 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [1,1,0,0,0,0|1,1,0]=4 1599 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [1,1,0,0,0,0|1,1,0]=4 1600 B12R1.116 C=COc1ccc(cc1)SCF 62a_100000704263_100015361967 [1,1,0,0,0,0|1,1,0]=4 1601 B12R1.116 C=COc1ccc(cc1)SCF 62a_100015361967_100000704263 [1,1,0,0,0,0|1,1,0]=4 1602 B12R1.116 CC=Cc1ccc(cc1)/C=C/Br 271570a_100016259895_200016255901 [1,1,0,0,0,0|2,0,0]=4 1603 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [1,1,0,0,0,0|1,0,1]=4 1604 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [1,1,0,0,0,0|1,0,1]=4 1605 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [1,1,0,0,0,0|1,0,1]=4 1606 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [1,1,0,0,0,0|1,0,1]=4 1607 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [1,1,0,0,0,0|1,0,1]=4 1608 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [1,1,0,0,0,0|1,0,1]=4 1609 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [1,1,0,0,0,0|0,0,1]=3 1610 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [1,1,0,0,0,0|1,0,1]=4 1611 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [1,1,0,0,0,0|0,0,1]=3 1612 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [1,1,0,0,0,0|0,1,1]=4 1613 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [1,1,0,0,0,0|1,0,1]=4 1614 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [1,1,0,0,0,0|1,0,1]=4 1615 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_100000210202_200016255901 [1,1,0,0,0,0|1,1,0]=4 1616 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210202 [1,1,0,0,0,0|1,1,0]=4 1617 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [1,1,0,0,0,0|0,1,1]=4 1618 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [1,1,0,0,0,0|0,1,1]=4 1619 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_100015361967_200016255901 [1,1,0,0,0,0|1,1,0]=4 1620 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_200016255901_100015361967 [1,1,0,0,0,0|1,1,0]=4 1621 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100011361690_100015361967 [1,1,0,0,0,0|0,1,1]=4 1622 B12R1.116 O=CCc1ccc(cc1)SCF 62a_100015361967_100011361690 [1,1,0,0,0,0|0,1,1]=4 1623 B12R1.288 C=C=Cc1cc(c(cn1)OC)N 271570a_100015277604_100010896307 [1,1,0,0,0,0|1,0,1]=4 1624 B12R1.288 C=C=Cc1cc(c(cn1)OC)O 271570a_100015277604_100010264082 [1,1,0,0,0,0|1,0,1]=4 1625 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [1,1,0,0,0,0|0,0,1]=3 1626 B12R1.288 C=C=Cc1ccc(c(c1)C)NC 271570a_100015277604_100000221803 [1,1,0,0,0,0|1,0,1]=4 1627 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [1,1,0,0,0,0|0,0,1]=3 1628 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [1,1,0,0,0,0|0,0,1]=3 1629 B12R1.288 C=C=Cc1ccc(c(c1)Cl)SC 271570a_100015277604_206447510565 [1,1,0,0,0,0|0,1,1]=4 1630 B12R1.288 C=C=Cc1ccc(c(c1)F)CC 271570a_100015277604_200010071577 [1,1,0,0,0,0|1,0,1]=4 1631 B12R1.288 C=C=Cc1ccc(c(c1)F)NC 271570a_100015277604_100000743884 [1,1,0,0,0,0|1,0,1]=4 1632 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [1,1,0,0,0,0|0,0,1]=3 1633 B12R1.288 C=C=Cc1ccc(c(c1)F)SC 271570a_100015277604_100010161220 [1,1,0,0,0,0|0,1,1]=4 1634 B12R1.288 C=C=Cc1ccc(c(c1)N)CC 271570a_100015277604_100012354963 [1,1,0,0,0,0|1,0,1]=4 1635 B12R1.288 C=C=Cc1ccc(c(c1)N)NC 271570a_100015277604_100000741790 [1,1,0,0,0,0|1,0,1]=4 1636 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [1,1,0,0,0,0|0,0,1]=3 1637 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [1,1,0,0,0,0|0,0,1]=3 1638 B12R1.288 C=C=Cc1ccc(c(n1)Br)OC 271570a_100015277604_100010214827 [1,1,0,0,0,0|1,0,1]=4 1639 B12R1.288 C=C=Cc1ccc(c(n1)C)OC 271570a_100015277604_100010244750 [1,1,0,0,0,0|1,0,1]=4 1640 B12R1.288 C=C=Cc1ccc(c(n1)Cl)OC 271570a_100015277604_100010233546 [1,1,0,0,0,0|1,0,1]=4 1641 B12R1.288 C=C=Cc1ccc(c(n1)F)OC 271570a_100015277604_100010138636 [1,1,0,0,0,0|1,0,1]=4 1642 B12R1.288 C=C=Cc1ccc(c(n1)N)OC 271570a_100015277604_100010192976 [1,1,0,0,0,0|1,0,1]=4 1643 B12R1.288 C=C=Cc1cnc(c(c1)Br)OC 271570a_100015277604_200010988584 [1,1,0,0,0,0|1,0,1]=4 1644 B12R1.288 C=C=Cc1cnc(c(c1)C)OC 271570a_100015277604_100011290809 [1,1,0,0,0,0|1,0,1]=4 1645 B12R1.288 C=C=Cc1cnc(c(c1)F)OC 271570a_100015277604_100011880707 [1,1,0,0,0,0|1,0,1]=4 1646 B12R1.288 C=C=Cc1cnc(c(c1)N)OC 271570a_100015277604_100000748608 [1,1,0,0,0,0|1,0,1]=4 1647 B12R1.288 C=C=Cc1cnc(c(c1)O)OC 271570a_100015277604_100010135713 [1,1,0,0,0,0|1,0,1]=4 1648 B12R1.288 CC=Cc1cc(c(cn1)OC)N 271570a_100016259895_100010896307 [1,1,0,0,0,0|1,0,1]=4 1649 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [1,1,0,0,0,0|1,0,1]=4 1650 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [1,1,0,0,0,0|0,0,1]=3 1651 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [1,1,0,0,0,0|1,0,1]=4 1652 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,1,0,0,0,0|0,0,1]=3 1653 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [1,1,0,0,0,0|0,0,1]=3 1654 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [1,1,0,0,0,0|0,1,1]=4 1655 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [1,1,0,0,0,0|1,0,1]=4 1656 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [1,1,0,0,0,0|1,0,1]=4 1657 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [1,1,0,0,0,0|0,0,1]=3 1658 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [1,1,0,0,0,0|0,1,1]=4 1659 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [1,1,0,0,0,0|1,0,1]=4 1660 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [1,1,0,0,0,0|1,0,1]=4 1661 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [1,1,0,0,0,0|0,0,1]=3 1662 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,1,0,0,0,0|0,0,1]=3 1663 B12R1.288 CC=Cc1ccc(c(n1)Br)OC 271570a_100016259895_100010214827 [1,1,0,0,0,0|1,0,1]=4 1664 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [1,1,0,0,0,0|1,0,1]=4 1665 B12R1.288 CC=Cc1ccc(c(n1)Cl)OC 271570a_100016259895_100010233546 [1,1,0,0,0,0|1,0,1]=4 1666 B12R1.288 CC=Cc1ccc(c(n1)F)OC 271570a_100016259895_100010138636 [1,1,0,0,0,0|1,0,1]=4 1667 B12R1.288 CC=Cc1ccc(c(n1)N)OC 271570a_100016259895_100010192976 [1,1,0,0,0,0|1,0,1]=4 1668 B12R1.288 CC=Cc1cnc(c(c1)Br)OC 271570a_100016259895_200010988584 [1,1,0,0,0,0|1,0,1]=4 1669 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [1,1,0,0,0,0|1,0,1]=4 1670 B12R1.288 CC=Cc1cnc(c(c1)F)OC 271570a_100016259895_100011880707 [1,1,0,0,0,0|1,0,1]=4 1671 B12R1.288 CC=Cc1cnc(c(c1)N)OC 271570a_100016259895_100000748608 [1,1,0,0,0,0|1,0,1]=4 1672 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [1,1,0,0,0,0|1,0,1]=4 1673 B14R1.2 C=C(C)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100000748629 [0,2,0,0,0,0|1,0,1]=4 1674 B14R1.2 C=C(F)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100009893438 [0,2,0,0,0,0|1,0,1]=4 1675 B14R1.2 CC(=O)CC(=O)c1ccc(cc1)S[13CH3] 62a_100000184285_200025704644 [0,2,0,0,0,0|0,1,1]=4 1676 B14R1.2 CCc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000689809 [0,2,0,0,0,0|1,0,1]=4 1677 B14R1.2 CCc1ccc(cc1)C(=O)CC(=O)N 1458a_100000211226_100000187820 [0,2,0,0,0,0|1,0,1]=4 1678 B14R1.2 CCc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000211226_100020667443 [0,2,0,0,0,0|1,0,1]=4 1679 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)C 1458a_100000070787_100000212054 [0,2,0,0,0,0|0,0,1]=3 1680 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)N 1458a_100000184203_100000187820 [0,2,0,0,0,0|0,0,1]=3 1681 B14R1.2 COc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000184203_100020667443 [0,2,0,0,0,0|0,0,1]=3 1682 B14R1.2 COc1ccc(cc1)C(=O)C[N+](=O)[O-] 1458a_100000184203_100000761209 [0,2,0,0,0,0|1,0,1]=4 1683 B14R1.2 COc1ccc(cc1)N(C)CC(=O)N 2230a_100000220023_100000747473 [0,2,0,0,0,0|1,0,1]=4 1684 B14R1.2 COc1ccc(cc1)N(C)CC(=O)N 269982a_100000220023_100000187820 [0,2,0,0,0,0|1,0,1]=4 1685 B14R1.2 COc1ccc(cc1)N(C)CC(=O)N 34a_100000220023_100000187820 [0,2,0,0,0,0|1,0,1]=4 1686 B14R1.2 COc1ccc(cc1)N(C)CC(=O)O 269956a_200011202415_200000210301 [0,2,0,0,0,0|1,0,1]=4 1687 B14R1.2 COc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000220023_100020667443 [0,2,0,0,0,0|1,0,1]=4 1688 B14R1.2 COc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000220023_100020667443 [0,2,0,0,0,0|1,0,1]=4 1689 B14R1.2 COc1ccc(cc1)N([13CH3])CC(=O)O 269956a_200011202415_200025704644 [0,2,0,0,0,0|1,0,1]=4 1690 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 11a_100011830352_100015343762 [0,2,0,0,0,0|1,0,1]=4 1691 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 1626a_100011830352_100015343762 [0,2,0,0,0,0|1,0,1]=4 1692 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 240690a_100011830352_100015343762 [0,2,0,0,0,0|1,0,1]=4 1693 B14R1.2 COc1ccc(cc1)[C@@H](C)NC(=O)C 527a_100011830352_100103153847 [0,2,0,0,0,0|1,0,1]=4 1694 B14R1.2 CSc1ccc(cc1)C(=O)CC(=O)C 62a_100000184285_200000210301 [0,2,0,0,0,0|0,1,1]=4 1695 B14R1.2 CSc1ccc(cc1)C(=O)CC(=O)N 1458a_100000189692_100000187820 [0,2,0,0,0,0|0,1,1]=4 1696 B14R1.2 CSc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000189692_100020667443 [0,2,0,0,0,0|0,1,1]=4 1697 B14R1.3 C/C(=C\c1ccc(cc1)O[13CH3])/[N+](=O)[O-] 34a_200020671538_200025704644 [0,2,0,0,0,0|1,0,0]=3 1698 B14R1.3 C/C(=C\c1ccc(cc1)O[13CH3])/[N+](=O)[O-] 7a_200020671538_200025704644 [0,2,0,0,0,0|1,0,0]=3 1699 B14R1.3 C=C(Br)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100009813364 [0,2,0,0,0,0|2,0,0]=4 1700 B14R1.3 C=C(Br)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100009813364 [0,2,0,0,0,0|2,0,0]=4 1701 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000185857 [0,2,0,0,0,0|2,0,0]=4 1702 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185857 [0,2,0,0,0,0|2,0,0]=4 1703 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185857 [0,2,0,0,0,0|2,0,0]=4 1704 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)OC 34a_200000065598_200000210301 [0,2,0,0,0,0|2,0,0]=4 1705 B14R1.3 C=C(C)C(=O)Nc1ccc(cc1)O[13CH3] 34a_200000065598_200025704644 [0,2,0,0,0,0|2,0,0]=4 1706 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000039160 [0,2,0,0,0,0|2,0,0]=4 1707 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000039160 [0,2,0,0,0,0|2,0,0]=4 1708 B14R1.3 C=C(Cl)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000039160 [0,2,0,0,0,0|2,0,0]=4 1709 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 11a_100000184247_100000036797 [0,2,0,0,0,0|2,0,0]=4 1710 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000036797 [0,2,0,0,0,0|2,0,0]=4 1711 B14R1.3 C=C(F)C(=O)Nc1ccc(cc1)OC 22a_100000184247_100000036797 [0,2,0,0,0,0|2,0,0]=4 1712 B14R1.3 CC(Oc1ccc(cc1)O[13CH3])C(=O)[O-] 34a_203549785325_200025704644 [0,2,0,0,0,0|1,0,1]=4 1713 B14R1.3 CCc1ccc(cc1)NC(=O)C(=O)N 22a_100000211069_100011215815 [0,2,0,0,0,0|2,0,0]=4 1714 B14R1.3 COc1ccc(cc1)/C=C(\C)/[N+](=O)[O-] 34a_200020671538_200000210301 [0,2,0,0,0,0|1,0,0]=3 1715 B14R1.3 COc1ccc(cc1)/C=C(\C)/[N+](=O)[O-] 7a_200020671538_200000210301 [0,2,0,0,0,0|1,0,0]=3 1716 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 11a_100000184145_100015343762 [0,2,0,0,0,0|1,0,1]=4 1717 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 1626a_100000184145_100015343762 [0,2,0,0,0,0|1,0,1]=4 1718 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 240690a_100000184145_100015343762 [0,2,0,0,0,0|1,0,1]=4 1719 B14R1.3 COc1ccc(cc1)CN(C)C(=O)C 527a_100000184145_100103153847 [0,2,0,0,0,0|1,0,1]=4 1720 B14R1.3 COc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200000210301 [0,2,0,0,0,0|0,0,2]=4 1721 B14R1.3 COc1ccc(cc1)NC(=O)C(=O)N 22a_100000184247_100011215815 [0,2,0,0,0,0|1,0,0]=3 1722 B14R1.3 COc1ccc(cc1)NC(C)C(=O)N 34a_100000184247_100000702099 [0,2,0,0,0,0|1,0,1]=4 1723 B14R1.3 COc1ccc(cc1)NC(F)C(=O)N 34a_100000184247_100009813875 [0,2,0,0,0,0|1,0,1]=4 1724 B14R1.3 COc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000184247_100020610796 [0,2,0,0,0,0|1,0,1]=4 1725 B14R1.3 COc1ccc(cc1)OC(C)C(=O)C 1458a_100000188420_200000210301 [0,2,0,0,0,0|1,0,1]=4 1726 B14R1.3 COc1ccc(cc1)OC(C)C(=O)N 34a_100000210503_100000702099 [0,2,0,0,0,0|1,0,1]=4 1727 B14R1.3 COc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000188420_200025704644 [0,2,0,0,0,0|1,0,1]=4 1728 B14R1.3 COc1ccc(cc1)OC(C)C(=O)[O-] 34a_203549785325_200000210301 [0,2,0,0,0,0|1,0,1]=4 1729 B14R1.3 COc1ccc(cc1)OC(F)C(=O)N 34a_100000210503_100009813875 [0,2,0,0,0,0|1,0,1]=4 1730 B14R1.3 COc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210503_100020610796 [0,2,0,0,0,0|1,0,1]=4 1731 B14R1.3 COc1ccc(cc1)SC(C)C(=O)C 1458a_100000230843_200000210301 [0,2,0,0,0,0|1,0,1]=4 1732 B14R1.3 COc1ccc(cc1)SC(C)C(=O)C 62a_100009814033_100000171711 [0,2,0,0,0,0|1,0,1]=4 1733 B14R1.3 COc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000171711 [0,2,0,0,0,0|1,0,1]=4 1734 B14R1.3 COc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000230843_200025704644 [0,2,0,0,0,0|1,0,1]=4 1735 B14R1.3 COc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000171711 [0,2,0,0,0,0|1,0,1]=4 1736 B14R1.3 COc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000171711 [0,2,0,0,0,0|1,0,1]=4 1737 B14R1.3 CSc1ccc(cc1)NC(=O)C(=O)N 22a_100000212337_100011215815 [0,2,0,0,0,0|1,1,0]=4 1738 B14R1.3 [13CH3]Oc1ccc(cc1)C[C@H](N)C(=O)N 34a_100011423149_200025704644 [0,2,0,0,0,0|0,0,2]=4 1739 B14R1.5 C#CC(=O)CCc1ccc(cc1)OC 1458a_100000211873_100000184700 [0,2,0,0,0,0|0,0,2]=4 1740 B14R1.5 C=CC(=NNc1ccc(cc1)OC)C 4a_100000005221_200015361842 [0,2,0,0,0,0|2,0,0]=4 1741 B14R1.5 C=CC(=O)CCc1ccc(cc1)OC 1458a_100000185746_100000184700 [0,2,0,0,0,0|0,0,2]=4 1742 B14R1.5 C=CC(=O)NCc1ccc(cc1)OC 1626a_100000185587_100000185746 [0,2,0,0,0,0|1,0,1]=4 1743 B14R1.5 C=CC(=O)NCc1ccc(cc1)OC 240690a_100000185587_200121576911 [0,2,0,0,0,0|1,0,1]=4 1744 B14R1.5 C=CC(=O)NNc1ccc(cc1)OC 22a_100000005221_100000185746 [0,2,0,0,0,0|2,0,0]=4 1745 B14R1.5 C=Cc1ccc(cc1)/C=C/C(=O)OC 271570a_100011290941_100000148628 [0,2,0,0,0,0|1,0,1]=4 1746 B14R1.5 CCC(=O)C#Cc1ccc(cc1)OC 1458a_100000185621_100000210202 [0,2,0,0,0,0|0,0,2]=4 1747 B14R1.5 CCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000210202 [0,2,0,0,0,0|2,0,0]=4 1748 B14R1.5 CCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210202 [0,2,0,0,0,0|1,0,0]=3 1749 B14R1.5 CCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210202 [0,2,0,0,0,0|0,0,0]=2 1750 B14R1.5 CCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210202 [0,2,0,0,0,0|0,1,0]=3 1751 B14R1.5 CCC(=O)C=Cc1cnc(nc1)OC 6a_100011202752_100000211110 [0,2,0,0,0,0|2,0,0]=4 1752 B14R1.5 CCC(=O)CCc1ccc(cc1)OC 1458a_100000210414_100000184700 [0,2,0,0,0,0|0,0,2]=4 1753 B14R1.5 CCC(=O)CCc1ccc(cc1)OC 1458a_100000211712_100000210202 [0,2,0,0,0,0|0,0,2]=4 1754 B14R1.5 CCC(=O)COc1ccc(cc1)OC 1458a_100000186439_100000210202 [0,2,0,0,0,0|1,0,1]=4 1755 B14R1.5 CCC(=O)CSc1ccc(cc1)OC 1458a_100000182033_100000210202 [0,2,0,0,0,0|1,0,1]=4 1756 B14R1.5 CCC(=O)CSc1ccc(cc1)OC 62a_100000747405_100000171711 [0,2,0,0,0,0|1,0,1]=4 1757 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 11a_100000185587_100000210414 [0,2,0,0,0,0|1,0,1]=4 1758 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 1626a_100000185587_100000210414 [0,2,0,0,0,0|1,0,1]=4 1759 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 240690a_100000185587_100000210414 [0,2,0,0,0,0|1,0,1]=4 1760 B14R1.5 CCC(=O)NCc1ccc(cc1)OC 527a_100000185587_100000210414 [0,2,0,0,0,0|1,0,1]=4 1761 B14R1.5 CCC(=O)NNc1ccc(cc1)OC 22a_100000005221_100000210414 [0,2,0,0,0,0|2,0,0]=4 1762 B14R1.5 CCc1ccc(cc1)C=CC(=O)CF 1458a_100000187855_100015361967 [0,2,0,0,0,0|1,0,0]=3 1763 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 11a_106832991635_100000187855 [0,2,0,0,0,0|1,0,0]=3 1764 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 1626a_100102657272_100000187855 [0,2,0,0,0,0|1,0,0]=3 1765 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 240690a_100102657272_100000187855 [0,2,0,0,0,0|1,0,0]=3 1766 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 11a_106832991635_100000185084 [0,2,0,0,0,0|2,0,0]=4 1767 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 1626a_100102657272_100000185084 [0,2,0,0,0,0|2,0,0]=4 1768 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 240690a_100102657272_100000185084 [0,2,0,0,0,0|2,0,0]=4 1769 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 11a_106832991635_100000184205 [0,2,0,0,0,0|0,0,0]=2 1770 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 1626a_100102657272_100000184205 [0,2,0,0,0,0|0,0,0]=2 1771 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 527a_100102657272_100000184205 [0,2,0,0,0,0|0,0,0]=2 1772 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 11a_106832991635_100102526083 [0,2,0,0,0,0|0,1,0]=3 1773 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 1626a_100102657272_100102526083 [0,2,0,0,0,0|0,1,0]=3 1774 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 240690a_100102657272_100102526083 [0,2,0,0,0,0|0,1,0]=3 1775 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 11a_106832991635_100000211712 [0,2,0,0,0,0|0,0,2]=4 1776 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 1626a_100102657272_100000211712 [0,2,0,0,0,0|0,0,2]=4 1777 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 240690a_100102657272_100000211712 [0,2,0,0,0,0|0,0,2]=4 1778 B14R1.5 CNC(=O)CCc1ccc(cc1)OC 527a_100102657272_100000211712 [0,2,0,0,0,0|0,0,2]=4 1779 B14R1.5 CNC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000183359 [0,2,0,0,0,0|1,0,1]=4 1780 B14R1.5 CNC(=O)COc1ccc(cc1)OC 11a_106832991635_100000186439 [0,2,0,0,0,0|1,0,1]=4 1781 B14R1.5 CNC(=O)COc1ccc(cc1)OC 1626a_100102657272_100000186439 [0,2,0,0,0,0|1,0,1]=4 1782 B14R1.5 CNC(=O)COc1ccc(cc1)OC 240690a_100102657272_100000186439 [0,2,0,0,0,0|1,0,1]=4 1783 B14R1.5 CNC(=O)COc1ccc(cc1)OC 34a_100000210503_100000183359 [0,2,0,0,0,0|1,0,1]=4 1784 B14R1.5 CNC(=O)COc1ccc(cc1)OC 527a_100102657272_100000186439 [0,2,0,0,0,0|1,0,1]=4 1785 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 11a_106832991635_100000182033 [0,2,0,0,0,0|1,0,1]=4 1786 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 1626a_100102657272_100000182033 [0,2,0,0,0,0|1,0,1]=4 1787 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 240690a_100102657272_100000182033 [0,2,0,0,0,0|1,0,1]=4 1788 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 527a_100102657272_100000182033 [0,2,0,0,0,0|1,0,1]=4 1789 B14R1.5 CNC(=O)CSc1ccc(cc1)OC 62a_100000183359_100000171711 [0,2,0,0,0,0|1,0,1]=4 1790 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 2708a_100000185587_106832991635 [0,2,0,0,0,0|1,0,1]=4 1791 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 2708a_100102657272_100000185587 [0,2,0,0,0,0|1,0,1]=4 1792 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 273464a_100000185587_100102657272 [0,2,0,0,0,0|1,0,1]=4 1793 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 273464a_100102657272_100000185587 [0,2,0,0,0,0|1,0,1]=4 1794 B14R1.5 CNC(=O)NCc1ccc(cc1)OC 512a_106832991638_100000185587 [0,2,0,0,0,0|1,0,1]=4 1795 B14R1.5 CNC(=O)NNc1ccc(cc1)OC 273464a_100102657272_100000005221 [0,2,0,0,0,0|2,0,0]=4 1796 B14R1.5 CNC(=O)NNc1ccc(cc1)OC 512a_106832991638_100000005221 [0,2,0,0,0,0|2,0,0]=4 1797 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_100000148628_200000210301 [0,2,0,0,0,0|0,1,0]=3 1798 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_200000210301_100000148628 [0,2,0,0,0,0|0,1,0]=3 1799 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_100000148628_200025704644 [0,2,0,0,0,0|0,1,0]=3 1800 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100000148628 [0,2,0,0,0,0|0,1,0]=3 1801 B14R1.5 COC(=O)C=Cc1ccc(cc1)OC 34a_100000151162_200000210301 [0,2,0,0,0,0|0,0,0]=2 1802 B14R1.5 COC(=O)C=Cc1ccc(cc1)O[13CH3] 34a_100000151162_200025704644 [0,2,0,0,0,0|0,0,0]=2 1803 B14R1.5 COC(=O)CCc1ccc(cc1)OC 34a_100000032826_200000210301 [0,2,0,0,0,0|0,0,2]=4 1804 B14R1.5 COC(=O)CCc1ccc(cc1)OC 7a_100000032826_200000210301 [0,2,0,0,0,0|0,0,2]=4 1805 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000032826_200025704644 [0,2,0,0,0,0|0,0,2]=4 1806 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000032826_200025704644 [0,2,0,0,0,0|0,0,2]=4 1807 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000747449 [0,2,0,0,0,0|1,0,1]=4 1808 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100016989482_200000210301 [0,2,0,0,0,0|1,0,1]=4 1809 B14R1.5 COC(=O)CNc1ccc(cc1)O[13CH3] 34a_100016989482_200025704644 [0,2,0,0,0,0|1,0,1]=4 1810 B14R1.5 COC(=O)COc1ccc(cc1)OC 34a_100000210503_100000747449 [0,2,0,0,0,0|1,0,1]=4 1811 B14R1.5 COC(=O)CSc1ccc(cc1)OC 62a_100000747449_100000171711 [0,2,0,0,0,0|1,0,1]=4 1812 B14R1.5 COc1ccc(cc1)C#CC(=O)CF 1458a_100000185621_100015361967 [0,2,0,0,0,0|0,0,2]=4 1813 B14R1.5 COc1ccc(cc1)C=CC(=O)CF 1458a_100000184205_100015361967 [0,2,0,0,0,0|0,0,0]=2 1814 B14R1.5 COc1ccc(cc1)CCC(=O)CF 1458a_100000211712_100015361967 [0,2,0,0,0,0|0,0,2]=4 1815 B14R1.5 COc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100000184700 [0,2,0,0,0,0|0,0,2]=4 1816 B14R1.5 COc1ccc(cc1)CCC(=O)NN 34a_100000048474_200000210301 [0,2,0,0,0,0|0,0,2]=4 1817 B14R1.5 COc1ccc(cc1)CNC(=O)CO 240690a_100000185587_100000210174 [0,2,0,0,0,0|1,0,1]=4 1818 B14R1.5 COc1ccc(cc1)CNC(=O)CO 527a_100000185587_100000210174 [0,2,0,0,0,0|1,0,1]=4 1819 B14R1.5 COc1ccc(cc1)NNC(=O)CO 22a_100000005221_100000210174 [0,2,0,0,0,0|2,0,0]=4 1820 B14R1.5 COc1ccc(cc1)OCC(=O)CF 1458a_100000186439_100015361967 [0,2,0,0,0,0|1,0,1]=4 1821 B14R1.5 COc1ccc(cc1)SCC(=O)CF 1458a_100000182033_100015361967 [0,2,0,0,0,0|1,0,1]=4 1822 B14R1.5 COc1ncc(cn1)C=CC(=O)CBr 6a_100011202752_100009888967 [0,2,0,0,0,0|2,0,0]=4 1823 B14R1.5 COc1ncc(cn1)C=CC(=O)CCl 6a_100011202752_100000086384 [0,2,0,0,0,0|2,0,0]=4 1824 B14R1.5 COc1ncc(cn1)C=CC(=O)CF 6a_100011202752_100000764096 [0,2,0,0,0,0|2,0,0]=4 1825 B14R1.5 CSc1ccc(cc1)C=CC(=O)CF 1458a_100102526083_100015361967 [0,2,0,0,0,0|0,1,0]=3 1826 B14R1.5 N#Cc1ccc(cc1)C=CC(=O)CF 1458a_100000185084_100015361967 [0,2,0,0,0,0|2,0,0]=4 1827 B14R1.5 [13CH3]Oc1ccc(cc1)CCC(=O)NN 34a_100000048474_200025704644 [0,2,0,0,0,0|0,0,2]=4 1828 B14R1.103 COc1ccc(c(c1)Br)C=CC(C)C 271570a_100016257149_100012349170 [0,2,0,0,0,0|1,0,1]=4 1829 B14R1.103 COc1ccc(c(c1)Br)C=CC(C)O 271570a_200011019289_100012349170 [0,2,0,0,0,0|0,0,2]=4 1830 B14R1.103 COc1ccc(c(c1)Br)NCC(=O)N 34a_100015195136_100000187820 [0,2,0,0,0,0|1,0,1]=4 1831 B14R1.103 COc1ccc(c(c1)Br)NCC(=O)[O-] 34a_100015195136_100020667443 [0,2,0,0,0,0|1,0,1]=4 1832 B14R1.103 COc1ccc(c(c1)Br)OCC(=O)N 34a_100000685887_100000187820 [0,2,0,0,0,0|1,0,1]=4 1833 B14R1.103 COc1ccc(c(c1)Br)OCC(=O)N 7a_100000685887_100000187820 [0,2,0,0,0,0|1,0,1]=4 1834 B14R1.103 COc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100000685887_100020667443 [0,2,0,0,0,0|1,0,1]=4 1835 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)N 62a_100000747473_100012349170 [0,2,0,0,0,0|1,0,1]=4 1836 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)N 62a_100012349170_100000747473 [0,2,0,0,0,0|1,0,1]=4 1837 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100012349170_100020667443 [0,2,0,0,0,0|1,0,1]=4 1838 B14R1.103 COc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100020667443_100012349170 [0,2,0,0,0,0|1,0,1]=4 1839 B14R1.103 COc1ccc(c(c1)C)C=CC(C)C 271570a_100016257149_100000759875 [0,2,0,0,0,0|1,0,1]=4 1840 B14R1.103 COc1ccc(c(c1)C)C=CC(C)O 271570a_200011019289_100000759875 [0,2,0,0,0,0|0,0,2]=4 1841 B14R1.103 COc1ccc(c(c1)C)NCC(=O)N 34a_100000750285_100000187820 [0,2,0,0,0,0|1,0,1]=4 1842 B14R1.103 COc1ccc(c(c1)C)NCC(=O)[O-] 34a_100000750285_100020667443 [0,2,0,0,0,0|1,0,1]=4 1843 B14R1.103 COc1ccc(c(c1)C)NNC(=O)C 22a_115082355441_100000070787 [0,2,0,0,0,0|2,0,0]=4 1844 B14R1.103 COc1ccc(c(c1)C)OCC(=O)N 34a_100012002223_100000187820 [0,2,0,0,0,0|1,0,1]=4 1845 B14R1.103 COc1ccc(c(c1)C)OCC(=O)N 7a_100012002223_100000187820 [0,2,0,0,0,0|1,0,1]=4 1846 B14R1.103 COc1ccc(c(c1)C)OCC(=O)[O-] 34a_100012002223_100020667443 [0,2,0,0,0,0|1,0,1]=4 1847 B14R1.103 COc1ccc(c(c1)C)SCC(=O)N 62a_100000747473_100000759875 [0,2,0,0,0,0|1,0,1]=4 1848 B14R1.103 COc1ccc(c(c1)C)SCC(=O)N 62a_100000759875_100000747473 [0,2,0,0,0,0|1,0,1]=4 1849 B14R1.103 COc1ccc(c(c1)C)SCC(=O)[O-] 62a_100000759875_100020667443 [0,2,0,0,0,0|1,0,1]=4 1850 B14R1.103 COc1ccc(c(c1)C)SCC(=O)[O-] 62a_100020667443_100000759875 [0,2,0,0,0,0|1,0,1]=4 1851 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 11a_100138410423_100015343762 [0,2,0,0,0,0|1,0,1]=4 1852 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 1626a_100138410423_100015343762 [0,2,0,0,0,0|1,0,1]=4 1853 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 240690a_100138410423_100015343762 [0,2,0,0,0,0|1,0,1]=4 1854 B14R1.103 COc1ccc(c(c1)Cl)CNC(=O)C 527a_100138410423_100103153847 [0,2,0,0,0,0|1,0,1]=4 1855 B14R1.103 COc1ccc(c(c1)Cl)NCC(=O)N 34a_100000747055_100000187820 [0,2,0,0,0,0|1,0,1]=4 1856 B14R1.103 COc1ccc(c(c1)Cl)NCC(=O)[O-] 34a_100000747055_100020667443 [0,2,0,0,0,0|1,0,1]=4 1857 B14R1.103 COc1ccc(c(c1)Cl)OCC(=O)N 34a_100000038596_100000187820 [0,2,0,0,0,0|1,0,1]=4 1858 B14R1.103 COc1ccc(c(c1)Cl)OCC(=O)N 7a_100000038596_100000187820 [0,2,0,0,0,0|1,0,1]=4 1859 B14R1.103 COc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000038596_100020667443 [0,2,0,0,0,0|1,0,1]=4 1860 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)C 1458a_200102525171_200000210301 [0,2,0,0,0,0|0,0,0]=2 1861 B14R1.103 COc1ccc(c(c1)F)C=CC(=O)[13CH3] 1458a_200102525171_200025704644 [0,2,0,0,0,0|0,0,0]=2 1862 B14R1.103 COc1ccc(c(c1)F)C=CC(C)C 271570a_100016257149_100000753793 [0,2,0,0,0,0|1,0,1]=4 1863 B14R1.103 COc1ccc(c(c1)F)C=CC(C)O 271570a_200011019289_100000753793 [0,2,0,0,0,0|0,0,2]=4 1864 B14R1.103 COc1ccc(c(c1)F)CCC(=O)C 1458a_200012180015_200000210301 [0,2,0,0,0,0|0,0,2]=4 1865 B14R1.103 COc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_200012180015_200025704644 [0,2,0,0,0,0|0,0,2]=4 1866 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 11a_100000687396_100015343762 [0,2,0,0,0,0|1,0,1]=4 1867 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 1626a_100000687396_100015343762 [0,2,0,0,0,0|1,0,1]=4 1868 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 240690a_100000687396_100015343762 [0,2,0,0,0,0|1,0,1]=4 1869 B14R1.103 COc1ccc(c(c1)F)CNC(=O)C 527a_100000687396_100103153847 [0,2,0,0,0,0|1,0,1]=4 1870 B14R1.103 COc1ccc(c(c1)F)NCC(=O)N 34a_100011299463_100000187820 [0,2,0,0,0,0|1,0,1]=4 1871 B14R1.103 COc1ccc(c(c1)F)NCC(=O)[O-] 34a_100011299463_100020667443 [0,2,0,0,0,0|1,0,1]=4 1872 B14R1.103 COc1ccc(c(c1)F)NNC(=O)C 22a_100015191252_100000070787 [0,2,0,0,0,0|2,0,0]=4 1873 B14R1.103 COc1ccc(c(c1)F)OCC(=O)N 34a_100000036999_100000187820 [0,2,0,0,0,0|1,0,1]=4 1874 B14R1.103 COc1ccc(c(c1)F)OCC(=O)N 7a_100000036999_100000187820 [0,2,0,0,0,0|1,0,1]=4 1875 B14R1.103 COc1ccc(c(c1)F)OCC(=O)[O-] 34a_100000036999_100020667443 [0,2,0,0,0,0|1,0,1]=4 1876 B14R1.103 COc1ccc(c(c1)F)SCC(=O)N 62a_100000747473_100000753793 [0,2,0,0,0,0|1,0,1]=4 1877 B14R1.103 COc1ccc(c(c1)F)SCC(=O)N 62a_100000753793_100000747473 [0,2,0,0,0,0|1,0,1]=4 1878 B14R1.103 COc1ccc(c(c1)F)SCC(=O)[O-] 62a_100000753793_100020667443 [0,2,0,0,0,0|1,0,1]=4 1879 B14R1.103 COc1ccc(c(c1)F)SCC(=O)[O-] 62a_100020667443_100000753793 [0,2,0,0,0,0|1,0,1]=4 1880 B14R1.103 COc1ccc(c(c1)I)NCC(=O)N 34a_100000049804_100000187820 [0,2,0,0,0,0|1,0,1]=4 1881 B14R1.103 COc1ccc(c(c1)I)NCC(=O)[O-] 34a_100000049804_100020667443 [0,2,0,0,0,0|1,0,1]=4 1882 B14R1.103 COc1ccc(c(c1)N)C=CC(C)C 271570a_100016257149_100000748021 [0,2,0,0,0,0|1,0,1]=4 1883 B14R1.103 COc1ccc(c(c1)N)C=CC(C)O 271570a_200011019289_100000748021 [0,2,0,0,0,0|0,0,2]=4 1884 B14R1.103 COc1ccc(c(c1)N)OCC(=O)N 34a_100000188146_100000187820 [0,2,0,0,0,0|1,0,1]=4 1885 B14R1.103 COc1ccc(c(c1)N)OCC(=O)[O-] 34a_100000188146_100020667443 [0,2,0,0,0,0|1,0,1]=4 1886 B14R1.103 COc1ccc(c(c1)N)SCC(=O)N 62a_100000747473_100000748021 [0,2,0,0,0,0|1,0,1]=4 1887 B14R1.103 COc1ccc(c(c1)N)SCC(=O)N 62a_100000748021_100000747473 [0,2,0,0,0,0|1,0,1]=4 1888 B14R1.103 COc1ccc(c(c1)N)SCC(=O)[O-] 62a_100000748021_100020667443 [0,2,0,0,0,0|1,0,1]=4 1889 B14R1.103 COc1ccc(c(c1)N)SCC(=O)[O-] 62a_100020667443_100000748021 [0,2,0,0,0,0|1,0,1]=4 1890 B14R1.103 COc1ccc(c(c1)O)C=CC(C)C 271570a_100016257149_100000719091 [0,2,0,0,0,0|1,0,1]=4 1891 B14R1.103 COc1ccc(c(c1)O)C=CC(C)O 271570a_200011019289_100000719091 [0,2,0,0,0,0|0,0,2]=4 1892 B14R1.103 COc1ccc(c(c1)O)NCC(=O)N 34a_100016989039_100000187820 [0,2,0,0,0,0|1,0,1]=4 1893 B14R1.103 COc1ccc(c(c1)O)NCC(=O)[O-] 34a_100016989039_100020667443 [0,2,0,0,0,0|1,0,1]=4 1894 B14R1.103 COc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100000719091 [0,2,0,0,0,0|1,0,1]=4 1895 B14R1.103 COc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100000719091 [0,2,0,0,0,0|1,0,1]=4 1896 B14R1.142 C=C=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100015277604_200016259395 [0,2,0,0,0,0|1,0,1]=4 1897 B14R1.142 CC(=O)/C=C/c1ccc(cc1)OCF 34a_100000189429_100015361967 [0,2,0,0,0,0|0,0,0]=2 1898 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_100015361967_200016259395 [0,2,0,0,0,0|0,1,0]=3 1899 B14R1.142 CC(=O)/C=C/c1ccc(cc1)SCF 62a_200016259395_100015361967 [0,2,0,0,0,0|0,1,0]=3 1900 B14R1.142 CC(=O)CCc1ccc(cc1)OCF 34a_100000198047_100015361967 [0,2,0,0,0,0|0,0,2]=4 1901 B14R1.142 CC(=O)CCc1ccc(cc1)OCF 7a_100000198047_100015361967 [0,2,0,0,0,0|0,0,2]=4 1902 B14R1.142 CC=Cc1ccc(cc1)/C=C/C(=O)C 271570a_100016259895_200016259395 [0,2,0,0,0,0|1,0,0]=3 1903 B14R1.142 CCOc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_100000210202 [0,2,0,0,0,0|0,0,0]=2 1904 B14R1.142 CCOc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_100000210202 [0,2,0,0,0,0|1,0,0]=3 1905 B14R1.142 CCOc1ccc(cc1)C=CC(=O)C 1458a_100000690215_200000210301 [0,2,0,0,0,0|0,0,0]=2 1906 B14R1.142 CCOc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000690215_200025704644 [0,2,0,0,0,0|0,0,0]=2 1907 B14R1.142 CCOc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000169946 [0,2,0,0,0,0|1,0,1]=4 1908 B14R1.142 CCOc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000169946 [0,2,0,0,0,0|0,0,2]=4 1909 B14R1.142 CCOc1ccc(cc1)CCC(=O)C 1458a_100000743745_200000210301 [0,2,0,0,0,0|0,0,2]=4 1910 B14R1.142 CCOc1ccc(cc1)CCC(=O)C 34a_100000198047_100000210202 [0,2,0,0,0,0|0,0,2]=4 1911 B14R1.142 CCOc1ccc(cc1)CCC(=O)C 7a_100000198047_100000210202 [0,2,0,0,0,0|0,0,2]=4 1912 B14R1.142 CCOc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000743745_200025704644 [0,2,0,0,0,0|0,0,2]=4 1913 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 11a_100000185588_100015343762 [0,2,0,0,0,0|1,0,1]=4 1914 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 1626a_100000185588_100015343762 [0,2,0,0,0,0|1,0,1]=4 1915 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 240690a_100000185588_100015343762 [0,2,0,0,0,0|1,0,1]=4 1916 B14R1.142 CCOc1ccc(cc1)CNC(=O)C 527a_100000185588_100103153847 [0,2,0,0,0,0|1,0,1]=4 1917 B14R1.142 CCOc1ccc(cc1)NCC(=O)N 2230a_100000739623_100000747473 [0,2,0,0,0,0|1,0,1]=4 1918 B14R1.142 CCOc1ccc(cc1)NCC(=O)N 34a_100000739623_100000187820 [0,2,0,0,0,0|1,0,1]=4 1919 B14R1.142 CCOc1ccc(cc1)NCC(=O)[O-] 34a_100000739623_100020667443 [0,2,0,0,0,0|1,0,1]=4 1920 B14R1.142 CCOc1ccc(cc1)NNC(=O)C 22a_100000738955_100000070787 [0,2,0,0,0,0|2,0,0]=4 1921 B14R1.142 CCOc1ccc(cc1)OCC(=O)C 1458a_100000183567_200000210301 [0,2,0,0,0,0|1,0,1]=4 1922 B14R1.142 CCOc1ccc(cc1)OCC(=O)N 34a_100000185467_100000187820 [0,2,0,0,0,0|1,0,1]=4 1923 B14R1.142 CCOc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000183567_200025704644 [0,2,0,0,0,0|1,0,1]=4 1924 B14R1.142 CCOc1ccc(cc1)OCC(=O)[O-] 34a_100000185467_100020667443 [0,2,0,0,0,0|1,0,1]=4 1925 B14R1.142 CCOc1ccc(cc1)SCC(=O)C 1458a_100000016182_200000210301 [0,2,0,0,0,0|1,0,1]=4 1926 B14R1.142 CCOc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171712 [0,2,0,0,0,0|1,0,1]=4 1927 B14R1.142 CCOc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000016182_200025704644 [0,2,0,0,0,0|1,0,1]=4 1928 B14R1.142 CCOc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171712 [0,2,0,0,0,0|1,0,1]=4 1929 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_100000210202_200016259395 [0,2,0,0,0,0|0,1,0]=3 1930 B14R1.142 CCSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_100000210202 [0,2,0,0,0,0|0,1,0]=3 1931 B14R1.142 CNCc1ccc(cc1)/C=C/C(=O)C 26a_100102657272_100000189429 [0,2,0,0,0,0|1,0,0]=3 1932 B14R1.142 CNCc1ccc(cc1)/C=C/[N+](=O)[O-] 26a_100102657272_100102610870 [0,2,0,0,0,0|2,0,0]=4 1933 B14R1.142 COCc1ccc(cc1)C=CC(C)C 271570a_100016257149_100011493685 [0,2,0,0,0,0|1,0,1]=4 1934 B14R1.142 COCc1ccc(cc1)C=CC(C)O 271570a_200011019289_100011493685 [0,2,0,0,0,0|0,0,2]=4 1935 B14R1.142 COCc1ccc(cc1)CNC(=O)C 11a_100000738208_100015343762 [0,2,0,0,0,0|1,0,1]=4 1936 B14R1.142 COCc1ccc(cc1)CNC(=O)C 1626a_100000738208_100015343762 [0,2,0,0,0,0|1,0,1]=4 1937 B14R1.142 COCc1ccc(cc1)CNC(=O)C 240690a_100000738208_100015343762 [0,2,0,0,0,0|1,0,1]=4 1938 B14R1.142 COCc1ccc(cc1)CNC(=O)C 527a_100000738208_100103153847 [0,2,0,0,0,0|1,0,1]=4 1939 B14R1.142 COCc1ccc(cc1)NCC(=O)N 34a_100000694113_100000187820 [0,2,0,0,0,0|1,0,1]=4 1940 B14R1.142 COCc1ccc(cc1)NCC(=O)[O-] 34a_100000694113_100020667443 [0,2,0,0,0,0|1,0,1]=4 1941 B14R1.142 COCc1ccc(cc1)OCC(=O)N 34a_200011995677_100000187820 [0,2,0,0,0,0|1,0,1]=4 1942 B14R1.142 COCc1ccc(cc1)OCC(=O)N 7a_200011995677_100000187820 [0,2,0,0,0,0|1,0,1]=4 1943 B14R1.142 COCc1ccc(cc1)OCC(=O)[O-] 34a_200011995677_100020667443 [0,2,0,0,0,0|1,0,1]=4 1944 B14R1.142 COCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011493685 [0,2,0,0,0,0|1,0,1]=4 1945 B14R1.142 COCc1ccc(cc1)SCC(=O)N 62a_100011493685_100000747473 [0,2,0,0,0,0|1,0,1]=4 1946 B14R1.142 COCc1ccc(cc1)SCC(=O)[O-] 62a_100011493685_100020667443 [0,2,0,0,0,0|1,0,1]=4 1947 B14R1.142 COCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011493685 [0,2,0,0,0,0|1,0,1]=4 1948 B14R1.142 O=[N+]([O-])/C=C/c1ccc(cc1)OCF 34a_100102610870_100015361967 [0,2,0,0,0,0|1,0,0]=3 1949 B14R1.211 COc1ccc(cc1)C=CC(C)(C)C 271570a_100102527731_100000171711 [0,2,0,0,0,0|1,0,1]=4 1950 B14R1.211 COc1ccc(cc1)C=CC(C)(C)O 271570a_200016258132_100000171711 [0,2,0,0,0,0|0,0,2]=4 1951 B14R1.419 C=C(C)c1ccc(cc1)/C=C/C(=O)C 271570a_100000694244_200016259395 [0,2,0,0,0,0|1,0,0]=3 1952 B14R1.419 CC(=O)C=Cc1ccc(cc1)C(C)C 1458a_100000185018_200000210301 [0,2,0,0,0,0|1,0,0]=3 1953 B14R1.419 CC(=O)C=Cc1ccc(cc1)N(C)C 1458a_100016270256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1954 B14R1.419 CC(=O)C=Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000182685_200000210301 [0,2,0,0,0,0|2,0,0]=4 1955 B14R1.419 CC(=O)c1ccc(cc1)/C=C/[N+](=O)[O-] 1458a_200016259043_200000210301 [0,2,0,0,0,0|2,0,0]=4 1956 B14R1.419 CC(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000185018_200025704644 [0,2,0,0,0,0|1,0,0]=3 1957 B14R1.419 CN(C)c1ccc(cc1)C=CC(=O)[13CH3] 1458a_100016270256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1958 B14R1.419 [13CH3]C(=O)C=Cc1ccc(cc1)[N+](=O)[O-] 1458a_100000182685_200025704644 [0,2,0,0,0,0|2,0,0]=4 1959 B14R1.419 [13CH3]C(=O)c1ccc(cc1)/C=C/[N+](=O)[O-] 1458a_200016259043_200025704644 [0,2,0,0,0,0|2,0,0]=4 1960 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)C 1458a_200000186738_200000210301 [0,2,0,0,0,0|0,0,0]=2 1961 B14R1.3653 COc1ccc(cc1Br)C=CC(=O)[13CH3] 1458a_200000186738_200025704644 [0,2,0,0,0,0|0,0,0]=2 1962 B14R1.3653 COc1ccc(cc1Br)C=CC(C)C 271570a_100016257149_100011249507 [0,2,0,0,0,0|1,0,1]=4 1963 B14R1.3653 COc1ccc(cc1Br)C=CC(C)O 271570a_200011019289_100011249507 [0,2,0,0,0,0|0,0,2]=4 1964 B14R1.3653 COc1ccc(cc1Br)CCC(=O)C 1458a_100000736731_200000210301 [0,2,0,0,0,0|0,0,2]=4 1965 B14R1.3653 COc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100000736731_200025704644 [0,2,0,0,0,0|0,0,2]=4 1966 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 11a_100159240714_100015343762 [0,2,0,0,0,0|1,0,1]=4 1967 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 1626a_100159240714_100015343762 [0,2,0,0,0,0|1,0,1]=4 1968 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 240690a_100159240714_100015343762 [0,2,0,0,0,0|1,0,1]=4 1969 B14R1.3653 COc1ccc(cc1Br)CNC(=O)C 527a_100159240714_100103153847 [0,2,0,0,0,0|1,0,1]=4 1970 B14R1.3653 COc1ccc(cc1Br)NCC(=O)N 34a_100000187427_100000187820 [0,2,0,0,0,0|1,0,1]=4 1971 B14R1.3653 COc1ccc(cc1Br)NCC(=O)[O-] 34a_100000187427_100020667443 [0,2,0,0,0,0|1,0,1]=4 1972 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 34a_100010234764_100000187820 [0,2,0,0,0,0|1,0,1]=4 1973 B14R1.3653 COc1ccc(cc1Br)OCC(=O)N 7a_100010234764_100000187820 [0,2,0,0,0,0|1,0,1]=4 1974 B14R1.3653 COc1ccc(cc1Br)OCC(=O)[O-] 34a_100010234764_100020667443 [0,2,0,0,0,0|1,0,1]=4 1975 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011249507 [0,2,0,0,0,0|1,0,1]=4 1976 B14R1.3653 COc1ccc(cc1Br)SCC(=O)N 62a_100011249507_100000747473 [0,2,0,0,0,0|1,0,1]=4 1977 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100011249507_100020667443 [0,2,0,0,0,0|1,0,1]=4 1978 B14R1.3653 COc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011249507 [0,2,0,0,0,0|1,0,1]=4 1979 B14R1.3653 COc1ccc(cc1C)C=CC(=O)C 1458a_100116352456_200000210301 [0,2,0,0,0,0|0,0,0]=2 1980 B14R1.3653 COc1ccc(cc1C)C=CC(=O)[13CH3] 1458a_100116352456_200025704644 [0,2,0,0,0,0|0,0,0]=2 1981 B14R1.3653 COc1ccc(cc1C)C=CC(C)C 271570a_100016257149_100011219705 [0,2,0,0,0,0|1,0,1]=4 1982 B14R1.3653 COc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011219705 [0,2,0,0,0,0|0,0,2]=4 1983 B14R1.3653 COc1ccc(cc1C)CCC(=O)C 1458a_100011616661_200000210301 [0,2,0,0,0,0|0,0,2]=4 1984 B14R1.3653 COc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011616661_200025704644 [0,2,0,0,0,0|0,0,2]=4 1985 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 11a_100102679029_100015343762 [0,2,0,0,0,0|1,0,1]=4 1986 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 1626a_100102679029_100015343762 [0,2,0,0,0,0|1,0,1]=4 1987 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 240690a_100102679029_100015343762 [0,2,0,0,0,0|1,0,1]=4 1988 B14R1.3653 COc1ccc(cc1C)CNC(=O)C 527a_100102679029_100103153847 [0,2,0,0,0,0|1,0,1]=4 1989 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 2230a_100000743268_100000747473 [0,2,0,0,0,0|1,0,1]=4 1990 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 34a_100000743268_100000187820 [0,2,0,0,0,0|1,0,1]=4 1991 B14R1.3653 COc1ccc(cc1C)NCC(=O)N 7a_100000743268_100000187820 [0,2,0,0,0,0|1,0,1]=4 1992 B14R1.3653 COc1ccc(cc1C)NCC(=O)[O-] 34a_100000743268_100020667443 [0,2,0,0,0,0|1,0,1]=4 1993 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 34a_100000759738_100000187820 [0,2,0,0,0,0|1,0,1]=4 1994 B14R1.3653 COc1ccc(cc1C)OCC(=O)N 7a_100000759738_100000187820 [0,2,0,0,0,0|1,0,1]=4 1995 B14R1.3653 COc1ccc(cc1C)OCC(=O)[O-] 34a_100000759738_100020667443 [0,2,0,0,0,0|1,0,1]=4 1996 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011219705 [0,2,0,0,0,0|1,0,1]=4 1997 B14R1.3653 COc1ccc(cc1C)SCC(=O)N 62a_100011219705_100000747473 [0,2,0,0,0,0|1,0,1]=4 1998 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100011219705_100020667443 [0,2,0,0,0,0|1,0,1]=4 1999 B14R1.3653 COc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011219705 [0,2,0,0,0,0|1,0,1]=4 2000 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)C 1458a_100000735007_200000210301 [0,2,0,0,0,0|0,0,0]=2 2001 B14R1.3653 COc1ccc(cc1Cl)C=CC(=O)[13CH3] 1458a_100000735007_200025704644 [0,2,0,0,0,0|0,0,0]=2 2002 B14R1.3653 COc1ccc(cc1Cl)C=CC(C)C 271570a_100016257149_100012355395 [0,2,0,0,0,0|1,0,1]=4 2003 B14R1.3653 COc1ccc(cc1Cl)C=CC(C)O 271570a_200011019289_100012355395 [0,2,0,0,0,0|0,0,2]=4 2004 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)C 1458a_100000735577_200000210301 [0,2,0,0,0,0|0,0,2]=4 2005 B14R1.3653 COc1ccc(cc1Cl)CCC(=O)[13CH3] 1458a_100000735577_200025704644 [0,2,0,0,0,0|0,0,2]=4 2006 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 11a_100000008799_100015343762 [0,2,0,0,0,0|1,0,1]=4 2007 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 1626a_100000008799_100015343762 [0,2,0,0,0,0|1,0,1]=4 2008 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 240690a_100000008799_100015343762 [0,2,0,0,0,0|1,0,1]=4 2009 B14R1.3653 COc1ccc(cc1Cl)CNC(=O)C 527a_100000008799_100103153847 [0,2,0,0,0,0|1,0,1]=4 2010 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 2230a_100000211044_100000747473 [0,2,0,0,0,0|1,0,1]=4 2011 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)N 34a_100000211044_100000187820 [0,2,0,0,0,0|1,0,1]=4 2012 B14R1.3653 COc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000211044_100020667443 [0,2,0,0,0,0|1,0,1]=4 2013 B14R1.3653 COc1ccc(cc1Cl)NNC(=O)C 22a_100000699481_100000070787 [0,2,0,0,0,0|2,0,0]=4 2014 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 34a_200009861682_100000187820 [0,2,0,0,0,0|1,0,1]=4 2015 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)N 7a_200009861682_100000187820 [0,2,0,0,0,0|1,0,1]=4 2016 B14R1.3653 COc1ccc(cc1Cl)OCC(=O)[O-] 34a_200009861682_100020667443 [0,2,0,0,0,0|1,0,1]=4 2017 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100012355395 [0,2,0,0,0,0|1,0,1]=4 2018 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)N 62a_100012355395_100000747473 [0,2,0,0,0,0|1,0,1]=4 2019 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100012355395_100020667443 [0,2,0,0,0,0|1,0,1]=4 2020 B14R1.3653 COc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100012355395 [0,2,0,0,0,0|1,0,1]=4 2021 B14R1.3653 COc1ccc(cc1F)C=CC(=O)C 1458a_100102526129_200000210301 [0,2,0,0,0,0|0,0,0]=2 2022 B14R1.3653 COc1ccc(cc1F)C=CC(=O)[13CH3] 1458a_100102526129_200025704644 [0,2,0,0,0,0|0,0,0]=2 2023 B14R1.3653 COc1ccc(cc1F)C=CC(C)C 271570a_100016257149_100000185480 [0,2,0,0,0,0|1,0,1]=4 2024 B14R1.3653 COc1ccc(cc1F)C=CC(C)O 271570a_200011019289_100000185480 [0,2,0,0,0,0|0,0,2]=4 2025 B14R1.3653 COc1ccc(cc1F)CCC(=O)C 1458a_100000234888_200000210301 [0,2,0,0,0,0|0,0,2]=4 2026 B14R1.3653 COc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100000234888_200025704644 [0,2,0,0,0,0|0,0,2]=4 2027 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 11a_100000737316_100015343762 [0,2,0,0,0,0|1,0,1]=4 2028 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 1626a_100000737316_100015343762 [0,2,0,0,0,0|1,0,1]=4 2029 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 240690a_100000737316_100015343762 [0,2,0,0,0,0|1,0,1]=4 2030 B14R1.3653 COc1ccc(cc1F)CNC(=O)C 527a_100000737316_100103153847 [0,2,0,0,0,0|1,0,1]=4 2031 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 2230a_100000740183_100000747473 [0,2,0,0,0,0|1,0,1]=4 2032 B14R1.3653 COc1ccc(cc1F)NCC(=O)N 34a_100000740183_100000187820 [0,2,0,0,0,0|1,0,1]=4 2033 B14R1.3653 COc1ccc(cc1F)NCC(=O)[O-] 34a_100000740183_100020667443 [0,2,0,0,0,0|1,0,1]=4 2034 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 34a_100000746305_100000187820 [0,2,0,0,0,0|1,0,1]=4 2035 B14R1.3653 COc1ccc(cc1F)OCC(=O)N 7a_100000746305_100000187820 [0,2,0,0,0,0|1,0,1]=4 2036 B14R1.3653 COc1ccc(cc1F)OCC(=O)[O-] 34a_100000746305_100020667443 [0,2,0,0,0,0|1,0,1]=4 2037 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000171752_100000747473 [0,2,0,0,0,0|1,0,1]=4 2038 B14R1.3653 COc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000171752 [0,2,0,0,0,0|1,0,1]=4 2039 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100000171752_100020667443 [0,2,0,0,0,0|1,0,1]=4 2040 B14R1.3653 COc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000171752 [0,2,0,0,0,0|1,0,1]=4 2041 B14R1.3653 COc1ccc(cc1I)NCC(=O)N 34a_100011356947_100000187820 [0,2,0,0,0,0|1,0,1]=4 2042 B14R1.3653 COc1ccc(cc1I)NCC(=O)[O-] 34a_100011356947_100020667443 [0,2,0,0,0,0|1,0,1]=4 2043 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 34a_100010084122_100000187820 [0,2,0,0,0,0|1,0,1]=4 2044 B14R1.3653 COc1ccc(cc1I)OCC(=O)N 7a_100010084122_100000187820 [0,2,0,0,0,0|1,0,1]=4 2045 B14R1.3653 COc1ccc(cc1I)OCC(=O)[O-] 34a_100010084122_100020667443 [0,2,0,0,0,0|1,0,1]=4 2046 B14R1.3653 COc1ccc(cc1N)C=CC(C)C 271570a_100016257149_100000743470 [0,2,0,0,0,0|1,0,1]=4 2047 B14R1.3653 COc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000743470 [0,2,0,0,0,0|0,0,2]=4 2048 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100000747473_100011249504 [0,2,0,0,0,0|1,0,1]=4 2049 B14R1.3653 COc1ccc(cc1N)SCC(=O)N 62a_100011249504_100000747473 [0,2,0,0,0,0|1,0,1]=4 2050 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100011249504_100020667443 [0,2,0,0,0,0|1,0,1]=4 2051 B14R1.3653 COc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011249504 [0,2,0,0,0,0|1,0,1]=4 2052 B14R1.3653 COc1ccc(cc1O)/C=C/C(=O)C 271570a_203496583355_200016254069 [0,2,0,0,0,0|0,0,0]=2 2053 B14R1.3653 COc1ccc(cc1O)C=CC(=O)C 1458a_100000184920_200000210301 [0,2,0,0,0,0|0,0,0]=2 2054 B14R1.3653 COc1ccc(cc1O)C=CC(=O)[13CH3] 1458a_100000184920_200025704644 [0,2,0,0,0,0|0,0,0]=2 2055 B14R1.3653 COc1ccc(cc1O)C=CC(C)C 271570a_100016257149_100009816560 [0,2,0,0,0,0|1,0,1]=4 2056 B14R1.3653 COc1ccc(cc1O)C=CC(C)O 271570a_200011019289_100009816560 [0,2,0,0,0,0|0,0,2]=4 2057 B14R1.3653 COc1ccc(cc1O)CCC(=O)C 1458a_100000746301_200000210301 [0,2,0,0,0,0|0,0,2]=4 2058 B14R1.3653 COc1ccc(cc1O)CCC(=O)[13CH3] 1458a_100000746301_200025704644 [0,2,0,0,0,0|0,0,2]=4 2059 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 240690a_100000740000_100015343762 [0,2,0,0,0,0|1,0,1]=4 2060 B14R1.3653 COc1ccc(cc1O)CNC(=O)C 527a_100000740000_100103153847 [0,2,0,0,0,0|1,0,1]=4 2061 B14R1.3653 COc1ccc(cc1O)NCC(=O)N 34a_100000211920_100000187820 [0,2,0,0,0,0|1,0,1]=4 2062 B14R1.3653 COc1ccc(cc1O)NCC(=O)[O-] 34a_100000211920_100020667443 [0,2,0,0,0,0|1,0,1]=4 2063 B14R1.3653 COc1ccc(cc1O)SCC(=O)N 62a_100000747473_100009816560 [0,2,0,0,0,0|1,0,1]=4 2064 B14R1.3653 COc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100009816560 [0,2,0,0,0,0|1,0,1]=4 2065 B14R1.6 COc1ccc(cc1)C=C(C#N)C#N 7a_100102610876_200000210301 [0,2,0,0,0,0|1,0,1]=4 2066 B14R1.6 COc1ccc(cc1)NC(C=O)C=O 34a_100000184247_100000736813 [0,2,0,0,0,0|1,0,1]=4 2067 B14R1.6 COc1ccc(cc1)OC(C=O)C=O 34a_100000210503_100000736813 [0,2,0,0,0,0|1,0,1]=4 2068 B14R1.6 COc1ccc(cc1)SC(C=O)C=O 62a_100000736813_100000171711 [0,2,0,0,0,0|1,0,1]=4 2069 B14R1.6 [13CH3]Oc1ccc(cc1)C=C(C#N)C#N 7a_100102610876_200025704644 [0,2,0,0,0,0|1,0,1]=4 2070 B14R1.7 C=CC(=O)N(C)c1ccc(cc1)OC 1626a_100000220023_100000185746 [0,2,0,0,0,0|2,0,0]=4 2071 B14R1.7 C=CC(=O)N(C)c1ccc(cc1)OC 22a_100000220023_100000185746 [0,2,0,0,0,0|2,0,0]=4 2072 B14R1.7 COC(=O)C(=O)c1ccc(cc1)OC 34a_100010658548_200000210301 [0,2,0,0,0,0|2,0,0]=4 2073 B14R1.7 COC(=O)C(=O)c1ccc(cc1)O[13CH3] 34a_100010658548_200025704644 [0,2,0,0,0,0|2,0,0]=4 2074 B14R1.24 C=CC(=O)Nc1ccc(cc1)COC 1626a_100000694113_100000185746 [0,2,0,0,0,0|2,0,0]=4 2075 B14R1.24 C=CC(=O)Nc1ccc(cc1)COC 22a_100000694113_100000185746 [0,2,0,0,0,0|2,0,0]=4 2076 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 1626a_100000739623_100000185746 [0,2,0,0,0,0|2,0,0]=4 2077 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 22a_100000739623_100000185746 [0,2,0,0,0,0|2,0,0]=4 2078 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCC 34a_100011235904_100000210202 [0,2,0,0,0,0|2,0,0]=4 2079 B14R1.24 C=CC(=O)Nc1ccc(cc1)OCF 34a_100011235904_100015361967 [0,2,0,0,0,0|2,0,0]=4 2080 B14R1.954 C=CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210623 [0,2,0,0,0,0|1,0,1]=4 2081 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210193 [0,2,0,0,0,0|1,0,1]=4 2082 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210193 [0,2,0,0,0,0|1,0,1]=4 2083 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210193 [0,2,0,0,0,0|1,0,1]=4 2084 B14R1.954 C=CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210193 [0,2,0,0,0,0|1,0,1]=4 2085 B14R1.954 CC=CC(=O)Cc1ccc(cc1)CC 1458a_100000210699_100000747183 [0,2,0,0,0,0|2,0,0]=4 2086 B14R1.954 CC=CC(=O)Cc1ccc(cc1)SC 1458a_100000210699_100000181263 [0,2,0,0,0,0|1,1,0]=4 2087 B14R1.954 CC=CC(=O)Cc1ccc(cn1)OC 1458a_100000210699_200000757186 [0,2,0,0,0,0|2,0,0]=4 2088 B14R1.954 CC=CC(=O)Cc1ccc(nc1)OC 1458a_100000210699_100020631284 [0,2,0,0,0,0|2,0,0]=4 2089 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210699 [0,2,0,0,0,0|2,0,0]=4 2090 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210699 [0,2,0,0,0,0|2,0,0]=4 2091 B14R1.954 CC=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210699 [0,2,0,0,0,0|2,0,0]=4 2092 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210699 [0,2,0,0,0,0|1,0,0]=3 2093 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210699 [0,2,0,0,0,0|1,0,0]=3 2094 B14R1.954 CC=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210699 [0,2,0,0,0,0|1,0,0]=3 2095 B14R1.954 CC=CC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210699 [0,2,0,0,0,0|1,1,0]=4 2096 B14R1.954 CC=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210699 [0,2,0,0,0,0|1,1,0]=4 2097 B14R1.954 CCc1ccc(cc1)CC(=O)C=CBr 1458a_100016273825_100000747183 [0,2,0,0,0,0|2,0,0]=4 2098 B14R1.954 CCc1ccc(cc1)CC(=O)C=CCl 1458a_200016279998_100000747183 [0,2,0,0,0,0|2,0,0]=4 2099 B14R1.954 CCc1ccc(cc1)CC(=O)C=CI 1458a_100016256311_100000747183 [0,2,0,0,0,0|2,0,0]=4 2100 B14R1.954 CCc1ccc(cc1)NC(=O)C=CBr 1626a_100000211069_100016273825 [0,2,0,0,0,0|2,0,0]=4 2101 B14R1.954 CCc1ccc(cc1)NC(=O)C=CCl 11a_100000211069_200016279998 [0,2,0,0,0,0|2,0,0]=4 2102 B14R1.954 CCc1ccc(cc1)NC(=O)C=CCl 1626a_100000211069_200016279998 [0,2,0,0,0,0|2,0,0]=4 2103 B14R1.954 CCc1ccc(cc1)NC(=O)C=CI 1626a_100000211069_100016256311 [0,2,0,0,0,0|2,0,0]=4 2104 B14R1.954 COc1ccc(cc1)CN(C)CC=O 2230a_100000184145_200015260668 [0,2,0,0,0,0|0,0,2]=4 2105 B14R1.954 COc1ccc(cc1)CN(C)CC=O 269982a_100000184145_200015260668 [0,2,0,0,0,0|0,0,2]=4 2106 B14R1.954 COc1ccc(cc1)NC(=O)C=CBr 1626a_100000184247_100016273825 [0,2,0,0,0,0|1,0,0]=3 2107 B14R1.954 COc1ccc(cc1)NC(=O)C=CCl 11a_100000184247_200016279998 [0,2,0,0,0,0|1,0,0]=3 2108 B14R1.954 COc1ccc(cc1)NC(=O)C=CCl 1626a_100000184247_200016279998 [0,2,0,0,0,0|1,0,0]=3 2109 B14R1.954 COc1ccc(cc1)NC(=O)C=CI 1626a_100000184247_100016256311 [0,2,0,0,0,0|1,0,0]=3 2110 B14R1.954 COc1ccc(cn1)CC(=O)C=CBr 1458a_100016273825_100020631284 [0,2,0,0,0,0|2,0,0]=4 2111 B14R1.954 COc1ccc(cn1)CC(=O)C=CCl 1458a_200016279998_100020631284 [0,2,0,0,0,0|2,0,0]=4 2112 B14R1.954 COc1ccc(cn1)CC(=O)C=CI 1458a_100016256311_100020631284 [0,2,0,0,0,0|2,0,0]=4 2113 B14R1.954 COc1ccc(nc1)CC(=O)C=CBr 1458a_100016273825_200000757186 [0,2,0,0,0,0|2,0,0]=4 2114 B14R1.954 COc1ccc(nc1)CC(=O)C=CCl 1458a_200016279998_200000757186 [0,2,0,0,0,0|2,0,0]=4 2115 B14R1.954 COc1ccc(nc1)CC(=O)C=CI 1458a_100016256311_200000757186 [0,2,0,0,0,0|2,0,0]=4 2116 B14R1.954 CSc1ccc(cc1)CC(=O)C=CBr 1458a_100016273825_100000181263 [0,2,0,0,0,0|1,1,0]=4 2117 B14R1.954 CSc1ccc(cc1)CC(=O)C=CCl 1458a_200016279998_100000181263 [0,2,0,0,0,0|1,1,0]=4 2118 B14R1.954 CSc1ccc(cc1)CC(=O)C=CI 1458a_100016256311_100000181263 [0,2,0,0,0,0|1,1,0]=4 2119 B14R1.954 CSc1ccc(cc1)NC(=O)C=CCl 11a_100000212337_200016279998 [0,2,0,0,0,0|1,1,0]=4 2120 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Br)OC 1458a_100000185746_200011397701 [0,2,0,0,0,0|1,0,1]=4 2121 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)C)OC 1458a_100000185746_200011290836 [0,2,0,0,0,0|1,0,1]=4 2122 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)Cl)OC 1458a_100000185746_100000693707 [0,2,0,0,0,0|1,0,1]=4 2123 B14R1.3276 C=CC(=O)Cc1ccc(c(c1)F)OC 1458a_100000185746_100000189595 [0,2,0,0,0,0|1,0,1]=4 2124 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Br)OC 1626a_100000187427_100000185746 [0,2,0,0,0,0|2,0,0]=4 2125 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Br)OC 22a_100000187427_100000185746 [0,2,0,0,0,0|2,0,0]=4 2126 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)C)OC 1626a_100000743268_100000185746 [0,2,0,0,0,0|2,0,0]=4 2127 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)C)OC 22a_100000743268_100000185746 [0,2,0,0,0,0|2,0,0]=4 2128 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)OC 1626a_100000211044_100000185746 [0,2,0,0,0,0|2,0,0]=4 2129 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)Cl)OC 22a_100000211044_100000185746 [0,2,0,0,0,0|2,0,0]=4 2130 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)OC 1626a_100000740183_100000185746 [0,2,0,0,0,0|2,0,0]=4 2131 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)F)OC 22a_100000740183_100000185746 [0,2,0,0,0,0|2,0,0]=4 2132 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)I)OC 1626a_100011356947_100000185746 [0,2,0,0,0,0|2,0,0]=4 2133 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)I)OC 22a_100011356947_100000185746 [0,2,0,0,0,0|2,0,0]=4 2134 B14R1.3276 C=CC(=O)Nc1ccc(c(c1)O)OC 22a_100000211920_100000185746 [0,2,0,0,0,0|2,0,0]=4 2135 B14R1.3276 COc1ccc(cc1Br)C=C(C)C#N 6a_100000173361_200000212204 [0,2,0,0,0,0|1,0,1]=4 2136 B14R1.3276 COc1ccc(cc1Br)C=C(F)C#N 6a_100000173361_200000032654 [0,2,0,0,0,0|1,0,1]=4 2137 B14R1.3276 COc1ccc(cc1C)C=C(C)C#N 6a_100000239718_200000212204 [0,2,0,0,0,0|1,0,1]=4 2138 B14R1.3276 COc1ccc(cc1C)C=C(F)C#N 6a_100000239718_200000032654 [0,2,0,0,0,0|1,0,1]=4 2139 B14R1.3276 COc1ccc(cc1Cl)C=C(C)C#N 6a_100000186747_200000212204 [0,2,0,0,0,0|1,0,1]=4 2140 B14R1.3276 COc1ccc(cc1Cl)C=C(F)C#N 6a_100000186747_200000032654 [0,2,0,0,0,0|1,0,1]=4 2141 B14R1.3276 COc1ccc(cc1F)C=C(C)C#N 6a_100000204617_200000212204 [0,2,0,0,0,0|1,0,1]=4 2142 B14R1.3276 COc1ccc(cc1F)C=C(F)C#N 6a_100000204617_200000032654 [0,2,0,0,0,0|1,0,1]=4 2143 B14R1.3276 COc1ccc(cc1I)C=C(C)C#N 6a_100009827998_200000212204 [0,2,0,0,0,0|1,0,1]=4 2144 B14R1.3276 COc1ccc(cc1I)C=C(F)C#N 6a_100009827998_200000032654 [0,2,0,0,0,0|1,0,1]=4 2145 B14R1.3714 C=CC(=O)Cc1ccc(cc1Br)OC 1458a_100000185746_100011982828 [0,2,0,0,0,0|1,0,1]=4 2146 B14R1.3714 C=CC(=O)Cc1ccc(cc1Cl)OC 1458a_100000185746_200011830453 [0,2,0,0,0,0|1,0,1]=4 2147 B14R1.3714 C=CC(=O)Cc1ccc(cc1F)OC 1458a_100000185746_100011260761 [0,2,0,0,0,0|1,0,1]=4 2148 B14R1.3714 C=CC(=O)Nc1ccc(cc1Br)OC 1626a_100015195136_100000185746 [0,2,0,0,0,0|2,0,0]=4 2149 B14R1.3714 C=CC(=O)Nc1ccc(cc1Br)OC 22a_100015195136_100000185746 [0,2,0,0,0,0|2,0,0]=4 2150 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)OC 1626a_100000750285_100000185746 [0,2,0,0,0,0|2,0,0]=4 2151 B14R1.3714 C=CC(=O)Nc1ccc(cc1C)OC 22a_100000750285_100000185746 [0,2,0,0,0,0|2,0,0]=4 2152 B14R1.3714 C=CC(=O)Nc1ccc(cc1Cl)OC 1626a_100000747055_100000185746 [0,2,0,0,0,0|2,0,0]=4 2153 B14R1.3714 C=CC(=O)Nc1ccc(cc1Cl)OC 22a_100000747055_100000185746 [0,2,0,0,0,0|2,0,0]=4 2154 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)OC 1626a_100011299463_100000185746 [0,2,0,0,0,0|2,0,0]=4 2155 B14R1.3714 C=CC(=O)Nc1ccc(cc1F)OC 22a_100011299463_100000185746 [0,2,0,0,0,0|2,0,0]=4 2156 B14R1.3714 C=CC(=O)Nc1ccc(cc1I)OC 1626a_100000049804_100000185746 [0,2,0,0,0,0|2,0,0]=4 2157 B14R1.3714 C=CC(=O)Nc1ccc(cc1I)OC 22a_100000049804_100000185746 [0,2,0,0,0,0|2,0,0]=4 2158 B14R1.3714 C=CC(=O)Nc1ccc(cc1O)OC 22a_100016989039_100000185746 [0,2,0,0,0,0|2,0,0]=4 2159 B14R1.3714 COc1ccc(c(c1)I)C=C(C)C#N 6a_100010159643_200000212204 [0,2,0,0,0,0|1,0,1]=4 2160 B14R1.3714 COc1ccc(c(c1)I)C=C(F)C#N 6a_100010159643_200000032654 [0,2,0,0,0,0|1,0,1]=4 2161 B14R1.65 COC(=O)c1ccc(cc1)OCC=O 34a_100000150123_200009817547 [0,2,0,0,0,0|1,0,1]=4 2162 B14R1.65 COC(=O)c1ccc(cc1)OCC=O 7a_100000150123_200015260668 [0,2,0,0,0,0|1,0,1]=4 2163 B14R1.65 COC(=O)c1ccc(cc1)SCC=O 62a_100000150774_200015260668 [0,2,0,0,0,0|1,0,1]=4 2164 B14R1.65 COC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000150774 [0,2,0,0,0,0|1,0,1]=4 2165 B14R1.65 COC(C)c1ccc(cc1)OCC=O 34a_200010658654_200009817547 [0,2,0,0,0,0|1,0,1]=4 2166 B14R1.65 COC(C)c1ccc(cc1)OCC=O 7a_200010658654_200015260668 [0,2,0,0,0,0|1,0,1]=4 2167 B14R1.65 COC(C)c1ccc(cc1)SCC=O 62a_100010254937_200015260668 [0,2,0,0,0,0|1,0,1]=4 2168 B14R1.65 COC(C)c1ccc(cc1)SCC=O 62a_200015260668_100010254937 [0,2,0,0,0,0|1,0,1]=4 2169 B14R1.463 C/C=C/CNc1ccc(cc1Br)OC 34a_100015195136_100102629194 [0,2,0,0,0,0|1,0,1]=4 2170 B14R1.463 C/C=C/CNc1ccc(cc1C)OC 34a_100000750285_100102629194 [0,2,0,0,0,0|1,0,1]=4 2171 B14R1.463 C/C=C/CNc1ccc(cc1Cl)OC 34a_100000747055_100102629194 [0,2,0,0,0,0|1,0,1]=4 2172 B14R1.463 C/C=C/CNc1ccc(cc1F)OC 34a_100011299463_100102629194 [0,2,0,0,0,0|1,0,1]=4 2173 B14R1.463 C/C=C/CNc1ccc(cc1I)OC 34a_100000049804_100102629194 [0,2,0,0,0,0|1,0,1]=4 2174 B14R1.463 C/C=C/CNc1ccc(cc1O)OC 34a_100016989039_100102629194 [0,2,0,0,0,0|1,0,1]=4 2175 B14R1.463 C/C=C/COc1ccc(cc1Br)OC 34a_100000685887_100102629194 [0,2,0,0,0,0|1,0,1]=4 2176 B14R1.463 C/C=C/COc1ccc(cc1Br)OC 7a_100000685887_100102629194 [0,2,0,0,0,0|1,0,1]=4 2177 B14R1.463 C/C=C/COc1ccc(cc1C)OC 34a_100012002223_100102629194 [0,2,0,0,0,0|1,0,1]=4 2178 B14R1.463 C/C=C/COc1ccc(cc1C)OC 7a_100012002223_100102629194 [0,2,0,0,0,0|1,0,1]=4 2179 B14R1.463 C/C=C/COc1ccc(cc1Cl)OC 34a_100000038596_100102629194 [0,2,0,0,0,0|1,0,1]=4 2180 B14R1.463 C/C=C/COc1ccc(cc1Cl)OC 7a_100000038596_100102629194 [0,2,0,0,0,0|1,0,1]=4 2181 B14R1.463 C/C=C/COc1ccc(cc1F)OC 34a_100000036999_100102629194 [0,2,0,0,0,0|1,0,1]=4 2182 B14R1.463 C/C=C/COc1ccc(cc1F)OC 7a_100000036999_100102629194 [0,2,0,0,0,0|1,0,1]=4 2183 B14R1.463 C/C=C/COc1ccc(cc1N)OC 34a_100000188146_100102629194 [0,2,0,0,0,0|1,0,1]=4 2184 B14R1.463 C/C=C/CSc1ccc(cc1Br)OC 62a_100012349170_100102629194 [0,2,0,0,0,0|1,0,1]=4 2185 B14R1.463 C/C=C/CSc1ccc(cc1Br)OC 62a_100102629194_100012349170 [0,2,0,0,0,0|1,0,1]=4 2186 B14R1.463 C/C=C/CSc1ccc(cc1C)OC 62a_100000759875_100102629194 [0,2,0,0,0,0|1,0,1]=4 2187 B14R1.463 C/C=C/CSc1ccc(cc1C)OC 62a_100102629194_100000759875 [0,2,0,0,0,0|1,0,1]=4 2188 B14R1.463 C/C=C/CSc1ccc(cc1F)OC 62a_100000753793_100102629194 [0,2,0,0,0,0|1,0,1]=4 2189 B14R1.463 C/C=C/CSc1ccc(cc1F)OC 62a_100102629194_100000753793 [0,2,0,0,0,0|1,0,1]=4 2190 B14R1.463 C/C=C/CSc1ccc(cc1N)OC 62a_100000748021_100102629194 [0,2,0,0,0,0|1,0,1]=4 2191 B14R1.463 C/C=C/CSc1ccc(cc1N)OC 62a_100102629194_100000748021 [0,2,0,0,0,0|1,0,1]=4 2192 B14R1.463 C/C=C/CSc1ccc(cc1O)OC 62a_100102629194_100000719091 [0,2,0,0,0,0|1,0,1]=4 2193 B14R1.463 CC=CCNc1ccc(cc1Br)OC 34a_100015195136_100000070051 [0,2,0,0,0,0|1,0,1]=4 2194 B14R1.463 CC=CCNc1ccc(cc1C)OC 34a_100000750285_100000070051 [0,2,0,0,0,0|1,0,1]=4 2195 B14R1.463 CC=CCNc1ccc(cc1Cl)OC 34a_100000747055_100000070051 [0,2,0,0,0,0|1,0,1]=4 2196 B14R1.463 CC=CCNc1ccc(cc1F)OC 34a_100011299463_100000070051 [0,2,0,0,0,0|1,0,1]=4 2197 B14R1.463 CC=CCNc1ccc(cc1I)OC 34a_100000049804_100000070051 [0,2,0,0,0,0|1,0,1]=4 2198 B14R1.463 CC=CCNc1ccc(cc1O)OC 34a_100016989039_100000070051 [0,2,0,0,0,0|1,0,1]=4 2199 B14R1.463 CC=CCOc1ccc(cc1Br)OC 34a_100000685887_100000070051 [0,2,0,0,0,0|1,0,1]=4 2200 B14R1.463 CC=CCOc1ccc(cc1Br)OC 7a_100000685887_100000070051 [0,2,0,0,0,0|1,0,1]=4 2201 B14R1.463 CC=CCOc1ccc(cc1C)OC 34a_100012002223_100000070051 [0,2,0,0,0,0|1,0,1]=4 2202 B14R1.463 CC=CCOc1ccc(cc1C)OC 7a_100012002223_100000070051 [0,2,0,0,0,0|1,0,1]=4 2203 B14R1.463 CC=CCOc1ccc(cc1Cl)OC 34a_100000038596_100000070051 [0,2,0,0,0,0|1,0,1]=4 2204 B14R1.463 CC=CCOc1ccc(cc1Cl)OC 7a_100000038596_100000070051 [0,2,0,0,0,0|1,0,1]=4 2205 B14R1.463 CC=CCOc1ccc(cc1F)OC 34a_100000036999_100000070051 [0,2,0,0,0,0|1,0,1]=4 2206 B14R1.463 CC=CCOc1ccc(cc1F)OC 7a_100000036999_100000070051 [0,2,0,0,0,0|1,0,1]=4 2207 B14R1.463 CC=CCOc1ccc(cc1N)OC 34a_100000188146_100000070051 [0,2,0,0,0,0|1,0,1]=4 2208 B14R1.463 CC=CCSc1ccc(cc1Br)OC 62a_100000070051_100012349170 [0,2,0,0,0,0|1,0,1]=4 2209 B14R1.463 CC=CCSc1ccc(cc1Br)OC 62a_100012349170_100000070051 [0,2,0,0,0,0|1,0,1]=4 2210 B14R1.463 CC=CCSc1ccc(cc1C)OC 62a_100000070051_100000759875 [0,2,0,0,0,0|1,0,1]=4 2211 B14R1.463 CC=CCSc1ccc(cc1C)OC 62a_100000759875_100000070051 [0,2,0,0,0,0|1,0,1]=4 2212 B14R1.463 CC=CCSc1ccc(cc1F)OC 62a_100000070051_100000753793 [0,2,0,0,0,0|1,0,1]=4 2213 B14R1.463 CC=CCSc1ccc(cc1F)OC 62a_100000753793_100000070051 [0,2,0,0,0,0|1,0,1]=4 2214 B14R1.463 CC=CCSc1ccc(cc1N)OC 62a_100000070051_100000748021 [0,2,0,0,0,0|1,0,1]=4 2215 B14R1.463 CC=CCSc1ccc(cc1N)OC 62a_100000748021_100000070051 [0,2,0,0,0,0|1,0,1]=4 2216 B14R1.463 CC=CCSc1ccc(cc1O)OC 62a_100000070051_100000719091 [0,2,0,0,0,0|1,0,1]=4 2217 B14R1.463 CCCC=Cc1ccc(cc1Br)OC 271570a_100016258520_100012349170 [0,2,0,0,0,0|1,0,1]=4 2218 B14R1.463 CCCC=Cc1ccc(cc1C)OC 271570a_100016258520_100000759875 [0,2,0,0,0,0|1,0,1]=4 2219 B14R1.463 CCCC=Cc1ccc(cc1F)OC 271570a_100016258520_100000753793 [0,2,0,0,0,0|1,0,1]=4 2220 B14R1.463 CCCC=Cc1ccc(cc1N)OC 271570a_100016258520_100000748021 [0,2,0,0,0,0|1,0,1]=4 2221 B14R1.463 CCCC=Cc1ccc(cc1O)OC 271570a_100016258520_100000719091 [0,2,0,0,0,0|1,0,1]=4 2222 B14R1.463 CCOC=Cc1ccc(cc1Br)OC 271570a_100016256518_100012349170 [0,2,0,0,0,0|1,0,1]=4 2223 B14R1.463 CCOC=Cc1ccc(cc1C)OC 271570a_100016256518_100000759875 [0,2,0,0,0,0|1,0,1]=4 2224 B14R1.463 CCOC=Cc1ccc(cc1F)OC 271570a_100016256518_100000753793 [0,2,0,0,0,0|1,0,1]=4 2225 B14R1.463 CCOC=Cc1ccc(cc1N)OC 271570a_100016256518_100000748021 [0,2,0,0,0,0|1,0,1]=4 2226 B14R1.463 CCOC=Cc1ccc(cc1O)OC 271570a_100016256518_100000719091 [0,2,0,0,0,0|1,0,1]=4 2227 B14R1.463 COCC=Cc1ccc(cc1Br)OC 271570a_100016286323_100012349170 [0,2,0,0,0,0|0,0,2]=4 2228 B14R1.463 COCC=Cc1ccc(cc1C)OC 271570a_100016286323_100000759875 [0,2,0,0,0,0|0,0,2]=4 2229 B14R1.463 COCC=Cc1ccc(cc1F)OC 271570a_100016286323_100000753793 [0,2,0,0,0,0|0,0,2]=4 2230 B14R1.463 COCC=Cc1ccc(cc1N)OC 271570a_100016286323_100000748021 [0,2,0,0,0,0|0,0,2]=4 2231 B14R1.463 COCC=Cc1ccc(cc1O)OC 271570a_100016286323_100000719091 [0,2,0,0,0,0|0,0,2]=4 2232 B14R1.463 COc1ccc(c(c1)Br)COCC=O 34a_100011982768_200009817547 [0,2,0,0,0,0|0,0,2]=4 2233 B14R1.463 COc1ccc(c(c1)Br)COCC=O 7a_100011982768_200015260668 [0,2,0,0,0,0|0,0,2]=4 2234 B14R1.463 COc1ccc(c(c1)Br)CSCC=O 62a_100011982828_200015260668 [0,2,0,0,0,0|0,0,2]=4 2235 B14R1.463 COc1ccc(c(c1)Br)CSCC=O 62a_200015260668_100011982828 [0,2,0,0,0,0|0,0,2]=4 2236 B14R1.463 COc1ccc(c(c1)Cl)CNCC=O 34a_100138410423_200009817547 [0,2,0,0,0,0|0,0,2]=4 2237 B14R1.463 COc1ccc(c(c1)Cl)COCC=O 34a_100011982767_200009817547 [0,2,0,0,0,0|0,0,2]=4 2238 B14R1.463 COc1ccc(c(c1)Cl)COCC=O 7a_100011982767_200015260668 [0,2,0,0,0,0|0,0,2]=4 2239 B14R1.463 COc1ccc(c(c1)Cl)CSCC=O 62a_200011830453_200015260668 [0,2,0,0,0,0|0,0,2]=4 2240 B14R1.463 COc1ccc(c(c1)Cl)CSCC=O 62a_200015260668_200011830453 [0,2,0,0,0,0|0,0,2]=4 2241 B14R1.463 COc1ccc(c(c1)F)CNCC=O 34a_100000687396_200009817547 [0,2,0,0,0,0|0,0,2]=4 2242 B14R1.463 COc1ccc(c(c1)F)COCC=O 34a_100011830421_200009817547 [0,2,0,0,0,0|0,0,2]=4 2243 B14R1.463 COc1ccc(c(c1)F)COCC=O 7a_100011830421_200015260668 [0,2,0,0,0,0|0,0,2]=4 2244 B14R1.463 COc1ccc(c(c1)F)CSCC=O 62a_100011260761_200015260668 [0,2,0,0,0,0|0,0,2]=4 2245 B14R1.463 COc1ccc(c(c1)F)CSCC=O 62a_200015260668_100011260761 [0,2,0,0,0,0|0,0,2]=4 2246 B14R1.463 COc1ccc(c(c1)N)COCC=O 34a_100011998734_200009817547 [0,2,0,0,0,0|0,0,2]=4 2247 B14R1.1355 CCc1cc(ccc1SCC=O)OC 62a_100000720562_200015260668 [0,2,0,0,0,0|1,0,1]=4 2248 B14R1.1355 CCc1cc(ccc1SCC=O)OC 62a_200015260668_100000720562 [0,2,0,0,0,0|1,0,1]=4 2249 B14R1.1355 COc1ccc(c(c1)C#N)NCC=O 34a_100011997231_200009817547 [0,2,0,0,0,0|1,0,1]=4 2250 B14R1.1355 COc1ccc(c(c1)C#N)OCC=O 34a_200011934229_200009817547 [0,2,0,0,0,0|1,0,1]=4 2251 B14R1.1355 COc1ccc(c(c1)C#N)OCC=O 7a_200011934229_200015260668 [0,2,0,0,0,0|1,0,1]=4 2252 B14R1.1355 COc1ccc(c(c1)C#N)SCC=O 62a_200015260668_100000748272 [0,2,0,0,0,0|1,0,1]=4 2253 B14R1.1355 COc1ccc(c(c1)C=O)SCC=O 62a_100000691568_200015260668 [0,2,0,0,0,0|1,0,1]=4 2254 B14R1.1355 COc1ccc(c(c1)C=O)SCC=O 62a_200015260668_100000691568 [0,2,0,0,0,0|1,0,1]=4 2255 B14R1.1355 COc1ccc(c(c1)CN)SCC=O 62a_100000741592_200015260668 [0,2,0,0,0,0|1,0,1]=4 2256 B14R1.1355 COc1ccc(c(c1)CN)SCC=O 62a_200015260668_100000741592 [0,2,0,0,0,0|1,0,1]=4 2257 B14R1.1355 COc1ccc(c(c1)CO)NCC=O 34a_100012001277_200009817547 [0,2,0,0,0,0|1,0,1]=4 2258 B14R1.1355 COc1ccc(c(c1)CO)SCC=O 62a_200011273942_200015260668 [0,2,0,0,0,0|1,0,1]=4 2259 B14R1.1355 COc1ccc(c(c1)CO)SCC=O 62a_200015260668_200011273942 [0,2,0,0,0,0|1,0,1]=4 2260 B14R1.1355 COc1ccc(c(c1)OC)NCC=O 2230a_100000211191_200015260668 [0,2,0,0,0,0|1,0,1]=4 2261 B14R1.1355 COc1ccc(c(c1)OC)NCC=O 34a_100000211191_200009817547 [0,2,0,0,0,0|1,0,1]=4 2262 B14R1.1355 COc1ccc(c(c1)OC)OCC=O 34a_100009840267_200009817547 [0,2,0,0,0,0|1,0,1]=4 2263 B14R1.1355 COc1ccc(c(c1)OC)SCC=O 62a_100000750026_200015260668 [0,2,0,0,0,0|1,0,1]=4 2264 B14R1.1355 COc1ccc(c(c1)OC)SCC=O 62a_200015260668_100000750026 [0,2,0,0,0,0|1,0,1]=4 2265 B14R1.1356 CCOc1ccc(c(c1)C)NCC=O 2230a_100000742753_200015260668 [0,2,0,0,0,0|1,0,1]=4 2266 B14R1.1356 CCOc1ccc(c(c1)C)NCC=O 34a_100000742753_200009817547 [0,2,0,0,0,0|1,0,1]=4 2267 B14R1.1356 CCOc1ccc(c(c1)C)SCC=O 62a_200015260668_100012344538 [0,2,0,0,0,0|1,0,1]=4 2268 B14R1.1356 CCOc1ccc(c(c1)F)NCC=O 2230a_100015186438_200015260668 [0,2,0,0,0,0|1,0,1]=4 2269 B14R1.1356 CCOc1ccc(c(c1)F)NCC=O 34a_100015186438_200009817547 [0,2,0,0,0,0|1,0,1]=4 2270 B14R1.1356 CCOc1ccc(c(c1)F)SCC=O 62a_100000692347_200015260668 [0,2,0,0,0,0|1,0,1]=4 2271 B14R1.1356 CCOc1ccc(c(c1)F)SCC=O 62a_200015260668_100000692347 [0,2,0,0,0,0|1,0,1]=4 2272 B14R1.1356 COCc1ccc(c(c1)F)SCC=O 62a_100010177442_200015260668 [0,2,0,0,0,0|1,0,1]=4 2273 B14R1.1356 COCc1ccc(c(c1)F)SCC=O 62a_200015260668_100010177442 [0,2,0,0,0,0|1,0,1]=4 2274 B14R1.1356 COCc1ccc(c(c1)N)SCC=O 62a_200013033220_200015260668 [0,2,0,0,0,0|1,0,1]=4 2275 B14R1.1356 COCc1ccc(c(c1)N)SCC=O 62a_200015260668_200013033220 [0,2,0,0,0,0|1,0,1]=4 2276 B14R1.1361 COc1ccc(c(c1C)C)NCC=O 2230a_100025755787_200015260668 [0,2,0,0,0,0|1,0,1]=4 2277 B14R1.1361 COc1ccc(c(c1C)C)NCC=O 34a_100025755787_200009817547 [0,2,0,0,0,0|1,0,1]=4 2278 B14R1.1361 COc1ccc(c(c1C)C)NCC=O 7a_100025755787_200015260668 [0,2,0,0,0,0|1,0,1]=4 2279 B14R1.1361 COc1ccc(c(c1C)C)SCC=O 62a_100000049725_200015260668 [0,2,0,0,0,0|1,0,1]=4 2280 B14R1.1361 COc1ccc(c(c1C)C)SCC=O 62a_200015260668_100000049725 [0,2,0,0,0,0|1,0,1]=4 2281 B14R1.1361 COc1ccc(c(c1F)F)NCC=O 2230a_100000062114_200015260668 [0,2,0,0,0,0|1,0,1]=4 2282 B14R1.1361 COc1ccc(c(c1F)F)NCC=O 34a_100000062114_200009817547 [0,2,0,0,0,0|1,0,1]=4 2283 B14R1.1361 COc1ccc(c(c1F)F)OCC=O 34a_100000034963_200009817547 [0,2,0,0,0,0|1,0,1]=4 2284 B14R1.1361 COc1ccc(c(c1F)F)OCC=O 7a_100000034963_200015260668 [0,2,0,0,0,0|1,0,1]=4 2285 B14R1.1361 COc1ccc(c(c1F)F)SCC=O 62a_100009816879_200015260668 [0,2,0,0,0,0|1,0,1]=4 2286 B14R1.1361 COc1ccc(c(c1F)F)SCC=O 62a_200015260668_100009816879 [0,2,0,0,0,0|1,0,1]=4 2287 B14R1.4436 COc1cc(c(cc1Br)NCC=O)C 34a_106657271712_200009817547 [0,2,0,0,0,0|1,0,1]=4 2288 B14R1.4436 COc1cc(c(cc1Br)NCC=O)C 7a_106657271712_200015260668 [0,2,0,0,0,0|1,0,1]=4 2289 B14R1.4436 COc1cc(c(cc1C)NCC=O)Br 34a_200010584344_200009817547 [0,2,0,0,0,0|1,0,1]=4 2290 B14R1.4436 COc1cc(c(cc1C)NCC=O)Br 7a_200010584344_200015260668 [0,2,0,0,0,0|1,0,1]=4 2291 B14R1.4436 COc1cc(c(cc1C)SCC=O)C 62a_100000698960_200015260668 [0,2,0,0,0,0|1,0,1]=4 2292 B14R1.4436 COc1cc(c(cc1C)SCC=O)C 62a_200015260668_100000698960 [0,2,0,0,0,0|1,0,1]=4 2293 B14R1.4436 COc1cc(c(cc1C)SCC=O)N 62a_100010244135_200015260668 [0,2,0,0,0,0|1,0,1]=4 2294 B14R1.4436 COc1cc(c(cc1C)SCC=O)N 62a_200015260668_100010244135 [0,2,0,0,0,0|1,0,1]=4 2295 B14R1.4436 COc1cc(c(cc1Cl)NCC=O)C 34a_100012039520_200009817547 [0,2,0,0,0,0|1,0,1]=4 2296 B14R1.4436 COc1cc(c(cc1Cl)NCC=O)C 7a_100012039520_200015260668 [0,2,0,0,0,0|1,0,1]=4 2297 B14R1.4436 COc1cc(c(cc1Cl)NCC=O)Cl 34a_100011935304_200009817547 [0,2,0,0,0,0|1,0,1]=4 2298 B14R1.4436 COc1cc(c(cc1F)NCC=O)Br 34a_100010365326_200009817547 [0,2,0,0,0,0|1,0,1]=4 2299 B14R1.4436 COc1cc(c(cc1F)SCC=O)C 62a_100010074640_200015260668 [0,2,0,0,0,0|1,0,1]=4 2300 B14R1.4436 COc1cc(c(cc1F)SCC=O)C 62a_200015260668_100010074640 [0,2,0,0,0,0|1,0,1]=4 2301 B14R1.4436 COc1cc(c(cc1F)SCC=O)F 62a_100009813720_200015260668 [0,2,0,0,0,0|1,0,1]=4 2302 B14R1.4436 COc1cc(c(cc1F)SCC=O)F 62a_200015260668_100009813720 [0,2,0,0,0,0|1,0,1]=4 2303 B14R1.4436 COc1cc(c(cc1F)SCC=O)N 62a_100010208193_200015260668 [0,2,0,0,0,0|1,0,1]=4 2304 B14R1.4436 COc1cc(c(cc1F)SCC=O)N 62a_200015260668_100010208193 [0,2,0,0,0,0|1,0,1]=4 2305 B14R1.4436 COc1cc(c(cc1N)SCC=O)Cl 62a_100011011177_200015260668 [0,2,0,0,0,0|1,0,1]=4 2306 B14R1.4436 COc1cc(c(cc1N)SCC=O)Cl 62a_200015260668_100011011177 [0,2,0,0,0,0|1,0,1]=4 2307 B14R1.4436 COc1cc(c(cc1N)SCC=O)F 62a_100012361397_200015260668 [0,2,0,0,0,0|1,0,1]=4 2308 B14R1.4436 COc1cc(c(cc1N)SCC=O)F 62a_200015260668_100012361397 [0,2,0,0,0,0|1,0,1]=4 2309 B14R1.7234 C=CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210623 [0,2,0,0,0,0|1,0,1]=4 2310 B14R1.7234 C=CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210623 [0,2,0,0,0,0|1,0,1]=4 2311 B14R1.7234 C=CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210623 [0,2,0,0,0,0|1,0,1]=4 2312 B14R1.7234 C=CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210623 [0,2,0,0,0,0|1,0,1]=4 2313 B14R1.7234 C=CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210623 [0,2,0,0,0,0|1,0,1]=4 2314 B14R1.7234 C=CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210623 [0,2,0,0,0,0|1,0,1]=4 2315 B14R1.7234 COc1ccc(c(c1)C)N(C)CC=O 2230a_103496583619_200015260668 [0,2,0,0,0,0|1,0,1]=4 2316 B14R1.7234 COc1ccc(c(c1)C)N(C)CC=O 269982a_103496583619_200015260668 [0,2,0,0,0,0|1,0,1]=4 2317 B14R1.7234 COc1ccc(c(c1)C)N(C)CC=O 34a_103496583619_200009817547 [0,2,0,0,0,0|1,0,1]=4 2318 B14R1.7407 COc1cc(c(c(c1)Br)NCC=O)Br 34a_100009997310_200009817547 [0,2,0,0,0,0|1,0,1]=4 2319 B14R1.7407 COc1cc(c(c(c1)Br)NCC=O)C 34a_200011010636_200009817547 [0,2,0,0,0,0|1,0,1]=4 2320 B14R1.7407 COc1cc(c(c(c1)Br)OCC=O)N 34a_200010008348_200009817547 [0,2,0,0,0,0|1,0,1]=4 2321 B14R1.7407 COc1cc(c(c(c1)C)NCC=O)C 34a_100009848961_200009817547 [0,2,0,0,0,0|1,0,1]=4 2322 B14R1.7407 COc1cc(c(c(c1)C)OCC=O)C 34a_100010658422_200009817547 [0,2,0,0,0,0|1,0,1]=4 2323 B14R1.7407 COc1cc(c(c(c1)C)OCC=O)C 7a_100010658422_200015260668 [0,2,0,0,0,0|1,0,1]=4 2324 B14R1.7407 COc1cc(c(c(c1)C)SCC=O)C 62a_100012160682_200015260668 [0,2,0,0,0,0|1,0,1]=4 2325 B14R1.7407 COc1cc(c(c(c1)C)SCC=O)C 62a_200015260668_100012160682 [0,2,0,0,0,0|1,0,1]=4 2326 B14R1.7407 COc1cc(c(c(c1)Cl)NCC=O)Cl 34a_100000074854_200009817547 [0,2,0,0,0,0|1,0,1]=4 2327 B14R1.7407 COc1cc(c(c(c1)F)NCC=O)F 34a_100011383474_200009817547 [0,2,0,0,0,0|1,0,1]=4 2328 B14R1.7407 COc1cc(c(c(c1)F)OCC=O)F 34a_100000062060_200009817547 [0,2,0,0,0,0|1,0,1]=4 2329 B14R1.7407 COc1cc(c(c(c1)F)OCC=O)F 7a_100000062060_200015260668 [0,2,0,0,0,0|1,0,1]=4 2330 B14R1.7407 COc1cc(c(c(c1)F)SCC=O)F 62a_100011218311_200015260668 [0,2,0,0,0,0|1,0,1]=4 2331 B14R1.7407 COc1cc(c(c(c1)F)SCC=O)F 62a_200015260668_100011218311 [0,2,0,0,0,0|1,0,1]=4 2332 B14R1.25 C=CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210623 [0,2,0,0,0,0|1,0,1]=4 2333 B14R1.25 C=CCC(=O)c1ccc(cc1)OCC 1458a_100000181891_100000210623 [0,2,0,0,0,0|1,0,1]=4 2334 B14R1.25 CCOc1ccc(cc1)N(C)CC=O 2230a_100025784348_200015260668 [0,2,0,0,0,0|1,0,1]=4 2335 B14R1.25 CCOc1ccc(cc1)N(C)CC=O 269982a_100025784348_200015260668 [0,2,0,0,0,0|1,0,1]=4 2336 B14R1.25 CCOc1ccc(cc1)N(C)CC=O 34a_100025784348_200009817547 [0,2,0,0,0,0|1,0,1]=4 2337 B14R1.25 CCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_100000210202_200020603514 [0,2,0,0,0,0|0,1,0]=3 2338 B14R1.25 CCSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_100000210202 [0,2,0,0,0,0|0,1,0]=3 2339 B14R1.25 O=C/C=C(/Cl)\c1ccc(cc1)SCF 62a_100015361967_200020603514 [0,2,0,0,0,0|0,1,0]=3 2340 B14R1.25 O=C/C=C(/Cl)\c1ccc(cc1)SCF 62a_200020603514_100015361967 [0,2,0,0,0,0|0,1,0]=3 2341 B14R1.68 CC(=O)Oc1ccc(cc1)SCC=O 62a_200015260668_100000002173 [0,2,0,0,0,0|1,0,1]=4 2342 B14R1.68 CC(=S)Oc1ccc(cc1)SCC=O 62a_200015260668_200009816735 [0,2,0,0,0,0|1,0,1]=4 2343 B14R1.68 CC(C)Oc1ccc(cc1)NCC=O 2230a_100011194259_200015260668 [0,2,0,0,0,0|1,0,1]=4 2344 B14R1.68 CC(C)Oc1ccc(cc1)NCC=O 34a_100011194259_200009817547 [0,2,0,0,0,0|1,0,1]=4 2345 B14R1.68 CC(C)Oc1ccc(cc1)OCC=O 34a_100000757185_200009817547 [0,2,0,0,0,0|1,0,1]=4 2346 B14R1.68 CC(C)Oc1ccc(cc1)OCC=O 7a_100000757185_200015260668 [0,2,0,0,0,0|1,0,1]=4 2347 B14R1.68 CC(C)Oc1ccc(cc1)SCC=O 62a_100000169947_200015260668 [0,2,0,0,0,0|1,0,1]=4 2348 B14R1.68 CC(C)Oc1ccc(cc1)SCC=O 62a_200015260668_100000169947 [0,2,0,0,0,0|1,0,1]=4 2349 B14R1.68 CC(C)Sc1ccc(cc1)/C=C/C=O 62a_100000210206_100016291818 [0,2,0,0,0,0|0,1,0]=3 2350 B14R1.68 CC(C)Sc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210206 [0,2,0,0,0,0|0,1,0]=3 2351 B14R1.68 O=CCNc1ccc(cc1)OC(F)F 2230a_100000183591_200015260668 [0,2,0,0,0,0|1,0,1]=4 2352 B14R1.68 O=CCNc1ccc(cc1)OC(F)F 34a_100000183591_200009817547 [0,2,0,0,0,0|1,0,1]=4 2353 B14R1.68 O=CCOc1ccc(cc1)OC(F)F 34a_100011217645_200009817547 [0,2,0,0,0,0|1,0,1]=4 2354 B14R1.68 O=CCOc1ccc(cc1)OC(F)F 7a_100011217645_200015260668 [0,2,0,0,0,0|1,0,1]=4 2355 B14R1.68 O=CCSc1ccc(cc1)OC(F)F 62a_100000179047_200015260668 [0,2,0,0,0,0|1,0,1]=4 2356 B14R1.68 O=CCSc1ccc(cc1)OC(F)F 62a_200015260668_100000179047 [0,2,0,0,0,0|1,0,1]=4 2357 B14R1.70 C#CCOc1ccc(cc1)NCC=O 2230a_100000753246_200015260668 [0,2,0,0,0,0|1,0,1]=4 2358 B14R1.70 C#CCOc1ccc(cc1)NCC=O 34a_100000753246_200009817547 [0,2,0,0,0,0|1,0,1]=4 2359 B14R1.70 C#CCSc1ccc(cc1)/C=C/C=O 62a_100000038162_100016291818 [0,2,0,0,0,0|0,1,0]=3 2360 B14R1.70 C=CCOc1ccc(cc1)SCC=O 62a_100000172055_200015260668 [0,2,0,0,0,0|1,0,1]=4 2361 B14R1.70 C=CCOc1ccc(cc1)SCC=O 62a_200015260668_100000172055 [0,2,0,0,0,0|1,0,1]=4 2362 B14R1.70 C=CCSc1ccc(cc1)/C=C/C=O 62a_100000210623_100016291818 [0,2,0,0,0,0|0,1,0]=3 2363 B14R1.70 C=CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210623 [0,2,0,0,0,0|0,1,0]=3 2364 B14R1.70 CCCOc1ccc(cc1)NCC=O 34a_100000748631_200009817547 [0,2,0,0,0,0|1,0,1]=4 2365 B14R1.70 CCCOc1ccc(cc1)OCC=O 34a_100000185468_200009817547 [0,2,0,0,0,0|1,0,1]=4 2366 B14R1.70 CCCOc1ccc(cc1)OCC=O 7a_100000185468_200015260668 [0,2,0,0,0,0|1,0,1]=4 2367 B14R1.70 CCCOc1ccc(cc1)SCC=O 62a_100000169948_200015260668 [0,2,0,0,0,0|1,0,1]=4 2368 B14R1.70 CCCOc1ccc(cc1)SCC=O 62a_200015260668_100000169948 [0,2,0,0,0,0|1,0,1]=4 2369 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100000210303_100016291818 [0,2,0,0,0,0|0,1,0]=3 2370 B14R1.70 CCCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210303 [0,2,0,0,0,0|0,1,0]=3 2371 B14R1.70 CCOCc1ccc(cc1)SCC=O 62a_100000758564_200015260668 [0,2,0,0,0,0|1,0,1]=4 2372 B14R1.70 CCOCc1ccc(cc1)SCC=O 62a_200015260668_100000758564 [0,2,0,0,0,0|1,0,1]=4 2373 B14R1.70 COC=Cc1ccc(cc1)SCC=O 62a_100020630460_200015260668 [0,2,0,0,0,0|1,0,1]=4 2374 B14R1.70 COC=Cc1ccc(cc1)SCC=O 62a_200015260668_100020630460 [0,2,0,0,0,0|1,0,1]=4 2375 B14R1.70 COC=Cc1ccc(cc1)SCOC 62a_100000766300_100020630460 [0,2,0,0,0,0|2,0,0]=4 2376 B14R1.70 COC=Cc1ccc(cc1)SCOC 62a_100020630460_100000766300 [0,2,0,0,0,0|2,0,0]=4 2377 B14R1.70 COCCc1ccc(cc1)OCC=O 34a_100000211638_200009817547 [0,2,0,0,0,0|1,0,1]=4 2378 B14R1.70 COCCc1ccc(cc1)OCC=O 7a_100000211638_200015260668 [0,2,0,0,0,0|1,0,1]=4 2379 B14R1.70 COCCc1ccc(cc1)SCC=O 62a_100000739703_200015260668 [0,2,0,0,0,0|1,0,1]=4 2380 B14R1.70 COCCc1ccc(cc1)SCC=O 62a_200015260668_100000739703 [0,2,0,0,0,0|1,0,1]=4 2381 B14R1.70 COCOc1ccc(cc1)OCC=O 34a_200012265912_200009817547 [0,2,0,0,0,0|1,0,1]=4 2382 B14R1.70 COCOc1ccc(cc1)SCC=O 62a_100012265687_200015260668 [0,2,0,0,0,0|1,0,1]=4 2383 B14R1.70 COCOc1ccc(cc1)SCC=O 62a_200015260668_100012265687 [0,2,0,0,0,0|1,0,1]=4 2384 B14R1.70 COCSc1ccc(cc1)/C=C/C=O 62a_100000766300_100016291818 [0,2,0,0,0,0|0,0,0]=2 2385 B14R1.70 COCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000766300 [0,2,0,0,0,0|0,0,0]=2 2386 B14R1.70 COCSc1ccc(cc1)CCC=O 62a_100000766300_100011361538 [0,2,0,0,0,0|0,0,2]=4 2387 B14R1.70 COCSc1ccc(cc1)CCC=O 62a_100011361538_100000766300 [0,2,0,0,0,0|0,0,2]=4 2388 B14R1.70 CSCSc1ccc(cc1)/C=C/C=O 62a_100011218213_100016291818 [0,2,0,0,0,0|0,1,0]=3 2389 B14R1.70 CSCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011218213 [0,2,0,0,0,0|0,1,0]=3 2390 B14R1.70 N#CCOc1ccc(cc1)SCC=O 62a_200000169425_200015260668 [0,2,0,0,0,0|1,0,1]=4 2391 B14R1.70 N#CCOc1ccc(cc1)SCC=O 62a_200015260668_200000169425 [0,2,0,0,0,0|1,0,1]=4 2392 B14R1.70 N#CCSc1ccc(cc1)/C=C/C=O 62a_100011215382_100016291818 [0,2,0,0,0,0|0,1,0]=3 2393 B14R1.70 N#CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100011215382 [0,2,0,0,0,0|0,1,0]=3 2394 B14R1.70 NCCOc1ccc(cc1)SCC=O 62a_100000746992_200015260668 [0,2,0,0,0,0|1,0,1]=4 2395 B14R1.70 NCCOc1ccc(cc1)SCC=O 62a_200015260668_100000746992 [0,2,0,0,0,0|1,0,1]=4 2396 B14R1.70 O=C/C=C/c1ccc(cc1)SCC=O 62a_100016291818_200015260668 [0,2,0,0,0,0|0,1,0]=3 2397 B14R1.70 O=C/C=C/c1ccc(cc1)SCC=O 62a_200015260668_100016291818 [0,2,0,0,0,0|0,1,0]=3 2398 B14R1.70 O=C/C=C/c1ccc(cc1)SCCF 62a_100011217306_100016291818 [0,2,0,0,0,0|0,1,0]=3 2399 B14R1.70 O=C/C=C/c1ccc(cc1)SCCF 62a_100016291818_100011217306 [0,2,0,0,0,0|0,1,0]=3 2400 B14R1.70 O=C/C=C/c1ccc(cc1)SCCO 62a_100000211926_100016291818 [0,2,0,0,0,0|0,1,0]=3 2401 B14R1.70 O=C/C=C/c1ccc(cc1)SCCO 62a_100016291818_100000211926 [0,2,0,0,0,0|0,1,0]=3 2402 B14R1.70 O=CCNc1ccc(cc1)OCCF 34a_100012282086_200009817547 [0,2,0,0,0,0|1,0,1]=4 2403 B14R1.70 O=CCNc1ccc(cc1)OCCO 2230a_100000754363_200015260668 [0,2,0,0,0,0|1,0,1]=4 2404 B14R1.70 O=CCNc1ccc(cc1)OCCO 34a_100000754363_200009817547 [0,2,0,0,0,0|1,0,1]=4 2405 B14R1.70 O=CCSc1ccc(cc1)OCCF 62a_100012347556_200015260668 [0,2,0,0,0,0|1,0,1]=4 2406 B14R1.70 O=CCSc1ccc(cc1)OCCF 62a_200015260668_100012347556 [0,2,0,0,0,0|1,0,1]=4 2407 B14R1.70 O=CCSc1ccc(cc1)OCCO 62a_100000686261_200015260668 [0,2,0,0,0,0|1,0,1]=4 2408 B14R1.70 O=CCSc1ccc(cc1)OCCO 62a_200015260668_100000686261 [0,2,0,0,0,0|1,0,1]=4 2409 B14R1.465 C/C=C/CNc1ccc(cc1)COC 34a_100000694113_100102629194 [0,2,0,0,0,0|1,0,1]=4 2410 B14R1.465 C/C=C/CNc1ccc(cc1)OCC 34a_100000739623_100102629194 [0,2,0,0,0,0|1,0,1]=4 2411 B14R1.465 C/C=C/COc1ccc(cc1)COC 34a_200011995677_100102629194 [0,2,0,0,0,0|1,0,1]=4 2412 B14R1.465 C/C=C/COc1ccc(cc1)COC 7a_200011995677_100102629194 [0,2,0,0,0,0|1,0,1]=4 2413 B14R1.465 C/C=C/COc1ccc(cc1)OCC 34a_100000185467_100102629194 [0,2,0,0,0,0|1,0,1]=4 2414 B14R1.465 C/C=C/CSc1ccc(cc1)COC 62a_100011493685_100102629194 [0,2,0,0,0,0|1,0,1]=4 2415 B14R1.465 C/C=C/CSc1ccc(cc1)COC 62a_100102629194_100011493685 [0,2,0,0,0,0|1,0,1]=4 2416 B14R1.465 C/C=C/CSc1ccc(cc1)OCC 62a_100102629194_100000171712 [0,2,0,0,0,0|1,0,1]=4 2417 B14R1.465 CC=CCNc1ccc(cc1)COC 34a_100000694113_100000070051 [0,2,0,0,0,0|1,0,1]=4 2418 B14R1.465 CC=CCNc1ccc(cc1)OCC 2230a_100000739623_100000070051 [0,2,0,0,0,0|1,0,1]=4 2419 B14R1.465 CC=CCNc1ccc(cc1)OCC 34a_100000739623_100000070051 [0,2,0,0,0,0|1,0,1]=4 2420 B14R1.465 CC=CCOc1ccc(cc1)COC 34a_200011995677_100000070051 [0,2,0,0,0,0|1,0,1]=4 2421 B14R1.465 CC=CCOc1ccc(cc1)COC 7a_200011995677_100000070051 [0,2,0,0,0,0|1,0,1]=4 2422 B14R1.465 CC=CCOc1ccc(cc1)OCC 34a_100000185467_100000070051 [0,2,0,0,0,0|1,0,1]=4 2423 B14R1.465 CC=CCSc1ccc(cc1)COC 62a_100000070051_100011493685 [0,2,0,0,0,0|1,0,1]=4 2424 B14R1.465 CC=CCSc1ccc(cc1)COC 62a_100011493685_100000070051 [0,2,0,0,0,0|1,0,1]=4 2425 B14R1.465 CC=CCSc1ccc(cc1)OCC 62a_100000070051_100000171712 [0,2,0,0,0,0|1,0,1]=4 2426 B14R1.465 CCCC=Cc1ccc(cc1)COC 271570a_100016258520_100011493685 [0,2,0,0,0,0|1,0,1]=4 2427 B14R1.465 CCCC=Cc1ccc(cc1)OCC 271570a_100016258520_100000169946 [0,2,0,0,0,0|1,0,1]=4 2428 B14R1.465 CCOC=Cc1ccc(cc1)COC 271570a_100016256518_100011493685 [0,2,0,0,0,0|1,0,1]=4 2429 B14R1.465 CCOC=Cc1ccc(cc1)OCC 271570a_100016256518_100000169946 [0,2,0,0,0,0|1,0,1]=4 2430 B14R1.465 CCOc1ccc(cc1)C=CCOC 271570a_100016286323_100000169946 [0,2,0,0,0,0|0,0,2]=4 2431 B14R1.465 CCOc1ccc(cc1)CNCC=O 2230a_100000185588_200015260668 [0,2,0,0,0,0|0,0,2]=4 2432 B14R1.465 CCOc1ccc(cc1)CNCC=O 34a_100000185588_200009817547 [0,2,0,0,0,0|0,0,2]=4 2433 B14R1.465 CCOc1ccc(cc1)COCC=O 34a_100000173027_200009817547 [0,2,0,0,0,0|0,0,2]=4 2434 B14R1.465 CCOc1ccc(cc1)COCC=O 7a_100000173027_200015260668 [0,2,0,0,0,0|0,0,2]=4 2435 B14R1.465 COCC=Cc1ccc(cc1)COC 271570a_100016286323_100011493685 [0,2,0,0,0,0|0,0,2]=4 2436 B14R1.465 COCc1ccc(cc1)CNCC=O 2230a_100000738208_200015260668 [0,2,0,0,0,0|0,0,2]=4 2437 B14R1.465 COCc1ccc(cc1)CNCC=O 34a_100000738208_200009817547 [0,2,0,0,0,0|0,0,2]=4 2438 B14R1.795 CCOc1ccc(cc1C)SCC=O 62a_100011308936_200015260668 [0,2,0,0,0,0|1,0,1]=4 2439 B14R1.795 CCOc1ccc(cc1C)SCC=O 62a_200015260668_100011308936 [0,2,0,0,0,0|1,0,1]=4 2440 B14R1.795 CCOc1ccc(cc1Cl)NCC=O 2230a_100000741444_200015260668 [0,2,0,0,0,0|1,0,1]=4 2441 B14R1.795 CCOc1ccc(cc1Cl)NCC=O 34a_100000741444_200009817547 [0,2,0,0,0,0|1,0,1]=4 2442 B14R1.795 CCOc1ccc(cc1Cl)NCC=O 7a_100000741444_200015260668 [0,2,0,0,0,0|1,0,1]=4 2443 B14R1.795 CCOc1ccc(cc1F)OCC=O 34a_100012771078_200009817547 [0,2,0,0,0,0|1,0,1]=4 2444 B14R1.795 CCOc1ccc(cc1F)OCC=O 7a_100012771078_200015260668 [0,2,0,0,0,0|1,0,1]=4 2445 B14R1.795 CCOc1ccc(cc1F)SCC=O 62a_200000171753_200015260668 [0,2,0,0,0,0|1,0,1]=4 2446 B14R1.795 CCOc1ccc(cc1F)SCC=O 62a_200015260668_200000171753 [0,2,0,0,0,0|1,0,1]=4 2447 B14R1.795 CCOc1ccc(cc1N)SCC=O 62a_100000751366_200015260668 [0,2,0,0,0,0|1,0,1]=4 2448 B14R1.795 COCc1ccc(cc1F)NCC=O 34a_100012145864_200009817547 [0,2,0,0,0,0|1,0,1]=4 2449 B14R1.795 COCc1ccc(cc1F)NCC=O 7a_100012145864_200015260668 [0,2,0,0,0,0|1,0,1]=4 2450 B14R1.795 COCc1ccc(cc1N)SCC=O 62a_100013084866_200015260668 [0,2,0,0,0,0|1,0,1]=4 2451 B14R1.795 COCc1ccc(cc1N)SCC=O 62a_200015260668_100013084866 [0,2,0,0,0,0|1,0,1]=4 2452 B14R1.4 C=C(C)C=NNc1ccc(cc1)OC 4a_100000005221_100000210575 [0,2,0,0,0,0|2,0,0]=4 2453 B14R1.4 CC(=O)NCCc1ccc(cc1)O[13CH3] 34a_100011395907_200025704644 [0,2,0,0,0,0|0,0,2]=4 2454 B14R1.4 CC(=O)NCCc1ccc(cc1)O[13CH3] 7a_100011395907_200025704644 [0,2,0,0,0,0|0,0,2]=4 2455 B14R1.4 CCc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000211036 [0,2,0,0,0,0|2,0,0]=4 2456 B14R1.4 COc1ccc(cc1)C=CCC(C)C 271570a_100016259101_100000171711 [0,2,0,0,0,0|1,0,1]=4 2457 B14R1.4 COc1ccc(cc1)C=CCN(C)C 270004a_100102631434_100016259823 [0,2,0,0,0,0|1,0,1]=4 2458 B14R1.4 COc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000169835 [0,2,0,0,0,0|1,0,0]=3 2459 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000070787_100011740616 [0,2,0,0,0,0|0,0,2]=4 2460 B14R1.4 COc1ccc(cc1)CCCC(=O)C 1458a_100000186216_200000210301 [0,2,0,0,0,0|0,0,2]=4 2461 B14R1.4 COc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000186216_200025704644 [0,2,0,0,0,0|0,0,2]=4 2462 B14R1.4 COc1ccc(cc1)CCNC(=O)C 11a_100000210796_100015343762 [0,2,0,0,0,0|0,0,2]=4 2463 B14R1.4 COc1ccc(cc1)CCNC(=O)C 1626a_100000210796_100015343762 [0,2,0,0,0,0|0,0,2]=4 2464 B14R1.4 COc1ccc(cc1)CCNC(=O)C 240690a_100000210796_100015343762 [0,2,0,0,0,0|0,0,2]=4 2465 B14R1.4 COc1ccc(cc1)CCNC(=O)C 34a_100011395907_200000210301 [0,2,0,0,0,0|0,0,2]=4 2466 B14R1.4 COc1ccc(cc1)CCNC(=O)C 527a_100000210796_100103153847 [0,2,0,0,0,0|0,0,2]=4 2467 B14R1.4 COc1ccc(cc1)CCNC(=O)C 7a_100011395907_200000210301 [0,2,0,0,0,0|0,0,2]=4 2468 B14R1.4 COc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000742318 [0,2,0,0,0,0|0,0,2]=4 2469 B14R1.4 COc1ccc(cc1)CNCC(=O)N 34a_100000185587_100000187820 [0,2,0,0,0,0|0,0,2]=4 2470 B14R1.4 COc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000742318 [0,2,0,0,0,0|0,0,2]=4 2471 B14R1.4 COc1ccc(cc1)CNCC(=O)[O-] 34a_100000185587_100020667443 [0,2,0,0,0,0|0,0,2]=4 2472 B14R1.4 COc1ccc(cc1)CNNC(=O)C 22a_100000741578_100000070787 [0,2,0,0,0,0|1,0,1]=4 2473 B14R1.4 COc1ccc(cc1)COCC(=O)C 1458a_100000741626_200000210301 [0,2,0,0,0,0|0,0,2]=4 2474 B14R1.4 COc1ccc(cc1)COCC(=O)C 34a_100000211253_100000742318 [0,2,0,0,0,0|0,0,2]=4 2475 B14R1.4 COc1ccc(cc1)COCC(=O)N 34a_100000173359_100000187820 [0,2,0,0,0,0|0,0,2]=4 2476 B14R1.4 COc1ccc(cc1)COCC(=O)[13CH3] 1458a_100000741626_200025704644 [0,2,0,0,0,0|0,0,2]=4 2477 B14R1.4 COc1ccc(cc1)COCC(=O)[O-] 34a_100000173359_100020667443 [0,2,0,0,0,0|0,0,2]=4 2478 B14R1.4 COc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000742318 [0,2,0,0,0,0|0,0,2]=4 2479 B14R1.4 COc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000742318 [0,2,0,0,0,0|0,0,2]=4 2480 B14R1.4 COc1ccc(cc1)NCC=C(C)C 34a_100000184247_100000761012 [0,2,0,0,0,0|1,0,1]=4 2481 B14R1.4 COc1ccc(cc1)NCCC(=O)N 34a_100000184247_100000731001 [0,2,0,0,0,0|0,0,2]=4 2482 B14R1.4 COc1ccc(cc1)NCOC(=O)C 34a_100000184247_100009813279 [0,2,0,0,0,0|1,0,1]=4 2483 B14R1.4 COc1ccc(cc1)OCC=C(C)C 34a_100000210503_100000761012 [0,2,0,0,0,0|1,0,1]=4 2484 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000070787_100000183225 [0,2,0,0,0,0|0,0,2]=4 2485 B14R1.4 COc1ccc(cc1)OCCC(=O)C 1458a_100000182993_200000210301 [0,2,0,0,0,0|0,0,2]=4 2486 B14R1.4 COc1ccc(cc1)OCCC(=O)N 34a_100000210503_100000731001 [0,2,0,0,0,0|0,0,2]=4 2487 B14R1.4 COc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182993_200025704644 [0,2,0,0,0,0|0,0,2]=4 2488 B14R1.4 COc1ccc(cc1)OCOC(=O)C 34a_100000210503_100009813279 [0,2,0,0,0,0|1,0,1]=4 2489 B14R1.4 COc1ccc(cc1)SCC=C(C)C 62a_100000761012_100000171711 [0,2,0,0,0,0|1,0,1]=4 2490 B14R1.4 COc1ccc(cc1)SCCC(=O)C 62a_100000053229_100000171711 [0,2,0,0,0,0|0,0,2]=4 2491 B14R1.4 COc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000171711 [0,2,0,0,0,0|0,0,2]=4 2492 B14R1.4 COc1ccc(cc1)SCOC(=O)C 62a_100000076356_100000171711 [0,2,0,0,0,0|1,0,1]=4 2493 B14R1.4 COc1ccc(cn1)C=NNC(=O)C 4a_100000189765_100000761633 [0,2,0,0,0,0|2,0,0]=4 2494 B14R1.4 COc1ccc(nc1)C=NNC(=O)C 4a_100000189765_100000701244 [0,2,0,0,0,0|2,0,0]=4 2495 B14R1.4 CSc1ccc(cc1)C=NNC(=O)C 4a_100000189765_100000211154 [0,2,0,0,0,0|1,1,0]=4 2496 B14R1.776 C/C=C/CNCc1ccc(cc1)OC 34a_100000185587_100102629194 [0,2,0,0,0,0|1,0,1]=4 2497 B14R1.776 C/C=C/COCc1ccc(cc1)OC 34a_100000173359_100102629194 [0,2,0,0,0,0|1,0,1]=4 2498 B14R1.776 C/C=C/COCc1ccc(cc1)OC 34a_100016270725_100000742318 [0,2,0,0,0,0|1,0,1]=4 2499 B14R1.776 C/C=C/CSCc1ccc(cc1)OC 62a_100102629194_100000742318 [0,2,0,0,0,0|1,0,1]=4 2500 B14R1.776 CC/C=C\CNc1ccc(cc1)OC 34a_100000184247_100103147603 [0,2,0,0,0,0|1,0,1]=4 2501 B14R1.776 CC/C=C\COc1ccc(cc1)OC 34a_100000210503_100103147603 [0,2,0,0,0,0|1,0,1]=4 2502 B14R1.776 CC/C=C\CSc1ccc(cc1)OC 62a_100103147603_100000171711 [0,2,0,0,0,0|1,0,1]=4 2503 B14R1.776 CC=CCNCc1ccc(cc1)OC 34a_100000185587_100000070051 [0,2,0,0,0,0|1,0,1]=4 2504 B14R1.776 CC=CCOCc1ccc(cc1)OC 34a_100000173359_100000070051 [0,2,0,0,0,0|1,0,1]=4 2505 B14R1.776 CC=CCSCc1ccc(cc1)OC 62a_100000070051_100000742318 [0,2,0,0,0,0|1,0,1]=4 2506 B14R1.776 CCCCC=Cc1ccc(cc1)OC 271570a_100016275911_100000171711 [0,2,0,0,0,0|1,0,1]=4 2507 B14R1.776 CCNCC=Cc1ccc(cc1)OC 270004a_100015525214_100016259823 [0,2,0,0,0,0|1,0,1]=4 2508 B14R1.776 CCOC/C=C/c1ccc(cc1)OC 34a_200016269047_100000210202 [0,2,0,0,0,0|0,0,2]=4 2509 B14R1.776 COc1ccc(cc1)/C=C/COCF 34a_200016269047_100015361967 [0,2,0,0,0,0|0,0,2]=4 2510 B14R1.776 COc1ccc(cc1)CCNCC=O 2230a_100000210796_200015260668 [0,2,0,0,0,0|0,0,2]=4 2511 B14R1.776 COc1ccc(cc1)CCNCC=O 34a_100000210796_200009817547 [0,2,0,0,0,0|0,0,2]=4 2512 B14R1.776 COc1ccc(cc1)CCOCC=O 34a_100011219623_200009817547 [0,2,0,0,0,0|0,0,2]=4 2513 B14R1.776 COc1ccc(cc1)CCOCC=O 7a_100011219623_200015260668 [0,2,0,0,0,0|0,0,2]=4 2514 B14R1.776 COc1ccc(cc1)CCSCC=O 62a_100011713689_200015260668 [0,2,0,0,0,0|0,0,2]=4 2515 B14R1.776 COc1ccc(cc1)CCSCC=O 62a_200015260668_100011713689 [0,2,0,0,0,0|0,0,2]=4 2516 B14R1.776 COc1ccc(cc1)SCCCC=O 62a_200011292268_100000171711 [0,2,0,0,0,0|0,0,2]=4 2517 B14R1.909 C/C=C/CNc1ccc(c(c1)Br)OC 34a_100000187427_100102629194 [0,2,0,0,0,0|1,0,1]=4 2518 B14R1.909 C/C=C/CNc1ccc(c(c1)C)OC 34a_100000743268_100102629194 [0,2,0,0,0,0|1,0,1]=4 2519 B14R1.909 C/C=C/CNc1ccc(c(c1)C)OC 7a_100000743268_100102629194 [0,2,0,0,0,0|1,0,1]=4 2520 B14R1.909 C/C=C/CNc1ccc(c(c1)Cl)OC 34a_100000211044_100102629194 [0,2,0,0,0,0|1,0,1]=4 2521 B14R1.909 C/C=C/CNc1ccc(c(c1)F)OC 34a_100000740183_100102629194 [0,2,0,0,0,0|1,0,1]=4 2522 B14R1.909 C/C=C/CNc1ccc(c(c1)I)OC 34a_100011356947_100102629194 [0,2,0,0,0,0|1,0,1]=4 2523 B14R1.909 C/C=C/CNc1ccc(c(c1)O)OC 34a_100000211920_100102629194 [0,2,0,0,0,0|1,0,1]=4 2524 B14R1.909 C/C=C/COc1ccc(c(c1)Br)OC 34a_100010234764_100102629194 [0,2,0,0,0,0|1,0,1]=4 2525 B14R1.909 C/C=C/COc1ccc(c(c1)Br)OC 7a_100010234764_100102629194 [0,2,0,0,0,0|1,0,1]=4 2526 B14R1.909 C/C=C/COc1ccc(c(c1)C)OC 34a_100000759738_100102629194 [0,2,0,0,0,0|1,0,1]=4 2527 B14R1.909 C/C=C/COc1ccc(c(c1)C)OC 7a_100000759738_100102629194 [0,2,0,0,0,0|1,0,1]=4 2528 B14R1.909 C/C=C/COc1ccc(c(c1)Cl)OC 34a_200009861682_100102629194 [0,2,0,0,0,0|1,0,1]=4 2529 B14R1.909 C/C=C/COc1ccc(c(c1)Cl)OC 7a_200009861682_100102629194 [0,2,0,0,0,0|1,0,1]=4 2530 B14R1.909 C/C=C/COc1ccc(c(c1)F)OC 34a_100000746305_100102629194 [0,2,0,0,0,0|1,0,1]=4 2531 B14R1.909 C/C=C/COc1ccc(c(c1)F)OC 7a_100000746305_100102629194 [0,2,0,0,0,0|1,0,1]=4 2532 B14R1.909 C/C=C/COc1ccc(c(c1)I)OC 34a_100010084122_100102629194 [0,2,0,0,0,0|1,0,1]=4 2533 B14R1.909 C/C=C/COc1ccc(c(c1)I)OC 7a_100010084122_100102629194 [0,2,0,0,0,0|1,0,1]=4 2534 B14R1.909 C/C=C/CSc1ccc(c(c1)Br)OC 62a_100011249507_100102629194 [0,2,0,0,0,0|1,0,1]=4 2535 B14R1.909 C/C=C/CSc1ccc(c(c1)Br)OC 62a_100102629194_100011249507 [0,2,0,0,0,0|1,0,1]=4 2536 B14R1.909 C/C=C/CSc1ccc(c(c1)C)OC 62a_100011219705_100102629194 [0,2,0,0,0,0|1,0,1]=4 2537 B14R1.909 C/C=C/CSc1ccc(c(c1)C)OC 62a_100102629194_100011219705 [0,2,0,0,0,0|1,0,1]=4 2538 B14R1.909 C/C=C/CSc1ccc(c(c1)Cl)OC 62a_100012355395_100102629194 [0,2,0,0,0,0|1,0,1]=4 2539 B14R1.909 C/C=C/CSc1ccc(c(c1)Cl)OC 62a_100102629194_100012355395 [0,2,0,0,0,0|1,0,1]=4 2540 B14R1.909 C/C=C/CSc1ccc(c(c1)F)OC 62a_100000171752_100102629194 [0,2,0,0,0,0|1,0,1]=4 2541 B14R1.909 C/C=C/CSc1ccc(c(c1)F)OC 62a_100102629194_100000171752 [0,2,0,0,0,0|1,0,1]=4 2542 B14R1.909 C/C=C/CSc1ccc(c(c1)N)OC 62a_100011249504_100102629194 [0,2,0,0,0,0|1,0,1]=4 2543 B14R1.909 C/C=C/CSc1ccc(c(c1)N)OC 62a_100102629194_100011249504 [0,2,0,0,0,0|1,0,1]=4 2544 B14R1.909 C/C=C/CSc1ccc(c(c1)O)OC 62a_100102629194_100009816560 [0,2,0,0,0,0|1,0,1]=4 2545 B14R1.909 CC=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000070051 [0,2,0,0,0,0|1,0,1]=4 2546 B14R1.909 CC=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000070051 [0,2,0,0,0,0|1,0,1]=4 2547 B14R1.909 CC=CCNc1ccc(c(c1)C)OC 34a_100000743268_100000070051 [0,2,0,0,0,0|1,0,1]=4 2548 B14R1.909 CC=CCNc1ccc(c(c1)C)OC 7a_100000743268_100000070051 [0,2,0,0,0,0|1,0,1]=4 2549 B14R1.909 CC=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000070051 [0,2,0,0,0,0|1,0,1]=4 2550 B14R1.909 CC=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000070051 [0,2,0,0,0,0|1,0,1]=4 2551 B14R1.909 CC=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000070051 [0,2,0,0,0,0|1,0,1]=4 2552 B14R1.909 CC=CCNc1ccc(c(c1)F)OC 34a_100000740183_100000070051 [0,2,0,0,0,0|1,0,1]=4 2553 B14R1.909 CC=CCNc1ccc(c(c1)I)OC 34a_100011356947_100000070051 [0,2,0,0,0,0|1,0,1]=4 2554 B14R1.909 CC=CCNc1ccc(c(c1)O)OC 34a_100000211920_100000070051 [0,2,0,0,0,0|1,0,1]=4 2555 B14R1.909 CC=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000070051 [0,2,0,0,0,0|1,0,1]=4 2556 B14R1.909 CC=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000070051 [0,2,0,0,0,0|1,0,1]=4 2557 B14R1.909 CC=CCOc1ccc(c(c1)C)OC 34a_100000759738_100000070051 [0,2,0,0,0,0|1,0,1]=4 2558 B14R1.909 CC=CCOc1ccc(c(c1)C)OC 7a_100000759738_100000070051 [0,2,0,0,0,0|1,0,1]=4 2559 B14R1.909 CC=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000070051 [0,2,0,0,0,0|1,0,1]=4 2560 B14R1.909 CC=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000070051 [0,2,0,0,0,0|1,0,1]=4 2561 B14R1.909 CC=CCOc1ccc(c(c1)F)OC 34a_100000746305_100000070051 [0,2,0,0,0,0|1,0,1]=4 2562 B14R1.909 CC=CCOc1ccc(c(c1)F)OC 7a_100000746305_100000070051 [0,2,0,0,0,0|1,0,1]=4 2563 B14R1.909 CC=CCOc1ccc(c(c1)I)OC 34a_100010084122_100000070051 [0,2,0,0,0,0|1,0,1]=4 2564 B14R1.909 CC=CCOc1ccc(c(c1)I)OC 7a_100010084122_100000070051 [0,2,0,0,0,0|1,0,1]=4 2565 B14R1.909 CC=CCSc1ccc(c(c1)Br)OC 62a_100000070051_100011249507 [0,2,0,0,0,0|1,0,1]=4 2566 B14R1.909 CC=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000070051 [0,2,0,0,0,0|1,0,1]=4 2567 B14R1.909 CC=CCSc1ccc(c(c1)C)OC 62a_100000070051_100011219705 [0,2,0,0,0,0|1,0,1]=4 2568 B14R1.909 CC=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000070051 [0,2,0,0,0,0|1,0,1]=4 2569 B14R1.909 CC=CCSc1ccc(c(c1)Cl)OC 62a_100000070051_100012355395 [0,2,0,0,0,0|1,0,1]=4 2570 B14R1.909 CC=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000070051 [0,2,0,0,0,0|1,0,1]=4 2571 B14R1.909 CC=CCSc1ccc(c(c1)F)OC 62a_100000070051_100000171752 [0,2,0,0,0,0|1,0,1]=4 2572 B14R1.909 CC=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000070051 [0,2,0,0,0,0|1,0,1]=4 2573 B14R1.909 CC=CCSc1ccc(c(c1)N)OC 62a_100000070051_100011249504 [0,2,0,0,0,0|1,0,1]=4 2574 B14R1.909 CC=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000070051 [0,2,0,0,0,0|1,0,1]=4 2575 B14R1.909 CC=CCSc1ccc(c(c1)O)OC 62a_100000070051_100009816560 [0,2,0,0,0,0|1,0,1]=4 2576 B14R1.909 CCCC=Cc1ccc(c(c1)Br)OC 271570a_100016258520_100011249507 [0,2,0,0,0,0|1,0,1]=4 2577 B14R1.909 CCCC=Cc1ccc(c(c1)C)OC 271570a_100016258520_100011219705 [0,2,0,0,0,0|1,0,1]=4 2578 B14R1.909 CCCC=Cc1ccc(c(c1)Cl)OC 271570a_100016258520_100012355395 [0,2,0,0,0,0|1,0,1]=4 2579 B14R1.909 CCCC=Cc1ccc(c(c1)F)OC 271570a_100016258520_100000185480 [0,2,0,0,0,0|1,0,1]=4 2580 B14R1.909 CCCC=Cc1ccc(c(c1)N)OC 271570a_100016258520_100000743470 [0,2,0,0,0,0|1,0,1]=4 2581 B14R1.909 CCCC=Cc1ccc(c(c1)O)OC 271570a_100016258520_100009816560 [0,2,0,0,0,0|1,0,1]=4 2582 B14R1.909 CCOC=Cc1ccc(c(c1)Br)OC 271570a_100016256518_100011249507 [0,2,0,0,0,0|1,0,1]=4 2583 B14R1.909 CCOC=Cc1ccc(c(c1)C)OC 271570a_100016256518_100011219705 [0,2,0,0,0,0|1,0,1]=4 2584 B14R1.909 CCOC=Cc1ccc(c(c1)Cl)OC 271570a_100016256518_100012355395 [0,2,0,0,0,0|1,0,1]=4 2585 B14R1.909 CCOC=Cc1ccc(c(c1)F)OC 271570a_100016256518_100000185480 [0,2,0,0,0,0|1,0,1]=4 2586 B14R1.909 CCOC=Cc1ccc(c(c1)N)OC 271570a_100016256518_100000743470 [0,2,0,0,0,0|1,0,1]=4 2587 B14R1.909 CCOC=Cc1ccc(c(c1)O)OC 271570a_100016256518_100009816560 [0,2,0,0,0,0|1,0,1]=4 2588 B14R1.909 COCC=Cc1ccc(c(c1)Br)OC 271570a_100016286323_100011249507 [0,2,0,0,0,0|0,0,2]=4 2589 B14R1.909 COCC=Cc1ccc(c(c1)C)OC 271570a_100016286323_100011219705 [0,2,0,0,0,0|0,0,2]=4 2590 B14R1.909 COCC=Cc1ccc(c(c1)Cl)OC 271570a_100016286323_100012355395 [0,2,0,0,0,0|0,0,2]=4 2591 B14R1.909 COCC=Cc1ccc(c(c1)F)OC 271570a_100016286323_100000185480 [0,2,0,0,0,0|0,0,2]=4 2592 B14R1.909 COCC=Cc1ccc(c(c1)N)OC 271570a_100016286323_100000743470 [0,2,0,0,0,0|0,0,2]=4 2593 B14R1.909 COCC=Cc1ccc(c(c1)O)OC 271570a_100016286323_100009816560 [0,2,0,0,0,0|0,0,2]=4 2594 B14R1.909 COc1ccc(cc1Br)CNCC=O 34a_100159240714_200009817547 [0,2,0,0,0,0|0,0,2]=4 2595 B14R1.909 COc1ccc(cc1Br)COCC=O 34a_100000246451_200009817547 [0,2,0,0,0,0|0,0,2]=4 2596 B14R1.909 COc1ccc(cc1Br)COCC=O 7a_100000246451_200015260668 [0,2,0,0,0,0|0,0,2]=4 2597 B14R1.909 COc1ccc(cc1Br)CSCC=O 62a_200011397701_200015260668 [0,2,0,0,0,0|0,0,2]=4 2598 B14R1.909 COc1ccc(cc1Br)CSCC=O 62a_200015260668_200011397701 [0,2,0,0,0,0|0,0,2]=4 2599 B14R1.909 COc1ccc(cc1C)CNCC=O 2230a_100102679029_200015260668 [0,2,0,0,0,0|0,0,2]=4 2600 B14R1.909 COc1ccc(cc1C)CNCC=O 34a_100102679029_200009817547 [0,2,0,0,0,0|0,0,2]=4 2601 B14R1.909 COc1ccc(cc1C)COCC=O 34a_200011290855_200009817547 [0,2,0,0,0,0|0,0,2]=4 2602 B14R1.909 COc1ccc(cc1C)COCC=O 7a_200011290855_200015260668 [0,2,0,0,0,0|0,0,2]=4 2603 B14R1.909 COc1ccc(cc1C)CSCC=O 62a_200011290836_200015260668 [0,2,0,0,0,0|0,0,2]=4 2604 B14R1.909 COc1ccc(cc1C)CSCC=O 62a_200015260668_200011290836 [0,2,0,0,0,0|0,0,2]=4 2605 B14R1.909 COc1ccc(cc1Cl)CNCC=O 2230a_100000008799_200015260668 [0,2,0,0,0,0|0,0,2]=4 2606 B14R1.909 COc1ccc(cc1Cl)CNCC=O 34a_100000008799_200009817547 [0,2,0,0,0,0|0,0,2]=4 2607 B14R1.909 COc1ccc(cc1Cl)COCC=O 34a_100000694469_200009817547 [0,2,0,0,0,0|0,0,2]=4 2608 B14R1.909 COc1ccc(cc1Cl)COCC=O 7a_100000694469_200015260668 [0,2,0,0,0,0|0,0,2]=4 2609 B14R1.909 COc1ccc(cc1Cl)CSCC=O 62a_100000693707_200015260668 [0,2,0,0,0,0|0,0,2]=4 2610 B14R1.909 COc1ccc(cc1Cl)CSCC=O 62a_200015260668_100000693707 [0,2,0,0,0,0|0,0,2]=4 2611 B14R1.909 COc1ccc(cc1F)CNCC=O 2230a_100000737316_200015260668 [0,2,0,0,0,0|0,0,2]=4 2612 B14R1.909 COc1ccc(cc1F)CNCC=O 34a_100000737316_200009817547 [0,2,0,0,0,0|0,0,2]=4 2613 B14R1.909 COc1ccc(cc1F)COCC=O 34a_100000246395_200009817547 [0,2,0,0,0,0|0,0,2]=4 2614 B14R1.909 COc1ccc(cc1F)COCC=O 7a_100000246395_200015260668 [0,2,0,0,0,0|0,0,2]=4 2615 B14R1.909 COc1ccc(cc1F)CSCC=O 62a_100000189595_200015260668 [0,2,0,0,0,0|0,0,2]=4 2616 B14R1.909 COc1ccc(cc1F)CSCC=O 62a_200015260668_100000189595 [0,2,0,0,0,0|0,0,2]=4 2617 B14R1.909 COc1ccc(cc1I)COCC=O 34a_200000013966_200009817547 [0,2,0,0,0,0|0,0,2]=4 2618 B14R1.909 COc1ccc(cc1I)COCC=O 7a_200000013966_200015260668 [0,2,0,0,0,0|0,0,2]=4 2619 B14R1.909 COc1ccc(cc1N)COCC=O 34a_100011269841_200009817547 [0,2,0,0,0,0|0,0,2]=4 2620 B14R1.909 COc1ccc(cc1O)CNCC=O 34a_100000740000_200009817547 [0,2,0,0,0,0|0,0,2]=4 2621 B14R1.926 C/C=C/CC(=O)c1ccc(cc1)CC 1458a_100000211226_100102629194 [0,2,0,0,0,0|2,0,0]=4 2622 B14R1.926 C/C=C/CC(=O)c1ccc(cc1)OC 1458a_100000184203_100102629194 [0,2,0,0,0,0|1,0,0]=3 2623 B14R1.926 C/C=C/CC(=O)c1ccc(cc1)SC 1458a_100000189692_100102629194 [0,2,0,0,0,0|1,1,0]=4 2624 B14R1.926 C/C=C/CN(C)c1ccc(cc1)OC 269982a_100000220023_100102629194 [0,2,0,0,0,0|1,0,1]=4 2625 B14R1.926 C/C=C/CN(C)c1ccc(cc1)OC 34a_100000220023_100102629194 [0,2,0,0,0,0|1,0,1]=4 2626 B14R1.926 C=CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000754431 [0,2,0,0,0,0|1,0,1]=4 2627 B14R1.926 C=CCNC(=O)c1ccc(cc1)OC 1626a_100020586998_100000184203 [0,2,0,0,0,0|1,0,1]=4 2628 B14R1.926 C=CCNC(=O)c1ccc(cc1)OC 240690a_100020586998_100000184203 [0,2,0,0,0,0|1,0,1]=4 2629 B14R1.926 C=CCNC(=O)c1ccc(cc1)OC 527a_100020586998_100000184203 [0,2,0,0,0,0|1,0,1]=4 2630 B14R1.926 C=CCOC(=O)c1ccc(cc1)OC 7a_200000006381_200000210301 [0,2,0,0,0,0|1,0,1]=4 2631 B14R1.926 C=CCOC(=O)c1ccc(cc1)O[13CH3] 7a_200000006381_200025704644 [0,2,0,0,0,0|1,0,1]=4 2632 B14R1.926 CC=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000070051 [0,2,0,0,0,0|2,0,0]=4 2633 B14R1.926 CC=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000070051 [0,2,0,0,0,0|1,0,0]=3 2634 B14R1.926 CC=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000070051 [0,2,0,0,0,0|1,1,0]=4 2635 B14R1.926 CC=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000070051 [0,2,0,0,0,0|1,0,1]=4 2636 B14R1.926 CC=CCN(C)c1ccc(cc1)OC 34a_100000220023_100000070051 [0,2,0,0,0,0|1,0,1]=4 2637 B14R1.926 CC=NNC(=O)c1ccc(cc1)OC 4a_100000186299_200000210099 [0,2,0,0,0,0|2,0,0]=4 2638 B14R1.926 COc1ccc(cc1)C(C)OCC=O 34a_100000742907_200009817547 [0,2,0,0,0,0|0,0,2]=4 2639 B14R1.926 COc1ccc(cc1)C(C)OCC=O 7a_100000742907_200015260668 [0,2,0,0,0,0|0,0,2]=4 2640 B14R1.926 COc1ccc(cc1)[C@@H](C)NCC=O 2230a_100011830352_200015260668 [0,2,0,0,0,0|0,0,2]=4 2641 B14R1.628 C=CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210623 [0,2,0,0,0,0|1,0,1]=4 2642 B14R1.628 C=CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210623 [0,2,0,0,0,0|1,0,1]=4 2643 B14R1.628 C=CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210623 [0,2,0,0,0,0|1,0,1]=4 2644 B14R1.628 C=CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210623 [0,2,0,0,0,0|1,0,1]=4 2645 B14R1.628 C=CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210623 [0,2,0,0,0,0|1,0,1]=4 2646 B14R1.628 C=CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210623 [0,2,0,0,0,0|1,0,1]=4 2647 B14R1.628 COc1ccc(cc1I)N(C)CC=O 269982a_114948341033_200015260668 [0,2,0,0,0,0|1,0,1]=4 2648 B14R1.628 COc1ccc(cc1I)N(C)CC=O 34a_114948341033_200009817547 [0,2,0,0,0,0|1,0,1]=4 2649 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200010179862_200015260668 [0,2,0,0,0,0|1,0,1]=4 2650 B14R1.793 CCc1cc(ccc1OC)SCC=O 62a_200015260668_200010179862 [0,2,0,0,0,0|1,0,1]=4 2651 B14R1.793 COc1cc(ccc1O[13CH3])/C=C\CO 34a_100016294963_200025704644 [0,2,0,0,0,0|0,0,2]=4 2652 B14R1.793 COc1ccc(cc1C#N)NCC=O 34a_100011204338_200009817547 [0,2,0,0,0,0|1,0,1]=4 2653 B14R1.793 COc1ccc(cc1C#N)NCC=O 7a_100011204338_200015260668 [0,2,0,0,0,0|1,0,1]=4 2654 B14R1.793 COc1ccc(cc1C#N)SCC=O 62a_200015260668_100000188252 [0,2,0,0,0,0|1,0,1]=4 2655 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_100000170026_200015260668 [0,2,0,0,0,0|1,0,1]=4 2656 B14R1.793 COc1ccc(cc1C=O)SCC=O 62a_200015260668_100000170026 [0,2,0,0,0,0|1,0,1]=4 2657 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_100000690498_200015260668 [0,2,0,0,0,0|1,0,1]=4 2658 B14R1.793 COc1ccc(cc1CN)SCC=O 62a_200015260668_100000690498 [0,2,0,0,0,0|1,0,1]=4 2659 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_100000204679_200015260668 [0,2,0,0,0,0|1,0,1]=4 2660 B14R1.793 COc1ccc(cc1CO)SCC=O 62a_200015260668_100000204679 [0,2,0,0,0,0|1,0,1]=4 2661 B14R1.793 COc1ccc(cc1OC)/C=C/CO 34a_100102524974_200000210301 [0,2,0,0,0,0|0,0,2]=4 2662 B14R1.793 COc1ccc(cc1OC)/C=C\CO 34a_100016294963_200000210301 [0,2,0,0,0,0|0,0,2]=4 2663 B14R1.793 COc1ccc(cc1OC)NCC=O 34a_100000187404_200009817547 [0,2,0,0,0,0|1,0,1]=4 2664 B14R1.793 COc1ccc(cc1OC)OCC=O 34a_100000039706_200009817547 [0,2,0,0,0,0|1,0,1]=4 2665 B14R1.793 COc1ccc(cc1OC)SCC=O 62a_200015260668_100011356967 [0,2,0,0,0,0|1,0,1]=4 2666 B14R1.793 COc1ccc(cc1O[13CH3])/C=C/CO 34a_100102524974_200025704644 [0,2,0,0,0,0|0,0,2]=4 2667 B14R1.793 COc1ccc(cc1SC)SCC=O 62a_200009892704_200015260668 [0,2,0,0,0,0|1,0,1]=4 2668 B14R1.7500 COc1c(cc(cc1Br)NCC=O)Br 34a_100011274243_200009817547 [0,2,0,0,0,0|1,0,1]=4 2669 B14R1.7500 COc1c(cc(cc1Br)NCC=O)C 34a_100010071304_200009817547 [0,2,0,0,0,0|1,0,1]=4 2670 B14R1.7500 COc1c(cc(cc1Br)NCC=O)C 7a_100010071304_200015260668 [0,2,0,0,0,0|1,0,1]=4 2671 B14R1.7500 COc1c(cc(cc1Br)NCC=O)F 34a_200009816006_200009817547 [0,2,0,0,0,0|1,0,1]=4 2672 B14R1.7500 COc1c(cc(cc1Br)SCC=O)C 62a_100010997178_200015260668 [0,2,0,0,0,0|1,0,1]=4 2673 B14R1.7500 COc1c(cc(cc1Br)SCC=O)C 62a_200015260668_100010997178 [0,2,0,0,0,0|1,0,1]=4 2674 B14R1.7500 COc1c(cc(cc1C)NCC=O)C 2230a_100000187574_200015260668 [0,2,0,0,0,0|1,0,1]=4 2675 B14R1.7500 COc1c(cc(cc1C)NCC=O)C 34a_100000187574_200009817547 [0,2,0,0,0,0|1,0,1]=4 2676 B14R1.7500 COc1c(cc(cc1C)NCC=O)C 7a_100000187574_200015260668 [0,2,0,0,0,0|1,0,1]=4 2677 B14R1.7500 COc1c(cc(cc1C)OCC=O)C 34a_100009845414_200009817547 [0,2,0,0,0,0|1,0,1]=4 2678 B14R1.7500 COc1c(cc(cc1C)OCC=O)C 7a_100009845414_200015260668 [0,2,0,0,0,0|1,0,1]=4 2679 B14R1.7500 COc1c(cc(cc1C)SCC=O)C 62a_100000211903_200015260668 [0,2,0,0,0,0|1,0,1]=4 2680 B14R1.7500 COc1c(cc(cc1C)SCC=O)C 62a_200015260668_100000211903 [0,2,0,0,0,0|1,0,1]=4 2681 B14R1.7500 COc1c(cc(cc1Cl)NCC=O)Cl 34a_100000749172_200009817547 [0,2,0,0,0,0|1,0,1]=4 2682 B14R1.7500 COc1c(cc(cc1Cl)NCC=O)Cl 7a_100000749172_200015260668 [0,2,0,0,0,0|1,0,1]=4 2683 B14R1.7500 COc1c(cc(cc1Cl)NCC=O)F 34a_200000094053_200009817547 [0,2,0,0,0,0|1,0,1]=4 2684 B14R1.7500 COc1c(cc(cc1Cl)NCC=O)F 7a_200000094053_200015260668 [0,2,0,0,0,0|1,0,1]=4 2685 B14R1.7500 COc1c(cc(cc1Cl)OCC=O)F 34a_100000061510_200009817547 [0,2,0,0,0,0|1,0,1]=4 2686 B14R1.7500 COc1c(cc(cc1Cl)OCC=O)F 7a_100000061510_200015260668 [0,2,0,0,0,0|1,0,1]=4 2687 B14R1.7500 COc1c(cc(cc1Cl)SCC=O)Cl 62a_200010110313_200015260668 [0,2,0,0,0,0|1,0,1]=4 2688 B14R1.7500 COc1c(cc(cc1Cl)SCC=O)Cl 62a_200015260668_200010110313 [0,2,0,0,0,0|1,0,1]=4 2689 B14R1.7500 COc1c(cc(cc1F)NCC=O)F 34a_100000742718_200009817547 [0,2,0,0,0,0|1,0,1]=4 2690 B14R1.7500 COc1c(cc(cc1F)NCC=O)F 7a_100000742718_200015260668 [0,2,0,0,0,0|1,0,1]=4 2691 B14R1.7500 COc1c(cc(cc1F)OCC=O)F 34a_100000062058_200009817547 [0,2,0,0,0,0|1,0,1]=4 2692 B14R1.7500 COc1c(cc(cc1F)OCC=O)F 7a_100000062058_200015260668 [0,2,0,0,0,0|1,0,1]=4 2693 B14R1.7500 COc1c(cc(cc1F)SCC=O)F 62a_100009813559_200015260668 [0,2,0,0,0,0|1,0,1]=4 2694 B14R1.7500 COc1c(cc(cc1F)SCC=O)F 62a_200015260668_100009813559 [0,2,0,0,0,0|1,0,1]=4 2695 B14R1.7500 COc1c(cc(cc1F)SCC=O)N 62a_200010245146_200015260668 [0,2,0,0,0,0|1,0,1]=4 2696 B14R1.7500 COc1c(cc(cc1F)SCC=O)N 62a_200015260668_200010245146 [0,2,0,0,0,0|1,0,1]=4 2697 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [0,0,1,1,0,0|2,0,0]=4 2698 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [0,0,1,1,0,0|1,0,1]=4 2699 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [0,0,1,1,0,0|2,0,0]=4 2700 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [0,0,1,1,0,0|2,0,0]=4 2701 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [0,0,1,1,0,0|2,0,0]=4 2702 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [0,0,1,1,0,0|2,0,0]=4 2703 B12R1.280 CC=Cc1cccc(c1C)OC 271570a_100016259895_100010002647 [0,0,1,1,0,0|1,0,1]=4 2704 B12R1.280 CC=Cc1cccc(c1Cl)OC 271570a_100016259895_100010147677 [0,0,1,1,0,0|2,0,0]=4 2705 B12R1.280 CC=Cc1cccc(c1F)OC 271570a_100016259895_100010185846 [0,0,1,1,0,0|2,0,0]=4 2706 B12R1.280 CC=Cc1cccc(c1N)OC 271570a_100016259895_100000708083 [0,0,1,1,0,0|2,0,0]=4 2707 B12R1.280 CC=Cc1cccc(c1O)OC 271570a_100016259895_100000686866 [0,0,1,1,0,0|2,0,0]=4 2708 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [0,0,1,1,0,0|2,0,0]=4 2709 B12R1.78 C=Cc1ccc(c(c1)C#N)OC 271570a_100011290941_100000188252 [0,0,1,1,0,0|1,0,1]=4 2710 B12R1.78 C=Cc1ccc(c(c1)C=O)C#N 271570a_100011290941_100010194279 [0,0,1,1,0,0|2,0,0]=4 2711 B12R1.78 C=Cc1ccc(c(c1)C=O)C=O 271570a_100011290941_200010077131 [0,0,1,1,0,0|2,0,0]=4 2712 B12R1.78 C=Cc1ccc(c(c1)C=O)OC 271570a_100011290941_100000170026 [0,0,1,1,0,0|0,0,0]=2 2713 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [0,0,1,1,0,0|1,0,1]=4 2714 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [0,0,1,1,0,0|1,0,1]=4 2715 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [0,0,1,1,0,0|0,0,2]=4 2716 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,0,1,1,0,0|2,0,0]=4 2717 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,0,1,1,0,0|2,0,0]=4 2718 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,0,1,1,0,0|2,0,0]=4 2719 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [0,0,1,1,0,0|2,0,0]=4 2720 B12R1.78 C=Cc1cnc(c(c1)C=O)OC 271570a_100011290941_100009814609 [0,0,1,1,0,0|1,0,0]=3 2721 B12R1.78 COc1ccc(cc1C=O)SC 62a_100000170026_200000210301 [0,0,1,1,0,0|1,0,1]=4 2722 B12R1.78 COc1ccc(cc1C=O)SC 62a_200000210301_100000170026 [0,0,1,1,0,0|1,0,1]=4 2723 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_100000170026_200025704644 [0,0,1,1,0,0|1,0,1]=4 2724 B12R1.78 COc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100000170026 [0,0,1,1,0,0|1,0,1]=4 2725 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,1,0,0|2,0,0]=4 2726 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,1,0,0|1,0,0]=3 2727 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,1,0,0|2,0,0]=4 2728 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,1,0,0|1,0,0]=3 2729 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,1,0,0|2,0,0]=4 2730 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,1,0,0|2,0,0]=4 2731 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,1,0,0|2,0,0]=4 2732 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,0,0,1,0,0|2,0,0]=4 2733 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,1,0,0|2,0,0]=4 2734 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,0,0,1,0,0|2,0,0]=4 2735 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,1,0,0|2,0,0]=4 2736 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,1,0,0|2,0,0]=4 2737 B12R2.132 Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009816687 [1,0,0,1,0,0|2,0,0]=4 2738 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [1,0,0,1,0,0|2,0,0]=4 2739 B12R2.132 Cc1csc2c1cc(cc2)O 271570a_203496583355_100009814196 [1,0,0,1,0,0|2,0,0]=4 2740 B12R2.132 Cn1ccc2c1cc(cc2)O 271570a_203496583355_100011934912 [1,0,0,1,0,0|2,0,0]=4 2741 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [1,0,0,1,0,0|0,0,2]=4 2742 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [1,0,0,1,0,0|1,0,1]=4 2743 B12R2.132 O=C1NCc2c1cc(cc2)O 271570a_203496583355_100010171230 [1,0,0,1,0,0|1,0,1]=4 2744 B12R2.132 O=C1OCc2c1cc(cc2)O 271570a_203496583355_100000693025 [1,0,0,1,0,0|1,0,1]=4 2745 B12R2.132 O=c1[nH][nH]c2c1cc(cc2)O 271570a_203496583355_100012353726 [1,0,0,1,0,0|2,0,0]=4 2746 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [1,0,0,1,0,0|2,0,0]=4 2747 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [1,0,0,1,0,0|1,0,1]=4 2748 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [1,0,0,1,0,0|2,0,0]=4 2749 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [1,0,0,1,0,0|2,0,0]=4 2750 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [1,0,0,1,0,0|1,0,0]=3 2751 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [1,0,0,1,0,0|1,0,0]=3 2752 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,0,0,1,0,0|0,0,1]=3 2753 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,0,0,1,0,0|0,0,1]=3 2754 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [1,0,0,1,0,0|1,0,1]=4 2755 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [1,0,0,1,0,0|1,0,1]=4 2756 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [1,0,0,1,0,0|1,1,0]=4 2757 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [1,0,0,1,0,0|1,1,0]=4 2758 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [1,0,0,1,0,0|1,0,0]=3 2759 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [1,0,0,1,0,0|1,0,0]=3 2760 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [1,0,0,1,0,0|1,0,0]=3 2761 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [1,0,0,1,0,0|1,0,0]=3 2762 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 2763 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [1,0,0,1,0,0|2,0,0]=4 2764 B12R2.44 COc1ccn2ccnc2c1 34a_100009863278_200000210301 [1,0,0,1,0,0|2,0,0]=4 2765 B12R2.44 COc1cnc2[nH]ccc2c1 34a_100000087691_200000210301 [1,0,0,1,0,0|2,0,0]=4 2766 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [1,0,0,1,0,0|1,1,0]=4 2767 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [1,0,0,1,0,0|0,1,1]=4 2768 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [1,0,0,1,0,0|0,1,1]=4 2769 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [1,0,0,1,0,0|0,1,1]=4 2770 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [1,0,0,1,0,0|0,1,1]=4 2771 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [1,0,0,1,0,0|1,1,0]=4 2772 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [1,0,0,1,0,0|0,1,1]=4 2773 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [1,0,0,1,0,0|0,2,0]=4 2774 B12R2.44 CSc1ccc2cscc2c1 62a_200000210301_200010760811 [1,0,0,1,0,0|1,1,0]=4 2775 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [1,0,0,1,0,0|1,1,0]=4 2776 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [1,0,0,1,0,0|1,1,0]=4 2777 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [1,0,0,1,0,0|1,0,1]=4 2778 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [1,0,0,1,0,0|2,0,0]=4 2779 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [1,0,0,1,0,0|2,0,0]=4 2780 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [1,0,0,1,0,0|1,0,0]=3 2781 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [1,0,0,1,0,0|1,0,0]=3 2782 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,0,0,1,0,0|0,0,1]=3 2783 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,0,0,1,0,0|0,0,1]=3 2784 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [1,0,0,1,0,0|1,0,1]=4 2785 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [1,0,0,1,0,0|1,0,1]=4 2786 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [1,0,0,1,0,0|1,1,0]=4 2787 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [1,0,0,1,0,0|1,1,0]=4 2788 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [1,0,0,1,0,0|1,0,0]=3 2789 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [1,0,0,1,0,0|1,0,0]=3 2790 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [1,0,0,1,0,0|1,0,0]=3 2791 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [1,0,0,1,0,0|1,0,0]=3 2792 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 2793 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [1,0,0,1,0,0|2,0,0]=4 2794 B12R2.44 [13CH3]Oc1ccn2ccnc2c1 34a_100009863278_200025704644 [1,0,0,1,0,0|2,0,0]=4 2795 B12R2.44 [13CH3]Oc1cnc2[nH]ccc2c1 34a_100000087691_200025704644 [1,0,0,1,0,0|2,0,0]=4 2796 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [1,0,0,1,0,0|1,1,0]=4 2797 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [1,0,0,1,0,0|0,1,1]=4 2798 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [1,0,0,1,0,0|0,1,1]=4 2799 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [1,0,0,1,0,0|0,1,1]=4 2800 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [1,0,0,1,0,0|0,1,1]=4 2801 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [1,0,0,1,0,0|1,1,0]=4 2802 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [1,0,0,1,0,0|0,1,1]=4 2803 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [1,0,0,1,0,0|0,2,0]=4 2804 B12R2.44 [13CH3]Sc1ccc2cscc2c1 62a_200025704644_200010760811 [1,0,0,1,0,0|1,1,0]=4 2805 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [1,0,0,1,0,0|1,1,0]=4 2806 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [1,0,0,1,0,0|1,1,0]=4 2807 B12R2.143 C=C=Cc1ccc2c(c1)CC2 271570a_100015277604_100009818592 [1,0,0,1,0,0|1,0,1]=4 2808 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [1,0,0,1,0,0|1,0,1]=4 2809 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,0,0,1,1,0|2,0,0]=4 2810 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,0,0,1,1,0|2,0,0]=4 2811 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,0,0,1,1,0|2,0,0]=4 2812 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,0,0,1,1,0|2,0,0]=4 2813 B14R2.134 C=Cc1ccc2ccc(=O)oc2c1 271570a_100011290941_100009993525 [0,1,0,1,0,0|1,0,1]=4 2814 B14R2.134 CNc1cc2[nH]c(=O)ccc2cn1 27a_100102657272_100010563892 [0,1,0,1,0,0|2,0,0]=4 2815 B14R2.134 CNc1ccc2ccc(cc2c1)Br 34a_100010090036_200000210301 [0,1,0,1,0,0|2,0,0]=4 2816 B14R2.134 CNc1ccc2ccc(cc2c1)Br 7a_100010090036_200000210301 [0,1,0,1,0,0|2,0,0]=4 2817 B14R2.134 CNc1ccc2ccc(cc2c1)O 34a_100015378740_200000210301 [0,1,0,1,0,0|1,0,1]=4 2818 B14R2.134 CNc1ccc2ccc(cc2c1)O 7a_100015378740_200000210301 [0,1,0,1,0,0|1,0,1]=4 2819 B14R2.134 COc1cc2cc(ccc2cn1)F 34a_200000101709_200000210301 [0,1,0,1,0,0|2,0,0]=4 2820 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200000210301 [0,1,0,1,0,0|0,0,2]=4 2821 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200000210301 [0,1,0,1,0,0|0,0,2]=4 2822 B14R2.134 COc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200000210301 [0,1,0,1,0,0|0,0,2]=4 2823 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200000210301 [0,1,0,1,0,0|1,0,1]=4 2824 B14R2.134 COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200000210301 [0,1,0,1,0,0|0,0,2]=4 2825 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [0,1,0,1,0,0|0,0,0]=2 2826 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [0,1,0,1,0,0|0,0,0]=2 2827 B14R2.134 COc1ccc2ccc(cc2c1)Br 34a_100009816537_200000210301 [0,1,0,1,0,0|1,0,0]=3 2828 B14R2.134 COc1ccc2ccc(cc2c1)Br 7a_100009816537_200000210301 [0,1,0,1,0,0|1,0,0]=3 2829 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [0,1,0,1,0,0|1,0,0]=3 2830 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [0,1,0,1,0,0|1,0,0]=3 2831 B14R2.134 COc1ccc2ccc(cc2c1)N 34a_100015378740_200000210301 [0,1,0,1,0,0|1,0,0]=3 2832 B14R2.134 COc1ccc2ccc(cc2c1)N 7a_100015378740_200000210301 [0,1,0,1,0,0|1,0,0]=3 2833 B14R2.134 COc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090027 [0,1,0,1,0,0|0,0,1]=3 2834 B14R2.134 COc1ccc2ccc(cc2n1)O 271570a_203496583355_100010248626 [0,1,0,1,0,0|1,0,1]=4 2835 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [0,1,0,1,0,0|1,0,0]=3 2836 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [0,1,0,1,0,0|1,0,0]=3 2837 B14R2.134 COc1ccc2ccc(nc2c1)Cl 34a_100000079174_200000210301 [0,1,0,1,0,0|1,0,0]=3 2838 B14R2.134 COc1ccc2ccc(nc2c1)Cl 7a_100000079174_200000210301 [0,1,0,1,0,0|1,0,0]=3 2839 B14R2.134 COc1ccc2ccc(nc2c1)O 271570a_203496583355_100009877240 [0,1,0,1,0,0|0,0,1]=3 2840 B14R2.134 COc1ccc2cnc(nc2c1)O 271570a_203496583355_100000059825 [0,1,0,1,0,0|1,0,1]=4 2841 B14R2.134 COc1ccc2ncc(cc2c1)Br 34a_100010137430_200000210301 [0,1,0,1,0,0|2,0,0]=4 2842 B14R2.134 COc1ccc2ncc(cc2c1)Br 7a_100010137430_200000210301 [0,1,0,1,0,0|2,0,0]=4 2843 B14R2.134 COc1ccc2ncc(cc2c1)Cl 34a_100009869629_200000210301 [0,1,0,1,0,0|2,0,0]=4 2844 B14R2.134 COc1ccc2ncc(cc2c1)Cl 7a_100009869629_200000210301 [0,1,0,1,0,0|2,0,0]=4 2845 B14R2.134 COc1ccc2ncc(cc2c1)F 34a_100009845357_200000210301 [0,1,0,1,0,0|2,0,0]=4 2846 B14R2.134 COc1ccc2ncc(cc2c1)F 7a_100009845357_200000210301 [0,1,0,1,0,0|2,0,0]=4 2847 B14R2.134 COc1ccc2ncc(cc2c1)O 271570a_203496583355_100000700671 [0,1,0,1,0,0|1,0,1]=4 2848 B14R2.134 COc1ccc2ncc(nc2c1)Cl 34a_200020640061_200000210301 [0,1,0,1,0,0|2,0,0]=4 2849 B14R2.134 COc1ccc2ncc(nc2c1)O 271570a_203496583355_100009882714 [0,1,0,1,0,0|1,0,1]=4 2850 B14R2.134 COc1cnc2ccc(cc2c1)Br 34a_100000703654_200000210301 [0,1,0,1,0,0|2,0,0]=4 2851 B14R2.134 COc1cnc2ccc(cc2c1)Br 7a_100000703654_200000210301 [0,1,0,1,0,0|2,0,0]=4 2852 B14R2.134 CSc1cc2[nH]c(=O)ccc2cn1 62a_200000210301_100010563892 [0,1,0,1,0,0|1,1,0]=4 2853 B14R2.134 CSc1ccc2ccc(=O)oc2c1 62a_200000210301_100009993525 [0,1,0,1,0,0|0,1,0]=3 2854 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_100010090036_200000210301 [0,1,0,1,0,0|1,1,0]=4 2855 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_200000210301_100010090036 [0,1,0,1,0,0|1,1,0]=4 2856 B14R2.134 CSc1ccc2ccc(cc2c1)O 62a_200000210301_100009816537 [0,1,0,1,0,0|0,1,1]=4 2857 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_100009817087_200000210301 [0,1,0,1,0,0|1,1,0]=4 2858 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_200000210301_100009817087 [0,1,0,1,0,0|1,1,0]=4 2859 B14R2.134 CSc1ccc2ccc(nc2c1)N 62a_100010187616_200000210301 [0,1,0,1,0,0|1,1,0]=4 2860 B14R2.134 CSc1ccc2ccc(nc2c1)O 62a_200000210301_100000690401 [0,1,0,1,0,0|0,1,1]=4 2861 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [0,1,0,1,0,0|1,0,0]=3 2862 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [0,1,0,1,0,0|1,0,0]=3 2863 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [0,1,0,1,0,0|1,0,0]=3 2864 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [0,1,0,1,0,0|1,0,0]=3 2865 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_100009817087_200025704644 [0,1,0,1,0,0|1,1,0]=4 2866 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_200025704644_100009817087 [0,1,0,1,0,0|1,1,0]=4 2867 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 34a_100010090036_200025704644 [0,1,0,1,0,0|2,0,0]=4 2868 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 7a_100010090036_200025704644 [0,1,0,1,0,0|2,0,0]=4 2869 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 34a_100015378740_200025704644 [0,1,0,1,0,0|1,0,1]=4 2870 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 7a_100015378740_200025704644 [0,1,0,1,0,0|1,0,1]=4 2871 B14R2.134 [13CH3]Oc1cc2cc(ccc2cn1)F 34a_200000101709_200025704644 [0,1,0,1,0,0|2,0,0]=4 2872 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200025704644 [0,1,0,1,0,0|0,0,2]=4 2873 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200025704644 [0,1,0,1,0,0|0,0,2]=4 2874 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200025704644 [0,1,0,1,0,0|0,0,2]=4 2875 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200025704644 [0,1,0,1,0,0|1,0,1]=4 2876 B14R2.134 [13CH3]Oc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200025704644 [0,1,0,1,0,0|0,0,2]=4 2877 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [0,1,0,1,0,0|0,0,0]=2 2878 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [0,1,0,1,0,0|0,0,0]=2 2879 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 34a_100009816537_200025704644 [0,1,0,1,0,0|1,0,0]=3 2880 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 7a_100009816537_200025704644 [0,1,0,1,0,0|1,0,0]=3 2881 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 34a_100015378740_200025704644 [0,1,0,1,0,0|1,0,0]=3 2882 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 7a_100015378740_200025704644 [0,1,0,1,0,0|1,0,0]=3 2883 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_200025704644 [0,1,0,1,0,0|1,0,0]=3 2884 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_200025704644 [0,1,0,1,0,0|1,0,0]=3 2885 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 34a_100010137430_200025704644 [0,1,0,1,0,0|2,0,0]=4 2886 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 7a_100010137430_200025704644 [0,1,0,1,0,0|2,0,0]=4 2887 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_200025704644 [0,1,0,1,0,0|2,0,0]=4 2888 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_200025704644 [0,1,0,1,0,0|2,0,0]=4 2889 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 34a_100009845357_200025704644 [0,1,0,1,0,0|2,0,0]=4 2890 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 7a_100009845357_200025704644 [0,1,0,1,0,0|2,0,0]=4 2891 B14R2.134 [13CH3]Oc1ccc2ncc(nc2c1)Cl 34a_200020640061_200025704644 [0,1,0,1,0,0|2,0,0]=4 2892 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 34a_100000703654_200025704644 [0,1,0,1,0,0|2,0,0]=4 2893 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 7a_100000703654_200025704644 [0,1,0,1,0,0|2,0,0]=4 2894 B14R2.134 [13CH3]Sc1cc2[nH]c(=O)ccc2cn1 62a_200025704644_100010563892 [0,1,0,1,0,0|1,1,0]=4 2895 B14R2.134 [13CH3]Sc1ccc2ccc(=O)oc2c1 62a_200025704644_100009993525 [0,1,0,1,0,0|0,1,0]=3 2896 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_100010090036_200025704644 [0,1,0,1,0,0|1,1,0]=4 2897 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_200025704644_100010090036 [0,1,0,1,0,0|1,1,0]=4 2898 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)O 62a_200025704644_100009816537 [0,1,0,1,0,0|0,1,1]=4 2899 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)N 62a_100010187616_200025704644 [0,1,0,1,0,0|1,1,0]=4 2900 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)O 62a_200025704644_100000690401 [0,1,0,1,0,0|0,1,1]=4 2901 B14R2.328 COc1ccc(cc1)C=CC2CC2 271570a_100102526188_100000171711 [0,1,0,1,0,0|1,0,1]=4 2902 B14R2.2496 CNc1ccc2c(c1)S(=O)(=O)C=C2 34a_100000040809_200000210301 [0,1,0,1,0,0|2,0,0]=4 2903 B14R2.2496 [13CH3]Nc1ccc2c(c1)S(=O)(=O)C=C2 34a_100000040809_200025704644 [0,1,0,1,0,0|2,0,0]=4 2904 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 34a_100000185457_200000210301 [0,1,0,1,0,0|2,0,0]=4 2905 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 7a_100000185457_200000210301 [0,1,0,1,0,0|2,0,0]=4 2906 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 27a_100102657272_200015509644 [0,1,0,1,0,0|2,0,0]=4 2907 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 34a_200010264087_200000210301 [0,1,0,1,0,0|2,0,0]=4 2908 B14R2.2332 COc1ccc2cc(ccc2c1)Br 34a_100000185455_200000210301 [0,1,0,1,0,0|1,0,0]=3 2909 B14R2.2332 COc1ccc2cc(ccc2c1)Br 7a_100000185455_200000210301 [0,1,0,1,0,0|1,0,0]=3 2910 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [0,1,0,1,0,0|1,0,0]=3 2911 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [0,1,0,1,0,0|1,0,0]=3 2912 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [0,1,0,1,0,0|1,0,0]=3 2913 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [0,1,0,1,0,0|1,0,0]=3 2914 B14R2.2332 COc1ccc2cc(ccc2c1)F 34a_100009847029_200000210301 [0,1,0,1,0,0|1,0,0]=3 2915 B14R2.2332 COc1ccc2cc(ccc2c1)F 7a_100009847029_200000210301 [0,1,0,1,0,0|1,0,0]=3 2916 B14R2.2332 COc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170439 [0,1,0,1,0,0|1,0,0]=3 2917 B14R2.2332 COc1ccc2cc(ccc2n1)O 271570a_203496583355_100009817092 [0,1,0,1,0,0|2,0,0]=4 2918 B14R2.2332 COc1ccc2cc(cnc2c1)Br 34a_200010153753_200000210301 [0,1,0,1,0,0|1,0,0]=3 2919 B14R2.2332 COc1ccc2cc(cnc2c1)Br 7a_200010153753_200000210301 [0,1,0,1,0,0|1,0,0]=3 2920 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [0,1,0,1,0,0|2,0,0]=4 2921 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [0,1,0,1,0,0|2,0,0]=4 2922 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 34a_100009849208_200000210301 [0,1,0,1,0,0|2,0,0]=4 2923 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 7a_100009849208_200000210301 [0,1,0,1,0,0|2,0,0]=4 2924 B14R2.2332 COc1ccc2nc(ccc2c1)O 271570a_203496583355_100000743015 [0,1,0,1,0,0|2,0,0]=4 2925 B14R2.2332 COc1ccc2nc(cnc2c1)Cl 34a_200010664160_200000210301 [0,1,0,1,0,0|2,0,0]=4 2926 B14R2.2332 COc1ccc2nc(cnc2c1)O 271570a_203496583355_100009843035 [0,1,0,1,0,0|2,0,0]=4 2927 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [0,1,0,1,0,0|2,0,0]=4 2928 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [0,1,0,1,0,0|2,0,0]=4 2929 B14R2.2332 COc1cnc2cc(ccc2c1)F 34a_100012184162_200000210301 [0,1,0,1,0,0|2,0,0]=4 2930 B14R2.2332 COc1cnc2cc(ccc2c1)F 7a_100012184162_200000210301 [0,1,0,1,0,0|2,0,0]=4 2931 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_100012344972_200000210301 [0,1,0,1,0,0|1,1,0]=4 2932 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_200000210301_100012344972 [0,1,0,1,0,0|1,1,0]=4 2933 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_100009817052_200000210301 [0,1,0,1,0,0|1,1,0]=4 2934 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_200000210301_100009817052 [0,1,0,1,0,0|1,1,0]=4 2935 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_100000185457_200000210301 [0,1,0,1,0,0|1,1,0]=4 2936 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_200000210301_100000185457 [0,1,0,1,0,0|1,1,0]=4 2937 B14R2.2332 CSc1ccc2cc(ccc2c1)O 62a_200000210301_100000185455 [0,1,0,1,0,0|1,1,0]=4 2938 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200000210301_200015509644 [0,1,0,1,0,0|1,1,0]=4 2939 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200015509644_200000210301 [0,1,0,1,0,0|1,1,0]=4 2940 B14R2.2332 CSc1ccc2cc(cnc2c1)C 62a_200000210301_100010751441 [0,1,0,1,0,0|1,1,0]=4 2941 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_100010751466_200000210301 [0,1,0,1,0,0|1,1,0]=4 2942 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_200000210301_100010751466 [0,1,0,1,0,0|1,1,0]=4 2943 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_100010142226_200000210301 [0,1,0,1,0,0|1,1,0]=4 2944 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_200000210301_100010142226 [0,1,0,1,0,0|1,1,0]=4 2945 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [0,1,0,1,0,0|1,0,0]=3 2946 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [0,1,0,1,0,0|1,0,0]=3 2947 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [0,1,0,1,0,0|2,0,0]=4 2948 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [0,1,0,1,0,0|2,0,0]=4 2949 B14R2.2332 Cc1cnc2cc(ccc2c1)S[13CH3] 62a_200025704644_100010751441 [0,1,0,1,0,0|1,1,0]=4 2950 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 34a_100000185457_200025704644 [0,1,0,1,0,0|2,0,0]=4 2951 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 7a_100000185457_200025704644 [0,1,0,1,0,0|2,0,0]=4 2952 B14R2.2332 [13CH3]Nc1ccc2cc(cnc2c1)Br 34a_200010264087_200025704644 [0,1,0,1,0,0|2,0,0]=4 2953 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 34a_100000185455_200025704644 [0,1,0,1,0,0|1,0,0]=3 2954 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 7a_100000185455_200025704644 [0,1,0,1,0,0|1,0,0]=3 2955 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [0,1,0,1,0,0|1,0,0]=3 2956 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [0,1,0,1,0,0|1,0,0]=3 2957 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 34a_100009847029_200025704644 [0,1,0,1,0,0|1,0,0]=3 2958 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 7a_100009847029_200025704644 [0,1,0,1,0,0|1,0,0]=3 2959 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 34a_200010153753_200025704644 [0,1,0,1,0,0|1,0,0]=3 2960 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 7a_200010153753_200025704644 [0,1,0,1,0,0|1,0,0]=3 2961 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_200025704644 [0,1,0,1,0,0|2,0,0]=4 2962 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_200025704644 [0,1,0,1,0,0|2,0,0]=4 2963 B14R2.2332 [13CH3]Oc1ccc2nc(cnc2c1)Cl 34a_200010664160_200025704644 [0,1,0,1,0,0|2,0,0]=4 2964 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [0,1,0,1,0,0|2,0,0]=4 2965 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [0,1,0,1,0,0|2,0,0]=4 2966 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 34a_100012184162_200025704644 [0,1,0,1,0,0|2,0,0]=4 2967 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 7a_100012184162_200025704644 [0,1,0,1,0,0|2,0,0]=4 2968 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_100012344972_200025704644 [0,1,0,1,0,0|1,1,0]=4 2969 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_200025704644_100012344972 [0,1,0,1,0,0|1,1,0]=4 2970 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_100009817052_200025704644 [0,1,0,1,0,0|1,1,0]=4 2971 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_200025704644_100009817052 [0,1,0,1,0,0|1,1,0]=4 2972 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_100000185457_200025704644 [0,1,0,1,0,0|1,1,0]=4 2973 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_200025704644_100000185457 [0,1,0,1,0,0|1,1,0]=4 2974 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)O 62a_200025704644_100000185455 [0,1,0,1,0,0|1,1,0]=4 2975 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200015509644_200025704644 [0,1,0,1,0,0|1,1,0]=4 2976 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200025704644_200015509644 [0,1,0,1,0,0|1,1,0]=4 2977 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_100010751466_200025704644 [0,1,0,1,0,0|1,1,0]=4 2978 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_200025704644_100010751466 [0,1,0,1,0,0|1,1,0]=4 2979 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_100010142226_200025704644 [0,1,0,1,0,0|1,1,0]=4 2980 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_200025704644_100010142226 [0,1,0,1,0,0|1,1,0]=4 2981 B14R2.3274 CN1Cc2ccc(cc2C1=O)O[13CH3] 34a_100010264224_200025704644 [0,1,0,1,0,0|1,0,1]=4 2982 B14R2.3274 CN1Cc2ccc(cc2C1=O)O[13CH3] 7a_100010264224_200025704644 [0,1,0,1,0,0|1,0,1]=4 2983 B14R2.3274 COc1ccc2c(c1)C(=O)N(C2)C 34a_100010264224_200000210301 [0,1,0,1,0,0|1,0,1]=4 2984 B14R2.3274 COc1ccc2c(c1)C(=O)N(C2)C 7a_100010264224_200000210301 [0,1,0,1,0,0|1,0,1]=4 2985 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200000210301 [0,1,0,1,0,0|1,1,0]=4 2986 B14R2.3274 CSc1ccc2c(c1)C(=O)C(=O)N2 62a_200000210301_100000024671 [0,1,0,1,0,0|1,1,0]=4 2987 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_100000024671_200025704644 [0,1,0,1,0,0|1,1,0]=4 2988 B14R2.3274 [13CH3]Sc1ccc2c(c1)C(=O)C(=O)N2 62a_200025704644_100000024671 [0,1,0,1,0,0|1,1,0]=4 2989 B14R2.3304 C=Cc1ccc2cc([nH]c2c1)C=O 271570a_100011290941_100000736022 [0,1,0,1,0,0|1,0,1]=4 2990 B14R2.3304 C=Cc1ccc2cc(sc2c1)C=O 271570a_100011290941_100009814784 [0,1,0,1,0,0|1,0,1]=4 2991 B14R2.3304 C=Cc1nc2ccc(cc2s1)OC 271570a_100011290941_100010195960 [0,1,0,1,0,0|2,0,0]=4 2992 B14R2.3304 CSc1ccc2[nH]c(cc2c1)C=O 62a_200000210301_100009820874 [0,1,0,1,0,0|1,1,0]=4 2993 B14R2.3304 CSc1ccc2cc([nH]c2c1)C=O 62a_200000210301_100000736022 [0,1,0,1,0,0|0,1,0]=3 2994 B14R2.3304 CSc1ccc2cc(sc2c1)C=O 62a_100009814784_200000210301 [0,1,0,1,0,0|0,1,0]=3 2995 B14R2.3304 CSc1ccc2cc(sc2c1)C=O 62a_200000210301_100009814784 [0,1,0,1,0,0|0,1,0]=3 2996 B14R2.3304 CSc1ccc2oc(cc2c1)C=O 62a_200000210301_100000755920 [0,1,0,1,0,0|1,1,0]=4 2997 B14R2.3304 CSc1ccc2sc(cc2c1)C=O 62a_100010238522_200000210301 [0,1,0,1,0,0|1,1,0]=4 2998 B14R2.3304 CSc1ccc2sc(cc2c1)C=O 62a_200000210301_100010238522 [0,1,0,1,0,0|1,1,0]=4 2999 B14R2.3304 CSc1ccn2cc(nc2c1)C=O 62a_100000731868_200000210301 [0,1,0,1,0,0|1,1,0]=4 3000 B14R2.3304 CSc1ccn2cc(nc2c1)C=O 62a_200000210301_100000731868 [0,1,0,1,0,0|1,1,0]=4 3001 B14R2.3304 [13CH3]Sc1ccc2[nH]c(cc2c1)C=O 62a_200025704644_100009820874 [0,1,0,1,0,0|1,1,0]=4 3002 B14R2.3304 [13CH3]Sc1ccc2cc([nH]c2c1)C=O 62a_200025704644_100000736022 [0,1,0,1,0,0|0,1,0]=3 3003 B14R2.3304 [13CH3]Sc1ccc2cc(sc2c1)C=O 62a_100009814784_200025704644 [0,1,0,1,0,0|0,1,0]=3 3004 B14R2.3304 [13CH3]Sc1ccc2cc(sc2c1)C=O 62a_200025704644_100009814784 [0,1,0,1,0,0|0,1,0]=3 3005 B14R2.3304 [13CH3]Sc1ccc2oc(cc2c1)C=O 62a_200025704644_100000755920 [0,1,0,1,0,0|1,1,0]=4 3006 B14R2.3304 [13CH3]Sc1ccc2sc(cc2c1)C=O 62a_100010238522_200025704644 [0,1,0,1,0,0|1,1,0]=4 3007 B14R2.3304 [13CH3]Sc1ccc2sc(cc2c1)C=O 62a_200025704644_100010238522 [0,1,0,1,0,0|1,1,0]=4 3008 B14R2.3304 [13CH3]Sc1ccn2cc(nc2c1)C=O 62a_100000731868_200025704644 [0,1,0,1,0,0|1,1,0]=4 3009 B14R2.3304 [13CH3]Sc1ccn2cc(nc2c1)C=O 62a_200025704644_100000731868 [0,1,0,1,0,0|1,1,0]=4 3010 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [0,1,0,1,0,0|2,0,0]=4 3011 B14R2.781 C=C(C)c1ccc2cccnc2c1 271570a_100000694244_100009816655 [0,1,0,1,0,0|2,0,0]=4 3012 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,1,0,1,0,0|2,0,0]=4 3013 B14R2.781 CC(=O)c1ccc2cccnc2c1 1458a_100011933907_200000210301 [0,1,0,1,0,0|2,0,0]=4 3014 B14R2.781 CN(C)c1ccc2ccccc2c1 2230a_100000181211_200000210301 [0,1,0,1,0,0|2,0,0]=4 3015 B14R2.781 CN(C)c1ccc2ccccc2c1 269982a_100000181211_200000210301 [0,1,0,1,0,0|2,0,0]=4 3016 B14R2.781 CN(C)c1ccc2ccccc2c1 34a_100000181211_200000210301 [0,1,0,1,0,0|2,0,0]=4 3017 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 2230a_100000181211_200025704644 [0,1,0,1,0,0|2,0,0]=4 3018 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 269982a_100000181211_200025704644 [0,1,0,1,0,0|2,0,0]=4 3019 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 34a_100000181211_200025704644 [0,1,0,1,0,0|2,0,0]=4 3020 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,1,0,1,0,0|2,0,0]=4 3021 B14R2.781 [13CH3]C(=O)c1ccc2cccnc2c1 1458a_100011933907_200025704644 [0,1,0,1,0,0|2,0,0]=4 3022 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [0,1,0,1,0,0|2,0,0]=4 3023 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [0,1,0,1,0,0|2,0,0]=4 3024 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [0,1,0,1,0,0|1,0,0]=3 3025 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [0,1,0,1,0,0|1,0,0]=3 3026 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,1,0,1,0,0|1,0,0]=3 3027 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [0,1,0,1,0,0|2,0,0]=4 3028 B14R2.1019 COc1cc(c2cccnc2c1)O 271570a_203496583355_100010248855 [0,1,0,1,0,0|1,0,0]=3 3029 B14R2.1019 COc1cc(c2cnccc2c1)Br 34a_100011009069_200000210301 [0,1,0,1,0,0|2,0,0]=4 3030 B14R2.1019 COc1cc(c2cnccc2c1)Br 7a_100011009069_200000210301 [0,1,0,1,0,0|2,0,0]=4 3031 B14R2.1019 COc1cc(c2ncccc2c1)Cl 34a_100000097192_200000210301 [0,1,0,1,0,0|2,0,0]=4 3032 B14R2.1019 COc1cc(c2ncccc2c1)Cl 7a_100000097192_200000210301 [0,1,0,1,0,0|2,0,0]=4 3033 B14R2.1019 COc1cc(c2ncccc2c1)F 34a_100009888031_200000210301 [0,1,0,1,0,0|2,0,0]=4 3034 B14R2.1019 COc1cc(c2ncccc2c1)F 7a_100009888031_200000210301 [0,1,0,1,0,0|2,0,0]=4 3035 B14R2.1019 COc1cc(c2ncccc2c1)N 34a_100000083691_200000210301 [0,1,0,1,0,0|2,0,0]=4 3036 B14R2.1019 COc1cc(c2ncccc2c1)O 271570a_203496583355_200010235761 [0,1,0,1,0,0|2,0,0]=4 3037 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [0,1,0,1,0,0|1,1,0]=4 3038 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [0,1,0,1,0,0|1,1,0]=4 3039 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,1,0,1,0,0|1,1,0]=4 3040 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200000210301_200010263263 [0,1,0,1,0,0|1,1,0]=4 3041 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200010263263_200000210301 [0,1,0,1,0,0|1,1,0]=4 3042 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [0,1,0,1,0,0|2,0,0]=4 3043 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [0,1,0,1,0,0|2,0,0]=4 3044 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [0,1,0,1,0,0|1,0,0]=3 3045 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [0,1,0,1,0,0|1,0,0]=3 3046 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 34a_100011009069_200025704644 [0,1,0,1,0,0|2,0,0]=4 3047 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 7a_100011009069_200025704644 [0,1,0,1,0,0|2,0,0]=4 3048 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 34a_100000097192_200025704644 [0,1,0,1,0,0|2,0,0]=4 3049 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 7a_100000097192_200025704644 [0,1,0,1,0,0|2,0,0]=4 3050 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 34a_100009888031_200025704644 [0,1,0,1,0,0|2,0,0]=4 3051 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 7a_100009888031_200025704644 [0,1,0,1,0,0|2,0,0]=4 3052 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)N 34a_100000083691_200025704644 [0,1,0,1,0,0|2,0,0]=4 3053 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [0,1,0,1,0,0|1,1,0]=4 3054 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [0,1,0,1,0,0|1,1,0]=4 3055 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,1,0,1,0,0|1,1,0]=4 3056 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200010263263_200025704644 [0,1,0,1,0,0|1,1,0]=4 3057 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200025704644_200010263263 [0,1,0,1,0,0|1,1,0]=4 3058 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [0,1,0,1,0,0|2,0,0]=4 3059 B14R2.112 CC=Cc1ccc2cccnc2c1 271570a_100016259895_100009816655 [0,1,0,1,0,0|2,0,0]=4 3060 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [0,1,0,1,0,0|2,0,0]=4 3061 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [0,1,0,1,0,0|2,0,0]=4 3062 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [0,1,0,1,0,0|2,0,0]=4 3063 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [0,1,0,1,0,0|1,0,0]=3 3064 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [0,1,0,1,0,0|1,0,0]=3 3065 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [0,1,0,1,0,0|1,0,0]=3 3066 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [0,1,0,1,0,0|2,0,0]=4 3067 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [0,1,0,1,0,0|2,0,0]=4 3068 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [0,1,0,1,0,0|2,0,0]=4 3069 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [0,1,0,1,0,0|2,0,0]=4 3070 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [0,1,0,1,0,0|2,0,0]=4 3071 B14R2.112 CCOc1ccc2nccnc2c1 34a_100000694412_100000210202 [0,1,0,1,0,0|2,0,0]=4 3072 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [0,1,0,1,0,0|2,0,0]=4 3073 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [0,1,0,1,0,0|2,0,0]=4 3074 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [0,1,0,1,0,0|1,1,0]=4 3075 B14R2.112 CCSc1ccc2cccnc2c1 62a_100000210202_100009816655 [0,1,0,1,0,0|1,1,0]=4 3076 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [0,1,0,1,0,0|2,0,0]=4 3077 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [0,1,0,1,0,0|2,0,0]=4 3078 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [0,1,0,1,0,0|2,0,0]=4 3079 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [0,1,0,1,0,0|2,0,0]=4 3080 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [0,1,0,1,0,0|2,0,0]=4 3081 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [0,1,0,1,0,0|2,0,0]=4 3082 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [0,1,0,1,0,0|2,0,0]=4 3083 B14R2.112 CNCc1ccc2cccnc2c1 207a_100102657272_100011784159 [0,1,0,1,0,0|2,0,0]=4 3084 B14R2.112 CNCc1ccc2cccnc2c1 270004a_106832991635_100011784159 [0,1,0,1,0,0|2,0,0]=4 3085 B14R2.112 COCc1cc2ccccc2cn1 34a_100138415774_100009869231 [0,1,0,1,0,0|2,0,0]=4 3086 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [0,1,0,1,0,0|1,0,0]=3 3087 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [0,1,0,1,0,0|1,0,0]=3 3088 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [0,1,0,1,0,0|1,0,0]=3 3089 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [0,1,0,1,0,0|2,0,0]=4 3090 B14R2.112 COCc1ccc2cnccc2c1 34a_100138415774_100020605334 [0,1,0,1,0,0|2,0,0]=4 3091 B14R2.112 COCc1ccc2ncccc2c1 34a_100011315636_200000210301 [0,1,0,1,0,0|2,0,0]=4 3092 B14R2.112 COCc1ccc2ncccc2c1 34a_100138415774_100000703657 [0,1,0,1,0,0|2,0,0]=4 3093 B14R2.112 COCc1cnc2ccccc2c1 34a_100011258773_200000210301 [0,1,0,1,0,0|2,0,0]=4 3094 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [0,1,0,1,0,0|1,1,0]=4 3095 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [0,1,0,1,0,0|1,1,0]=4 3096 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [0,1,0,1,0,0|2,0,0]=4 3097 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [0,1,0,1,0,0|2,0,0]=4 3098 B14R2.112 FCNc1ccc2cccnc2c1 34a_100102887122_100015361967 [0,1,0,1,0,0|2,0,0]=4 3099 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [0,1,0,1,0,0|1,0,0]=3 3100 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [0,1,0,1,0,0|1,0,0]=3 3101 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [0,1,0,1,0,0|1,0,0]=3 3102 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [0,1,0,1,0,0|2,0,0]=4 3103 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [0,1,0,1,0,0|2,0,0]=4 3104 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [0,1,0,1,0,0|2,0,0]=4 3105 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [0,1,0,1,0,0|2,0,0]=4 3106 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [0,1,0,1,0,0|2,0,0]=4 3107 B14R2.112 FCOc1ccc2nccnc2c1 34a_100000694412_100015361967 [0,1,0,1,0,0|2,0,0]=4 3108 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [0,1,0,1,0,0|2,0,0]=4 3109 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [0,1,0,1,0,0|2,0,0]=4 3110 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [0,1,0,1,0,0|1,1,0]=4 3111 B14R2.112 FCSc1ccc2cccnc2c1 62a_100015361967_100009816655 [0,1,0,1,0,0|1,1,0]=4 3112 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [0,1,0,1,0,0|2,0,0]=4 3113 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [0,1,0,1,0,0|2,0,0]=4 3114 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [0,1,0,1,0,0|1,0,0]=3 3115 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [0,1,0,1,0,0|1,0,0]=3 3116 B14R2.112 [13CH3]OCc1ccc2ncccc2c1 34a_100011315636_200025704644 [0,1,0,1,0,0|2,0,0]=4 3117 B14R2.112 [13CH3]OCc1cnc2ccccc2c1 34a_100011258773_200025704644 [0,1,0,1,0,0|2,0,0]=4 3118 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [0,1,0,1,0,0|1,1,0]=4 3119 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [0,1,0,1,0,0|1,1,0]=4 3120 B14R2.475 CCOc1ccc2[nH]cc(c2c1)C 34a_100000131216_100000210202 [0,1,0,1,0,0|2,0,0]=4 3121 B14R2.475 CCOc1ccc2c(c1)C(=O)CC2 34a_100009827925_100000210202 [0,1,0,1,0,0|0,0,2]=4 3122 B14R2.475 CCOc1ccc2c(c1)C(=O)CC2 7a_100009827925_100000210202 [0,1,0,1,0,0|0,0,2]=4 3123 B14R2.475 CCOc1ccc2c(c1)C(=O)NC2 34a_100000087830_100000210202 [0,1,0,1,0,0|1,0,1]=4 3124 B14R2.475 COCc1ccc2ccn(c2c1)C 34a_100011934851_200000210301 [0,1,0,1,0,0|2,0,0]=4 3125 B14R2.475 Cc1c[nH]c2c1cc(cc2)OCF 34a_100000131216_100015361967 [0,1,0,1,0,0|2,0,0]=4 3126 B14R2.475 Cn1ccc2c1cc(cc2)CO[13CH3] 34a_100011934851_200025704644 [0,1,0,1,0,0|2,0,0]=4 3127 B14R2.475 O=C1CCc2c1cc(cc2)OCF 34a_100009827925_100015361967 [0,1,0,1,0,0|0,0,2]=4 3128 B14R2.475 O=C1CCc2c1cc(cc2)OCF 7a_100009827925_100015361967 [0,1,0,1,0,0|0,0,2]=4 3129 B14R2.475 O=C1NCc2c1cc(cc2)OCF 34a_100000087830_100015361967 [0,1,0,1,0,0|1,0,1]=4 3130 B14R2.991 O=CCNc1ccc2c(c1)CCO2 2230a_100000736984_200015260668 [0,1,0,1,0,0|1,0,1]=4 3131 B14R2.991 O=CCNc1ccc2c(c1)CCO2 34a_100000736984_200009817547 [0,1,0,1,0,0|1,0,1]=4 3132 B14R2.991 O=CCNc1ccc2c(c1)COC2 2230a_100011728444_200015260668 [0,1,0,1,0,0|1,0,1]=4 3133 B14R2.991 O=CCNc1ccc2c(c1)COC2 34a_100011728444_200009817547 [0,1,0,1,0,0|1,0,1]=4 3134 B14R2.991 O=CCNc1ccc2c(c1)OCO2 2230a_100000209953_200015260668 [0,1,0,1,0,0|1,0,1]=4 3135 B14R2.991 O=CCNc1ccc2c(c1)OCO2 34a_100000209953_200009817547 [0,1,0,1,0,0|1,0,1]=4 3136 B14R2.991 O=CCOc1ccc2c(c1)OCO2 34a_100000210298_200009817547 [0,1,0,1,0,0|1,0,1]=4 3137 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_100000729065_200015260668 [0,1,0,1,0,0|1,0,1]=4 3138 B14R2.991 O=CCSc1ccc2c(c1)CCO2 62a_200015260668_100000729065 [0,1,0,1,0,0|1,0,1]=4 3139 B14R2.991 O=CCSc1ccc2c(c1)COC2 62a_100000698232_200015260668 [0,1,0,1,0,0|1,0,1]=4 3140 B14R2.991 O=CCSc1ccc2c(c1)COC2 62a_200015260668_100000698232 [0,1,0,1,0,0|1,0,1]=4 3141 B14R2.1 CCc1ccc(cc1)c2c[nH]cn2 271570a_100000767149_100000756875 [0,1,0,1,0,0|2,0,0]=4 3142 B14R2.1 CCc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100011215824 [0,1,0,1,0,0|2,0,0]=4 3143 B14R2.1 CCc1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100011215824 [0,1,0,1,0,0|2,0,0]=4 3144 B14R2.1 CCc1ccc(cc1)c2cc[nH]n2 271570a_100000767149_100000062575 [0,1,0,1,0,0|2,0,0]=4 3145 B14R2.1 CCc1ccc(cc1)c2ccco2 271570a_100000750936_100011215824 [0,1,0,1,0,0|1,0,1]=4 3146 B14R2.1 CCc1ccc(cc1)c2ccco2 271570a_100000767149_100009814098 [0,1,0,1,0,0|1,0,1]=4 3147 B14R2.1 CCc1ccc(cc1)c2cccs2 271570a_100000742291_100011215824 [0,1,0,1,0,0|1,1,0]=4 3148 B14R2.1 CCc1ccc(cc1)c2cccs2 271570a_100000767149_100011215356 [0,1,0,1,0,0|1,1,0]=4 3149 B14R2.1 CCc1ccc(cc1)c2ccoc2 271570a_100000767149_100011215275 [0,1,0,1,0,0|1,0,1]=4 3150 B14R2.1 CCc1ccc(cc1)c2ccoc2 271570a_100011218838_100011215824 [0,1,0,1,0,0|1,0,1]=4 3151 B14R2.1 CCc1ccc(cc1)c2ccsc2 271570a_100000767149_100000738268 [0,1,0,1,0,0|1,1,0]=4 3152 B14R2.1 CCc1ccc(cc1)c2ccsc2 271570a_100011934443_100011215824 [0,1,0,1,0,0|1,1,0]=4 3153 B14R2.1 CCc1ccc(cc1)c2ccsn2 271570a_100000767149_100009818082 [0,1,0,1,0,0|1,1,0]=4 3154 B14R2.1 CCc1ccc(cc1)c2cnco2 271570a_100000767149_100020591547 [0,1,0,1,0,0|1,0,1]=4 3155 B14R2.1 CCc1ccc(cc1)c2cncs2 271570a_100000767149_100011934649 [0,1,0,1,0,0|1,1,0]=4 3156 B14R2.1 CCc1ccc(cc1)c2cncs2 271570a_100010231675_100011215824 [0,1,0,1,0,0|1,1,0]=4 3157 B14R2.1 CCc1ccc(cc1)c2cscn2 271570a_100000767149_100000751502 [0,1,0,1,0,0|2,0,0]=4 3158 B14R2.1 CCc1ccc(cc1)c2ncc[nH]2 271570a_100000767149_100025796157 [0,1,0,1,0,0|2,0,0]=4 3159 B14R2.1 CCc1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100011215824 [0,1,0,1,0,0|2,0,0]=4 3160 B14R2.1 CCc1ccc(cc1)c2ncco2 271570a_100000767149_100011787736 [0,1,0,1,0,0|1,0,1]=4 3161 B14R2.1 CCc1ccc(cc1)c2nccs2 271570a_100000767149_100000211983 [0,1,0,1,0,0|1,1,0]=4 3162 B14R2.1 CNc1ccc(cc1)c2c[nH]cn2 271570a_100160571855_100000756875 [0,1,0,1,0,0|2,0,0]=4 3163 B14R2.1 CNc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000219623 [0,1,0,1,0,0|2,0,0]=4 3164 B14R2.1 CNc1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000219623 [0,1,0,1,0,0|2,0,0]=4 3165 B14R2.1 CNc1ccc(cc1)c2cc[nH]n2 271570a_100160571855_100000062575 [0,1,0,1,0,0|2,0,0]=4 3166 B14R2.1 CNc1ccc(cc1)c2ccco2 2230a_100011217094_200000210301 [0,1,0,1,0,0|1,0,1]=4 3167 B14R2.1 CNc1ccc(cc1)c2ccco2 271570a_100000750936_100000219623 [0,1,0,1,0,0|1,0,1]=4 3168 B14R2.1 CNc1ccc(cc1)c2ccco2 271570a_100160571855_100009814098 [0,1,0,1,0,0|1,0,1]=4 3169 B14R2.1 CNc1ccc(cc1)c2ccco2 34a_100011217094_200000210301 [0,1,0,1,0,0|1,0,1]=4 3170 B14R2.1 CNc1ccc(cc1)c2cccs2 271570a_100000742291_100000219623 [0,1,0,1,0,0|1,1,0]=4 3171 B14R2.1 CNc1ccc(cc1)c2cccs2 271570a_100160571855_100011215356 [0,1,0,1,0,0|1,1,0]=4 3172 B14R2.1 CNc1ccc(cc1)c2cccs2 34a_200020605263_200000210301 [0,1,0,1,0,0|1,1,0]=4 3173 B14R2.1 CNc1ccc(cc1)c2ccno2 34a_100011233752_200000210301 [0,1,0,1,0,0|1,0,1]=4 3174 B14R2.1 CNc1ccc(cc1)c2ccoc2 271570a_100011218838_100000219623 [0,1,0,1,0,0|1,0,1]=4 3175 B14R2.1 CNc1ccc(cc1)c2ccoc2 271570a_100160571855_100011215275 [0,1,0,1,0,0|1,0,1]=4 3176 B14R2.1 CNc1ccc(cc1)c2ccsc2 2230a_100000734147_200000210301 [0,1,0,1,0,0|1,1,0]=4 3177 B14R2.1 CNc1ccc(cc1)c2ccsc2 271570a_100011934443_100000219623 [0,1,0,1,0,0|1,1,0]=4 3178 B14R2.1 CNc1ccc(cc1)c2ccsc2 271570a_100160571855_100000738268 [0,1,0,1,0,0|1,1,0]=4 3179 B14R2.1 CNc1ccc(cc1)c2ccsc2 34a_100000734147_200000210301 [0,1,0,1,0,0|1,1,0]=4 3180 B14R2.1 CNc1ccc(cc1)c2ccsn2 271570a_100160571855_100009818082 [0,1,0,1,0,0|1,1,0]=4 3181 B14R2.1 CNc1ccc(cc1)c2cnco2 271570a_100160571855_100020591547 [0,1,0,1,0,0|1,0,1]=4 3182 B14R2.1 CNc1ccc(cc1)c2cnco2 34a_100000041625_200000210301 [0,1,0,1,0,0|1,0,1]=4 3183 B14R2.1 CNc1ccc(cc1)c2cncs2 2230a_100000123287_200000210301 [0,1,0,1,0,0|1,1,0]=4 3184 B14R2.1 CNc1ccc(cc1)c2cncs2 271570a_100010231675_100000219623 [0,1,0,1,0,0|1,1,0]=4 3185 B14R2.1 CNc1ccc(cc1)c2cncs2 271570a_100160571855_100011934649 [0,1,0,1,0,0|1,1,0]=4 3186 B14R2.1 CNc1ccc(cc1)c2cncs2 34a_100000123287_200000210301 [0,1,0,1,0,0|1,1,0]=4 3187 B14R2.1 CNc1ccc(cc1)c2cscn2 271570a_100160571855_100000751502 [0,1,0,1,0,0|2,0,0]=4 3188 B14R2.1 CNc1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000219623 [0,1,0,1,0,0|2,0,0]=4 3189 B14R2.1 CNc1ccc(cc1)c2ncc[nH]2 271570a_100160571855_100025796157 [0,1,0,1,0,0|2,0,0]=4 3190 B14R2.1 CNc1ccc(cc1)c2ncco2 271570a_100160571855_100011787736 [0,1,0,1,0,0|1,0,1]=4 3191 B14R2.1 CNc1ccc(cc1)c2ncco2 34a_100000695477_200000210301 [0,1,0,1,0,0|1,0,1]=4 3192 B14R2.1 CNc1ccc(cc1)c2nccs2 271570a_100160571855_100000211983 [0,1,0,1,0,0|1,1,0]=4 3193 B14R2.1 CNc1ccc(cc1)c2nccs2 34a_100000741104_200000210301 [0,1,0,1,0,0|1,1,0]=4 3194 B14R2.1 CNc1ccc(cc1)n2cccc2 34a_100000215677_200000210301 [0,1,0,1,0,0|2,0,0]=4 3195 B14R2.1 CNc1ccc(cc1)n2cccn2 34a_100000689363_200000210301 [0,1,0,1,0,0|2,0,0]=4 3196 B14R2.1 COc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000171711 [0,1,0,1,0,0|1,0,1]=4 3197 B14R2.1 COc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000171711 [0,1,0,1,0,0|0,0,2]=4 3198 B14R2.1 COc1ccc(cc1)C2=COCC2 271570a_100000118173_100000171711 [0,1,0,1,0,0|1,0,1]=4 3199 B14R2.1 COc1ccc(cc1)c2c[nH]cn2 271570a_100000754496_100000756875 [0,1,0,1,0,0|1,0,0]=3 3200 B14R2.1 COc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000171711 [0,1,0,1,0,0|1,0,0]=3 3201 B14R2.1 COc1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000171711 [0,1,0,1,0,0|1,0,0]=3 3202 B14R2.1 COc1ccc(cc1)c2cc[nH]n2 271570a_100000754496_100000062575 [0,1,0,1,0,0|1,0,0]=3 3203 B14R2.1 COc1ccc(cc1)c2ccco2 271570a_100000750936_100000171711 [0,1,0,1,0,0|0,0,1]=3 3204 B14R2.1 COc1ccc(cc1)c2ccco2 271570a_100000754496_100009814098 [0,1,0,1,0,0|0,0,1]=3 3205 B14R2.1 COc1ccc(cc1)c2cccs2 271570a_100000742291_100000171711 [0,1,0,1,0,0|0,1,0]=3 3206 B14R2.1 COc1ccc(cc1)c2cccs2 271570a_100000754496_100011215356 [0,1,0,1,0,0|0,1,0]=3 3207 B14R2.1 COc1ccc(cc1)c2cccs2 34a_200011934525_200000210301 [0,1,0,1,0,0|0,1,0]=3 3208 B14R2.1 COc1ccc(cc1)c2cccs2 7a_200011934525_200000210301 [0,1,0,1,0,0|0,1,0]=3 3209 B14R2.1 COc1ccc(cc1)c2ccoc2 271570a_100000754496_100011215275 [0,1,0,1,0,0|0,0,1]=3 3210 B14R2.1 COc1ccc(cc1)c2ccoc2 271570a_100011218838_100000171711 [0,1,0,1,0,0|0,0,1]=3 3211 B14R2.1 COc1ccc(cc1)c2ccsc2 271570a_100000754496_100000738268 [0,1,0,1,0,0|0,1,0]=3 3212 B14R2.1 COc1ccc(cc1)c2ccsc2 271570a_100011934443_100000171711 [0,1,0,1,0,0|0,1,0]=3 3213 B14R2.1 COc1ccc(cc1)c2ccsc2 34a_200011934557_200000210301 [0,1,0,1,0,0|0,1,0]=3 3214 B14R2.1 COc1ccc(cc1)c2ccsc2 7a_200011934557_200000210301 [0,1,0,1,0,0|0,1,0]=3 3215 B14R2.1 COc1ccc(cc1)c2ccsn2 271570a_100000754496_100009818082 [0,1,0,1,0,0|0,1,0]=3 3216 B14R2.1 COc1ccc(cc1)c2cn[nH]c2 271570a_100000041997_100000171711 [0,1,0,1,0,0|2,0,0]=4 3217 B14R2.1 COc1ccc(cc1)c2cn[nH]c2 271570a_100000754496_100000238712 [0,1,0,1,0,0|2,0,0]=4 3218 B14R2.1 COc1ccc(cc1)c2cnco2 271570a_100000754496_100020591547 [0,1,0,1,0,0|0,0,1]=3 3219 B14R2.1 COc1ccc(cc1)c2cnco2 34a_100000048733_200000210301 [0,1,0,1,0,0|0,0,1]=3 3220 B14R2.1 COc1ccc(cc1)c2cnco2 7a_100000048733_200000210301 [0,1,0,1,0,0|0,0,1]=3 3221 B14R2.1 COc1ccc(cc1)c2cncs2 271570a_100000754496_100011934649 [0,1,0,1,0,0|0,1,0]=3 3222 B14R2.1 COc1ccc(cc1)c2cncs2 271570a_100010231675_100000171711 [0,1,0,1,0,0|0,1,0]=3 3223 B14R2.1 COc1ccc(cc1)c2cnoc2 271570a_100000754496_100009815712 [0,1,0,1,0,0|1,0,1]=4 3224 B14R2.1 COc1ccc(cc1)c2cnsc2 271570a_100000754496_100009815736 [0,1,0,1,0,0|1,1,0]=4 3225 B14R2.1 COc1ccc(cc1)c2cscn2 271570a_100000754496_100000751502 [0,1,0,1,0,0|1,0,0]=3 3226 B14R2.1 COc1ccc(cc1)c2nc[nH]n2 271570a_100000754496_100000761765 [0,1,0,1,0,0|2,0,0]=4 3227 B14R2.1 COc1ccc(cc1)c2ncc[nH]2 271570a_100000754496_100025796157 [0,1,0,1,0,0|1,0,0]=3 3228 B14R2.1 COc1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000171711 [0,1,0,1,0,0|1,0,0]=3 3229 B14R2.1 COc1ccc(cc1)c2ncc[nH]2 34a_200000748570_200000210301 [0,1,0,1,0,0|1,0,0]=3 3230 B14R2.1 COc1ccc(cc1)c2ncco2 271570a_100000754496_100011787736 [0,1,0,1,0,0|0,0,1]=3 3231 B14R2.1 COc1ccc(cc1)c2nccs2 271570a_100000754496_100000211983 [0,1,0,1,0,0|0,1,0]=3 3232 B14R2.1 COc1ccc(cc1)c2nccs2 34a_100000744836_200000210301 [0,1,0,1,0,0|0,1,0]=3 3233 B14R2.1 COc1ccc(cc1)c2ncns2 271570a_100000754496_100000693119 [0,1,0,1,0,0|1,1,0]=4 3234 B14R2.1 COc1ccc(cc1)c2nnco2 34a_100000010586_200000210301 [0,1,0,1,0,0|1,0,1]=4 3235 B14R2.1 COc1ccc(cc1)c2nnco2 7a_100000010586_200000210301 [0,1,0,1,0,0|1,0,1]=4 3236 B14R2.1 COc1ccc(cc1)c2nncs2 271570a_100000754496_100000739804 [0,1,0,1,0,0|1,1,0]=4 3237 B14R2.1 COc1ccc(cc1)n2cccc2 34a_100000178919_200000210301 [0,1,0,1,0,0|1,0,0]=3 3238 B14R2.1 COc1ccc(cc1)n2cccc2 7a_100000178919_200000210301 [0,1,0,1,0,0|1,0,0]=3 3239 B14R2.1 COc1ccc(cc1)n2ccnc2 7a_100000184710_200000210301 [0,1,0,1,0,0|2,0,0]=4 3240 B14R2.1 COc1ccc(cc1)n2cncn2 34a_100000758086_200000210301 [0,1,0,1,0,0|2,0,0]=4 3241 B14R2.1 COc1ccc(cc1)n2cncn2 7a_100000758086_200000210301 [0,1,0,1,0,0|2,0,0]=4 3242 B14R2.1 COc1ccc(cn1)c2c[nH]cn2 271570a_100000039284_100000756875 [0,1,0,1,0,0|2,0,0]=4 3243 B14R2.1 COc1ccc(cn1)c2cc[nH]c2 271570a_100000102155_100000047065 [0,1,0,1,0,0|2,0,0]=4 3244 B14R2.1 COc1ccc(cn1)c2cc[nH]n2 271570a_100000039284_100000062575 [0,1,0,1,0,0|2,0,0]=4 3245 B14R2.1 COc1ccc(cn1)c2cc[nH]n2 271570a_100000062414_100000047065 [0,1,0,1,0,0|2,0,0]=4 3246 B14R2.1 COc1ccc(cn1)c2ccco2 271570a_100000039284_100009814098 [0,1,0,1,0,0|1,0,1]=4 3247 B14R2.1 COc1ccc(cn1)c2ccco2 271570a_100000750936_100000047065 [0,1,0,1,0,0|1,0,1]=4 3248 B14R2.1 COc1ccc(cn1)c2cccs2 271570a_100000039284_100011215356 [0,1,0,1,0,0|1,1,0]=4 3249 B14R2.1 COc1ccc(cn1)c2cccs2 271570a_100000742291_100000047065 [0,1,0,1,0,0|1,1,0]=4 3250 B14R2.1 COc1ccc(cn1)c2ccoc2 271570a_100000039284_100011215275 [0,1,0,1,0,0|1,0,1]=4 3251 B14R2.1 COc1ccc(cn1)c2ccoc2 271570a_100011218838_100000047065 [0,1,0,1,0,0|1,0,1]=4 3252 B14R2.1 COc1ccc(cn1)c2ccsc2 271570a_100000039284_100000738268 [0,1,0,1,0,0|1,1,0]=4 3253 B14R2.1 COc1ccc(cn1)c2ccsc2 271570a_100011934443_100000047065 [0,1,0,1,0,0|1,1,0]=4 3254 B14R2.1 COc1ccc(cn1)c2ccsn2 271570a_100000039284_100009818082 [0,1,0,1,0,0|1,1,0]=4 3255 B14R2.1 COc1ccc(cn1)c2cnco2 271570a_100000039284_100020591547 [0,1,0,1,0,0|1,0,1]=4 3256 B14R2.1 COc1ccc(cn1)c2cncs2 271570a_100000039284_100011934649 [0,1,0,1,0,0|1,1,0]=4 3257 B14R2.1 COc1ccc(cn1)c2cncs2 271570a_100010231675_100000047065 [0,1,0,1,0,0|1,1,0]=4 3258 B14R2.1 COc1ccc(cn1)c2cscn2 271570a_100000039284_100000751502 [0,1,0,1,0,0|2,0,0]=4 3259 B14R2.1 COc1ccc(cn1)c2ncc[nH]2 271570a_100000039284_100025796157 [0,1,0,1,0,0|2,0,0]=4 3260 B14R2.1 COc1ccc(cn1)c2ncc[nH]2 271570a_100016988920_100000047065 [0,1,0,1,0,0|2,0,0]=4 3261 B14R2.1 COc1ccc(cn1)c2ncco2 271570a_100000039284_100011787736 [0,1,0,1,0,0|1,0,1]=4 3262 B14R2.1 COc1ccc(cn1)c2nccs2 271570a_100000039284_100000211983 [0,1,0,1,0,0|1,1,0]=4 3263 B14R2.1 COc1ccc(nc1)c2cc[nH]c2 271570a_100000102155_100000755202 [0,1,0,1,0,0|2,0,0]=4 3264 B14R2.1 COc1ccc(nc1)c2cc[nH]n2 271570a_100000062414_100000755202 [0,1,0,1,0,0|2,0,0]=4 3265 B14R2.1 COc1ccc(nc1)c2ccco2 271570a_100000750936_100000755202 [0,1,0,1,0,0|1,0,1]=4 3266 B14R2.1 COc1ccc(nc1)c2cccs2 271570a_100000742291_100000755202 [0,1,0,1,0,0|1,1,0]=4 3267 B14R2.1 COc1ccc(nc1)c2ccoc2 271570a_100011218838_100000755202 [0,1,0,1,0,0|1,0,1]=4 3268 B14R2.1 COc1ccc(nc1)c2ccsc2 271570a_100011934443_100000755202 [0,1,0,1,0,0|1,1,0]=4 3269 B14R2.1 COc1ccc(nc1)c2cncs2 271570a_100010231675_100000755202 [0,1,0,1,0,0|1,1,0]=4 3270 B14R2.1 COc1ccc(nc1)c2ncc[nH]2 271570a_100016988920_100000755202 [0,1,0,1,0,0|2,0,0]=4 3271 B14R2.1 CSc1ccc(cc1)c2c[nH]cn2 271570a_100000703477_100000756875 [0,1,0,1,0,0|1,1,0]=4 3272 B14R2.1 CSc1ccc(cc1)c2c[nH]cn2 62a_100009812454_200000210301 [0,1,0,1,0,0|1,1,0]=4 3273 B14R2.1 CSc1ccc(cc1)c2c[nH]cn2 62a_200000210301_100009812454 [0,1,0,1,0,0|1,1,0]=4 3274 B14R2.1 CSc1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100011263217 [0,1,0,1,0,0|1,1,0]=4 3275 B14R2.1 CSc1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100011263217 [0,1,0,1,0,0|1,1,0]=4 3276 B14R2.1 CSc1ccc(cc1)c2cc[nH]n2 271570a_100000703477_100000062575 [0,1,0,1,0,0|1,1,0]=4 3277 B14R2.1 CSc1ccc(cc1)c2ccco2 271570a_100000703477_100009814098 [0,1,0,1,0,0|0,1,1]=4 3278 B14R2.1 CSc1ccc(cc1)c2ccco2 271570a_100000750936_100011263217 [0,1,0,1,0,0|0,1,1]=4 3279 B14R2.1 CSc1ccc(cc1)c2cccs2 271570a_100000703477_100011215356 [0,1,0,1,0,0|0,2,0]=4 3280 B14R2.1 CSc1ccc(cc1)c2cccs2 271570a_100000742291_100011263217 [0,1,0,1,0,0|0,2,0]=4 3281 B14R2.1 CSc1ccc(cc1)c2cccs2 62a_100009816718_200000210301 [0,1,0,1,0,0|0,2,0]=4 3282 B14R2.1 CSc1ccc(cc1)c2ccn[nH]2 62a_100020649029_200000210301 [0,1,0,1,0,0|1,1,0]=4 3283 B14R2.1 CSc1ccc(cc1)c2ccn[nH]2 62a_200000210301_100020649029 [0,1,0,1,0,0|1,1,0]=4 3284 B14R2.1 CSc1ccc(cc1)c2ccno2 62a_100011216027_200000210301 [0,1,0,1,0,0|0,1,1]=4 3285 B14R2.1 CSc1ccc(cc1)c2ccno2 62a_200000210301_100011216027 [0,1,0,1,0,0|0,1,1]=4 3286 B14R2.1 CSc1ccc(cc1)c2ccns2 62a_200000210301_200010185659 [0,1,0,1,0,0|0,2,0]=4 3287 B14R2.1 CSc1ccc(cc1)c2ccns2 62a_200010185659_200000210301 [0,1,0,1,0,0|0,2,0]=4 3288 B14R2.1 CSc1ccc(cc1)c2ccoc2 271570a_100000703477_100011215275 [0,1,0,1,0,0|0,1,1]=4 3289 B14R2.1 CSc1ccc(cc1)c2ccoc2 271570a_100011218838_100011263217 [0,1,0,1,0,0|0,1,1]=4 3290 B14R2.1 CSc1ccc(cc1)c2ccon2 62a_200000210301_200011934941 [0,1,0,1,0,0|0,1,1]=4 3291 B14R2.1 CSc1ccc(cc1)c2ccon2 62a_200011934941_200000210301 [0,1,0,1,0,0|0,1,1]=4 3292 B14R2.1 CSc1ccc(cc1)c2ccsc2 271570a_100000703477_100000738268 [0,1,0,1,0,0|0,2,0]=4 3293 B14R2.1 CSc1ccc(cc1)c2ccsc2 271570a_100011934443_100011263217 [0,1,0,1,0,0|0,2,0]=4 3294 B14R2.1 CSc1ccc(cc1)c2ccsn2 271570a_100000703477_100009818082 [0,1,0,1,0,0|0,2,0]=4 3295 B14R2.1 CSc1ccc(cc1)c2cnco2 271570a_100000703477_100020591547 [0,1,0,1,0,0|0,1,1]=4 3296 B14R2.1 CSc1ccc(cc1)c2cnco2 62a_100009814239_200000210301 [0,1,0,1,0,0|0,1,1]=4 3297 B14R2.1 CSc1ccc(cc1)c2cnco2 62a_200000210301_100009814239 [0,1,0,1,0,0|0,1,1]=4 3298 B14R2.1 CSc1ccc(cc1)c2cncs2 271570a_100000703477_100011934649 [0,1,0,1,0,0|0,2,0]=4 3299 B14R2.1 CSc1ccc(cc1)c2cncs2 271570a_100010231675_100011263217 [0,1,0,1,0,0|0,2,0]=4 3300 B14R2.1 CSc1ccc(cc1)c2cscn2 271570a_100000703477_100000751502 [0,1,0,1,0,0|1,1,0]=4 3301 B14R2.1 CSc1ccc(cc1)c2ncc[nH]2 271570a_100000703477_100025796157 [0,1,0,1,0,0|1,1,0]=4 3302 B14R2.1 CSc1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100011263217 [0,1,0,1,0,0|1,1,0]=4 3303 B14R2.1 CSc1ccc(cc1)c2ncc[nH]2 62a_100011393233_200000210301 [0,1,0,1,0,0|1,1,0]=4 3304 B14R2.1 CSc1ccc(cc1)c2ncc[nH]2 62a_200000210301_100011393233 [0,1,0,1,0,0|1,1,0]=4 3305 B14R2.1 CSc1ccc(cc1)c2ncco2 271570a_100000703477_100011787736 [0,1,0,1,0,0|0,1,1]=4 3306 B14R2.1 CSc1ccc(cc1)c2ncco2 62a_200000210301_200010153272 [0,1,0,1,0,0|0,1,1]=4 3307 B14R2.1 CSc1ccc(cc1)c2ncco2 62a_200010153272_200000210301 [0,1,0,1,0,0|0,1,1]=4 3308 B14R2.1 CSc1ccc(cc1)c2nccs2 271570a_100000703477_100000211983 [0,1,0,1,0,0|0,2,0]=4 3309 B14R2.1 CSc1ccc(cc1)c2nccs2 62a_100000756710_200000210301 [0,1,0,1,0,0|0,2,0]=4 3310 B14R2.1 CSc1ccc(cc1)c2nccs2 62a_200000210301_100000756710 [0,1,0,1,0,0|0,2,0]=4 3311 B14R2.1 CSc1ccc(cc1)n2cccc2 62a_100000179376_200000210301 [0,1,0,1,0,0|1,1,0]=4 3312 B14R2.1 CSc1ccc(cc1)n2cccc2 62a_200000210301_100000179376 [0,1,0,1,0,0|1,1,0]=4 3313 B14R2.1 CSc1ccc(cc1)n2cccn2 62a_100000751073_200000210301 [0,1,0,1,0,0|1,1,0]=4 3314 B14R2.1 CSc1ccc(cc1)n2cccn2 62a_200000210301_100000751073 [0,1,0,1,0,0|1,1,0]=4 3315 B14R2.1 [13CH3]Nc1ccc(cc1)c2ccco2 2230a_100011217094_200025704644 [0,1,0,1,0,0|1,0,1]=4 3316 B14R2.1 [13CH3]Nc1ccc(cc1)c2ccco2 34a_100011217094_200025704644 [0,1,0,1,0,0|1,0,1]=4 3317 B14R2.1 [13CH3]Nc1ccc(cc1)c2cccs2 34a_200020605263_200025704644 [0,1,0,1,0,0|1,1,0]=4 3318 B14R2.1 [13CH3]Nc1ccc(cc1)c2ccno2 34a_100011233752_200025704644 [0,1,0,1,0,0|1,0,1]=4 3319 B14R2.1 [13CH3]Nc1ccc(cc1)c2ccsc2 2230a_100000734147_200025704644 [0,1,0,1,0,0|1,1,0]=4 3320 B14R2.1 [13CH3]Nc1ccc(cc1)c2ccsc2 34a_100000734147_200025704644 [0,1,0,1,0,0|1,1,0]=4 3321 B14R2.1 [13CH3]Nc1ccc(cc1)c2cnco2 34a_100000041625_200025704644 [0,1,0,1,0,0|1,0,1]=4 3322 B14R2.1 [13CH3]Nc1ccc(cc1)c2cncs2 2230a_100000123287_200025704644 [0,1,0,1,0,0|1,1,0]=4 3323 B14R2.1 [13CH3]Nc1ccc(cc1)c2cncs2 34a_100000123287_200025704644 [0,1,0,1,0,0|1,1,0]=4 3324 B14R2.1 [13CH3]Nc1ccc(cc1)c2ncco2 34a_100000695477_200025704644 [0,1,0,1,0,0|1,0,1]=4 3325 B14R2.1 [13CH3]Nc1ccc(cc1)c2nccs2 34a_100000741104_200025704644 [0,1,0,1,0,0|1,1,0]=4 3326 B14R2.1 [13CH3]Nc1ccc(cc1)n2cccc2 34a_100000215677_200025704644 [0,1,0,1,0,0|2,0,0]=4 3327 B14R2.1 [13CH3]Nc1ccc(cc1)n2cccn2 34a_100000689363_200025704644 [0,1,0,1,0,0|2,0,0]=4 3328 B14R2.1 [13CH3]Oc1ccc(cc1)c2cccs2 34a_200011934525_200025704644 [0,1,0,1,0,0|0,1,0]=3 3329 B14R2.1 [13CH3]Oc1ccc(cc1)c2cccs2 7a_200011934525_200025704644 [0,1,0,1,0,0|0,1,0]=3 3330 B14R2.1 [13CH3]Oc1ccc(cc1)c2ccsc2 34a_200011934557_200025704644 [0,1,0,1,0,0|0,1,0]=3 3331 B14R2.1 [13CH3]Oc1ccc(cc1)c2ccsc2 7a_200011934557_200025704644 [0,1,0,1,0,0|0,1,0]=3 3332 B14R2.1 [13CH3]Oc1ccc(cc1)c2cnco2 34a_100000048733_200025704644 [0,1,0,1,0,0|0,0,1]=3 3333 B14R2.1 [13CH3]Oc1ccc(cc1)c2cnco2 7a_100000048733_200025704644 [0,1,0,1,0,0|0,0,1]=3 3334 B14R2.1 [13CH3]Oc1ccc(cc1)c2ncc[nH]2 34a_200000748570_200025704644 [0,1,0,1,0,0|1,0,0]=3 3335 B14R2.1 [13CH3]Oc1ccc(cc1)c2nccs2 34a_100000744836_200025704644 [0,1,0,1,0,0|0,1,0]=3 3336 B14R2.1 [13CH3]Oc1ccc(cc1)c2nnco2 34a_100000010586_200025704644 [0,1,0,1,0,0|1,0,1]=4 3337 B14R2.1 [13CH3]Oc1ccc(cc1)c2nnco2 7a_100000010586_200025704644 [0,1,0,1,0,0|1,0,1]=4 3338 B14R2.1 [13CH3]Oc1ccc(cc1)n2cccc2 34a_100000178919_200025704644 [0,1,0,1,0,0|1,0,0]=3 3339 B14R2.1 [13CH3]Oc1ccc(cc1)n2cccc2 7a_100000178919_200025704644 [0,1,0,1,0,0|1,0,0]=3 3340 B14R2.1 [13CH3]Oc1ccc(cc1)n2ccnc2 7a_100000184710_200025704644 [0,1,0,1,0,0|2,0,0]=4 3341 B14R2.1 [13CH3]Oc1ccc(cc1)n2cncn2 34a_100000758086_200025704644 [0,1,0,1,0,0|2,0,0]=4 3342 B14R2.1 [13CH3]Oc1ccc(cc1)n2cncn2 7a_100000758086_200025704644 [0,1,0,1,0,0|2,0,0]=4 3343 B14R2.1 [13CH3]Sc1ccc(cc1)c2c[nH]cn2 62a_100009812454_200025704644 [0,1,0,1,0,0|1,1,0]=4 3344 B14R2.1 [13CH3]Sc1ccc(cc1)c2c[nH]cn2 62a_200025704644_100009812454 [0,1,0,1,0,0|1,1,0]=4 3345 B14R2.1 [13CH3]Sc1ccc(cc1)c2cccs2 62a_100009816718_200025704644 [0,1,0,1,0,0|0,2,0]=4 3346 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccn[nH]2 62a_100020649029_200025704644 [0,1,0,1,0,0|1,1,0]=4 3347 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccn[nH]2 62a_200025704644_100020649029 [0,1,0,1,0,0|1,1,0]=4 3348 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccno2 62a_100011216027_200025704644 [0,1,0,1,0,0|0,1,1]=4 3349 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccno2 62a_200025704644_100011216027 [0,1,0,1,0,0|0,1,1]=4 3350 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccns2 62a_200010185659_200025704644 [0,1,0,1,0,0|0,2,0]=4 3351 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccns2 62a_200025704644_200010185659 [0,1,0,1,0,0|0,2,0]=4 3352 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccon2 62a_200011934941_200025704644 [0,1,0,1,0,0|0,1,1]=4 3353 B14R2.1 [13CH3]Sc1ccc(cc1)c2ccon2 62a_200025704644_200011934941 [0,1,0,1,0,0|0,1,1]=4 3354 B14R2.1 [13CH3]Sc1ccc(cc1)c2cnco2 62a_100009814239_200025704644 [0,1,0,1,0,0|0,1,1]=4 3355 B14R2.1 [13CH3]Sc1ccc(cc1)c2cnco2 62a_200025704644_100009814239 [0,1,0,1,0,0|0,1,1]=4 3356 B14R2.1 [13CH3]Sc1ccc(cc1)c2ncc[nH]2 62a_100011393233_200025704644 [0,1,0,1,0,0|1,1,0]=4 3357 B14R2.1 [13CH3]Sc1ccc(cc1)c2ncc[nH]2 62a_200025704644_100011393233 [0,1,0,1,0,0|1,1,0]=4 3358 B14R2.1 [13CH3]Sc1ccc(cc1)c2ncco2 62a_200010153272_200025704644 [0,1,0,1,0,0|0,1,1]=4 3359 B14R2.1 [13CH3]Sc1ccc(cc1)c2ncco2 62a_200025704644_200010153272 [0,1,0,1,0,0|0,1,1]=4 3360 B14R2.1 [13CH3]Sc1ccc(cc1)c2nccs2 62a_100000756710_200025704644 [0,1,0,1,0,0|0,2,0]=4 3361 B14R2.1 [13CH3]Sc1ccc(cc1)c2nccs2 62a_200025704644_100000756710 [0,1,0,1,0,0|0,2,0]=4 3362 B14R2.1 [13CH3]Sc1ccc(cc1)n2cccc2 62a_100000179376_200025704644 [0,1,0,1,0,0|1,1,0]=4 3363 B14R2.1 [13CH3]Sc1ccc(cc1)n2cccc2 62a_200025704644_100000179376 [0,1,0,1,0,0|1,1,0]=4 3364 B14R2.1 [13CH3]Sc1ccc(cc1)n2cccn2 62a_100000751073_200025704644 [0,1,0,1,0,0|1,1,0]=4 3365 B14R2.1 [13CH3]Sc1ccc(cc1)n2cccn2 62a_200025704644_100000751073 [0,1,0,1,0,0|1,1,0]=4 3366 B14R2.142 C=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100011290941_100000746092 [0,1,0,1,0,0|1,0,1]=4 3367 B14R2.142 C=Cc1ccc2occc(=O)c2c1 271570a_100011290941_100009813387 [0,1,0,1,0,0|1,0,1]=4 3368 B14R2.142 CNc1ccc2cccc(c2c1)O 34a_100132313934_200000210301 [0,1,0,1,0,0|1,0,1]=4 3369 B14R2.142 CNc1ccc2nccc(c2c1)Br 34a_100010074812_200000210301 [0,1,0,1,0,0|2,0,0]=4 3370 B14R2.142 CNc1ccc2nccc(c2c1)Cl 34a_100009879071_200000210301 [0,1,0,1,0,0|2,0,0]=4 3371 B14R2.142 CNc1ccc2occc(=O)c2c1 34a_100000088200_200000210301 [0,1,0,1,0,0|1,0,0]=3 3372 B14R2.142 COc1cc2c(cccc2cn1)O 271570a_203496583355_100010126886 [0,1,0,1,0,0|1,0,1]=4 3373 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 34a_100000723779_200000210301 [0,1,0,1,0,0|0,0,2]=4 3374 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 7a_100000723779_200000210301 [0,1,0,1,0,0|0,0,2]=4 3375 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200000210301 [0,1,0,1,0,0|0,0,2]=4 3376 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200000210301 [0,1,0,1,0,0|0,0,2]=4 3377 B14R2.142 COc1ccc2c(c1)C(=O)NCC2 34a_100000081307_200000210301 [0,1,0,1,0,0|0,0,2]=4 3378 B14R2.142 COc1ccc2c(c1)C(=O)NCC2 7a_100000081307_200000210301 [0,1,0,1,0,0|0,0,2]=4 3379 B14R2.142 COc1ccc2cccc(c2c1)Br 34a_100010169565_200000210301 [0,1,0,1,0,0|1,0,0]=3 3380 B14R2.142 COc1ccc2cccc(c2c1)Br 7a_100010169565_200000210301 [0,1,0,1,0,0|1,0,0]=3 3381 B14R2.142 COc1ccc2cccc(c2c1)C 34a_200000091600_200000210301 [0,1,0,1,0,0|1,0,0]=3 3382 B14R2.142 COc1ccc2cccc(c2c1)C 7a_200000091600_200000210301 [0,1,0,1,0,0|1,0,0]=3 3383 B14R2.142 COc1ccc2cccc(c2c1)F 34a_100000091619_200000210301 [0,1,0,1,0,0|1,0,0]=3 3384 B14R2.142 COc1ccc2cccc(c2c1)F 7a_100000091619_200000210301 [0,1,0,1,0,0|1,0,0]=3 3385 B14R2.142 COc1ccc2cccc(c2c1)N 34a_100000034012_200000210301 [0,1,0,1,0,0|1,0,0]=3 3386 B14R2.142 COc1ccc2cccc(c2c1)N 7a_100000034012_200000210301 [0,1,0,1,0,0|1,0,0]=3 3387 B14R2.142 COc1ccc2cccc(c2c1)O 271570a_203496583355_100010178974 [0,1,0,1,0,0|0,0,1]=3 3388 B14R2.142 COc1ccc2ccnc(c2c1)Cl 34a_200009844553_200000210301 [0,1,0,1,0,0|1,0,0]=3 3389 B14R2.142 COc1ccc2ccnc(c2c1)Cl 7a_200009844553_200000210301 [0,1,0,1,0,0|1,0,0]=3 3390 B14R2.142 COc1ccc2ccnc(c2c1)O 271570a_203496583355_100012348807 [0,1,0,1,0,0|0,0,1]=3 3391 B14R2.142 COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_200000210301 [0,1,0,1,0,0|1,0,0]=3 3392 B14R2.142 COc1ccc2nccc(c2c1)Br 34a_100010204251_200000210301 [0,1,0,1,0,0|1,0,0]=3 3393 B14R2.142 COc1ccc2nccc(c2c1)Br 7a_100010204251_200000210301 [0,1,0,1,0,0|1,0,0]=3 3394 B14R2.142 COc1ccc2nccc(c2c1)Cl 34a_100000075933_200000210301 [0,1,0,1,0,0|1,0,0]=3 3395 B14R2.142 COc1ccc2nccc(c2c1)Cl 7a_100000075933_200000210301 [0,1,0,1,0,0|1,0,0]=3 3396 B14R2.142 COc1ccc2nccc(c2c1)O 271570a_203496583355_100011310462 [0,1,0,1,0,0|0,0,1]=3 3397 B14R2.142 COc1ccc2nccc(c2n1)O 271570a_203496583355_100000090520 [0,1,0,1,0,0|1,0,1]=4 3398 B14R2.142 COc1ccc2ncnc(c2c1)O 271570a_203496583355_100011804145 [0,1,0,1,0,0|1,0,1]=4 3399 B14R2.142 CSc1ccc2[nH]ccc(=O)c2c1 62a_200000210301_100000746092 [0,1,0,1,0,0|0,1,0]=3 3400 B14R2.142 CSc1ccc2cccc(c2c1)C 62a_200000210301_100010089936 [0,1,0,1,0,0|1,1,0]=4 3401 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_100010090012_200000210301 [0,1,0,1,0,0|1,1,0]=4 3402 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_200000210301_100010090012 [0,1,0,1,0,0|1,1,0]=4 3403 B14R2.142 CSc1ccc2cccc(c2c1)O 62a_200000210301_100010089991 [0,1,0,1,0,0|0,1,1]=4 3404 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200000210301_200010739692 [0,1,0,1,0,0|1,1,0]=4 3405 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200010739692_200000210301 [0,1,0,1,0,0|1,1,0]=4 3406 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_100012352255_200000210301 [0,1,0,1,0,0|1,1,0]=4 3407 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_200000210301_100012352255 [0,1,0,1,0,0|1,1,0]=4 3408 B14R2.142 CSc1ccc2ccnc(c2c1)O 62a_200000210301_100000010956 [0,1,0,1,0,0|0,1,1]=4 3409 B14R2.142 CSc1ccc2cn[nH]c(=O)c2c1 62a_200000210301_100015864262 [0,1,0,1,0,0|1,1,0]=4 3410 B14R2.142 CSc1ccc2cncc(c2c1)O 62a_200000210301_100010136424 [0,1,0,1,0,0|0,1,1]=4 3411 B14R2.142 CSc1ccc2nc[nH]c(=O)c2c1 62a_200000210301_100000755678 [0,1,0,1,0,0|1,1,0]=4 3412 B14R2.142 CSc1ccc2nccc(=O)n2c1 62a_100010178973_200000210301 [0,1,0,1,0,0|1,1,0]=4 3413 B14R2.142 CSc1ccc2nccc(=O)n2c1 62a_200000210301_100010178973 [0,1,0,1,0,0|1,1,0]=4 3414 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_100009817033_200000210301 [0,1,0,1,0,0|1,1,0]=4 3415 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_200000210301_100009817033 [0,1,0,1,0,0|1,1,0]=4 3416 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_100011310491_200000210301 [0,1,0,1,0,0|1,1,0]=4 3417 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_200000210301_100011310491 [0,1,0,1,0,0|1,1,0]=4 3418 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_100011620571_200000210301 [0,1,0,1,0,0|1,1,0]=4 3419 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_200000210301_100011620571 [0,1,0,1,0,0|1,1,0]=4 3420 B14R2.142 CSc1ccc2occc(=O)c2c1 62a_200000210301_100009813387 [0,1,0,1,0,0|0,1,0]=3 3421 B14R2.142 CSc1cnc2cc[nH]c(=O)c2c1 62a_200000210301_100010134370 [0,1,0,1,0,0|1,1,0]=4 3422 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 34a_200000091600_200025704644 [0,1,0,1,0,0|1,0,0]=3 3423 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 7a_200000091600_200025704644 [0,1,0,1,0,0|1,0,0]=3 3424 B14R2.142 Cc1cccc2c1cc(cc2)S[13CH3] 62a_200025704644_100010089936 [0,1,0,1,0,0|1,1,0]=4 3425 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_100009817033_200025704644 [0,1,0,1,0,0|1,1,0]=4 3426 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_200025704644_100009817033 [0,1,0,1,0,0|1,1,0]=4 3427 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200010739692_200025704644 [0,1,0,1,0,0|1,1,0]=4 3428 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200025704644_200010739692 [0,1,0,1,0,0|1,1,0]=4 3429 B14R2.142 [13CH3]Nc1ccc2cccc(c2c1)O 34a_100132313934_200025704644 [0,1,0,1,0,0|1,0,1]=4 3430 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Br 34a_100010074812_200025704644 [0,1,0,1,0,0|2,0,0]=4 3431 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Cl 34a_100009879071_200025704644 [0,1,0,1,0,0|2,0,0]=4 3432 B14R2.142 [13CH3]Nc1ccc2occc(=O)c2c1 34a_100000088200_200025704644 [0,1,0,1,0,0|1,0,0]=3 3433 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCC2 34a_100000723779_200025704644 [0,1,0,1,0,0|0,0,2]=4 3434 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCC2 7a_100000723779_200025704644 [0,1,0,1,0,0|0,0,2]=4 3435 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200025704644 [0,1,0,1,0,0|0,0,2]=4 3436 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200025704644 [0,1,0,1,0,0|0,0,2]=4 3437 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)NCC2 34a_100000081307_200025704644 [0,1,0,1,0,0|0,0,2]=4 3438 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)NCC2 7a_100000081307_200025704644 [0,1,0,1,0,0|0,0,2]=4 3439 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 34a_100010169565_200025704644 [0,1,0,1,0,0|1,0,0]=3 3440 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 7a_100010169565_200025704644 [0,1,0,1,0,0|1,0,0]=3 3441 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 34a_100000091619_200025704644 [0,1,0,1,0,0|1,0,0]=3 3442 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 7a_100000091619_200025704644 [0,1,0,1,0,0|1,0,0]=3 3443 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 34a_100000034012_200025704644 [0,1,0,1,0,0|1,0,0]=3 3444 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 7a_100000034012_200025704644 [0,1,0,1,0,0|1,0,0]=3 3445 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_200025704644 [0,1,0,1,0,0|1,0,0]=3 3446 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_200025704644 [0,1,0,1,0,0|1,0,0]=3 3447 B14R2.142 [13CH3]Oc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_200025704644 [0,1,0,1,0,0|1,0,0]=3 3448 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 34a_100010204251_200025704644 [0,1,0,1,0,0|1,0,0]=3 3449 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 7a_100010204251_200025704644 [0,1,0,1,0,0|1,0,0]=3 3450 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 34a_100000075933_200025704644 [0,1,0,1,0,0|1,0,0]=3 3451 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 7a_100000075933_200025704644 [0,1,0,1,0,0|1,0,0]=3 3452 B14R2.142 [13CH3]Sc1ccc2[nH]ccc(=O)c2c1 62a_200025704644_100000746092 [0,1,0,1,0,0|0,1,0]=3 3453 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_100010090012_200025704644 [0,1,0,1,0,0|1,1,0]=4 3454 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_200025704644_100010090012 [0,1,0,1,0,0|1,1,0]=4 3455 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)O 62a_200025704644_100010089991 [0,1,0,1,0,0|0,1,1]=4 3456 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_100012352255_200025704644 [0,1,0,1,0,0|1,1,0]=4 3457 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_200025704644_100012352255 [0,1,0,1,0,0|1,1,0]=4 3458 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)O 62a_200025704644_100000010956 [0,1,0,1,0,0|0,1,1]=4 3459 B14R2.142 [13CH3]Sc1ccc2cn[nH]c(=O)c2c1 62a_200025704644_100015864262 [0,1,0,1,0,0|1,1,0]=4 3460 B14R2.142 [13CH3]Sc1ccc2cncc(c2c1)O 62a_200025704644_100010136424 [0,1,0,1,0,0|0,1,1]=4 3461 B14R2.142 [13CH3]Sc1ccc2nc[nH]c(=O)c2c1 62a_200025704644_100000755678 [0,1,0,1,0,0|1,1,0]=4 3462 B14R2.142 [13CH3]Sc1ccc2nccc(=O)n2c1 62a_100010178973_200025704644 [0,1,0,1,0,0|1,1,0]=4 3463 B14R2.142 [13CH3]Sc1ccc2nccc(=O)n2c1 62a_200025704644_100010178973 [0,1,0,1,0,0|1,1,0]=4 3464 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_100011310491_200025704644 [0,1,0,1,0,0|1,1,0]=4 3465 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_200025704644_100011310491 [0,1,0,1,0,0|1,1,0]=4 3466 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_100011620571_200025704644 [0,1,0,1,0,0|1,1,0]=4 3467 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_200025704644_100011620571 [0,1,0,1,0,0|1,1,0]=4 3468 B14R2.142 [13CH3]Sc1ccc2occc(=O)c2c1 62a_200025704644_100009813387 [0,1,0,1,0,0|0,1,0]=3 3469 B14R2.142 [13CH3]Sc1cnc2cc[nH]c(=O)c2c1 62a_200025704644_100010134370 [0,1,0,1,0,0|1,1,0]=4 3470 B14R2.2497 C=Cc1c[nH]c2c1cc(cn2)OC 271570a_100011290941_100010199036 [0,1,0,1,0,0|2,0,0]=4 3471 B14R2.2497 C=Cc1c[nH]c2c1cc(nc2)OC 271570a_100011290941_200010163580 [0,1,0,1,0,0|2,0,0]=4 3472 B14R2.2497 C=Cc1c[nH]c2c1nc(cc2)OC 271570a_100011290941_100010199035 [0,1,0,1,0,0|2,0,0]=4 3473 B14R2.2497 C=Cc1ccc2[nH]cc(c2c1)C=O 271570a_100011290941_100000187850 [0,1,0,1,0,0|1,0,1]=4 3474 B14R2.2497 C=Cc1ccc2scc(c2c1)C=O 271570a_100011290941_100009814807 [0,1,0,1,0,0|1,0,1]=4 3475 B14R2.2497 C=Cc1n[nH]c2c1cc(cc2)OC 271570a_100011290941_100012353730 [0,1,0,1,0,0|2,0,0]=4 3476 B14R2.2497 COc1ccc2[nH]cc(c2c1)C#N 7a_100000059741_200000210301 [0,1,0,1,0,0|1,0,1]=4 3477 B14R2.2497 CSc1ccc2[nH]cc(c2c1)C=O 62a_200000210301_100010871809 [0,1,0,1,0,0|0,1,0]=3 3478 B14R2.2497 CSc1ccc2ncc(n2c1)C=O 62a_100000757799_200000210301 [0,1,0,1,0,0|1,1,0]=4 3479 B14R2.2497 CSc1ccc2ncc(n2c1)C=O 62a_200000210301_100000757799 [0,1,0,1,0,0|1,1,0]=4 3480 B14R2.2497 CSc1cnc2[nH]cc(c2c1)C=O 62a_200000210301_100012356305 [0,1,0,1,0,0|1,1,0]=4 3481 B14R2.2497 [13CH3]Oc1ccc2[nH]cc(c2c1)C#N 7a_100000059741_200025704644 [0,1,0,1,0,0|1,0,1]=4 3482 B14R2.2497 [13CH3]Sc1ccc2[nH]cc(c2c1)C=O 62a_200025704644_100010871809 [0,1,0,1,0,0|0,1,0]=3 3483 B14R2.2497 [13CH3]Sc1ccc2ncc(n2c1)C=O 62a_100000757799_200025704644 [0,1,0,1,0,0|1,1,0]=4 3484 B14R2.2497 [13CH3]Sc1ccc2ncc(n2c1)C=O 62a_200025704644_100000757799 [0,1,0,1,0,0|1,1,0]=4 3485 B14R2.2497 [13CH3]Sc1cnc2[nH]cc(c2c1)C=O 62a_200025704644_100012356305 [0,1,0,1,0,0|1,1,0]=4 3486 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [0,1,0,1,0,0|2,0,0]=4 3487 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [0,1,0,1,0,0|2,0,0]=4 3488 B14R2.1801 CNc1ccc2c(ccnc2c1)Cl 27a_100102657272_100009996786 [0,1,0,1,0,0|2,0,0]=4 3489 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [0,1,0,1,0,0|2,0,0]=4 3490 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [0,1,0,1,0,0|2,0,0]=4 3491 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [0,1,0,1,0,0|0,0,1]=3 3492 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [0,1,0,1,0,0|0,0,1]=3 3493 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [0,1,0,1,0,0|1,0,0]=3 3494 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [0,1,0,1,0,0|1,0,0]=3 3495 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [0,1,0,1,0,0|1,0,0]=3 3496 B14R2.1801 COc1ccc2c(ccnc2c1)Br 34a_100010204257_200000210301 [0,1,0,1,0,0|1,0,0]=3 3497 B14R2.1801 COc1ccc2c(ccnc2c1)Br 7a_100010204257_200000210301 [0,1,0,1,0,0|1,0,0]=3 3498 B14R2.1801 COc1ccc2c(ccnc2c1)C 34a_200009854145_200000210301 [0,1,0,1,0,0|1,0,0]=3 3499 B14R2.1801 COc1ccc2c(ccnc2c1)C 7a_200009854145_200000210301 [0,1,0,1,0,0|1,0,0]=3 3500 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 34a_100000045489_200000210301 [0,1,0,1,0,0|1,0,0]=3 3501 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 7a_100000045489_200000210301 [0,1,0,1,0,0|1,0,0]=3 3502 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [0,1,0,1,0,0|1,0,0]=3 3503 B14R2.1801 COc1ccc2c(nccc2c1)Cl 34a_100009867704_200000210301 [0,1,0,1,0,0|2,0,0]=4 3504 B14R2.1801 COc1ccc2c(nccc2c1)Cl 7a_100009867704_200000210301 [0,1,0,1,0,0|2,0,0]=4 3505 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [0,1,0,1,0,0|2,0,0]=4 3506 B14R2.1801 COc1ccc2c(ncnc2c1)O 271570a_203496583355_100011248138 [0,1,0,1,0,0|2,0,0]=4 3507 B14R2.1801 COc1cnc2c(cccc2c1)F 34a_100012184956_200000210301 [0,1,0,1,0,0|2,0,0]=4 3508 B14R2.1801 COc1cnc2c(cccc2c1)F 7a_100012184956_200000210301 [0,1,0,1,0,0|2,0,0]=4 3509 B14R2.1801 COc1cnc2c(ccnc2c1)O 271570a_203496583355_100009875103 [0,1,0,1,0,0|2,0,0]=4 3510 B14R2.1801 CSc1ccc2c(=O)ccoc2c1 62a_200000210301_100010062221 [0,1,0,1,0,0|0,1,1]=4 3511 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [0,1,0,1,0,0|1,1,0]=4 3512 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [0,1,0,1,0,0|1,1,0]=4 3513 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [0,1,0,1,0,0|1,1,0]=4 3514 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_100010132309_200000210301 [0,1,0,1,0,0|1,1,0]=4 3515 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_200000210301_100010132309 [0,1,0,1,0,0|1,1,0]=4 3516 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_200000210301 [0,1,0,1,0,0|1,1,0]=4 3517 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_200000210301_100009996786 [0,1,0,1,0,0|1,1,0]=4 3518 B14R2.1801 CSc1ccc2c(ccnc2c1)N 62a_200009816820_200000210301 [0,1,0,1,0,0|1,1,0]=4 3519 B14R2.1801 CSc1ccc2c(ccnc2c1)O 62a_200000210301_100000756855 [0,1,0,1,0,0|1,1,0]=4 3520 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 34a_200009854145_200025704644 [0,1,0,1,0,0|1,0,0]=3 3521 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 7a_200009854145_200025704644 [0,1,0,1,0,0|1,0,0]=3 3522 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_100010132309_200025704644 [0,1,0,1,0,0|1,1,0]=4 3523 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_200025704644_100010132309 [0,1,0,1,0,0|1,1,0]=4 3524 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [0,1,0,1,0,0|2,0,0]=4 3525 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [0,1,0,1,0,0|2,0,0]=4 3526 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [0,1,0,1,0,0|2,0,0]=4 3527 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [0,1,0,1,0,0|2,0,0]=4 3528 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [0,1,0,1,0,0|0,0,1]=3 3529 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [0,1,0,1,0,0|0,0,1]=3 3530 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [0,1,0,1,0,0|1,0,0]=3 3531 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [0,1,0,1,0,0|1,0,0]=3 3532 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 34a_100010204257_200025704644 [0,1,0,1,0,0|1,0,0]=3 3533 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 7a_100010204257_200025704644 [0,1,0,1,0,0|1,0,0]=3 3534 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_200025704644 [0,1,0,1,0,0|1,0,0]=3 3535 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_200025704644 [0,1,0,1,0,0|1,0,0]=3 3536 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 34a_100009867704_200025704644 [0,1,0,1,0,0|2,0,0]=4 3537 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 7a_100009867704_200025704644 [0,1,0,1,0,0|2,0,0]=4 3538 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 34a_100012184956_200025704644 [0,1,0,1,0,0|2,0,0]=4 3539 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 7a_100012184956_200025704644 [0,1,0,1,0,0|2,0,0]=4 3540 B14R2.1801 [13CH3]Sc1ccc2c(=O)ccoc2c1 62a_200025704644_100010062221 [0,1,0,1,0,0|0,1,1]=4 3541 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [0,1,0,1,0,0|1,1,0]=4 3542 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [0,1,0,1,0,0|1,1,0]=4 3543 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [0,1,0,1,0,0|1,1,0]=4 3544 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_200025704644 [0,1,0,1,0,0|1,1,0]=4 3545 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_200025704644_100009996786 [0,1,0,1,0,0|1,1,0]=4 3546 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)N 62a_200009816820_200025704644 [0,1,0,1,0,0|1,1,0]=4 3547 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)O 62a_200025704644_100000756855 [0,1,0,1,0,0|1,1,0]=4 3548 B14R2.1812 COc1ccc2c(c1)C(=O)NC2=O 7a_100000101950_200000210301 [0,1,0,1,0,0|1,0,0]=3 3549 B14R2.1812 COc1ccc2c(c1)C(=O)OC2=O 7a_100000030292_200000210301 [0,1,0,1,0,0|1,0,0]=3 3550 B14R2.1812 CSc1ccc2c(c1)C(=O)CC2=O 62a_100009997049_200000210301 [0,1,0,1,0,0|0,1,1]=4 3551 B14R2.1812 CSc1ccc2c(c1)C(=O)NC2=O 62a_100000185758_200000210301 [0,1,0,1,0,0|1,1,0]=4 3552 B14R2.1812 [13CH3]Oc1ccc2c(c1)C(=O)NC2=O 7a_100000101950_200025704644 [0,1,0,1,0,0|1,0,0]=3 3553 B14R2.1812 [13CH3]Oc1ccc2c(c1)C(=O)OC2=O 7a_100000030292_200025704644 [0,1,0,1,0,0|1,0,0]=3 3554 B14R2.1812 [13CH3]Sc1ccc2c(c1)C(=O)CC2=O 62a_100009997049_200025704644 [0,1,0,1,0,0|0,1,1]=4 3555 B14R2.1812 [13CH3]Sc1ccc2c(c1)C(=O)NC2=O 62a_100000185758_200025704644 [0,1,0,1,0,0|1,1,0]=4 3556 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [0,1,0,1,0,0|2,0,0]=4 3557 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [0,1,0,1,0,0|2,0,0]=4 3558 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,1,0,1,0,0|2,0,0]=4 3559 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [0,1,0,1,0,0|1,0,0]=3 3560 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [0,1,0,1,0,0|1,0,0]=3 3561 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,1,0,1,0,0|1,0,0]=3 3562 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,1,0,1,0,0|1,0,0]=3 3563 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [0,1,0,1,0,0|1,0,0]=3 3564 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [0,1,0,1,0,0|1,0,0]=3 3565 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [0,1,0,1,0,0|1,0,0]=3 3566 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [0,1,0,1,0,0|1,0,0]=3 3567 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [0,1,0,1,0,0|1,0,0]=3 3568 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [0,1,0,1,0,0|1,0,0]=3 3569 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,1,0,1,0,0|1,0,0]=3 3570 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [0,1,0,1,0,0|1,0,0]=3 3571 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [0,1,0,1,0,0|1,0,0]=3 3572 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [0,1,0,1,0,0|1,0,0]=3 3573 B14R2.92 COc1ccc2ccncc2c1Br 34a_200010115057_200000210301 [0,1,0,1,0,0|2,0,0]=4 3574 B14R2.92 COc1ccc2ccncc2c1Br 7a_200010115057_200000210301 [0,1,0,1,0,0|2,0,0]=4 3575 B14R2.92 COc1ccc2cnccc2c1Cl 34a_100009824633_200000210301 [0,1,0,1,0,0|2,0,0]=4 3576 B14R2.92 COc1ccc2cnccc2c1Cl 7a_100009824633_200000210301 [0,1,0,1,0,0|2,0,0]=4 3577 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [0,1,0,1,0,0|1,1,0]=4 3578 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [0,1,0,1,0,0|1,1,0]=4 3579 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [0,1,0,1,0,0|1,1,0]=4 3580 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [0,1,0,1,0,0|1,1,0]=4 3581 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [0,1,0,1,0,0|1,1,0]=4 3582 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [0,1,0,1,0,0|1,1,0]=4 3583 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [0,1,0,1,0,0|1,1,0]=4 3584 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,1,0,1,0,0|1,1,0]=4 3585 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [0,1,0,1,0,0|1,1,0]=4 3586 B14R2.92 CSc1ccc2cccnc2c1F 62a_100010751467_200000210301 [0,1,0,1,0,0|1,1,0]=4 3587 B14R2.92 CSc1ccc2cccnc2c1F 62a_200000210301_100010751467 [0,1,0,1,0,0|1,1,0]=4 3588 B14R2.92 CSc1ccc2cccnc2c1O 62a_200000210301_100009816563 [0,1,0,1,0,0|1,1,0]=4 3589 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,1,0,1,0,0|1,0,0]=3 3590 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,1,0,1,0,0|1,0,0]=3 3591 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [0,1,0,1,0,0|1,1,0]=4 3592 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [0,1,0,1,0,0|1,1,0]=4 3593 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [0,1,0,1,0,0|1,1,0]=4 3594 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [0,1,0,1,0,0|2,0,0]=4 3595 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [0,1,0,1,0,0|2,0,0]=4 3596 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,1,0,1,0,0|2,0,0]=4 3597 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [0,1,0,1,0,0|1,0,0]=3 3598 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [0,1,0,1,0,0|1,0,0]=3 3599 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [0,1,0,1,0,0|1,0,0]=3 3600 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [0,1,0,1,0,0|1,0,0]=3 3601 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [0,1,0,1,0,0|1,0,0]=3 3602 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [0,1,0,1,0,0|1,0,0]=3 3603 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [0,1,0,1,0,0|1,0,0]=3 3604 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [0,1,0,1,0,0|1,0,0]=3 3605 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [0,1,0,1,0,0|1,0,0]=3 3606 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [0,1,0,1,0,0|1,0,0]=3 3607 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 34a_200010115057_200025704644 [0,1,0,1,0,0|2,0,0]=4 3608 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 7a_200010115057_200025704644 [0,1,0,1,0,0|2,0,0]=4 3609 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 34a_100009824633_200025704644 [0,1,0,1,0,0|2,0,0]=4 3610 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 7a_100009824633_200025704644 [0,1,0,1,0,0|2,0,0]=4 3611 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [0,1,0,1,0,0|1,1,0]=4 3612 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [0,1,0,1,0,0|1,1,0]=4 3613 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [0,1,0,1,0,0|1,1,0]=4 3614 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [0,1,0,1,0,0|1,1,0]=4 3615 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [0,1,0,1,0,0|1,1,0]=4 3616 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,1,0,1,0,0|1,1,0]=4 3617 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_100010751467_200025704644 [0,1,0,1,0,0|1,1,0]=4 3618 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_200025704644_100010751467 [0,1,0,1,0,0|1,1,0]=4 3619 B14R2.92 [13CH3]Sc1ccc2cccnc2c1O 62a_200025704644_100009816563 [0,1,0,1,0,0|1,1,0]=4 3620 B14R2.1128 CNc1cc2ccccc2cc1Br 34a_100009991566_200000210301 [0,1,0,1,0,0|2,0,0]=4 3621 B14R2.1128 CNc1cc2ccccc2cc1Br 7a_100009991566_200000210301 [0,1,0,1,0,0|2,0,0]=4 3622 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,1,0,0|1,0,0]=3 3623 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,1,0,0|1,0,0]=3 3624 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,1,0,0|1,0,0]=3 3625 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,1,0,0|1,0,0]=3 3626 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,1,0,0|1,0,0]=3 3627 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,1,0,0|1,0,0]=3 3628 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,1,0,0|1,0,0]=3 3629 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [0,1,0,1,0,0|2,0,0]=4 3630 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,1,0,0|2,0,0]=4 3631 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,1,0,0|2,0,0]=4 3632 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,1,0,0|2,0,0]=4 3633 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,1,0,0|2,0,0]=4 3634 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,1,0,1,0,0|2,0,0]=4 3635 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,1,0,1,0,0|2,0,0]=4 3636 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,1,0,1,0,0|2,0,0]=4 3637 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,1,0,1,0,0|2,0,0]=4 3638 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,1,0,1,0,0|1,0,0]=3 3639 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,1,0,0|2,0,0]=4 3640 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200000210301_200010169544 [0,1,0,1,0,0|1,1,0]=4 3641 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200010169544_200000210301 [0,1,0,1,0,0|1,1,0]=4 3642 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_100010152806_200000210301 [0,1,0,1,0,0|1,1,0]=4 3643 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_200000210301_100010152806 [0,1,0,1,0,0|1,1,0]=4 3644 B14R2.1128 CSc1cc2ccccc2cc1N 62a_100009991566_200000210301 [0,1,0,1,0,0|1,1,0]=4 3645 B14R2.1128 CSc1cc2ccccc2cc1N 62a_200000210301_100009991566 [0,1,0,1,0,0|1,1,0]=4 3646 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,1,0,0|1,1,0]=4 3647 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [0,1,0,1,0,0|1,1,0]=4 3648 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,1,0,0|1,0,0]=3 3649 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,1,0,0|1,0,0]=3 3650 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,1,0,0|2,0,0]=4 3651 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,1,0,0|2,0,0]=4 3652 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 34a_100009991566_200025704644 [0,1,0,1,0,0|2,0,0]=4 3653 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 7a_100009991566_200025704644 [0,1,0,1,0,0|2,0,0]=4 3654 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,1,0,0|1,0,0]=3 3655 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,1,0,0|1,0,0]=3 3656 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,1,0,0|1,0,0]=3 3657 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,1,0,0|1,0,0]=3 3658 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [0,1,0,1,0,0|2,0,0]=4 3659 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,1,0,0|2,0,0]=4 3660 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,1,0,0|2,0,0]=4 3661 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,1,0,1,0,0|2,0,0]=4 3662 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,1,0,1,0,0|2,0,0]=4 3663 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200010169544_200025704644 [0,1,0,1,0,0|1,1,0]=4 3664 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200025704644_200010169544 [0,1,0,1,0,0|1,1,0]=4 3665 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_100010152806_200025704644 [0,1,0,1,0,0|1,1,0]=4 3666 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_200025704644_100010152806 [0,1,0,1,0,0|1,1,0]=4 3667 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_100009991566_200025704644 [0,1,0,1,0,0|1,1,0]=4 3668 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_200025704644_100009991566 [0,1,0,1,0,0|1,1,0]=4 3669 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,1,0,0|1,1,0]=4 3670 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [0,1,0,1,0,0|1,1,0]=4 3671 B14R2.2167 COc1cc2c(cc1C)COC2=O 7a_200010662192_200000210301 [0,1,0,1,0,0|1,0,1]=4 3672 B14R2.2167 COc1cc2c(cc1F)CCC2=O 34a_100000092147_200000210301 [0,1,0,1,0,0|0,0,2]=4 3673 B14R2.2167 COc1cc2c(cc1F)CCC2=O 7a_100000092147_200000210301 [0,1,0,1,0,0|0,0,2]=4 3674 B14R2.2167 COc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010233615 [0,1,0,1,0,0|0,0,2]=4 3675 B14R2.2167 Cc1cc2c(cc1O[13CH3])C(=O)OC2 7a_200010662192_200025704644 [0,1,0,1,0,0|1,0,1]=4 3676 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 34a_100000092147_200025704644 [0,1,0,1,0,0|0,0,2]=4 3677 B14R2.2167 [13CH3]Oc1cc2c(cc1F)CCC2=O 7a_100000092147_200025704644 [0,1,0,1,0,0|0,0,2]=4 3678 B14R2.2495 COc1ccc2c(c1O)C(=O)CC2 271570a_203496583355_100010009199 [0,1,0,1,0,0|0,0,2]=4 3679 B12R1.382 COc1cc(ccn1)OCC=O 34a_100012181050_200009817547 [0,0,0,0,1,1|1,0,1]=4 3680 B12R1.382 COc1cc(ccn1)SCC=O 62a_100000117307_200015260668 [0,0,0,0,1,1|1,0,1]=4 3681 B12R1.382 COc1cc(ccn1)SCC=O 62a_200015260668_100000117307 [0,0,0,0,1,1|1,0,1]=4 3682 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [0,0,0,0,1,1|1,0,1]=4 3683 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,0,0,0,1,1|1,0,1]=4 3684 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,0,0,0,1,1|1,0,1]=4 3685 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [0,0,0,0,1,1|1,0,1]=4 3686 B12R1.382 COc1ccnc(c1)SCC=O 62a_100009817693_200015260668 [0,0,0,0,1,1|1,0,1]=4 3687 B12R1.382 COc1ccnc(c1)SCC=O 62a_200015260668_100011216251 [0,0,0,0,1,1|1,0,1]=4 3688 B12R1.382 COc1cncc(c1)OCC=O 34a_100000084572_200009817547 [0,0,0,0,1,1|1,0,1]=4 3689 B12R1.382 COc1cncc(c1)OCC=O 7a_100000084572_200015260668 [0,0,0,0,1,1|1,0,1]=4 3690 B12R1.382 COc1cncc(c1)SCC=O 62a_100000050176_200015260668 [0,0,0,0,1,1|1,0,1]=4 3691 B12R1.382 COc1cncc(c1)SCC=O 62a_200015260668_100000050176 [0,0,0,0,1,1|1,0,1]=4