0 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,0,0,0,0,0|0,0,0]=0 14 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,0,0,0,0,0|2,0,1]=3 22 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,0,0,0,0,0|2,0,0]=2 25 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.16 CCCN(C)c1ccncn1 27a_100000747261_100000703185 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.16 CCCN(C)c1ncccn1 27a_100000747261_100000211032 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.16 CCNC(C)c1ccnnc1 269862a_100015525214_100012182992 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.16 CCNC(C)c1cncnc1 269862a_100015525214_100000757475 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,0,0,0,0,0|2,0,0]=2 56 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,0,0,0,0,0|2,0,0]=2 57 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,0,0,0,0,0|2,0,0]=2 59 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,0,0,0,0,0|1,0,1]=2 77 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,0,0,0,0,0|2,0,1]=3 78 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,0,0,0,0,0|2,0,1]=3 79 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,0,0,0,0,0|2,0,1]=3 80 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,0,0,0,0,0|0,0,0]=0 81 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,0,0,0,0,0|0,0,0]=0 82 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,0,0,0,0,0|0,0,0]=0 83 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,0,0,0,0,0|0,0,0]=0 84 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,0,0,0,0,0|0,0,0]=0 85 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,0,0,0,0,0|0,0,0]=0 86 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,0,0,0,0,0|1,0,0]=1 87 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,0,0,0,0,0|1,0,0]=1 88 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,0,0,0,0,0|1,0,0]=1 89 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,0,0,0,0,0|1,0,0]=1 90 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,0,0,0,0,0|1,0,0]=1 93 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,0,0,0,0,0|1,0,0]=1 94 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,0,0,0,0,0|1,0,0]=1 95 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,0,0,0,0,0|2,0,1]=3 96 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,0,0,0,0,0|3,0,1]=4 97 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,0,0,0,0,0|1,0,0]=1 98 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,0,0,0,0,0|1,0,0]=1 99 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,0,0,0,0,0|1,0,0]=1 100 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,0,0,0,0,0|2,0,0]=2 101 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,0,0,0,0,0|2,0,0]=2 103 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,0,0,0,0,0|2,0,0]=2 106 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,0,0,0,0,0|2,0,1]=3 107 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,0,0,0,0,0|2,0,1]=3 108 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,0,0,0,0,0|3,0,1]=4 109 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,0,0,0,0,0|3,0,1]=4 110 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,0,0,0,0,0|3,0,1]=4 113 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,0,0,0,0,0|3,0,1]=4 114 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,0,0,0,0,0|1,0,0]=1 115 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,0,0,0,0,0|1,0,0]=1 116 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,0,0,0,0,0|2,0,0]=2 118 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,0,0,0,0,0|2,0,0]=2 119 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,0,0,0,0,0|2,0,0]=2 120 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,0,0,0,0,0|2,0,0]=2 121 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,0,0,0,0,0|2,0,0]=2 124 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,0,0,0,0,0|3,0,1]=4 127 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,0,0,0,0,0|3,0,1]=4 128 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,0,0,0,0,0|3,0,1]=4 129 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 130 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,0,0,0,0,0|1,0,0]=1 133 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,0,0,0,0,0|2,0,0]=2 134 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,0,0,0,0,0|2,0,0]=2 135 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,0,0,0,0,0|2,0,0]=2 136 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,0,0,0,0,0|3,0,0]=3 137 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,0,0,0,0,0|2,0,1]=3 138 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,0,0,0,0,0|2,0,1]=3 139 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,0,0,0,0,0|3,0,1]=4 140 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,0,0,0,0,0|3,0,1]=4 141 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,0,0,0,0,0|3,0,1]=4 142 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,0,0,0,0,0|3,0,1]=4 144 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,0,0,0,0,0|3,0,1]=4 145 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,0,0,0,0,0|2,0,0]=2 146 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,0,0,0,0,0|2,0,0]=2 147 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,0,0,0,0,0|2,0,0]=2 149 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,0,0,0,0,0|2,0,0]=2 150 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,0,0,0,0|1,0,0]=2 151 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,0,0,0,0|1,0,0]=2 152 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,0,0,0,0|1,0,0]=2 153 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|1,0,0]=2 155 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|1,0,0]=2 156 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|1,0,1]=3 159 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,0,0|1,0,0]=2 160 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,0,0|1,0,0]=2 161 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,0,0|1,0,0]=2 162 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,0,0|1,0,0]=2 163 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,0,0|1,0,0]=2 164 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,0,0|1,0,0]=2 165 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,0,0|1,0,0]=2 166 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,0,0|1,0,0]=2 167 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,0,0|1,0,0]=2 168 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|1,0,1]=3 171 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|1,0,1]=3 172 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|1,0,1]=3 173 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|1,0,1]=3 174 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|0,0,0]=1 175 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|0,0,0]=1 176 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|0,0,0]=1 177 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|0,0,0]=1 178 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,0,0,0,0|1,0,0]=2 179 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,0,0,0,0|1,0,0]=2 180 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,0,0,0,0|1,0,0]=2 181 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,0,0,0,0|1,0,0]=2 182 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,0,0,0,0|1,0,0]=2 184 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,0,0,0,0|1,0,0]=2 185 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [1,0,0,0,0,0|2,0,0]=3 189 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [1,0,0,0,0,0|2,0,0]=3 190 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [1,0,0,0,0,0|2,0,0]=3 191 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|0,0,0]=1 193 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|1,0,0]=2 195 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|1,0,0]=2 196 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|1,0,0]=2 197 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|1,0,0]=2 198 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|1,0,0]=2 199 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|0,0,0]=1 202 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|1,0,0]=2 204 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|1,0,0]=2 205 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|2,0,1]=4 209 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 213 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 214 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 215 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,0]=2 217 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,0]=3 234 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 241 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 242 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 244 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 245 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|3,0,0]=4 258 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|0,0,0]=1 267 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|0,0,0]=1 268 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|0,0,0]=1 269 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|0,0,0]=1 270 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|0,0,0]=1 271 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 272 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 273 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|1,0,0]=2 274 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|1,0,0]=2 275 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|1,0,0]=2 276 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|1,0,0]=2 277 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|1,0,0]=2 278 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|1,0,0]=2 279 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 280 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|1,0,0]=2 281 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 282 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|2,0,0]=3 288 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|1,0,0]=2 296 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|1,0,0]=2 297 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|2,0,0]=3 298 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|2,0,0]=3 299 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|2,0,0]=3 300 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|2,0,0]=3 301 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|2,0,0]=3 304 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|0,0,0]=1 341 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|0,0,0]=1 342 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|1,0,0]=2 343 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 344 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 345 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|2,0,0]=3 346 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|2,0,0]=3 347 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|2,0,0]=3 348 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|1,0,0]=2 351 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|1,0,0]=2 352 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|2,0,0]=3 354 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|2,0,0]=3 355 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|2,0,0]=3 356 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|2,0,0]=3 357 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|2,0,0]=3 358 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|2,0,0]=3 359 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|2,0,0]=3 360 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.3 C#CCN(CC)c1ccccc1 2230a_100000210013_100000038162 [0,1,0,0,0,0|2,0,1]=4 363 B12R1.3 C#CCN(CC)c1ccccc1 34a_100000210013_100000184674 [0,1,0,0,0,0|2,0,1]=4 364 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,1,0,0,0,0|2,0,1]=4 366 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,1,0,0,0,0|2,0,1]=4 368 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,1,0,0,0,0|1,0,1]=3 370 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,1,0,0,0,0|1,0,1]=3 371 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,1,0,0,0,0|1,0,1]=3 372 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,1,0,0,0,0|1,0,1]=3 373 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000210013_100000210623 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.3 C=CCN(CC)c1ccccc1 2230a_100000211662_100000210202 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000210013_100000210623 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.3 C=CCN(CC)c1ccccc1 269982a_100000211662_100000204670 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000210013_100015514636 [0,1,0,0,0,0|2,0,1]=4 378 B12R1.3 C=CCN(CC)c1ccccc1 34a_100000211662_100000210202 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.3 C=CCN(CF)c1ccccc1 269982a_100000211662_100015361967 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.3 C=CCN(CF)c1ccccc1 34a_100000211662_100015361967 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,1,0,0,0,0|0,0,0]=1 382 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,1,0,0,0,0|1,0,0]=2 384 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,1,0,0,0,0|1,0,0]=2 385 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,1,0,0,0,0|1,0,0]=2 386 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,1,0,0,0,0|1,0,0]=2 389 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,1,0,0,0,0|1,0,0]=2 390 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,1,0,0,0,0|1,0,0]=2 391 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,1,0,0,0,0|2,0,0]=3 392 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,1,0,0,0,0|2,0,0]=3 394 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,1,0,0,0,0|1,0,0]=2 396 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,1,0,0,0,0|1,0,0]=2 397 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,1,0,0,0,0|2,0,0]=3 398 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,1,0,0,0,0|1,0,0]=2 399 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,1,0,0,0,0|1,0,0]=2 400 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,1,0,0,0,0|1,0,0]=2 401 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,1,0,0,0,0|1,0,0]=2 402 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,1,0,0,0,0|2,0,0]=3 403 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,1,0,0,0,0|2,0,0]=3 404 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,1,0,0,0,0|2,0,0]=3 405 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,1,0,0,0,0|2,0,0]=3 406 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [0,1,0,0,0,0|2,0,0]=3 410 B12R1.3 CCN(CC#N)c1ccccc1 2230a_100000210013_100011215382 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.3 CCN(CC#N)c1ccccc1 269982a_100000210013_100011214920 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.3 CCN(CC=O)c1ccccc1 2230a_100000210013_200015260668 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.3 CCN(CC=O)c1ccccc1 269982a_100000210013_200015260668 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.3 CCN(CC=O)c1ccccc1 34a_100000210013_200009817547 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.3 CCN(CCF)c1ccccc1 2230a_100000210013_100011217306 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.3 CCN(CCF)c1ccccc1 269982a_100000210013_100011217306 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.3 CCN(CCF)c1ccccc1 34a_100000210013_100011217306 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000211345_100000210202 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000211345_100000204670 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.3 CCN(CCO)c1ccccc1 34a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.3 CCN(CCO)c1ccccc1 34a_100000211345_100000210202 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.3 CCN(COC)c1ccccc1 2230a_100000210013_100000766300 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.3 CCN(COC)c1ccccc1 269982a_100000210013_100000766300 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.3 CCN(CSC)c1ccccc1 2230a_100000210013_100011218213 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.3 CCN(CSC)c1ccccc1 269982a_100000210013_100011218213 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.3 CCN(CSC)c1ccccc1 34a_100000210013_100011218213 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.3 CCNC(CC)c1ccncc1 269862a_100015525214_100011216016 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.3 CCNC(CO)c1ccccn1 2230a_100015196888_100000210202 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.3 CCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210202 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,1,0,0,0,0|2,0,1]=4 441 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,1,0,0,0,0|2,0,0]=3 446 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,1,0,0,0,0|2,0,0]=3 447 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,1,0,0,0,0|2,0,0]=3 448 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,1,0,0,0,0|2,0,0]=3 449 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,1,0,0,0,0|1,0,0]=2 450 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,1,0,0,0,0|1,0,0]=2 452 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,1,0,0,0,0|1,0,0]=2 453 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,1,0,0,0,0|1,0,0]=2 455 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,1,0,0,0,0|1,0,0]=2 456 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,1,0,0,0,0|1,0,0]=2 457 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,1,0,0,0,0|1,0,0]=2 458 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,1,0,0,0,0|1,0,0]=2 459 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,1,0,0,0,0|1,0,0]=2 460 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.3 OCCN(CF)c1ccccc1 269982a_100000211345_100015361967 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.3 OCCN(CF)c1ccccc1 34a_100000211345_100015361967 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,1,0,0,0,0|2,0,0]=3 474 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,1,0,0,0,0|2,0,0]=3 475 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.16 C#CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000038162 [0,1,0,0,0,0|2,0,1]=4 480 B12R1.16 C#CCN(C)c1ccc(cc1)Br 34a_100000219623_100000184674 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.16 C#CCN(C)c1ccc(cc1)C 2230a_100000219977_100000038162 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.16 C#CCN(C)c1ccc(cc1)C 34a_100000219977_100000184674 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.16 C#CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000038162 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.16 C#CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000184674 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.16 C#CCN(C)c1ccc(cc1)F 2230a_100000219829_100000038162 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.16 C#CCN(C)c1ccc(cc1)F 34a_100000219829_100000184674 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.16 C#CCN(C)c1ccc(cc1)I 2230a_100000743151_100000038162 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.16 C#CCN(C)c1ccc(cc1)I 34a_100000743151_100000184674 [0,1,0,0,0,0|2,0,1]=4 489 B12R1.16 C#CCN(C)c1ccc(cc1)O 34a_100000182112_100000184674 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,1,0,0,0,0|2,0,1]=4 492 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,1,0,0,0,0|2,0,1]=4 493 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,1,0,0,0,0|2,0,1]=4 495 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,1,0,0,0,0|2,0,1]=4 506 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,1,0,0,0,0|2,0,1]=4 507 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,1,0,0,0,0|2,0,1]=4 508 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,1,0,0,0,0|0,0,0]=1 509 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100000755118_100015361967 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100015361967_100000755118 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100000684792_100015361967 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100015361967_100000684792 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100000743420_100015361967 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100015361967_100000743420 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,1,0,0,0,0|2,0,1]=4 522 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [0,1,0,0,0,0|2,0,0]=3 537 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [0,1,0,0,0,0|2,0,0]=3 539 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [0,1,0,0,0,0|2,0,0]=3 540 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [0,1,0,0,0,0|2,0,0]=3 541 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.16 CCCN(C)c1ccc(cn1)Br 27a_100000747261_100000686858 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.16 CCNC(C)c1cc[n+](cc1)[O-] 269862a_100015525214_100000076990 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.16 CCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210202 [0,1,0,0,0,0|3,0,0]=4 557 B12R1.16 CCNC(C)c1ccc(cn1)Br 269862a_100015525214_100000686046 [0,1,0,0,0,0|3,0,0]=4 558 B12R1.16 CCNC(C)c1ccc(cn1)Br 270004a_100015525214_100000686046 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.16 CCNC(C)c1ccc(cn1)C 269862a_100015525214_100000084104 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.16 CCNC(C)c1ccc(cn1)C 270004a_100015525214_100000084104 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.16 CCNC(C)c1ccc(cn1)Cl 269862a_100015525214_100000692432 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.16 CCNC(C)c1ccc(cn1)Cl 270004a_100015525214_100000692432 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.16 CCNC(C)c1ccc(cn1)F 269862a_100015525214_100102946652 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.16 CCNC(C)c1ccc(cn1)F 270004a_100015525214_100102946652 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.16 CCNC(C)c1ccc(nc1)Br 269862a_100015525214_100000684857 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.16 CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210202 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.16 CCNC(C)c1ccc(nc1)C 269862a_100015525214_100011280547 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.16 CCNC(C)c1ccc(nc1)C 34a_100011815741_100000210202 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.16 CCNC(C)c1ccc(nc1)Cl 269862a_100015525214_100000690552 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.16 CCNC(C)c1ccc(nc1)F 269862a_100015525214_100000085738 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,1,0,0,0,0|2,0,0]=3 573 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.16 CCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000210202 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,1,0,0,0,0|2,0,0]=3 585 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,1,0,0,0,0|2,0,0]=3 586 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.16 CCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210202 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.16 CCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210202 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.16 CCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210202 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.16 CCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210202 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.16 CCOC(C)c1ccc(nc1)C 34a_200011815720_100000210202 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.16 CCOC(C)c1ccc(nc1)C 7a_200011815720_100000210202 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.16 CCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210202 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.16 CCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210202 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,1,0,0,0,0|2,0,0]=3 598 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,1,0,0,0,0|2,0,0]=3 599 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,1,0,0,0,0|2,0,0]=3 600 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,1,0,0,0,0|2,0,0]=3 608 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.16 CN(CC#N)c1ccc(cc1)Br 2230a_100000219623_100011215382 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.16 CN(CC#N)c1ccc(cc1)Br 269982a_100000219623_100011214920 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 2230a_100020629279_100011215382 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 269982a_100020629279_100011214920 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.16 CN(CC#N)c1ccc(cc1)F 2230a_100000219829_100011215382 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.16 CN(CC#N)c1ccc(cc1)F 2230a_100011199736_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.16 CN(CC#N)c1ccc(cc1)F 269982a_100000219829_100011214920 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.16 CN(CC#N)c1ccc(cc1)F 34a_100011199736_200000210301 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.16 CN(CC#N)c1ccc(cc1)I 2230a_100000743151_100011215382 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.16 CN(CC#N)c1ccc(cc1)I 269982a_100000743151_100011214920 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.16 CN(CC#N)c1ccc(cc1)O 269982a_100000182112_100011214920 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.16 CN(CCF)c1ccc(cc1)Br 2230a_100000219623_100011217306 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.16 CN(CCF)c1ccc(cc1)Br 269982a_100000219623_100011217306 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.16 CN(CCF)c1ccc(cc1)Br 34a_100000219623_100011217306 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.16 CN(CCF)c1ccc(cc1)Cl 2230a_100020629279_100011217306 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.16 CN(CCF)c1ccc(cc1)Cl 269982a_100020629279_100011217306 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.16 CN(CCF)c1ccc(cc1)Cl 34a_100020629279_100011217306 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.16 CN(CCF)c1ccc(cc1)F 2230a_100000219829_100011217306 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.16 CN(CCF)c1ccc(cc1)F 269982a_100000219829_100011217306 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.16 CN(CCF)c1ccc(cc1)F 34a_100000219829_100011217306 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.16 CN(CCF)c1ccc(cc1)I 2230a_100000743151_100011217306 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.16 CN(CCF)c1ccc(cc1)I 269982a_100000743151_100011217306 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.16 CN(CCF)c1ccc(cc1)I 34a_100000743151_100011217306 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.16 CN(CCF)c1ccc(cc1)O 269982a_100000182112_100011217306 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.16 CN(CCF)c1ccc(cc1)O 34a_100000182112_100011217306 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.16 CN(CCO)c1ccc(cc1)Br 2230a_100000219623_100000211926 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.16 CN(CCO)c1ccc(cc1)Br 269982a_100000219623_100000211926 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.16 CN(CCO)c1ccc(cc1)Br 34a_100000219623_100000211926 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.16 CN(CCO)c1ccc(cc1)Cl 2230a_100020629279_100000211926 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.16 CN(CCO)c1ccc(cc1)Cl 269982a_100020629279_100000211926 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.16 CN(CCO)c1ccc(cc1)Cl 34a_100020629279_100000211926 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.16 CN(CCO)c1ccc(cc1)F 2230a_100000219829_100000211926 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.16 CN(CCO)c1ccc(cc1)F 269982a_100000219829_100000211926 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.16 CN(CCO)c1ccc(cc1)F 34a_100000219829_100000211926 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.16 CN(CCO)c1ccc(cc1)I 2230a_100000743151_100000211926 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.16 CN(CCO)c1ccc(cc1)I 269982a_100000743151_100000211926 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.16 CN(CCO)c1ccc(cc1)I 34a_100000743151_100000211926 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,1,0,0,0,0|1,0,1]=3 663 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,1,0,0,0,0|1,0,1]=3 664 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,1,0,0,0,0|1,0,1]=3 665 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,1,0,0,0,0|1,0,1]=3 666 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,1,0,0,0,0|1,0,1]=3 667 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,1,0,0,0,0|1,0,1]=3 668 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,1,0,0,0,0|1,0,1]=3 669 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,1,0,0,0,0|1,0,1]=3 670 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,1,0,0,0,0|1,0,1]=3 671 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,1,0,0,0,0|1,0,1]=3 672 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,1,0,0,0,0|1,0,1]=3 673 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,1,0,0,0,0|2,0,1]=4 674 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,1,0,0,0,0|0,0,0]=1 675 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,1,0,0,0,0|1,0,0]=2 676 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,1,0,0,0,0|1,0,0]=2 677 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,1,0,0,0,0|1,0,0]=2 678 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,1,0,0,0,0|1,0,0]=2 679 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,1,0,0,0,0|1,0,0]=2 680 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,1,0,0,0,0|1,0,0]=2 681 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,0,0|1,0,0]=2 682 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,1,0,0,0,0|1,0,0]=2 683 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,1,0,0,0,0|1,0,0]=2 684 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,1,0,0,0,0|1,0,0]=2 685 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,1,0,0,0,0|1,0,0]=2 686 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,1,0,0,0,0|1,0,0]=2 687 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,1,0,0,0,0|1,0,0]=2 688 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,1,0,0,0,0|2,0,1]=4 689 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,1,0,0,0,0|2,0,1]=4 690 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,1,0,0,0,0|2,0,1]=4 691 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,1,0,0,0,0|2,0,1]=4 692 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,1,0,0,0,0|2,0,1]=4 693 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,1,0,0,0,0|2,0,1]=4 694 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,1,0,0,0,0|2,0,1]=4 696 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,1,0,0,0,0|2,0,1]=4 698 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,1,0,0,0,0|2,0,1]=4 699 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,1,0,0,0,0|2,0,1]=4 700 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,1,0,0,0,0|2,0,0]=3 703 B12R1.16 COCN(C)c1ccc(cc1)Br 2230a_100000219623_100000766300 [0,1,0,0,0,0|2,0,0]=3 704 B12R1.16 COCN(C)c1ccc(cc1)Br 269982a_100000219623_100000766300 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.16 COCN(C)c1ccc(cc1)C 2230a_100000219977_100000766300 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.16 COCN(C)c1ccc(cc1)C 269982a_100000219977_100000766300 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.16 COCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000766300 [0,1,0,0,0,0|2,0,0]=3 708 B12R1.16 COCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000766300 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.16 COCN(C)c1ccc(cc1)F 2230a_100000219829_100000766300 [0,1,0,0,0,0|2,0,0]=3 710 B12R1.16 COCN(C)c1ccc(cc1)F 269982a_100000219829_100000766300 [0,1,0,0,0,0|2,0,0]=3 711 B12R1.16 COCN(C)c1ccc(cc1)I 2230a_100000743151_100000766300 [0,1,0,0,0,0|2,0,0]=3 712 B12R1.16 COCN(C)c1ccc(cc1)I 269982a_100000743151_100000766300 [0,1,0,0,0,0|2,0,0]=3 713 B12R1.16 COCN(C)c1ccc(cc1)O 269982a_100000182112_100000766300 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,0,0,0,0|2,0,0]=3 715 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,0,0,0,0|2,0,0]=3 716 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,1,0,0,0,0|2,0,0]=3 717 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,1,0,0,0,0|2,0,1]=4 718 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,1,0,0,0,0|2,0,1]=4 719 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,1,0,0,0,0|2,0,1]=4 720 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,1,0,0,0,0|2,0,1]=4 721 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,1,0,0,0,0|2,0,1]=4 722 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,1,0,0,0,0|2,0,1]=4 724 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,1,0,0,0,0|2,0,1]=4 725 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,1,0,0,0,0|2,0,1]=4 726 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,1,0,0,0,0|2,0,0]=3 729 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,1,0,0,0,0|2,0,0]=3 730 B12R1.16 CSCN(C)c1ccc(cc1)Br 2230a_100000219623_100011218213 [0,1,0,0,0,0|2,0,0]=3 731 B12R1.16 CSCN(C)c1ccc(cc1)Br 269982a_100000219623_100011218213 [0,1,0,0,0,0|2,0,0]=3 732 B12R1.16 CSCN(C)c1ccc(cc1)Br 34a_100000219623_100011218213 [0,1,0,0,0,0|2,0,0]=3 733 B12R1.16 CSCN(C)c1ccc(cc1)C 2230a_100000219977_100011218213 [0,1,0,0,0,0|2,0,0]=3 734 B12R1.16 CSCN(C)c1ccc(cc1)C 269982a_100000219977_100011218213 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.16 CSCN(C)c1ccc(cc1)C 34a_100000219977_100011218213 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.16 CSCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218213 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.16 CSCN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218213 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.16 CSCN(C)c1ccc(cc1)Cl 34a_100020629279_100011218213 [0,1,0,0,0,0|2,0,0]=3 739 B12R1.16 CSCN(C)c1ccc(cc1)F 2230a_100000219829_100011218213 [0,1,0,0,0,0|2,0,0]=3 740 B12R1.16 CSCN(C)c1ccc(cc1)F 269982a_100000219829_100011218213 [0,1,0,0,0,0|2,0,0]=3 741 B12R1.16 CSCN(C)c1ccc(cc1)F 34a_100000219829_100011218213 [0,1,0,0,0,0|2,0,0]=3 742 B12R1.16 CSCN(C)c1ccc(cc1)I 2230a_100000743151_100011218213 [0,1,0,0,0,0|2,0,0]=3 743 B12R1.16 CSCN(C)c1ccc(cc1)I 269982a_100000743151_100011218213 [0,1,0,0,0,0|2,0,0]=3 744 B12R1.16 CSCN(C)c1ccc(cc1)I 34a_100000743151_100011218213 [0,1,0,0,0,0|2,0,0]=3 745 B12R1.16 CSCN(C)c1ccc(cc1)O 269982a_100000182112_100011218213 [0,1,0,0,0,0|2,0,0]=3 746 B12R1.16 CSCN(C)c1ccc(cc1)O 34a_100000182112_100011218213 [0,1,0,0,0,0|2,0,0]=3 747 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,1,0,0,0,0|2,0,1]=4 754 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,1,0,0,0,0|2,0,1]=4 755 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100011261388_100015361967 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100015361967_100011261388 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,1,0,0,0,0|1,0,0]=2 758 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,1,0,0,0,0|1,0,0]=2 759 B12R1.16 Cc1ccc(cc1)N(C)CC#N 2230a_100000219977_100011215382 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.16 Cc1ccc(cc1)N(C)CC#N 269982a_100000219977_100011214920 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.16 Cc1ccc(cc1)N(C)CCF 2230a_100000219977_100011217306 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.16 Cc1ccc(cc1)N(C)CCF 269982a_100000219977_100011217306 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.16 Cc1ccc(cc1)N(C)CCF 34a_100000219977_100011217306 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.16 Cc1ccc(cc1)N(C)CCO 2230a_100000219977_100000211926 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.16 Cc1ccc(cc1)N(C)CCO 269982a_100000219977_100000211926 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.16 Cc1ccc(cc1)N(C)CCO 34a_100000219977_100000211926 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.16 [13CH3]N(CC#N)c1ccc(cc1)F 2230a_100011199736_200025704644 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.16 [13CH3]N(CC#N)c1ccc(cc1)F 34a_100011199736_200025704644 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,1,0,0,0,0|1,0,0]=2 778 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,1,0,0,0,0|1,0,0]=2 779 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,1,0,0,0,0|1,0,0]=2 780 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,0,0|1,0,0]=2 781 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,1,0,0,0,0|1,0,0]=2 782 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,1,0,0,0,0|2,0,1]=4 783 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,1,0,0,0,0|2,0,1]=4 787 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,1,0,0,0,0|2,0,1]=4 788 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,1,0,0,0,0|2,0,1]=4 789 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,1,0,0,0,0|2,0,1]=4 790 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,1,0,0,0,0|2,0,1]=4 791 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,1,0,0,0,0|2,0,1]=4 792 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,1,0,0,0,0|2,0,1]=4 795 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,1,0,0,0,0|2,0,0]=3 796 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,1,0,0,0,0|2,0,0]=3 797 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.17 C#CCN(C)c1cccc(c1)Br 2230a_100000219648_100000038162 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.17 C#CCN(C)c1cccc(c1)Br 34a_100000219648_100000184674 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.17 C#CCN(C)c1cccc(c1)C 2230a_100000219674_100000038162 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.17 C#CCN(C)c1cccc(c1)C 34a_100000219674_100000184674 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.17 C#CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000038162 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.17 C#CCN(C)c1cccc(c1)Cl 34a_100000220044_100000184674 [0,1,0,0,0,0|2,0,1]=4 807 B12R1.17 C#CCN(C)c1cccc(c1)F 2230a_100020633736_100000038162 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.17 C#CCN(C)c1cccc(c1)F 34a_100020633736_100000184674 [0,1,0,0,0,0|2,0,1]=4 809 B12R1.17 C#CCN(C)c1cccc(c1)I 2230a_100000221217_100000038162 [0,1,0,0,0,0|2,0,1]=4 810 B12R1.17 C#CCN(C)c1cccc(c1)I 34a_100000221217_100000184674 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.17 C#CCN(C)c1cccc(c1)O 2230a_100000756613_100000038162 [0,1,0,0,0,0|2,0,1]=4 812 B12R1.17 C#CCN(C)c1cccc(c1)O 34a_100000756613_100000184674 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.17 C=CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210623 [0,1,0,0,0,0|2,0,1]=4 814 B12R1.17 C=CCN(C)c1cccc(c1)Br 269982a_100000219648_100000210623 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.17 C=CCN(C)c1cccc(c1)Br 34a_100000219648_100015514636 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.17 C=CCN(C)c1cccc(c1)C 2230a_100000219674_100000210623 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.17 C=CCN(C)c1cccc(c1)C 269982a_100000219674_100000210623 [0,1,0,0,0,0|2,0,1]=4 818 B12R1.17 C=CCN(C)c1cccc(c1)C 34a_100000219674_100015514636 [0,1,0,0,0,0|2,0,1]=4 819 B12R1.17 C=CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210623 [0,1,0,0,0,0|2,0,1]=4 820 B12R1.17 C=CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210623 [0,1,0,0,0,0|2,0,1]=4 821 B12R1.17 C=CCN(C)c1cccc(c1)Cl 34a_100000220044_100015514636 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.17 C=CCN(C)c1cccc(c1)F 2230a_100020633736_100000210623 [0,1,0,0,0,0|2,0,1]=4 823 B12R1.17 C=CCN(C)c1cccc(c1)F 269982a_100020633736_100000210623 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.17 C=CCN(C)c1cccc(c1)F 34a_100020633736_100015514636 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.17 C=CCN(C)c1cccc(c1)I 2230a_100000221217_100000210623 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.17 C=CCN(C)c1cccc(c1)I 269982a_100000221217_100000210623 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.17 C=CCN(C)c1cccc(c1)I 34a_100000221217_100015514636 [0,1,0,0,0,0|2,0,1]=4 828 B12R1.17 C=CCN(C)c1cccc(c1)O 2230a_100000756613_100000210623 [0,1,0,0,0,0|2,0,1]=4 829 B12R1.17 C=CCN(C)c1cccc(c1)O 269982a_100000756613_100000210623 [0,1,0,0,0,0|2,0,1]=4 830 B12R1.17 C=CCN(C)c1cccc(c1)O 34a_100000756613_100015514636 [0,1,0,0,0,0|2,0,1]=4 831 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.17 CC(OCF)c1cccc(c1)Br 34a_100000246457_100015361967 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.17 CC(OCF)c1cccc(c1)Br 7a_100000246457_100015361967 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.17 CC(OCF)c1cccc(c1)F 34a_100000744526_100015361967 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.17 CC(OCF)c1cccc(c1)F 7a_100000744526_100015361967 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.17 CC(OCF)c1cccc(c1)I 34a_100013085317_100015361967 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.17 CC(OCF)c1cccc(c1)I 7a_100013085317_100015361967 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.17 CCCN(C)c1cc(ccn1)F 27a_100000747261_100000764206 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.17 CCCN(C)c1cc[nH]c(=O)c1 27a_100000747261_100000061649 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.17 CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210303 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.17 CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210303 [0,1,0,0,0,0|2,0,0]=3 850 B12R1.17 CCCN(C)c1cccc(c1)Br 34a_100000219648_100000210303 [0,1,0,0,0,0|2,0,0]=3 851 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,1,0,0,0,0|2,0,0]=3 852 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,1,0,0,0,0|2,0,0]=3 853 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,1,0,0,0,0|2,0,0]=3 854 B12R1.17 CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210303 [0,1,0,0,0,0|2,0,0]=3 855 B12R1.17 CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210303 [0,1,0,0,0,0|2,0,0]=3 856 B12R1.17 CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210303 [0,1,0,0,0,0|2,0,0]=3 857 B12R1.17 CCCN(C)c1cccc(c1)F 2230a_100020633736_100000210303 [0,1,0,0,0,0|2,0,0]=3 858 B12R1.17 CCCN(C)c1cccc(c1)F 269982a_100020633736_100000210303 [0,1,0,0,0,0|2,0,0]=3 859 B12R1.17 CCCN(C)c1cccc(c1)F 34a_100020633736_100000210303 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.17 CCCN(C)c1cccc(c1)I 2230a_100000221217_100000210303 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.17 CCCN(C)c1cccc(c1)I 269982a_100000221217_100000210303 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.17 CCCN(C)c1cccc(c1)I 34a_100000221217_100000210303 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [0,1,0,0,0,0|2,0,0]=3 866 B12R1.17 CCCN(C)c1cccc(n1)F 27a_100000747261_100009815982 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.17 CCCN(C)c1ccnc(c1)C 27a_100000747261_100000758586 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.17 CCCN(C)c1ccnc(c1)F 27a_100000747261_100009816116 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.17 CCNC(C)c1cc(ccn1)Br 269862a_100015525214_100000709912 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.17 CCNC(C)c1cc(ccn1)Br 270004a_100015525214_100000709912 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.17 CCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210202 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.17 CCNC(C)c1cc(ccn1)C 269862a_100015525214_100000728896 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.17 CCNC(C)c1cc(ccn1)C 270004a_100015525214_100000728896 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.17 CCNC(C)c1cc(ccn1)Cl 269862a_100015525214_100000099826 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.17 CCNC(C)c1cc(ccn1)Cl 270004a_100015525214_100000099826 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,1,0,0,0,0|2,0,0]=3 877 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,1,0,0,0,0|2,0,0]=3 878 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,1,0,0,0,0|2,0,0]=3 879 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,1,0,0,0,0|2,0,0]=3 883 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,1,0,0,0,0|2,0,0]=3 884 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,1,0,0,0,0|2,0,0]=3 885 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.17 CCNC(C)c1cccc(n1)Br 2230a_200010173468_100000210202 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.17 CCNC(C)c1cccc(n1)Br 269862a_100015525214_100009816502 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.17 CCNC(C)c1cccc(n1)C 2230a_100011877385_100000210202 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.17 CCNC(C)c1cccc(n1)C 269862a_100015525214_100011877301 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.17 CCNC(C)c1cccc(n1)Cl 269862a_100015525214_100000085735 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.17 CCNC(C)c1cccc(n1)F 269862a_100015525214_100000092306 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.17 CCNC(C)c1ccnc(c1)Br 269862a_100015525214_100010177706 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.17 CCNC(C)c1ccnc(c1)C 269862a_100015525214_100011998260 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.17 CCNC(C)c1ccnc(c1)Cl 269862a_100015525214_100000685609 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.17 CCNC(C)c1cncc(c1)Br 269862a_100015525214_100011216243 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.17 CCNC(C)c1cncc(c1)C 269862a_100015525214_100000702010 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.17 CCNC(C)c1cncc(c1)F 269862a_100015525214_100000758212 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.17 CCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000210202 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.17 CCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000210202 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,1,0,0,0,0|2,0,0]=3 903 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,1,0,0,0,0|2,0,0]=3 904 B12R1.17 CCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000210202 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.17 CCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210202 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,1,0,0,0,0|2,0,0]=3 907 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,1,0,0,0,0|2,0,0]=3 908 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,1,0,0,0,0|2,0,0]=3 910 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,1,0,0,0,0|2,0,0]=3 911 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,1,0,0,0,0|2,0,0]=3 913 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,1,0,0,0,0|2,0,0]=3 914 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,1,0,0,0,0|2,0,0]=3 915 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,1,0,0,0,0|2,0,0]=3 916 B12R1.17 CCOC(C)c1cccc(n1)Br 7a_100009820884_100000210202 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.17 CCOC(C)c1cccc(n1)C 34a_200011877368_100000210202 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.17 CCOC(C)c1cccc(n1)C 7a_200011877368_100000210202 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.17 CCOC(C)c1cncc(c1)Br 34a_100012351597_100000210202 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.17 CCOC(C)c1cncc(c1)Br 7a_100012351597_100000210202 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,1,0,0,0,0|2,0,0]=3 922 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,1,0,0,0,0|2,0,0]=3 923 B12R1.17 CN(CC#N)c1cccc(c1)Br 2230a_100000219648_100011215382 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.17 CN(CC#N)c1cccc(c1)Br 269982a_100000219648_100011214920 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.17 CN(CC#N)c1cccc(c1)Cl 2230a_100000220044_100011215382 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.17 CN(CC#N)c1cccc(c1)Cl 269982a_100000220044_100011214920 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.17 CN(CC#N)c1cccc(c1)F 2230a_100020633736_100011215382 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.17 CN(CC#N)c1cccc(c1)F 269982a_100020633736_100011214920 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.17 CN(CC#N)c1cccc(c1)I 2230a_100000221217_100011215382 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.17 CN(CC#N)c1cccc(c1)I 269982a_100000221217_100011214920 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.17 CN(CC#N)c1cccc(c1)O 2230a_100000756613_100011215382 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.17 CN(CC#N)c1cccc(c1)O 269982a_100000756613_100011214920 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.17 CN(CC=O)c1cccc(c1)Br 2230a_100000219648_200015260668 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.17 CN(CC=O)c1cccc(c1)Br 269982a_100000219648_200015260668 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.17 CN(CC=O)c1cccc(c1)Br 34a_100000219648_200009817547 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.17 CN(CC=O)c1cccc(c1)Cl 2230a_100000220044_200015260668 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.17 CN(CC=O)c1cccc(c1)Cl 269982a_100000220044_200015260668 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.17 CN(CC=O)c1cccc(c1)Cl 34a_100000220044_200009817547 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.17 CN(CC=O)c1cccc(c1)F 2230a_100020633736_200015260668 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.17 CN(CC=O)c1cccc(c1)F 269982a_100020633736_200015260668 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.17 CN(CC=O)c1cccc(c1)F 34a_100020633736_200009817547 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.17 CN(CC=O)c1cccc(c1)I 2230a_100000221217_200015260668 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.17 CN(CC=O)c1cccc(c1)I 269982a_100000221217_200015260668 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.17 CN(CC=O)c1cccc(c1)I 34a_100000221217_200009817547 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.17 CN(CC=O)c1cccc(c1)O 2230a_100000756613_200015260668 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.17 CN(CC=O)c1cccc(c1)O 269982a_100000756613_200015260668 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.17 CN(CC=O)c1cccc(c1)O 34a_100000756613_200009817547 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.17 CN(CCF)c1cccc(c1)Br 2230a_100000219648_100011217306 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.17 CN(CCF)c1cccc(c1)Br 269982a_100000219648_100011217306 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.17 CN(CCF)c1cccc(c1)Br 34a_100000219648_100011217306 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.17 CN(CCF)c1cccc(c1)Cl 2230a_100000220044_100011217306 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.17 CN(CCF)c1cccc(c1)Cl 269982a_100000220044_100011217306 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.17 CN(CCF)c1cccc(c1)Cl 34a_100000220044_100011217306 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.17 CN(CCF)c1cccc(c1)F 2230a_100020633736_100011217306 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.17 CN(CCF)c1cccc(c1)F 269982a_100020633736_100011217306 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.17 CN(CCF)c1cccc(c1)F 34a_100020633736_100011217306 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.17 CN(CCF)c1cccc(c1)I 2230a_100000221217_100011217306 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.17 CN(CCF)c1cccc(c1)I 269982a_100000221217_100011217306 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.17 CN(CCF)c1cccc(c1)I 34a_100000221217_100011217306 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.17 CN(CCF)c1cccc(c1)O 2230a_100000756613_100011217306 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.17 CN(CCF)c1cccc(c1)O 269982a_100000756613_100011217306 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.17 CN(CCF)c1cccc(c1)O 34a_100000756613_100011217306 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.17 CN(CCO)c1cccc(c1)Br 2230a_100000219648_100000211926 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.17 CN(CCO)c1cccc(c1)Br 269982a_100000219648_100000211926 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.17 CN(CCO)c1cccc(c1)Br 34a_100000219648_100000211926 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.17 CN(CCO)c1cccc(c1)Cl 2230a_100000220044_100000211926 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.17 CN(CCO)c1cccc(c1)Cl 269982a_100000220044_100000211926 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.17 CN(CCO)c1cccc(c1)Cl 34a_100000220044_100000211926 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.17 CN(CCO)c1cccc(c1)F 2230a_100020633736_100000211926 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.17 CN(CCO)c1cccc(c1)F 269982a_100020633736_100000211926 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.17 CN(CCO)c1cccc(c1)F 34a_100020633736_100000211926 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.17 CN(CCO)c1cccc(c1)I 2230a_100000221217_100000211926 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.17 CN(CCO)c1cccc(c1)I 269982a_100000221217_100000211926 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.17 CN(CCO)c1cccc(c1)I 34a_100000221217_100000211926 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.17 CN(CCO)c1cccc(c1)O 2230a_100000756613_100000211926 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.17 CN(CCO)c1cccc(c1)O 269982a_100000756613_100000211926 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.17 CN(CCO)c1cccc(c1)O 34a_100000756613_100000211926 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,1,0,0,0,0|1,0,1]=3 979 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,1,0,0,0,0|1,0,1]=3 980 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,1,0,0,0,0|1,0,1]=3 981 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,1,0,0,0,0|1,0,1]=3 982 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,1,0,0,0,0|1,0,1]=3 983 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,1,0,0,0,0|1,0,1]=3 984 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,1,0,0,0,0|1,0,1]=3 985 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,1,0,0,0,0|1,0,1]=3 986 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,1,0,0,0,0|1,0,1]=3 987 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,1,0,0,0,0|1,0,1]=3 988 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,1,0,0,0,0|1,0,1]=3 989 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,1,0,0,0,0|1,0,1]=3 990 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,1,0,0,0,0|1,0,1]=3 991 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,1,0,0,0,0|1,0,0]=2 992 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,1,0,0,0,0|1,0,0]=2 993 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,1,0,0,0,0|1,0,0]=2 994 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,1,0,0,0,0|2,0,1]=4 995 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,1,0,0,0,0|2,0,1]=4 996 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,1,0,0,0,0|2,0,1]=4 997 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,1,0,0,0,0|2,0,1]=4 998 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,1,0,0,0,0|2,0,1]=4 999 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,1,0,0,0,0|2,0,1]=4 1000 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,1,0,0,0,0|2,0,1]=4 1001 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,1,0,0,0,0|2,0,1]=4 1002 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,1,0,0,0,0|2,0,1]=4 1003 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,1,0,0,0,0|2,0,1]=4 1004 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,1,0,0,0,0|2,0,1]=4 1005 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,1,0,0,0,0|2,0,1]=4 1006 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,1,0,0,0,0|2,0,1]=4 1007 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,1,0,0,0,0|2,0,1]=4 1008 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,1,0,0,0,0|2,0,0]=3 1009 B12R1.17 COCC(N)c1cccc(n1)F 34a_200020642391_200000210301 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.17 COCN(C)c1cccc(c1)Br 2230a_100000219648_100000766300 [0,1,0,0,0,0|2,0,0]=3 1011 B12R1.17 COCN(C)c1cccc(c1)Br 269982a_100000219648_100000766300 [0,1,0,0,0,0|2,0,0]=3 1012 B12R1.17 COCN(C)c1cccc(c1)C 2230a_100000219674_100000766300 [0,1,0,0,0,0|2,0,0]=3 1013 B12R1.17 COCN(C)c1cccc(c1)C 269982a_100000219674_100000766300 [0,1,0,0,0,0|2,0,0]=3 1014 B12R1.17 COCN(C)c1cccc(c1)Cl 2230a_100000220044_100000766300 [0,1,0,0,0,0|2,0,0]=3 1015 B12R1.17 COCN(C)c1cccc(c1)Cl 269982a_100000220044_100000766300 [0,1,0,0,0,0|2,0,0]=3 1016 B12R1.17 COCN(C)c1cccc(c1)F 2230a_100020633736_100000766300 [0,1,0,0,0,0|2,0,0]=3 1017 B12R1.17 COCN(C)c1cccc(c1)F 269982a_100020633736_100000766300 [0,1,0,0,0,0|2,0,0]=3 1018 B12R1.17 COCN(C)c1cccc(c1)I 2230a_100000221217_100000766300 [0,1,0,0,0,0|2,0,0]=3 1019 B12R1.17 COCN(C)c1cccc(c1)I 269982a_100000221217_100000766300 [0,1,0,0,0,0|2,0,0]=3 1020 B12R1.17 COCN(C)c1cccc(c1)O 2230a_100000756613_100000766300 [0,1,0,0,0,0|2,0,0]=3 1021 B12R1.17 COCN(C)c1cccc(c1)O 269982a_100000756613_100000766300 [0,1,0,0,0,0|2,0,0]=3 1022 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,1,0,0,0,0|2,0,0]=3 1023 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,1,0,0,0,0|2,0,0]=3 1024 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,1,0,0,0,0|2,0,0]=3 1025 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,1,0,0,0,0|2,0,1]=4 1026 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,1,0,0,0,0|2,0,1]=4 1027 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,1,0,0,0,0|2,0,1]=4 1028 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,1,0,0,0,0|2,0,1]=4 1029 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,1,0,0,0,0|2,0,1]=4 1030 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,1,0,0,0,0|2,0,1]=4 1031 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,1,0,0,0,0|2,0,1]=4 1032 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,1,0,0,0,0|2,0,1]=4 1033 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,1,0,0,0,0|2,0,1]=4 1034 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,1,0,0,0,0|2,0,1]=4 1035 B12R1.17 CSCN(C)c1cccc(c1)Br 2230a_100000219648_100011218213 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.17 CSCN(C)c1cccc(c1)Br 269982a_100000219648_100011218213 [0,1,0,0,0,0|2,0,0]=3 1037 B12R1.17 CSCN(C)c1cccc(c1)Br 34a_100000219648_100011218213 [0,1,0,0,0,0|2,0,0]=3 1038 B12R1.17 CSCN(C)c1cccc(c1)C 2230a_100000219674_100011218213 [0,1,0,0,0,0|2,0,0]=3 1039 B12R1.17 CSCN(C)c1cccc(c1)C 269982a_100000219674_100011218213 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.17 CSCN(C)c1cccc(c1)C 34a_100000219674_100011218213 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.17 CSCN(C)c1cccc(c1)Cl 2230a_100000220044_100011218213 [0,1,0,0,0,0|2,0,0]=3 1042 B12R1.17 CSCN(C)c1cccc(c1)Cl 269982a_100000220044_100011218213 [0,1,0,0,0,0|2,0,0]=3 1043 B12R1.17 CSCN(C)c1cccc(c1)Cl 34a_100000220044_100011218213 [0,1,0,0,0,0|2,0,0]=3 1044 B12R1.17 CSCN(C)c1cccc(c1)F 2230a_100020633736_100011218213 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.17 CSCN(C)c1cccc(c1)F 269982a_100020633736_100011218213 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.17 CSCN(C)c1cccc(c1)F 34a_100020633736_100011218213 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.17 CSCN(C)c1cccc(c1)I 2230a_100000221217_100011218213 [0,1,0,0,0,0|2,0,0]=3 1048 B12R1.17 CSCN(C)c1cccc(c1)I 269982a_100000221217_100011218213 [0,1,0,0,0,0|2,0,0]=3 1049 B12R1.17 CSCN(C)c1cccc(c1)I 34a_100000221217_100011218213 [0,1,0,0,0,0|2,0,0]=3 1050 B12R1.17 CSCN(C)c1cccc(c1)O 2230a_100000756613_100011218213 [0,1,0,0,0,0|2,0,0]=3 1051 B12R1.17 CSCN(C)c1cccc(c1)O 269982a_100000756613_100011218213 [0,1,0,0,0,0|2,0,0]=3 1052 B12R1.17 CSCN(C)c1cccc(c1)O 34a_100000756613_100011218213 [0,1,0,0,0,0|2,0,0]=3 1053 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 34a_100000747380_100015361967 [0,1,0,0,0,0|3,0,0]=4 1055 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 7a_100000747380_100015361967 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,1,0,0,0,0|2,0,1]=4 1057 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,1,0,0,0,0|2,0,1]=4 1058 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.17 Cc1cccc(c1)N(C)CC#N 2230a_100000219674_100011215382 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.17 Cc1cccc(c1)N(C)CC#N 269982a_100000219674_100011214920 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.17 Cc1cccc(c1)N(C)CC=O 2230a_100000219674_200015260668 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.17 Cc1cccc(c1)N(C)CC=O 269982a_100000219674_200015260668 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.17 Cc1cccc(c1)N(C)CC=O 34a_100000219674_200009817547 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.17 Cc1cccc(c1)N(C)CCF 2230a_100000219674_100011217306 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.17 Cc1cccc(c1)N(C)CCF 269982a_100000219674_100011217306 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.17 Cc1cccc(c1)N(C)CCF 34a_100000219674_100011217306 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.17 Cc1cccc(c1)N(C)CCO 2230a_100000219674_100000211926 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.17 Cc1cccc(c1)N(C)CCO 269982a_100000219674_100000211926 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.17 Cc1cccc(c1)N(C)CCO 34a_100000219674_100000211926 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,1,0,0,0,0|1,0,0]=2 1075 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,1,0,0,0,0|1,0,0]=2 1076 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,1,0,0,0,0|2,0,1]=4 1077 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,1,0,0,0,0|2,0,1]=4 1078 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,1,0,0,0,0|2,0,1]=4 1079 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,1,0,0,0,0|2,0,0]=3 1080 B12R1.17 [13CH3]OCC(N)c1cccc(n1)F 34a_200020642391_200025704644 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,1,0,0,0,0|2,0,1]=4 1084 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,1,0,0,0,0|2,0,1]=4 1085 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,1,0,0,0,0|2,0,1]=4 1086 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,1,0,0,0,0|2,0,1]=4 1087 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,1,0,0,0,0|2,0,1]=4 1088 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,1,0,0,0,0|2,0,1]=4 1089 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [0,1,0,0,0,0|2,0,1]=4 1093 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [0,1,0,0,0,0|2,0,1]=4 1094 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,1,0,0,0,0|1,0,1]=3 1095 B12R1.30 C#CCNC(C)c1ccccn1 2230a_100000181244_100000038162 [0,1,0,0,0,0|2,0,1]=4 1096 B12R1.30 C#CCNC(C)c1cccnc1 2230a_100000195435_100000038162 [0,1,0,0,0,0|2,0,1]=4 1097 B12R1.30 C#CCNC(C)c1ccncc1 2230a_100000181269_100000038162 [0,1,0,0,0,0|2,0,1]=4 1098 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,1,0,0,0,0|1,0,1]=3 1099 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,1,0,0,0,0|1,0,1]=3 1100 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,1,0,0,0,0|1,0,1]=3 1101 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,1,0,0,0,0|1,0,1]=3 1102 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [0,1,0,0,0,0|1,0,1]=3 1103 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,1,0,0,0,0|2,0,1]=4 1104 B12R1.30 C/C=C/CN(C)c1ccccc1 269982a_100000210012_100102629194 [0,1,0,0,0,0|2,0,0]=3 1105 B12R1.30 C/C=C/CN(C)c1ccccc1 34a_100000210012_100102629194 [0,1,0,0,0,0|2,0,0]=3 1106 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,1,0,0,0,0|2,0,1]=4 1107 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,1,0,0,0,0|2,0,1]=4 1108 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,1,0,0,0,0|2,0,1]=4 1109 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,1,0,0,0,0|1,0,1]=3 1110 B12R1.30 C=CCNC(C)c1ccccn1 2230a_100000181244_100000210623 [0,1,0,0,0,0|2,0,1]=4 1111 B12R1.30 C=CCNC(C)c1cccnc1 2230a_100000195435_100000210623 [0,1,0,0,0,0|2,0,1]=4 1112 B12R1.30 C=CCNC(C)c1ccncc1 2230a_100000181269_100000210623 [0,1,0,0,0,0|2,0,1]=4 1113 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,1,0,0,0,0|1,0,1]=3 1114 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,1,0,0,0,0|1,0,1]=3 1115 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,1,0,0,0,0|1,0,1]=3 1116 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,1,0,0,0,0|1,0,1]=3 1117 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,1,0,0,0,0|1,0,1]=3 1118 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,1,0,0,0,0|1,0,1]=3 1119 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,1,0,0,0,0|2,0,1]=4 1120 B12R1.30 CC#CCN(C)c1ccccc1 2230a_100000210012_100000748600 [0,1,0,0,0,0|2,0,0]=3 1121 B12R1.30 CC#CCN(C)c1ccccc1 34a_100000210012_100000748600 [0,1,0,0,0,0|2,0,0]=3 1122 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,1,0,0,0,0|0,0,0]=1 1123 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,1,0,0,0,0|1,0,0]=2 1124 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,1,0,0,0,0|1,0,0]=2 1125 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,1,0,0,0,0|1,0,0]=2 1126 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,1,0,0,0,0|1,0,0]=2 1127 B12R1.30 CC(NCC#N)c1ccccn1 2230a_100000181244_100011215382 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.30 CC(NCC#N)c1cccnc1 2230a_100000195435_100011215382 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.30 CC(NCC#N)c1ccncc1 2230a_100000181269_100011215382 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.30 CC(NCC=O)c1ccccn1 2230a_100000181244_200015260668 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.30 CC(NCC=O)c1ccncc1 2230a_100000181269_200015260668 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,1,0,0,0,0|2,0,0]=3 1134 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,1,0,0,0,0|2,0,0]=3 1135 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,1,0,0,0,0|3,0,0]=4 1146 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,1,0,0,0,0|2,0,0]=3 1151 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [0,1,0,0,0,0|2,0,0]=3 1153 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,1,0,0,0,0|2,0,0]=3 1159 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,1,0,0,0,0|2,0,1]=4 1161 B12R1.30 CC=CCN(C)c1ccccc1 2230a_100000210012_100000070051 [0,1,0,0,0,0|2,0,0]=3 1162 B12R1.30 CC=CCN(C)c1ccccc1 34a_100000210012_100000070051 [0,1,0,0,0,0|2,0,0]=3 1163 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,0,0,0|2,0,1]=4 1164 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,1,0,0,0,0|2,0,0]=3 1165 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 1174 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 1175 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 1176 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,1,0,0,0,0|2,0,1]=4 1177 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,0,0,0,0|1,0,0]=2 1178 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,1,0,0,0,0|2,0,0]=3 1181 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,1,0,0,0,0|2,0,0]=3 1182 B12R1.30 CCCNC(C)c1cccnn1 269862a_100020643023_100009866853 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,1,0,0,0,0|2,0,0]=3 1184 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,1,0,0,0,0|2,0,0]=3 1185 B12R1.30 CCCNC(C)c1ccnnc1 269862a_100020643023_100012182992 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.30 CCCNC(C)c1cnccn1 269862a_100020643023_100000751083 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.30 CCCNC(C)c1cncnc1 269862a_100020643023_100000757475 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.30 CCCNC(C)c1ncccn1 2230a_100020641698_100000210303 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.30 CCCNC(C)c1ncccn1 270004a_100020643023_100011350828 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,0,0,0,0|1,0,0]=2 1191 B12R1.30 CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210303 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,0,0,0,0|1,0,0]=2 1193 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,0,0,0,0|1,0,0]=2 1194 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,0,0,0,0|1,0,0]=2 1195 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,0,0,0,0|1,0,0]=2 1196 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,0,0,0,0|1,0,0]=2 1197 B12R1.30 CCCSC(C)c1cnccn1 62a_100000210303_200000703233 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.30 CCCSC(C)c1cnccn1 62a_200000703233_100000210303 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,0,0,0,0|0,0,0]=1 1200 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,0,0,0,0|0,0,0]=1 1201 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,0,0,0,0|0,0,0]=1 1202 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,0,0,0,0|0,0,0]=1 1203 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,0,0,0,0|1,0,0]=2 1204 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,0,0,0,0|1,0,0]=2 1205 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,1,0,0,0,0|2,0,0]=3 1206 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,1,0,0,0,0|2,0,0]=3 1207 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,0,0,0,0|1,0,0]=2 1208 B12R1.30 CCNN=C(C)c1ccccc1 4a_100000756455_100000185851 [0,1,0,0,0,0|1,0,1]=3 1209 B12R1.30 CCNN=C(C)c1ccccn1 4a_100000756455_100000210467 [0,1,0,0,0,0|2,0,1]=4 1210 B12R1.30 CCNN=C(C)c1cccnc1 4a_100000756455_100000210468 [0,1,0,0,0,0|2,0,1]=4 1211 B12R1.30 CCNN=C(C)c1ccncc1 4a_100000756455_100000185792 [0,1,0,0,0,0|2,0,1]=4 1212 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,1,0,0,0,0|2,0,1]=4 1213 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,0,0,0,0|1,0,0]=2 1214 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,0,0,0,0|1,0,0]=2 1215 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,0,0,0,0|1,0,0]=2 1216 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,0,0,0,0|2,0,0]=3 1217 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,1,0,0,0,0|2,0,0]=3 1218 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 1219 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,0,0,0,0|2,0,0]=3 1221 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,1,0,0,0,0|2,0,1]=4 1222 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,1,0,0,0,0|2,0,1]=4 1223 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,0,0,0,0|1,0,0]=2 1224 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,0,0,0,0|1,0,0]=2 1225 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,0,0,0,0|2,0,0]=3 1226 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,0,0,0,0|2,0,0]=3 1227 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,0,0,0,0|2,0,0]=3 1229 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,0,0,0,0|2,0,0]=3 1230 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [0,1,0,0,0,0|2,0,1]=4 1231 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [0,1,0,0,0,0|2,0,1]=4 1232 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [0,1,0,0,0,0|2,0,1]=4 1233 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,1,0,0,0,0|2,0,0]=3 1234 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,1,0,0,0,0|2,0,0]=3 1235 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,1,0,0,0,0|2,0,0]=3 1236 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,1,0,0,0,0|2,0,0]=3 1237 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 1238 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,1,0,0,0,0|2,0,0]=3 1239 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 1240 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,1,0,0,0,0|2,0,0]=3 1241 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,0|2,0,0]=3 1242 B12R1.30 CN(CSC#N)c1ccccc1 269982a_100000210012_100000211825 [0,1,0,0,0,0|2,0,1]=4 1243 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,1,0,0,0,0|1,0,1]=3 1244 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,1,0,0,0,0|1,0,1]=3 1245 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,0,0,0,0|0,0,0]=1 1246 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,0,0,0,0|1,0,0]=2 1247 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,1,0,0,0,0|2,0,0]=3 1248 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,1,0,0,0,0|2,0,0]=3 1249 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,0,0,0,0|1,0,0]=2 1250 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,0,0,0,0|1,0,0]=2 1251 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,0,0,0,0|1,0,0]=2 1252 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,1,0,0,0,0|1,0,1]=3 1253 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,1,0,0,0,0|2,0,1]=4 1254 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,1,0,0,0,0|2,0,0]=3 1255 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,1,0,0,0,0|2,0,0]=3 1256 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,1,0,0,0,0|2,0,0]=3 1257 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,0,0,0,0|2,0,0]=3 1258 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,0,0,0,0|2,0,0]=3 1259 B12R1.30 COCNC(C)c1ccccn1 2230a_100000181244_100000766300 [0,1,0,0,0,0|2,0,0]=3 1260 B12R1.30 COCNC(C)c1cccnc1 2230a_100000195435_100000766300 [0,1,0,0,0,0|2,0,0]=3 1261 B12R1.30 COCNC(C)c1ccncc1 2230a_100000181269_100000766300 [0,1,0,0,0,0|2,0,0]=3 1262 B12R1.30 COCNC(C)c1ncccn1 2230a_100020641698_100000766300 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,1,0,0,0,0|1,0,0]=2 1264 B12R1.30 COCN[C@H](C)c1cnccn1 2230a_100020589798_100000766300 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,1,0,0,0,0|1,0,0]=2 1266 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,1,0,0,0,0|1,0,0]=2 1267 B12R1.30 COCSC(C)c1cnccn1 62a_100000766300_200000703233 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.30 COCSC(C)c1cnccn1 62a_200000703233_100000766300 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,1,0,0,0,0|2,0,1]=4 1270 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,1,0,0,0,0|2,0,1]=4 1271 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,1,0,0,0,0|2,0,1]=4 1272 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,1,0,0,0,0|2,0,0]=3 1273 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,1,0,0,0,0|2,0,0]=3 1274 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,1,0,0,0,0|2,0,0]=3 1275 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,1,0,0,0,0|3,0,0]=4 1276 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,0,0,0,0|2,0,0]=3 1277 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,0,0,0,0|2,0,0]=3 1278 B12R1.30 CSCNC(C)c1ccccn1 2230a_100000181244_100011218213 [0,1,0,0,0,0|2,0,0]=3 1279 B12R1.30 CSCNC(C)c1cccnc1 2230a_100000195435_100011218213 [0,1,0,0,0,0|2,0,0]=3 1280 B12R1.30 CSCNC(C)c1ccncc1 2230a_100000181269_100011218213 [0,1,0,0,0,0|2,0,0]=3 1281 B12R1.30 CSCNC(C)c1ncccn1 2230a_100020641698_100011218213 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,1,0,0,0,0|1,0,0]=2 1283 B12R1.30 CSCN[C@H](C)c1cnccn1 2230a_100020589798_100011218213 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,1,0,0,0,0|2,0,1]=4 1285 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,1,0,0,0,0|2,0,1]=4 1286 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,1,0,0,0,0|1,0,0]=2 1287 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,1,0,0,0,0|1,0,0]=2 1288 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,1,0,0,0,0|1,0,0]=2 1289 B12R1.30 CSCSC(C)c1cnccn1 62a_100011218213_200000703233 [0,1,0,0,0,0|3,0,0]=4 1290 B12R1.30 CSCSC(C)c1cnccn1 62a_200000703233_100011218213 [0,1,0,0,0,0|3,0,0]=4 1291 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,1,0,0,0,0|2,0,0]=3 1292 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,1,0,0,0,0|2,0,0]=3 1293 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,1,0,0,0,0|2,0,0]=3 1294 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,1,0,0,0,0|2,0,0]=3 1295 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,1,0,0,0,0|2,0,0]=3 1296 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,1,0,0,0,0|2,0,0]=3 1298 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,1,0,0,0,0|2,0,0]=3 1299 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,1,0,0,0,0|2,0,0]=3 1300 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,1,0,0,0,0|2,0,0]=3 1301 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,1,0,0,0,0|2,0,0]=3 1302 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|2,0,0]=3 1303 B12R1.30 N[C@H](COCF)c1ccncc1 34a_100138412524_100015361967 [0,1,0,0,0,0|3,0,0]=4 1304 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,1,0,0,0,0|2,0,1]=4 1305 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,1,0,0,0,0|2,0,1]=4 1306 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,1,0,0,0,0|2,0,1]=4 1307 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,1,0,0,0,0|2,0,1]=4 1308 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,1,0,0,0,0|2,0,0]=3 1310 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,1,0,0,0,0|2,0,0]=3 1311 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,1,0,0,0,0|2,0,0]=3 1312 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,1,0,0,0,0|2,0,0]=3 1313 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 1315 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 1316 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,0|2,0,0]=3 1317 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,0,0,0,0|1,0,0]=2 1318 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,0,0,0,0|2,0,0]=3 1319 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,1,0,0,0,0|2,0,1]=4 1320 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,1,0,0,0,0|2,0,1]=4 1321 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,1,0,0,0,0|3,0,0]=4 1322 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,0,0,0,0|2,0,0]=3 1323 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,0,0,0,0|2,0,0]=3 1324 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,1,0,0,0,0|2,0,1]=4 1325 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,1,0,0,0,0|2,0,1]=4 1326 B12R1.34 C#CC(=O)C(C)c1ccccc1 1458a_100000211873_100000230085 [0,1,0,0,0,0|1,0,2]=4 1327 B12R1.34 C#CC(C)N(C)c1ccccc1 34a_100000210012_200000035995 [0,1,0,0,0,0|2,0,1]=4 1328 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,0|0,0,3]=4 1329 B12R1.34 C=CC(=O)C(C)c1ccccc1 1458a_100000185746_100000230085 [0,1,0,0,0,0|1,0,2]=4 1330 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,1,0,0,0,0|2,0,1]=4 1331 B12R1.34 CC(C#N)N(C)c1ccccc1 2230a_100000210012_100000184139 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.34 CC(C#N)N(C)c1ccccc1 269982a_100000210012_100000703298 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.34 CC(C#N)N(C)c1ccccc1 34a_100000762819_200000210301 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.34 CC(C#N)N([13CH3])c1ccccc1 34a_100000762819_200025704644 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,0|2,0,1]=4 1336 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 1338 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,0|2,0,1]=4 1339 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,0|2,0,1]=4 1340 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,1,0,0,0,0|3,0,0]=4 1341 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|1,0,1]=3 1342 B12R1.34 CCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210202 [0,1,0,0,0,0|2,0,1]=4 1343 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,1]=4 1344 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,0|2,0,1]=4 1345 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,0|2,0,1]=4 1346 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,0|2,0,1]=4 1347 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|1,0,1]=3 1348 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|2,0,1]=4 1349 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|2,0,1]=4 1350 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,1,0,0,0,0|2,0,0]=3 1351 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,1,0,0,0,0|2,0,0]=3 1352 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,1,0,0,0,0|2,0,0]=3 1353 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,0,0,0,0|2,0,0]=3 1354 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,0,0,0,0|2,0,0]=3 1357 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [0,1,0,0,0,0|3,0,0]=4 1358 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.34 CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210202 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.34 CCN(C)C(C)c1cccnc1 269982a_100000232774_100000204670 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.34 CCN(C)C(C)c1ccncc1 2230a_100000231139_100000210202 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.34 CCN(C)C(C)c1ccncc1 269982a_100000231139_100000204670 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,1,0,0,0,0|1,0,1]=3 1364 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,1,0,0,0,0|1,0,1]=3 1365 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,1,0,0,0,0|1,0,1]=3 1366 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,1,0,0,0,0|1,0,1]=3 1367 B12R1.34 CNC(=O)C(C)c1ncccn1 11a_106832991635_100011934538 [0,1,0,0,0,0|2,0,1]=4 1368 B12R1.34 CNC(=O)C(C)c1ncccn1 240690a_100102657272_100011934538 [0,1,0,0,0,0|2,0,1]=4 1369 B12R1.34 CNC(=O)C(C)c1ncccn1 527a_100102657272_100011934538 [0,1,0,0,0,0|2,0,1]=4 1370 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,0|1,0,1]=3 1371 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,0|1,0,1]=3 1372 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,0|1,0,1]=3 1373 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,0|1,0,1]=3 1374 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,0|1,0,1]=3 1375 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,0|0,0,1]=2 1376 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,0|0,0,1]=2 1377 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,0|0,0,1]=2 1378 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,0|0,0,1]=2 1379 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,0|1,0,1]=3 1380 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,0|1,0,1]=3 1381 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,0|1,0,1]=3 1382 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,1,0,0,0,0|2,0,0]=3 1383 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,0|2,0,0]=3 1384 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,0|2,0,1]=4 1385 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,0|2,0,1]=4 1386 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,0|2,0,1]=4 1387 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,1,0,0,0,0|3,0,0]=4 1388 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,0|2,0,0]=3 1389 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [0,1,0,0,0,0|0,0,0]=1 1390 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [0,1,0,0,0,0|1,0,0]=2 1391 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [0,1,0,0,0,0|1,0,0]=2 1392 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [0,1,0,0,0,0|1,0,0]=2 1393 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [0,1,0,0,0,0|3,0,0]=4 1394 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100000034625_100015361967 [0,1,0,0,0,0|3,0,0]=4 1395 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100015361967_100000034625 [0,1,0,0,0,0|3,0,0]=4 1396 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,1,0,0,0,0|0,0,0]=1 1397 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,1,0,0,0,0|2,0,0]=3 1398 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,1,0,0,0,0|2,0,0]=3 1399 B12R1.39 CCNC(C)(C)c1ccccn1 2230a_100011999416_100000210202 [0,1,0,0,0,0|3,0,0]=4 1400 B12R1.39 CCNC(C)(C)c1cccnc1 2230a_100011376175_100000210202 [0,1,0,0,0,0|3,0,0]=4 1401 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [0,1,0,0,0,0|2,0,0]=3 1402 B12R1.39 CCOC(C)(C)c1ccccn1 7a_100000041474_100000210202 [0,1,0,0,0,0|3,0,0]=4 1403 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [0,1,0,0,0,0|2,0,0]=3 1405 B12R1.39 CCSC(F)(F)c1ccccc1 62a_100000210202_100000036403 [0,1,0,0,0,0|3,0,0]=4 1406 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [0,1,0,0,0,0|0,0,0]=1 1407 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,1,0,0,0,0|0,0,0]=1 1408 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [0,1,0,0,0,0|1,0,0]=2 1409 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [0,1,0,0,0,0|1,0,0]=2 1410 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,1,0,0,0,0|2,0,0]=3 1411 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [0,1,0,0,0,0|0,1,0]=2 1412 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [0,1,0,0,0,0|0,1,0]=2 1413 B12R1.39 CNNS(=O)(=O)c1ccccc1 40a_100016993582_100000032697 [0,1,0,0,0,0|3,0,0]=4 1414 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [0,1,0,0,0,0|1,0,0]=2 1415 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [0,1,0,0,0,0|2,0,0]=3 1416 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [0,1,0,0,0,0|3,0,0]=4 1417 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [0,1,0,0,0,0|1,0,0]=2 1418 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [0,1,0,0,0,0|1,0,0]=2 1419 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [0,1,0,0,0,0|2,0,0]=3 1420 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [0,1,0,0,0,0|2,0,0]=3 1421 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_100000240042_200000210301 [0,1,0,0,0,0|3,0,0]=4 1422 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_200000210301_100000240042 [0,1,0,0,0,0|3,0,0]=4 1423 B12R1.39 CSC[Si](C)(C)c1ccccc1 62a_100000038972_200000210301 [0,1,0,0,0,0|1,1,0]=3 1424 B12R1.39 CSC[Si](C)(C)c1ccccc1 62a_200000210301_100000038972 [0,1,0,0,0,0|1,1,0]=3 1425 B12R1.39 C[Si](C)(CS[13CH3])c1ccccc1 62a_100000038972_200025704644 [0,1,0,0,0,0|1,1,0]=3 1426 B12R1.39 C[Si](C)(CS[13CH3])c1ccccc1 62a_200025704644_100000038972 [0,1,0,0,0,0|1,1,0]=3 1427 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [0,1,0,0,0,0|1,0,0]=2 1428 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [0,1,0,0,0,0|2,0,0]=3 1429 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [0,1,0,0,0,0|2,0,0]=3 1430 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_100000240042_200025704644 [0,1,0,0,0,0|3,0,0]=4 1431 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_200025704644_100000240042 [0,1,0,0,0,0|3,0,0]=4 1432 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,0|2,0,1]=4 1433 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,1,0,0,0,0|2,0,0]=3 1434 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,1,0,0,0,0|2,0,0]=3 1435 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,1,0,0,0,0|2,0,0]=3 1436 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,1,0,0,0,0|2,0,1]=4 1437 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,1,0,0,0,0|2,0,1]=4 1438 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,1,0,0,0,0|2,0,1]=4 1439 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,0|1,0,2]=4 1440 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,0|1,0,2]=4 1441 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,0|2,0,1]=4 1442 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,0|1,0,0]=2 1443 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,0|1,0,0]=2 1444 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,0|2,0,0]=3 1445 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,0|2,0,0]=3 1446 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,0|2,0,0]=3 1447 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,0|2,0,0]=3 1448 B12R1.107 CC(=O)NC(C)c1ccccn1 11a_100000181244_100015343762 [0,1,0,0,0,0|3,0,0]=4 1449 B12R1.107 CC(=O)NC(C)c1ccccn1 1626a_100000181244_100015343762 [0,1,0,0,0,0|3,0,0]=4 1450 B12R1.107 CC(=O)NC(C)c1ccccn1 240690a_100000181244_100015343762 [0,1,0,0,0,0|3,0,0]=4 1451 B12R1.107 CC(=O)NC(C)c1ccccn1 527a_100000181244_100103153847 [0,1,0,0,0,0|3,0,0]=4 1452 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,1,0,0,0,0|3,0,0]=4 1453 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,1,0,0,0,0|3,0,0]=4 1454 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,1,0,0,0,0|3,0,0]=4 1455 B12R1.107 CC(=O)NC(C)c1ccncc1 240690a_100000181269_100015343762 [0,1,0,0,0,0|3,0,0]=4 1456 B12R1.107 CC(=O)NC(C)c1ccncc1 527a_100000181269_100103153847 [0,1,0,0,0,0|3,0,0]=4 1457 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,0|2,0,0]=3 1458 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,0|2,0,0]=3 1459 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,0|2,0,0]=3 1460 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,0|2,0,0]=3 1461 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,1,0,0,0,0|2,0,1]=4 1462 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,1,0,0,0,0|2,0,0]=3 1463 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,1,0,0,0,0|2,0,0]=3 1464 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,1,0,0,0,0|2,0,0]=3 1465 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,1,0,0,0,0|2,0,0]=3 1466 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,1,0,0,0,0|3,0,0]=4 1467 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,1,0,0,0,0|3,0,0]=4 1468 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,1,0,0,0,0|3,0,0]=4 1469 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,0,0,0,0|2,0,0]=3 1470 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,0,0,0,0|2,0,0]=3 1471 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,1,0,0,0,0|3,0,0]=4 1472 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,1,0,0,0,0|3,0,0]=4 1473 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,1,0,0,0,0|3,0,0]=4 1474 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,0,0,0,0|2,0,0]=3 1475 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,0,0,0,0|2,0,0]=3 1476 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,0,0,0,0|2,0,0]=3 1477 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,0,0,0,0|2,0,0]=3 1478 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,1,0,0,0,0|2,0,0]=3 1479 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,1,0,0,0,0|2,0,0]=3 1480 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,0|1,0,0]=2 1481 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,1,0,0,0,0|0,0,0]=1 1482 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,1,0,0,0,0|0,0,0]=1 1483 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,1,0,0,0,0|0,0,0]=1 1484 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,0|2,0,1]=4 1485 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,1,0,0,0,0|2,0,0]=3 1486 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,1,0,0,0,0|2,0,0]=3 1487 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,1,0,0,0,0|2,0,0]=3 1488 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,1,0,0,0,0|1,0,1]=3 1489 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,1,0,0,0,0|2,0,1]=4 1490 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,1,0,0,0,0|2,0,1]=4 1491 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,1,0,0,0,0|2,0,1]=4 1492 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,1,0,0,0,0|1,0,0]=2 1493 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,1,0,0,0,0|1,0,0]=2 1494 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,1,0,0,0,0|1,0,0]=2 1495 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,1,0,0,0,0|2,0,0]=3 1496 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,1,0,0,0,0|1,0,0]=2 1497 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,0,0|3,0,0]=4 1500 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,0,0|3,0,0]=4 1501 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,0,0|3,0,0]=4 1502 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,0|3,0,0]=4 1503 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,0|3,0,0]=4 1505 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,0|3,0,0]=4 1506 B12R1.107 CN(CC(F)F)c1ccccc1 2230a_100000210012_100011934356 [0,1,0,0,0,0|3,0,0]=4 1507 B12R1.107 CN(CC(F)F)c1ccccc1 269982a_100000210012_100011934356 [0,1,0,0,0,0|3,0,0]=4 1508 B12R1.107 CN(CC(F)F)c1ccccc1 34a_100000210012_100011934356 [0,1,0,0,0,0|3,0,0]=4 1509 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 269982a_100000210012_100000761209 [0,1,0,0,0,0|2,0,1]=4 1510 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 34a_100000210012_100000761209 [0,1,0,0,0,0|2,0,1]=4 1511 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,1,0,0,0,0|1,0,0]=2 1512 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,1,0,0,0,0|1,0,0]=2 1513 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,1,0,0,0,0|2,0,0]=3 1514 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,1,0,0,0,0|2,0,0]=3 1515 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,1,0,0,0,0|2,0,0]=3 1516 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,0|2,0,0]=3 1517 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,0,0|3,0,0]=4 1518 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,0,0|3,0,0]=4 1519 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,0|3,0,0]=4 1520 B12R1.308 C#CCN(C)c1ccccc1Br 2230a_100020606079_100000038162 [0,1,0,0,0,0|2,0,1]=4 1521 B12R1.308 C#CCN(C)c1ccccc1Br 34a_100020606079_100000184674 [0,1,0,0,0,0|2,0,1]=4 1522 B12R1.308 C#CCN(C)c1ccccc1C 2230a_100000219699_100000038162 [0,1,0,0,0,0|2,0,1]=4 1523 B12R1.308 C#CCN(C)c1ccccc1C 34a_100000219699_100000184674 [0,1,0,0,0,0|2,0,1]=4 1524 B12R1.308 C#CCN(C)c1ccccc1Cl 2230a_100000219374_100000038162 [0,1,0,0,0,0|2,0,1]=4 1525 B12R1.308 C#CCN(C)c1ccccc1Cl 34a_100000219374_100000184674 [0,1,0,0,0,0|2,0,1]=4 1526 B12R1.308 C#CCN(C)c1ccccc1F 2230a_100000220357_100000038162 [0,1,0,0,0,0|2,0,1]=4 1527 B12R1.308 C#CCN(C)c1ccccc1F 34a_100000220357_100000184674 [0,1,0,0,0,0|2,0,1]=4 1528 B12R1.308 C#CCN(C)c1ccccc1F 38a_100000220357_100000184674 [0,1,0,0,0,0|2,0,1]=4 1529 B12R1.308 C=CCN(C)c1ccccc1Br 2230a_100020606079_100000210623 [0,1,0,0,0,0|2,0,1]=4 1530 B12R1.308 C=CCN(C)c1ccccc1Br 269982a_100020606079_100000210623 [0,1,0,0,0,0|2,0,1]=4 1531 B12R1.308 C=CCN(C)c1ccccc1Br 34a_100020606079_100015514636 [0,1,0,0,0,0|2,0,1]=4 1532 B12R1.308 C=CCN(C)c1ccccc1C 2230a_100000219699_100000210623 [0,1,0,0,0,0|2,0,1]=4 1533 B12R1.308 C=CCN(C)c1ccccc1C 269982a_100000219699_100000210623 [0,1,0,0,0,0|2,0,1]=4 1534 B12R1.308 C=CCN(C)c1ccccc1C 34a_100000219699_100015514636 [0,1,0,0,0,0|2,0,1]=4 1535 B12R1.308 C=CCN(C)c1ccccc1Cl 2230a_100000219374_100000210623 [0,1,0,0,0,0|2,0,1]=4 1536 B12R1.308 C=CCN(C)c1ccccc1Cl 269982a_100000219374_100000210623 [0,1,0,0,0,0|2,0,1]=4 1537 B12R1.308 C=CCN(C)c1ccccc1Cl 34a_100000219374_100015514636 [0,1,0,0,0,0|2,0,1]=4 1538 B12R1.308 C=CCN(C)c1ccccc1F 2230a_100000220357_100000210623 [0,1,0,0,0,0|2,0,1]=4 1539 B12R1.308 C=CCN(C)c1ccccc1F 269982a_100000220357_100000210623 [0,1,0,0,0,0|2,0,1]=4 1540 B12R1.308 C=CCN(C)c1ccccc1F 34a_100000220357_100015514636 [0,1,0,0,0,0|2,0,1]=4 1541 B12R1.308 C=CCN(C)c1ccccc1F 38a_100000220357_100000210623 [0,1,0,0,0,0|2,0,1]=4 1542 B12R1.308 C=CCN(C)c1ccccc1O 269982a_100000033821_100000210623 [0,1,0,0,0,0|2,0,1]=4 1543 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,1,0,0,0,0|3,0,0]=4 1544 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100000181259_100015361967 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100015361967_100000181259 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.308 CC(SCF)c1ccccc1F 62a_100015361967_200000741388 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.308 CC(SCF)c1ccccc1F 62a_200000741388_100015361967 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,1,0,0,0,0|2,0,1]=4 1557 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,1,0,0,0,0|2,0,1]=4 1558 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,1,0,0,0,0|2,0,1]=4 1559 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,1,0,0,0,0|2,0,1]=4 1560 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,1,0,0,0,0|2,0,1]=4 1561 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,1,0,0,0,0|2,0,1]=4 1562 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,1,0,0,0,0|2,0,1]=4 1563 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [0,1,0,0,0,0|2,0,0]=3 1564 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [0,1,0,0,0,0|2,0,0]=3 1565 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [0,1,0,0,0,0|2,0,0]=3 1566 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [0,1,0,0,0,0|2,0,0]=3 1567 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [0,1,0,0,0,0|2,0,0]=3 1568 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [0,1,0,0,0,0|2,0,0]=3 1569 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [0,1,0,0,0,0|2,0,0]=3 1570 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [0,1,0,0,0,0|2,0,0]=3 1571 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [0,1,0,0,0,0|2,0,0]=3 1572 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [0,1,0,0,0,0|2,0,0]=3 1573 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [0,1,0,0,0,0|2,0,0]=3 1574 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [0,1,0,0,0,0|2,0,0]=3 1575 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [0,1,0,0,0,0|2,0,0]=3 1576 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [0,1,0,0,0,0|2,0,0]=3 1577 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [0,1,0,0,0,0|2,0,0]=3 1578 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [0,1,0,0,0,0|2,0,0]=3 1579 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,1,0,0,0,0|2,0,0]=3 1580 B12R1.308 CCCN(C)c1ccncc1Br 27a_100000747261_100000726257 [0,1,0,0,0,0|3,0,0]=4 1581 B12R1.308 CCCN(C)c1ccncc1C 27a_100000747261_100000765111 [0,1,0,0,0,0|3,0,0]=4 1582 B12R1.308 CCCN(C)c1ccncc1F 27a_100000747261_100000035921 [0,1,0,0,0,0|3,0,0]=4 1583 B12R1.308 CCCN(C)c1ncccc1Br 27a_100000747261_100000696092 [0,1,0,0,0,0|3,0,0]=4 1584 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [0,1,0,0,0,0|2,0,0]=3 1585 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [0,1,0,0,0,0|2,0,0]=3 1586 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [0,1,0,0,0,0|2,0,0]=3 1587 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,1,0,0,0,0|2,0,0]=3 1588 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,1,0,0,0,0|2,0,0]=3 1589 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,1,0,0,0,0|2,0,0]=3 1590 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,1,0,0,0,0|2,0,0]=3 1591 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,1,0,0,0,0|2,0,0]=3 1592 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,1,0,0,0,0|2,0,0]=3 1593 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,1,0,0,0,0|2,0,0]=3 1594 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,1,0,0,0,0|2,0,0]=3 1595 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,1,0,0,0,0|2,0,0]=3 1596 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,1,0,0,0,0|2,0,0]=3 1597 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,1,0,0,0,0|2,0,0]=3 1598 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,1,0,0,0,0|2,0,0]=3 1599 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,1,0,0,0,0|2,0,0]=3 1600 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,1,0,0,0,0|2,0,0]=3 1601 B12R1.308 CCNC(C)c1cccnc1C 269862a_100015525214_100011995960 [0,1,0,0,0,0|3,0,0]=4 1602 B12R1.308 CCNC(C)c1cccnc1O 2230a_100159269580_100000210202 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.308 CCNC(C)c1ccncc1Br 269862a_100015525214_100009993184 [0,1,0,0,0,0|3,0,0]=4 1604 B12R1.308 CCNC(C)c1ccncc1Cl 269862a_100015525214_100012001414 [0,1,0,0,0,0|3,0,0]=4 1605 B12R1.308 CCNC(C)c1ccncc1F 269862a_100015525214_100000727669 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.308 CCNC(C)c1cnccc1C 269862a_100015525214_100000693228 [0,1,0,0,0,0|3,0,0]=4 1607 B12R1.308 CCNC(C)c1cnccc1Cl 269862a_100015525214_100160469449 [0,1,0,0,0,0|3,0,0]=4 1608 B12R1.308 CCNC(C)c1ncccc1Br 2230a_100159271932_100000210202 [0,1,0,0,0,0|3,0,0]=4 1609 B12R1.308 CCNC(C)c1ncccc1Br 269862a_100015525214_100012348690 [0,1,0,0,0,0|3,0,0]=4 1610 B12R1.308 CCNC(C)c1ncccc1C 2230a_100011536111_100000210202 [0,1,0,0,0,0|3,0,0]=4 1611 B12R1.308 CCNC(C)c1ncccc1C 269862a_100015525214_100011536074 [0,1,0,0,0,0|3,0,0]=4 1612 B12R1.308 CCNC(C)c1ncccc1Cl 269862a_100015525214_100015267551 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.308 CCNC(C)c1ncccc1F 269862a_100015525214_100011997767 [0,1,0,0,0,0|3,0,0]=4 1614 B12R1.308 CCNC(C)c1ncccc1I 269862a_100015525214_200015599370 [0,1,0,0,0,0|3,0,0]=4 1615 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,0,0,0,0|2,0,0]=3 1616 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,1,0,0,0,0|2,0,0]=3 1617 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,1,0,0,0,0|2,0,0]=3 1618 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,1,0,0,0,0|2,0,0]=3 1619 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,1,0,0,0,0|2,0,0]=3 1620 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,1,0,0,0,0|2,0,0]=3 1621 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,1,0,0,0,0|2,0,0]=3 1622 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,1,0,0,0,0|2,0,0]=3 1623 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,1,0,0,0,0|2,0,0]=3 1624 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,1,0,0,0,0|2,0,0]=3 1625 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,1,0,0,0,0|2,0,0]=3 1626 B12R1.308 CCOC(C)c1cccnc1Cl 34a_100009865335_100000210202 [0,1,0,0,0,0|3,0,0]=4 1627 B12R1.308 CCOC(C)c1cccnc1Cl 7a_100009865335_100000210202 [0,1,0,0,0,0|3,0,0]=4 1628 B12R1.308 CCOC(C)c1ccncc1F 34a_100012180158_100000210202 [0,1,0,0,0,0|3,0,0]=4 1629 B12R1.308 CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210202 [0,1,0,0,0,0|3,0,0]=4 1630 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,1,0,0,0,0|2,0,0]=3 1631 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,1,0,0,0,0|2,0,0]=3 1632 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,1,0,0,0,0|2,0,0]=3 1633 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,1,0,0,0,0|2,0,0]=3 1634 B12R1.308 CN(CC#N)c1ccccc1Br 2230a_100020606079_100011215382 [0,1,0,0,0,0|3,0,0]=4 1635 B12R1.308 CN(CC#N)c1ccccc1Br 269982a_100020606079_100011214920 [0,1,0,0,0,0|3,0,0]=4 1636 B12R1.308 CN(CC#N)c1ccccc1Cl 2230a_100000219374_100011215382 [0,1,0,0,0,0|3,0,0]=4 1637 B12R1.308 CN(CC#N)c1ccccc1Cl 269982a_100000219374_100011214920 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.308 CN(CC#N)c1ccccc1F 2230a_100000220357_100011215382 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.308 CN(CC#N)c1ccccc1F 269982a_100000220357_100011214920 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.308 CN(CC#N)c1ccccc1O 269982a_100000033821_100011214920 [0,1,0,0,0,0|3,0,0]=4 1641 B12R1.308 CN(CC=O)c1ccccc1Br 2230a_100020606079_200015260668 [0,1,0,0,0,0|3,0,0]=4 1642 B12R1.308 CN(CC=O)c1ccccc1Br 269982a_100020606079_200015260668 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.308 CN(CC=O)c1ccccc1Br 34a_100020606079_200009817547 [0,1,0,0,0,0|3,0,0]=4 1644 B12R1.308 CN(CC=O)c1ccccc1Cl 2230a_100000219374_200015260668 [0,1,0,0,0,0|3,0,0]=4 1645 B12R1.308 CN(CC=O)c1ccccc1Cl 269982a_100000219374_200015260668 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.308 CN(CC=O)c1ccccc1Cl 34a_100000219374_200009817547 [0,1,0,0,0,0|3,0,0]=4 1647 B12R1.308 CN(CC=O)c1ccccc1F 2230a_100000220357_200015260668 [0,1,0,0,0,0|3,0,0]=4 1648 B12R1.308 CN(CC=O)c1ccccc1F 269982a_100000220357_200015260668 [0,1,0,0,0,0|3,0,0]=4 1649 B12R1.308 CN(CC=O)c1ccccc1F 34a_100000220357_200009817547 [0,1,0,0,0,0|3,0,0]=4 1650 B12R1.308 CN(CC=O)c1ccccc1O 269982a_100000033821_200015260668 [0,1,0,0,0,0|3,0,0]=4 1651 B12R1.308 CN(CCF)c1ccccc1Br 2230a_100020606079_100011217306 [0,1,0,0,0,0|3,0,0]=4 1652 B12R1.308 CN(CCF)c1ccccc1Br 269982a_100020606079_100011217306 [0,1,0,0,0,0|3,0,0]=4 1653 B12R1.308 CN(CCF)c1ccccc1Br 34a_100020606079_100011217306 [0,1,0,0,0,0|3,0,0]=4 1654 B12R1.308 CN(CCF)c1ccccc1Cl 2230a_100000219374_100011217306 [0,1,0,0,0,0|3,0,0]=4 1655 B12R1.308 CN(CCF)c1ccccc1Cl 269982a_100000219374_100011217306 [0,1,0,0,0,0|3,0,0]=4 1656 B12R1.308 CN(CCF)c1ccccc1Cl 34a_100000219374_100011217306 [0,1,0,0,0,0|3,0,0]=4 1657 B12R1.308 CN(CCF)c1ccccc1F 2230a_100000220357_100011217306 [0,1,0,0,0,0|3,0,0]=4 1658 B12R1.308 CN(CCF)c1ccccc1F 269982a_100000220357_100011217306 [0,1,0,0,0,0|3,0,0]=4 1659 B12R1.308 CN(CCF)c1ccccc1F 34a_100000220357_100011217306 [0,1,0,0,0,0|3,0,0]=4 1660 B12R1.308 CN(CCF)c1ccccc1F 38a_100000220357_100011217306 [0,1,0,0,0,0|3,0,0]=4 1661 B12R1.308 CN(CCF)c1ccccc1O 269982a_100000033821_100011217306 [0,1,0,0,0,0|3,0,0]=4 1662 B12R1.308 CN(CCO)c1ccccc1Br 2230a_100020606079_100000211926 [0,1,0,0,0,0|3,0,0]=4 1663 B12R1.308 CN(CCO)c1ccccc1Br 269982a_100020606079_100000211926 [0,1,0,0,0,0|3,0,0]=4 1664 B12R1.308 CN(CCO)c1ccccc1Br 34a_100020606079_100000211926 [0,1,0,0,0,0|3,0,0]=4 1665 B12R1.308 CN(CCO)c1ccccc1Cl 2230a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 1666 B12R1.308 CN(CCO)c1ccccc1Cl 269982a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 1667 B12R1.308 CN(CCO)c1ccccc1Cl 34a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 1668 B12R1.308 CN(CCO)c1ccccc1F 2230a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1669 B12R1.308 CN(CCO)c1ccccc1F 269982a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1670 B12R1.308 CN(CCO)c1ccccc1F 34a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1671 B12R1.308 CN(CCO)c1ccccc1F 38a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1672 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,1,0,0,0,0|3,0,0]=4 1673 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,1,0,0,0,0|1,0,1]=3 1674 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,1,0,0,0,0|1,0,1]=3 1675 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,1,0,0,0,0|1,0,1]=3 1676 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,1,0,0,0,0|1,0,1]=3 1677 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,1,0,0,0,0|1,0,1]=3 1678 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,1,0,0,0,0|1,0,1]=3 1679 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,1,0,0,0,0|1,0,1]=3 1680 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,1,0,0,0,0|1,0,1]=3 1681 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,1,0,0,0,0|1,0,0]=2 1682 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,1,0,0,0,0|1,0,0]=2 1683 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,1,0,0,0,0|1,0,0]=2 1684 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,1,0,0,0,0|2,0,1]=4 1685 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,1,0,0,0,0|2,0,1]=4 1686 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,1,0,0,0,0|2,0,1]=4 1687 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,1,0,0,0,0|2,0,1]=4 1688 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,1,0,0,0,0|2,0,1]=4 1689 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,1,0,0,0,0|2,0,1]=4 1690 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,1,0,0,0,0|2,0,1]=4 1691 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,1,0,0,0,0|2,0,1]=4 1692 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,1,0,0,0,0|2,0,1]=4 1693 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,1,0,0,0,0|2,0,1]=4 1694 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,1,0,0,0,0|2,0,1]=4 1695 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,1,0,0,0,0|2,0,0]=3 1696 B12R1.308 COCC(N)c1ccncc1Cl 34a_200020642286_200000210301 [0,1,0,0,0,0|3,0,0]=4 1697 B12R1.308 COCN(C)c1ccccc1Br 2230a_100020606079_100000766300 [0,1,0,0,0,0|2,0,0]=3 1698 B12R1.308 COCN(C)c1ccccc1Br 269982a_100020606079_100000766300 [0,1,0,0,0,0|2,0,0]=3 1699 B12R1.308 COCN(C)c1ccccc1C 2230a_100000219699_100000766300 [0,1,0,0,0,0|2,0,0]=3 1700 B12R1.308 COCN(C)c1ccccc1C 269982a_100000219699_100000766300 [0,1,0,0,0,0|2,0,0]=3 1701 B12R1.308 COCN(C)c1ccccc1Cl 2230a_100000219374_100000766300 [0,1,0,0,0,0|2,0,0]=3 1702 B12R1.308 COCN(C)c1ccccc1Cl 269982a_100000219374_100000766300 [0,1,0,0,0,0|2,0,0]=3 1703 B12R1.308 COCN(C)c1ccccc1F 2230a_100000220357_100000766300 [0,1,0,0,0,0|2,0,0]=3 1704 B12R1.308 COCN(C)c1ccccc1F 269982a_100000220357_100000766300 [0,1,0,0,0,0|2,0,0]=3 1705 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [0,1,0,0,0,0|2,0,0]=3 1706 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,1,0,0,0,0|2,0,0]=3 1707 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,1,0,0,0,0|2,0,0]=3 1708 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,1,0,0,0,0|2,0,1]=4 1709 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,1,0,0,0,0|2,0,1]=4 1710 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,1,0,0,0,0|2,0,1]=4 1711 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,1,0,0,0,0|2,0,1]=4 1712 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,1,0,0,0,0|2,0,1]=4 1713 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,1,0,0,0,0|2,0,1]=4 1714 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,1,0,0,0,0|2,0,1]=4 1715 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,1,0,0,0,0|2,0,1]=4 1716 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,1,0,0,0,0|2,0,1]=4 1717 B12R1.308 CSCN(C)c1ccccc1Br 2230a_100020606079_100011218213 [0,1,0,0,0,0|2,0,0]=3 1718 B12R1.308 CSCN(C)c1ccccc1Br 269982a_100020606079_100011218213 [0,1,0,0,0,0|2,0,0]=3 1719 B12R1.308 CSCN(C)c1ccccc1Br 34a_100020606079_100011218213 [0,1,0,0,0,0|2,0,0]=3 1720 B12R1.308 CSCN(C)c1ccccc1C 2230a_100000219699_100011218213 [0,1,0,0,0,0|2,0,0]=3 1721 B12R1.308 CSCN(C)c1ccccc1C 269982a_100000219699_100011218213 [0,1,0,0,0,0|2,0,0]=3 1722 B12R1.308 CSCN(C)c1ccccc1C 34a_100000219699_100011218213 [0,1,0,0,0,0|2,0,0]=3 1723 B12R1.308 CSCN(C)c1ccccc1Cl 2230a_100000219374_100011218213 [0,1,0,0,0,0|2,0,0]=3 1724 B12R1.308 CSCN(C)c1ccccc1Cl 269982a_100000219374_100011218213 [0,1,0,0,0,0|2,0,0]=3 1725 B12R1.308 CSCN(C)c1ccccc1Cl 34a_100000219374_100011218213 [0,1,0,0,0,0|2,0,0]=3 1726 B12R1.308 CSCN(C)c1ccccc1F 2230a_100000220357_100011218213 [0,1,0,0,0,0|2,0,0]=3 1727 B12R1.308 CSCN(C)c1ccccc1F 269982a_100000220357_100011218213 [0,1,0,0,0,0|2,0,0]=3 1728 B12R1.308 CSCN(C)c1ccccc1F 34a_100000220357_100011218213 [0,1,0,0,0,0|2,0,0]=3 1729 B12R1.308 CSCN(C)c1ccccc1O 269982a_100000033821_100011218213 [0,1,0,0,0,0|2,0,0]=3 1730 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,1,0,0,0,0|2,0,1]=4 1731 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,1,0,0,0,0|2,0,1]=4 1732 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,1,0,0,0,0|3,0,0]=4 1733 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [0,1,0,0,0,0|3,0,0]=4 1734 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [0,1,0,0,0,0|3,0,0]=4 1735 B12R1.308 Cc1ccccc1N(C)CC#N 2230a_100000219699_100011215382 [0,1,0,0,0,0|3,0,0]=4 1736 B12R1.308 Cc1ccccc1N(C)CC#N 269982a_100000219699_100011214920 [0,1,0,0,0,0|3,0,0]=4 1737 B12R1.308 Cc1ccccc1N(C)CC=O 2230a_100000219699_200015260668 [0,1,0,0,0,0|3,0,0]=4 1738 B12R1.308 Cc1ccccc1N(C)CC=O 269982a_100000219699_200015260668 [0,1,0,0,0,0|3,0,0]=4 1739 B12R1.308 Cc1ccccc1N(C)CC=O 34a_100000219699_200009817547 [0,1,0,0,0,0|3,0,0]=4 1740 B12R1.308 Cc1ccccc1N(C)CCF 2230a_100000219699_100011217306 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.308 Cc1ccccc1N(C)CCF 269982a_100000219699_100011217306 [0,1,0,0,0,0|3,0,0]=4 1742 B12R1.308 Cc1ccccc1N(C)CCF 34a_100000219699_100011217306 [0,1,0,0,0,0|3,0,0]=4 1743 B12R1.308 Cc1ccccc1N(C)CCO 2230a_100000219699_100000211926 [0,1,0,0,0,0|3,0,0]=4 1744 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100000219699_100000211926 [0,1,0,0,0,0|3,0,0]=4 1745 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100011233185_200000210301 [0,1,0,0,0,0|3,0,0]=4 1746 B12R1.308 Cc1ccccc1N(C)CCO 34a_100000219699_100000211926 [0,1,0,0,0,0|3,0,0]=4 1747 B12R1.308 Cc1ccccc1N(C)CCO 34a_100011233185_200000210301 [0,1,0,0,0,0|3,0,0]=4 1748 B12R1.308 Cc1ccccc1N([13CH3])CCO 269982a_100011233185_200025704644 [0,1,0,0,0,0|3,0,0]=4 1749 B12R1.308 Cc1ccccc1N([13CH3])CCO 34a_100011233185_200025704644 [0,1,0,0,0,0|3,0,0]=4 1750 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,1,0,0,0,0|1,0,0]=2 1751 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,1,0,0,0,0|1,0,0]=2 1752 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,1,0,0,0,0|1,0,0]=2 1753 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,1,0,0,0,0|2,0,0]=3 1754 B12R1.308 [13CH3]OCC(N)c1ccncc1Cl 34a_200020642286_200025704644 [0,1,0,0,0,0|3,0,0]=4 1755 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,1,0,0,0,0|2,0,0]=3 1756 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,1,0,0,0,0|2,0,0]=3 1757 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,1,0,0,0,0|2,0,1]=4 1758 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,1,0,0,0,0|2,0,1]=4 1759 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,1,0,0,0,0|2,0,1]=4 1760 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,1,0,0,0,0|2,0,1]=4 1761 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,1,0,0,0,0|2,0,1]=4 1762 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,1,0,0,0,0|2,0,1]=4 1763 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,1,0,0,0,0|2,0,1]=4 1764 B10R0.19 C=CC=CC(=O)C(C)CC#N 1458a_100016291481_100009813641 [0,0,1,0,0,0|3,0,0]=4 1765 B10R0.19 C=CC=CC(=O)C(C)CCC 1458a_100016291481_100000766640 [0,0,1,0,0,0|2,0,0]=3 1766 B10R0.19 C=CC=CC(=O)C(C)CCO 1458a_100016291481_100009893172 [0,0,1,0,0,0|3,0,0]=4 1767 B10R0.19 C=CC=CC(=O)C(C)COC 1458a_100016291481_100000765312 [0,0,1,0,0,0|2,0,0]=3 1768 B10R0.19 C=CC=CC(=O)N(C)CCC 1626a_100000747261_100016291481 [0,0,1,0,0,0|3,0,0]=4 1769 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,0|1,0,2]=4 1770 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,0,0,1,0,0|1,0,2]=4 1771 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,0,0,1,0,0|1,0,2]=4 1772 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [0,0,0,1,0,0|1,0,0]=2 1773 B12R2.22 CN1CC(C1)c2ccncc2 269982a_100015185986_200000210301 [0,0,0,1,0,0|1,0,0]=2 1774 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [0,0,0,1,0,0|1,0,0]=2 1775 B12R2.22 [13CH3]N1CC(C1)c2ccncc2 269982a_100015185986_200025704644 [0,0,0,1,0,0|1,0,0]=2 1776 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,0|0,0,0]=1 1777 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,0|0,0,0]=1 1778 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,0|0,0,0]=1 1779 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,0|0,0,0]=1 1780 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,1,0,0|2,0,0]=3 1781 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,1,0,0|2,0,0]=3 1782 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,0,0,1,0,0|1,0,0]=2 1783 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,0,0,1,0,0|1,0,0]=2 1784 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,0,0,1,0,0|3,0,0]=4 1785 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,0,0,1,0,0|3,0,0]=4 1786 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,0,0,1,0,0|1,0,0]=2 1787 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,0,0,1,0,0|1,0,0]=2 1788 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,0,0,1,0,0|2,0,1]=4 1789 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,0,0,1,0,0|1,0,2]=4 1790 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [0,0,0,1,0,0|2,0,0]=3 1791 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [0,0,0,1,0,0|2,0,0]=3 1792 B10R1.11 CC(CO[13CH3])n1cccn1 34a_100011935049_200025704644 [0,0,0,0,1,0|3,0,0]=4 1793 B10R1.11 CCNC(C)c1cc[nH]c1 269862a_100015525214_100000753940 [0,0,0,0,1,0|3,0,0]=4 1794 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,0,0,0,1,0|3,0,0]=4 1795 B10R1.11 CCNC(C)c1cccs1 2230a_100000703493_100000210202 [0,0,0,0,1,0|3,0,0]=4 1796 B10R1.11 CCNC(C)c1cccs1 269862a_100015525214_100000185736 [0,0,0,0,1,0|3,0,0]=4 1797 B10R1.11 CCNC(C)c1ccoc1 2230a_100000690049_100000210202 [0,0,0,0,1,0|3,0,0]=4 1798 B10R1.11 CCNC(C)c1ccsc1 2230a_100000748604_100000210202 [0,0,0,0,1,0|3,0,0]=4 1799 B10R1.11 CCNC(C)c1ccsc1 269862a_100015525214_100000747891 [0,0,0,0,1,0|3,0,0]=4 1800 B10R1.11 CCN[C@H](C)c1ccco1 2230a_100160469435_100000210202 [0,0,0,0,1,0|3,0,0]=4 1801 B10R1.11 CCOC(C)c1ccsc1 34a_100011350980_100000210202 [0,0,0,0,1,0|3,0,0]=4 1802 B10R1.11 CCOC(C)c1ccsc1 7a_100011350980_100000210202 [0,0,0,0,1,0|3,0,0]=4 1803 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,0,0,0,1,0|3,0,0]=4 1804 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,0,0,0,1,0|3,0,0]=4 1805 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,0,0,0,1,0|3,0,0]=4 1806 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,0,0,0,1,0|2,0,1]=4 1807 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,0,0,0,1,0|2,0,1]=4 1808 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,0,0,0,1,0|2,0,1]=4 1809 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,0,0,0,1,0|2,0,1]=4 1810 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,0,0,0,1,0|2,0,1]=4 1811 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,0,0,0,1,0|2,0,1]=4 1812 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,0,0,0,1,0|2,0,1]=4 1813 B10R1.11 CNCC(C)n1cncn1 2230a_106832991635_200015185000 [0,0,0,0,1,0|3,0,0]=4 1814 B10R1.11 CNCC(C)n1cncn1 34a_100102657272_200015185000 [0,0,0,0,1,0|3,0,0]=4 1815 B10R1.11 CNCC(C)n1cncn1 7a_106832991635_200015185000 [0,0,0,0,1,0|3,0,0]=4 1816 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,0,0,0,1,0|2,0,0]=3 1817 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,0,0,0,1,0|2,0,0]=3 1818 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,0,0,0,1,0|2,0,0]=3 1819 B10R1.11 COCC(C)n1cccn1 34a_100011935049_200000210301 [0,0,0,0,1,0|3,0,0]=4 1820 B10R1.11 COCC(N)c1cccs1 34a_100102422791_200000210301 [0,0,0,0,1,0|3,0,0]=4 1821 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,0,0,0,1,0|2,0,0]=3 1822 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,0,0,0,1,0|2,0,0]=3 1823 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,0,0,0,1,0|2,0,0]=3 1824 B10R1.11 [13CH3]OCC(N)c1cccs1 34a_100102422791_200025704644 [0,0,0,0,1,0|3,0,0]=4 1825 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,0,0,0,0,1|2,0,1]=4 1826 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,0,0,0,0,1|2,0,1]=4 1827 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,0,0,0,0,1|2,0,1]=4 1828 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,0,0,0,0,1|2,0,1]=4 1829 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,0,0,0,0,1|2,0,1]=4 1830 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,0,0,0,0,1|2,0,1]=4 1831 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,0,0,0,0,1|2,0,1]=4 1832 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,0,0,0,0,1|2,0,1]=4 1833 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,0,0,0,0,1|2,0,1]=4 1834 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,0,0,0,0,1|2,0,1]=4 1835 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,0,0,0,0,1|1,0,1]=3 1836 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,0,0,0,0,1|1,0,1]=3 1837 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,0,0,0,0,1|2,0,1]=4 1838 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,0,0,0,0,1|2,0,1]=4 1839 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,0,0,0,0,1|2,0,1]=4 1840 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,0,0,0,0,1|2,0,1]=4 1841 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,0,0,0,0,1|2,0,1]=4 1842 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,0,0,0,0,1|2,0,1]=4 1843 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,0,0,0,0,1|2,0,1]=4 1844 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,0,0,0,0,1|2,0,1]=4 1845 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,0,0,0,0,1|2,0,1]=4 1846 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,0,0,0,0,1|2,0,0]=3 1847 B12R1.32 CC(CC#N)Oc1cccnc1 7a_100000210849_100009813641 [0,0,0,0,0,1|3,0,0]=4 1848 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,0,0,0,0,1|2,0,0]=3 1849 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,0,0,0,0,1|2,0,0]=3 1850 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100009813641_100011216584 [0,0,0,0,0,1|3,0,0]=4 1851 B12R1.32 CC(CC#N)Sc1ccccn1 62a_100011216584_100009813641 [0,0,0,0,0,1|3,0,0]=4 1852 B12R1.32 CC(CC#N)Sc1cccnc1 62a_100000210063_100009813641 [0,0,0,0,0,1|3,0,0]=4 1853 B12R1.32 CC(CC#N)Sc1cccnc1 62a_100009813641_100000210063 [0,0,0,0,0,1|3,0,0]=4 1854 B12R1.32 CC(CC#N)Sc1ccncc1 62a_100000728582_100009813641 [0,0,0,0,0,1|3,0,0]=4 1855 B12R1.32 CC(CC#N)Sc1ccncc1 62a_100009813641_100000728582 [0,0,0,0,0,1|3,0,0]=4 1856 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,0,0,0,0,1|2,0,0]=3 1857 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,0,0,0,0,1|2,0,0]=3 1858 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,0,0,0,0,1|2,0,0]=3 1859 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,0,0,0,0,1|3,0,0]=4 1860 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,0,0,0,0,1|3,0,0]=4 1861 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [0,0,0,0,0,1|3,0,0]=4 1862 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,0,0,0,0,1|2,0,0]=3 1863 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,0,0,0,0,1|2,0,0]=3 1864 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,0,0,0,0,1|3,0,0]=4 1865 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,0,0,0,0,1|3,0,0]=4 1866 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,0,0,0,0,1|3,0,0]=4 1867 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,0,0,0,0,1|3,0,0]=4 1868 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [0,0,0,0,0,1|3,0,0]=4 1869 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [0,0,0,0,0,1|3,0,0]=4 1870 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,0,0,0,0,1|0,0,0]=1 1871 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,0,0,0,0,1|0,0,0]=1 1872 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [0,0,0,0,0,1|1,0,0]=2 1873 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,0,0,0,0,1|1,0,0]=2 1874 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,0,0,0,0,1|1,0,0]=2 1875 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,0,0,0,0,1|1,0,0]=2 1876 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,0,0,0,0,1|1,0,0]=2 1877 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,0,0,0,0,1|3,0,0]=4 1878 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,0,0,0,0,1|3,0,0]=4 1879 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,0,0,0,0,1|3,0,0]=4 1880 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,0,0,0,0,1|3,0,0]=4 1881 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,0,0,0,0,1|2,0,1]=4 1882 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,0,0,0,0,1|2,0,1]=4 1883 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,0,0,0,0,1|2,0,1]=4 1884 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,0,0,0,0,1|2,0,1]=4 1885 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,0,0,0,0,1|2,0,1]=4 1886 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,0,0,0,0,1|1,0,0]=2 1887 B12R1.32 CCCC(C)Nc1cccnn1 27a_100000741246_100016991348 [0,0,0,0,0,1|3,0,0]=4 1888 B12R1.32 CCCC(C)Nc1ccncn1 27a_100000741246_100000703185 [0,0,0,0,0,1|3,0,0]=4 1889 B12R1.32 CCCC(C)Nc1cnccn1 27a_100000741246_100000211759 [0,0,0,0,0,1|3,0,0]=4 1890 B12R1.32 CCCC(C)Nc1ncccn1 27a_100000741246_100000211032 [0,0,0,0,0,1|3,0,0]=4 1891 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,0,0,0,0,1|1,0,0]=2 1892 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,0,0,0,0,1|1,0,0]=2 1893 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,0,0,0,0,1|2,0,0]=3 1894 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,0,0,0,0,1|2,0,0]=3 1895 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,0,0,0,0,1|2,0,0]=3 1896 B12R1.32 CCCC(C)Oc1ccnnc1 34a_100015204005_100000766640 [0,0,0,0,0,1|3,0,0]=4 1897 B12R1.32 CCCC(C)Oc1cncnc1 7a_100000754086_100000766640 [0,0,0,0,0,1|3,0,0]=4 1898 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,0,0,0,0,1|1,0,0]=2 1899 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,0,0,0,0,1|1,0,0]=2 1900 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,0,0,0,0,1|2,0,0]=3 1901 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,0,0,0,0,1|2,0,0]=3 1902 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,0,0,0,0,1|2,0,0]=3 1903 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,0,0,0,0,1|2,0,0]=3 1904 B12R1.32 CCCC(C)Sc1cccnn1 62a_100000766640_100016991348 [0,0,0,0,0,1|3,0,0]=4 1905 B12R1.32 CCCC(C)Sc1cccnn1 62a_100016991348_100000766640 [0,0,0,0,0,1|3,0,0]=4 1906 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [0,0,0,0,0,1|2,0,0]=3 1907 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [0,0,0,0,0,1|2,0,0]=3 1908 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000703185_100000766640 [0,0,0,0,0,1|3,0,0]=4 1909 B12R1.32 CCCC(C)Sc1ccncn1 62a_100000766640_100000703185 [0,0,0,0,0,1|3,0,0]=4 1910 B12R1.32 CCCC(C)Sc1ccnnc1 62a_100000732662_100000766640 [0,0,0,0,0,1|3,0,0]=4 1911 B12R1.32 CCCC(C)Sc1ccnnc1 62a_100000766640_100000732662 [0,0,0,0,0,1|3,0,0]=4 1912 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000211759_100000766640 [0,0,0,0,0,1|3,0,0]=4 1913 B12R1.32 CCCC(C)Sc1cnccn1 62a_100000766640_100000211759 [0,0,0,0,0,1|3,0,0]=4 1914 B12R1.32 CCCC(C)Sc1cncnc1 62a_100000766640_100011206942 [0,0,0,0,0,1|3,0,0]=4 1915 B12R1.32 CCCC(C)Sc1cncnc1 62a_100011206942_100000766640 [0,0,0,0,0,1|3,0,0]=4 1916 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000211032_100000766640 [0,0,0,0,0,1|3,0,0]=4 1917 B12R1.32 CCCC(C)Sc1ncccn1 62a_100000766640_100000211032 [0,0,0,0,0,1|3,0,0]=4 1918 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,0,0,0,0,1|2,0,0]=3 1919 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,0,0,0,0,1|2,0,0]=3 1920 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,0,0,0,0,1|2,0,0]=3 1921 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,0,0,0,0,1|2,0,0]=3 1922 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,0,0,0,0,1|2,0,0]=3 1923 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,0,0,0,0,1|2,0,0]=3 1924 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,0,0,0,0,1|2,0,0]=3 1925 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,0,0,0,0,1|3,0,0]=4 1926 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,0,0,0,0,1|3,0,0]=4 1927 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,0,0,0,0,1|3,0,0]=4 1928 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,0,0,0,0,1|3,0,0]=4 1929 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,0,0,0,0,1|3,0,0]=4 1930 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,0,0,0,0,1|3,0,0]=4 1931 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,0,0,0,0,1|3,0,0]=4 1932 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,0,0,0,0,1|3,0,0]=4 1933 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,0,0,0,0,1|3,0,0]=4 1934 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,0,0,0,0,1|3,0,0]=4 1935 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,0,0,0,0,1|3,0,0]=4 1936 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,0,0,0,0,1|3,0,0]=4 1937 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,0,0,0,0,1|3,0,0]=4 1938 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,0,0,0,0,1|3,0,0]=4 1939 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,0,0,0,0,1|3,0,0]=4 1940 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,0,0,0,0,1|3,0,0]=4 1941 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,0,0,0,0,1|3,0,0]=4 1942 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,0,0,0,0,1|3,0,0]=4 1943 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,0,0,0,0,1|3,0,0]=4 1944 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,0,0,0,0,1|2,0,0]=3 1945 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,0,0,0,0,1|2,0,0]=3 1946 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,0,0,0,0,1|3,0,0]=4 1947 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,0,0,0,0,1|3,0,0]=4 1948 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,0,0,0,0,1|3,0,0]=4 1949 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,0,0,0,0,1|3,0,0]=4 1950 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,0,0,0,0,1|3,0,0]=4 1951 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,0,0,0,0,1|3,0,0]=4 1952 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,0,0,0,0,1|3,0,0]=4 1953 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,0,0,0,0,1|3,0,0]=4 1954 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,0,0,0,0,1|3,0,0]=4 1955 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,0,0,0,0,1|3,0,0]=4 1956 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,0,0,0,0,1|2,0,0]=3 1957 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,0,0,0,0,1|2,0,0]=3 1958 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,0,0,0,0,1|2,0,0]=3 1959 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,0,0,0,0,1|2,0,0]=3 1960 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,0,0,0,0,1|2,0,0]=3 1961 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,0,0,0,0,1|3,0,0]=4 1962 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,0,0,0,0,1|3,0,0]=4 1963 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,0,0,0,0,1|3,0,0]=4 1964 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,0,0,0,0,1|3,0,0]=4 1965 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,0,0,0,0,1|3,0,0]=4 1966 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,0,0,0,0,1|3,0,0]=4 1967 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,0,0,0,0,1|3,0,0]=4 1968 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,0,0,0,0,1|3,0,0]=4 1969 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,0,0,0,0,1|3,0,0]=4 1970 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,0,0,0,0,1|3,0,0]=4 1971 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,0,0,0,0,1|3,0,0]=4 1972 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,0,0,0,0,1|3,0,0]=4 1973 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,0,0,0,0,1|3,0,0]=4 1974 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,0,0,0,0,1|3,0,0]=4 1975 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,0,0,0,0,1|3,0,0]=4 1976 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,0,0,0,0,1|1,0,1]=3 1977 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,0,0,0,0,1|1,0,1]=3 1978 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,0,0,0,0,1|1,0,1]=3 1979 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,0,0,0,0,1|1,0,1]=3 1980 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,0,0,0,0,1|1,0,1]=3 1981 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,0,0,0,0,1|2,0,1]=4 1982 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,0,0,0,0,1|2,0,1]=4 1983 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,0,0,0,0,1|2,0,1]=4 1984 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,0,0,0,0,1|2,0,1]=4 1985 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,0,0,0,0,1|1,0,1]=3 1986 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,0,0,0,0,1|1,0,1]=3 1987 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,0,0,0,0,1|1,0,1]=3 1988 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,0,0,0,0,1|0,0,0]=1 1989 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,0,0,0,0,1|0,0,0]=1 1990 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [0,0,0,0,0,1|1,0,0]=2 1991 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,0,0,0,0,1|1,0,0]=2 1992 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,0,0,0,0,1|1,0,0]=2 1993 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,0,0,0,0,1|1,0,0]=2 1994 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,0,0,0,0,1|1,0,0]=2 1995 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,0,0,0,0,1|1,0,1]=3 1996 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,0,0,0,0,1|1,0,1]=3 1997 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,0,0,0,0,1|2,0,1]=4 1998 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,0,0,0,0,1|2,0,1]=4 1999 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,0,0,0,0,1|2,0,1]=4 2000 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,0,0,0,0,1|2,0,1]=4 2001 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,0,0,0,0,1|2,0,1]=4 2002 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,0,0,0,0,1|2,0,1]=4 2003 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,0,0,0,0,1|2,0,1]=4 2004 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,0,0,0,0,1|2,0,1]=4 2005 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,0,0,0,0,1|1,0,0]=2 2006 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,0,0,0,0,1|1,0,0]=2 2007 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,0,0,0,0,1|1,0,0]=2 2008 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,0,0,0,0,1|1,0,0]=2 2009 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,0,0,0,0,1|1,0,0]=2 2010 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,0,0,0,0,1|1,0,0]=2 2011 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,0,0,0,0,1|1,0,0]=2 2012 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [0,0,0,0,0,1|2,0,0]=3 2013 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [0,0,0,0,0,1|2,0,0]=3 2014 B12R1.32 COCC(C)Oc1ccncc1 34a_100000212176_100000765312 [0,0,0,0,0,1|2,0,0]=3 2015 B12R1.32 COCC(C)Oc1ccnnc1 34a_100015204005_100000765312 [0,0,0,0,0,1|3,0,0]=4 2016 B12R1.32 COCC(C)Oc1cncnc1 7a_100000754086_100000765312 [0,0,0,0,0,1|3,0,0]=4 2017 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,0,0,0,0,1|1,0,0]=2 2018 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,0,0,0,0,1|1,0,0]=2 2019 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,0,0,0,0,1|2,0,0]=3 2020 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,0,0,0,0,1|2,0,0]=3 2021 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [0,0,0,0,0,1|2,0,0]=3 2022 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [0,0,0,0,0,1|2,0,0]=3 2023 B12R1.32 COCC(C)Sc1cccnn1 62a_100000765312_100016991348 [0,0,0,0,0,1|3,0,0]=4 2024 B12R1.32 COCC(C)Sc1cccnn1 62a_100016991348_100000765312 [0,0,0,0,0,1|3,0,0]=4 2025 B12R1.32 COCC(C)Sc1ccncc1 62a_100000728582_100000765312 [0,0,0,0,0,1|2,0,0]=3 2026 B12R1.32 COCC(C)Sc1ccncc1 62a_100000765312_100000728582 [0,0,0,0,0,1|2,0,0]=3 2027 B12R1.32 COCC(C)Sc1ccncn1 62a_100000703185_100000765312 [0,0,0,0,0,1|3,0,0]=4 2028 B12R1.32 COCC(C)Sc1ccncn1 62a_100000765312_100000703185 [0,0,0,0,0,1|3,0,0]=4 2029 B12R1.32 COCC(C)Sc1ccnnc1 62a_100000732662_100000765312 [0,0,0,0,0,1|3,0,0]=4 2030 B12R1.32 COCC(C)Sc1ccnnc1 62a_100000765312_100000732662 [0,0,0,0,0,1|3,0,0]=4 2031 B12R1.32 COCC(C)Sc1cnccn1 62a_100000211759_100000765312 [0,0,0,0,0,1|3,0,0]=4 2032 B12R1.32 COCC(C)Sc1cnccn1 62a_100000765312_100000211759 [0,0,0,0,0,1|3,0,0]=4 2033 B12R1.32 COCC(C)Sc1cncnc1 62a_100000765312_100011206942 [0,0,0,0,0,1|3,0,0]=4 2034 B12R1.32 COCC(C)Sc1cncnc1 62a_100011206942_100000765312 [0,0,0,0,0,1|3,0,0]=4 2035 B12R1.32 COCC(C)Sc1ncccn1 62a_100000211032_100000765312 [0,0,0,0,0,1|3,0,0]=4 2036 B12R1.32 COCC(C)Sc1ncccn1 62a_100000765312_100000211032 [0,0,0,0,0,1|3,0,0]=4 2037 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,0,0,0,0,1|2,0,0]=3 2038 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,0,0,0,0,1|2,0,0]=3 2039 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,0,0,0,0,1|2,0,0]=3 2040 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,0,0,0,0,1|3,0,0]=4 2041 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,0,0,0,0,1|3,0,0]=4 2042 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,0,0,0,0,1|3,0,0]=4 2043 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,0,0,0,0,1|3,0,0]=4 2044 B12R1.32 COCN(C)Cc1ccncc1 2230a_100000187231_100000766300 [0,0,0,0,0,1|3,0,0]=4 2045 B12R1.32 COCN(C)Cc1ccncc1 269982a_100000187231_100000766300 [0,0,0,0,0,1|3,0,0]=4 2046 B12R1.32 COC[C@@H](C)Nc1cccnn1 27a_100000764878_100016991348 [0,0,0,0,0,1|3,0,0]=4 2047 B12R1.32 COC[C@@H](C)Nc1ccncn1 27a_100000764878_100000703185 [0,0,0,0,0,1|3,0,0]=4 2048 B12R1.32 COC[C@@H](C)Nc1cnccn1 27a_100000764878_100000211759 [0,0,0,0,0,1|3,0,0]=4 2049 B12R1.32 COC[C@@H](C)Nc1ncccn1 27a_100000764878_100000211032 [0,0,0,0,0,1|3,0,0]=4 2050 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,0,0,0,0,1|2,0,0]=3 2051 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,0,0,0,0,1|2,0,1]=4 2052 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,0,0,0,0,1|2,0,1]=4 2053 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,0,0,0,0,1|2,0,1]=4 2054 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,0,0,0,0,1|2,0,1]=4 2055 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,0,0,0,0,1|2,0,1]=4 2056 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,0,0,0,0,1|2,0,1]=4 2057 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,0,0,0,0,1|2,0,1]=4 2058 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,0,0,0,0,1|2,0,1]=4 2059 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,0,0,0,0,1|2,0,1]=4 2060 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,0,0,0,0,1|2,0,1]=4 2061 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,0,0,0,0,1|2,0,1]=4 2062 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,0,0,0,0,1|2,0,0]=3 2063 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,0,0,0,0,1|2,0,0]=3 2064 B12R1.32 CSCN(C)Cc1ccccn1 2230a_100000207498_100011218213 [0,0,0,0,0,1|3,0,0]=4 2065 B12R1.32 CSCN(C)Cc1ccccn1 269982a_100000207498_100011218213 [0,0,0,0,0,1|3,0,0]=4 2066 B12R1.32 CSCN(C)Cc1cccnc1 2230a_100000184577_100011218213 [0,0,0,0,0,1|3,0,0]=4 2067 B12R1.32 CSCN(C)Cc1cccnc1 269982a_100000184577_100011218213 [0,0,0,0,0,1|3,0,0]=4 2068 B12R1.32 CSCN(C)Cc1ccncc1 2230a_100000187231_100011218213 [0,0,0,0,0,1|3,0,0]=4 2069 B12R1.32 CSCN(C)Cc1ccncc1 269982a_100000187231_100011218213 [0,0,0,0,0,1|3,0,0]=4 2070 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,0,0,0,0,1|2,0,0]=3 2071 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,0,0,0,0,1|2,0,0]=3 2072 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,0,0,0,0,1|3,0,0]=4 2073 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,0,0,0,0,1|3,0,0]=4 2074 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,0,0,0,0,1|3,0,0]=4 2075 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,0,0,0,0,1|1,0,0]=2 2076 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,0,0,0,0,1|2,0,1]=4 2077 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,0,0,0,0,1|2,0,0]=3 2078 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,0,0,0,0,1|2,0,1]=4 2079 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,0,0,0,0,1|2,0,1]=4 2080 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,0,0,0,0,1|2,0,1]=4 2081 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,0,0,0,0,1|2,0,1]=4 2082 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,0,0,0,0,1|2,0,1]=4 2083 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,0,0,0,0,1|2,0,1]=4 2084 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,0,0,0,0,1|2,0,0]=3 2085 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,0,0,0,0,1|2,0,0]=3 2086 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [1,0,1,0,0,0|1,0,0]=3 2087 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [1,0,1,0,0,0|2,0,0]=4 2088 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|2,0,0]=4 2089 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|2,0,0]=4 2090 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,1,0,0,0|2,0,0]=4 2091 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|0,0,2]=4 2092 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,1]=4 2093 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 2094 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 2095 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|1,0,0]=3 2096 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 2097 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 2098 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|1,0,0]=3 2099 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,1]=4 2100 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 2101 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 2102 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 2103 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 2104 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 2105 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 2106 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 2107 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 2108 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 2109 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 2110 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 2111 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 2112 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 2113 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 2114 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 2115 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|0,0,0]=2 2116 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|0,0,0]=2 2117 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|0,0,0]=2 2118 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|0,0,0]=2 2119 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|0,0,0]=2 2120 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|0,0,0]=2 2121 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|0,0,0]=2 2122 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|1,0,0]=3 2123 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 2124 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|1,0,0]=3 2125 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|1,0,0]=3 2126 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 2127 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|1,0,0]=3 2128 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|1,0,0]=3 2129 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|1,0,0]=3 2130 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|1,0,0]=3 2131 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|1,0,0]=3 2132 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [2,0,0,0,0,0|2,0,0]=4 2133 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 2134 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [2,0,0,0,0,0|2,0,0]=4 2135 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 2136 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|1,0,0]=3 2137 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|1,0,0]=3 2138 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|1,0,0]=3 2139 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [2,0,0,0,0,0|2,0,0]=4 2140 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 2141 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [2,0,0,0,0,0|2,0,0]=4 2142 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [2,0,0,0,0,0|2,0,0]=4 2143 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 2144 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [2,0,0,0,0,0|2,0,0]=4 2145 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [2,0,0,0,0,0|2,0,0]=4 2146 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [2,0,0,0,0,0|2,0,0]=4 2147 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [2,0,0,0,0,0|2,0,0]=4 2148 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [2,0,0,0,0,0|2,0,0]=4 2149 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 2150 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [2,0,0,0,0,0|2,0,0]=4 2151 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [2,0,0,0,0,0|2,0,0]=4 2152 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 2153 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 2154 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 2155 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 2156 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 2157 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 2158 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 2159 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 2160 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 2161 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 2162 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 2163 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 2164 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 2165 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 2166 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 2167 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 2168 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 2169 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 2170 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 2171 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|0,0,0]=2 2172 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|0,0,0]=2 2173 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [2,0,0,0,0,0|2,0,0]=4 2174 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [2,0,0,0,0,0|2,0,0]=4 2175 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 2176 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 2177 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 2178 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 2179 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 2180 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 2181 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 2182 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 2183 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 2184 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 2185 B11R0.5 C=CC=CC(=O)CC(C)CCC 1458a_100016291481_100011216630 [0,1,1,0,0,0|1,0,1]=4 2186 B11R0.5 C=CC=CC(=O)NC(C)CCC 1626a_100000741246_100016291481 [0,1,1,0,0,0|2,0,0]=4 2187 B11R0.5 C=CC=CC(=O)N[C@H](C)COC 1626a_100000764878_100016291481 [0,1,1,0,0,0|2,0,0]=4 2188 B11R0.155 C/C=C/C=CC(=O)C(C)CCC 1458a_100000185730_100000766640 [0,1,1,0,0,0|1,0,1]=4 2189 B11R0.155 C/C=C/C=CC(=O)C(C)COC 1458a_100000185730_100000765312 [0,1,1,0,0,0|1,0,1]=4 2190 B11R0.11 C=CC=CC(=O)C(C)CCCC 1458a_100016291481_200011215066 [0,1,1,0,0,0|2,0,0]=4 2191 B11R0.68 C=CC=CC(=O)C(C)CC(C)C 1458a_100016291481_100000731052 [0,1,1,0,0,0|2,0,0]=4 2192 B11R0.69 C=CC=CC(=O)C(CC)CCC 1458a_100016291481_100011219200 [0,1,1,0,0,0|2,0,0]=4 2193 B11R0.73 C=CC=CC(=O)C(C)C(=O)NC 1458a_100016291481_100000209862 [0,1,1,0,0,0|1,0,1]=4 2194 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [1,1,0,0,0,0|0,0,0]=2 2195 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [1,1,0,0,0,0|1,0,0]=3 2196 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [1,1,0,0,0,0|1,0,0]=3 2197 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,1,0,0,0,0|1,0,0]=3 2198 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [1,1,0,0,0,0|2,0,0]=4 2199 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [1,1,0,0,0,0|1,0,0]=3 2200 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [1,1,0,0,0,0|1,0,0]=3 2201 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [1,1,0,0,0,0|0,0,0]=2 2202 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [1,1,0,0,0,0|0,0,0]=2 2203 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [1,1,0,0,0,0|1,0,0]=3 2204 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [1,1,0,0,0,0|1,0,0]=3 2205 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [1,1,0,0,0,0|1,0,0]=3 2206 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 2207 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,1,0,0,0,0|1,0,0]=3 2210 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [1,1,0,0,0,0|2,0,0]=4 2211 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [1,1,0,0,0,0|1,0,0]=3 2212 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [1,1,0,0,0,0|1,0,0]=3 2213 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [1,1,0,0,0,0|2,0,0]=4 2214 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,1,0,0,0,0|0,0,2]=4 2216 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,1,0,0,0,0|0,0,2]=4 2217 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,1,0,0,0,0|0,0,2]=4 2218 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,1,0,0,0,0|0,0,2]=4 2219 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [1,1,0,0,0,0|0,0,1]=3 2220 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,1,0,0,0,0|0,0,2]=4 2221 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,1,0,0,0,0|0,0,2]=4 2222 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,1,0,0,0,0|0,0,2]=4 2223 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,1,0,0,0,0|0,0,2]=4 2224 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [1,1,0,0,0,0|0,0,2]=4 2225 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [1,1,0,0,0,0|0,0,2]=4 2226 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [1,1,0,0,0,0|0,0,2]=4 2227 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [1,1,0,0,0,0|0,0,2]=4 2228 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,1,0,0,0,0|0,0,0]=2 2229 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,1,0,0,0,0|0,0,0]=2 2230 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [1,1,0,0,0,0|1,0,0]=3 2231 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [1,1,0,0,0,0|1,0,0]=3 2232 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [1,1,0,0,0,0|1,0,0]=3 2233 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [1,1,0,0,0,0|1,0,0]=3 2234 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [1,1,0,0,0,0|1,0,0]=3 2235 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [1,1,0,0,0,0|2,0,0]=4 2236 B11R1.12 CCC(NC)c1ncccn1 269862a_106832991636_200011350823 [1,1,0,0,0,0|2,0,0]=4 2237 B11R1.12 CCC(NC)c1ncccn1 270004a_106832991635_200011350823 [1,1,0,0,0,0|2,0,0]=4 2238 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,1,0,0,0,0|0,0,0]=2 2239 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [1,1,0,0,0,0|1,0,0]=3 2240 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [1,1,0,0,0,0|1,0,0]=3 2241 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,1,0,0,0,0|0,0,0]=2 2243 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,1,0,0,0,0|0,0,0]=2 2244 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,1,0,0,0,0|0,0,0]=2 2245 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,1,0,0,0,0|0,0,0]=2 2246 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [1,1,0,0,0,0|1,0,0]=3 2247 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [1,1,0,0,0,0|1,0,0]=3 2248 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [1,1,0,0,0,0|1,0,0]=3 2249 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [1,1,0,0,0,0|1,0,0]=3 2250 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [1,1,0,0,0,0|1,0,0]=3 2251 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [1,1,0,0,0,0|1,0,0]=3 2252 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,1,0,0,0,0|0,0,0]=2 2253 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|0,0,0]=2 2254 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [1,1,0,0,0,0|1,0,0]=3 2255 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,1,0,0,0,0|0,0,2]=4 2256 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,1,0,0,0,0|1,0,0]=3 2257 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,1,0,0,0,0|0,0,0]=2 2258 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 2259 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 2260 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [1,1,0,0,0,0|1,0,0]=3 2261 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,1,0,0,0,0|0,0,0]=2 2262 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|0,0,0]=2 2263 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [1,1,0,0,0,0|1,0,0]=3 2264 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,1,0,0,0,0|0,0,2]=4 2265 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,1,0,0,0,0|1,0,0]=3 2266 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,1,0,0,0,0|0,0,0]=2 2267 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 2268 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 2269 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [1,1,0,0,0,0|0,0,2]=4 2270 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [1,1,0,0,0,0|1,0,0]=3 2271 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2272 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|1,0,0]=3 2273 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|1,0,0]=3 2274 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|1,0,0]=3 2275 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,0]=3 2276 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [1,1,0,0,0,0|2,0,0]=4 2282 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,1,0,0,0,0|1,0,0]=3 2283 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,1,0,0,0,0|1,0,0]=3 2284 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|1,0,0]=3 2285 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|1,0,0]=3 2286 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2287 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,1,0,0,0,0|1,0,0]=3 2288 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|1,0,1]=4 2289 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|1,0,1]=4 2290 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|1,0,1]=4 2291 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|1,0,1]=4 2292 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|1,0,1]=4 2293 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|1,0,1]=4 2294 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|1,0,1]=4 2295 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|0,0,0]=2 2296 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,0]=3 2297 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|1,0,0]=3 2298 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|1,0,0]=3 2299 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|1,0,0]=3 2300 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|1,0,0]=3 2301 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|1,0,0]=3 2302 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|1,0,0]=3 2303 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|1,0,0]=3 2304 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 2305 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|1,0,0]=3 2306 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 2307 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|1,0,0]=3 2308 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|1,0,0]=3 2309 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|1,0,0]=3 2310 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|1,0,0]=3 2311 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|1,0,0]=3 2312 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|1,0,0]=3 2313 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|1,0,0]=3 2314 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|1,0,0]=3 2315 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|1,0,0]=3 2316 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|1,0,0]=3 2317 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|1,0,0]=3 2318 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|1,0,0]=3 2319 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|1,0,0]=3 2320 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|1,0,0]=3 2321 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|1,0,0]=3 2322 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|1,0,0]=3 2323 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|1,0,0]=3 2324 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2325 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|1,0,0]=3 2326 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2327 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|1,0,0]=3 2328 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2329 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|1,0,0]=3 2330 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|1,0,0]=3 2331 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|1,0,0]=3 2332 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 2333 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 2334 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|1,0,0]=3 2335 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|1,0,0]=3 2336 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|1,0,0]=3 2337 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|1,0,0]=3 2338 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|1,0,0]=3 2339 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|1,0,0]=3 2340 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|1,0,0]=3 2341 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2342 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2343 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2344 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,0]=3 2345 B11R1.22 CN(CF)c1ccc(cc1)Br 269982a_100000219623_100015361967 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.22 CN(CF)c1ccc(cc1)Br 34a_100000219623_100015361967 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.22 CN(CF)c1ccc(cc1)Cl 269982a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.22 CN(CF)c1ccc(cc1)Cl 34a_100020629279_100015361967 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.22 CN(CF)c1ccc(cc1)F 269982a_100000219829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.22 CN(CF)c1ccc(cc1)F 34a_100000219829_100015361967 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.22 CN(CF)c1ccc(cc1)I 269982a_100000743151_100015361967 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.22 CN(CF)c1ccc(cc1)I 34a_100000743151_100015361967 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|1,0,1]=4 2356 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|1,0,1]=4 2357 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|1,0,1]=4 2358 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|1,0,1]=4 2359 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,1]=4 2360 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 2361 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 2362 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,1]=4 2363 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|1,0,1]=4 2364 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|1,0,1]=4 2365 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|1,0,1]=4 2366 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|1,0,1]=4 2367 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|1,0,1]=4 2368 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|1,0,1]=4 2369 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|1,0,1]=4 2370 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|1,0,1]=4 2371 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|1,0,1]=4 2372 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|1,0,1]=4 2373 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|1,0,1]=4 2374 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|1,0,1]=4 2375 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 2376 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,1]=4 2377 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,1]=4 2378 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [1,1,0,0,0,0|1,0,0]=3 2379 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,1,0,0,0,0|0,0,0]=2 2380 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,1,0,0,0,0|0,0,0]=2 2381 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,1,0,0,0,0|0,0,0]=2 2382 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|0,0,0]=2 2383 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|0,0,0]=2 2384 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|0,0,0]=2 2385 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|0,0,0]=2 2386 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|0,0,0]=2 2387 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|0,0,0]=2 2388 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|0,0,0]=2 2389 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,1,0,0,0,0|0,0,0]=2 2390 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,1,0,0,0,0|0,0,0]=2 2391 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,1,0,0,0,0|0,0,0]=2 2392 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,1,0,0,0,0|0,0,0]=2 2393 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,1,0,0,0,0|0,0,0]=2 2394 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|0,0,0]=2 2395 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [1,1,0,0,0,0|1,0,0]=3 2396 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [1,1,0,0,0,0|1,0,0]=3 2397 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [1,1,0,0,0,0|1,0,0]=3 2398 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [1,1,0,0,0,0|1,0,0]=3 2399 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [1,1,0,0,0,0|1,0,0]=3 2400 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [1,1,0,0,0,0|1,0,0]=3 2401 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [1,1,0,0,0,0|1,0,0]=3 2402 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [1,1,0,0,0,0|1,0,0]=3 2403 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [1,1,0,0,0,0|1,0,0]=3 2404 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [1,1,0,0,0,0|1,0,0]=3 2405 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [1,1,0,0,0,0|1,0,0]=3 2406 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [1,1,0,0,0,0|1,0,0]=3 2407 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [1,1,0,0,0,0|1,0,0]=3 2408 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [1,1,0,0,0,0|1,0,0]=3 2409 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [1,1,0,0,0,0|1,0,0]=3 2410 B11R1.22 CNC(C)c1cnc(cn1)Cl 269862a_106832991636_100009883172 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.22 CNC(C)c1cnc(cn1)Cl 270004a_106832991635_100009883172 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.22 CNC(C)c1ncc(cn1)Br 269862a_106832991636_100010077182 [1,1,0,0,0,0|2,0,0]=4 2413 B11R1.22 CNC(C)c1ncc(cn1)Br 270004a_106832991635_100010077182 [1,1,0,0,0,0|2,0,0]=4 2414 B11R1.22 CNC(C)c1ncc(cn1)F 269862a_106832991636_200009841639 [1,1,0,0,0,0|2,0,0]=4 2415 B11R1.22 CNC(C)c1ncc(cn1)F 270004a_106832991635_200009841639 [1,1,0,0,0,0|2,0,0]=4 2416 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,1,0,0,0,0|0,0,0]=2 2417 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,1,0,0,0,0|0,0,0]=2 2418 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,1,0,0,0,0|0,0,0]=2 2419 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|0,0,0]=2 2420 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [1,1,0,0,0,0|1,0,0]=3 2421 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,1,0,0,0,0|0,0,0]=2 2422 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|0,0,0]=2 2423 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|0,0,0]=2 2424 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|0,0,0]=2 2425 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|0,0,0]=2 2426 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2427 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|1,0,0]=3 2428 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|1,0,0]=3 2429 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|1,0,0]=3 2430 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|1,0,0]=3 2431 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|1,0,0]=3 2432 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|1,0,0]=3 2433 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,0]=3 2434 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|1,0,0]=3 2435 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [1,1,0,0,0,0|2,0,0]=4 2437 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [1,1,0,0,0,0|2,0,0]=4 2438 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [1,1,0,0,0,0|2,0,0]=4 2439 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2440 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [1,1,0,0,0,0|2,0,0]=4 2441 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2442 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [1,1,0,0,0,0|2,0,0]=4 2443 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|1,0,0]=3 2444 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|1,0,0]=3 2445 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|1,0,0]=3 2446 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|1,0,0]=3 2447 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,1,0,0,0,0|1,0,0]=3 2448 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,1,0,0,0,0|1,0,0]=3 2449 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|1,0,0]=3 2450 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|1,0,0]=3 2451 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|1,0,0]=3 2452 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|1,0,0]=3 2453 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,1,0,0,0,0|1,0,0]=3 2454 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,1,0,0,0,0|1,0,0]=3 2455 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,1,0,0,0,0|0,0,0]=2 2456 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|0,0,0]=2 2457 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|0,0,0]=2 2458 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,1,0,0,0,0|0,0,0]=2 2459 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,1,0,0,0,0|0,0,0]=2 2460 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,1,0,0,0,0|0,0,0]=2 2461 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|0,0,0]=2 2462 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [1,1,0,0,0,0|1,0,0]=3 2463 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|1,0,0]=3 2464 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|1,0,0]=3 2465 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|1,0,0]=3 2466 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|1,0,0]=3 2467 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 2468 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [1,1,0,0,0,0|2,0,0]=4 2469 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|0,0,0]=2 2470 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|0,0,0]=2 2471 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|1,0,0]=3 2472 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|1,0,0]=3 2473 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [1,1,0,0,0,0|1,0,0]=3 2474 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [1,1,0,0,0,0|1,0,0]=3 2475 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2476 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [1,1,0,0,0,0|2,0,0]=4 2477 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|2,0,0]=4 2478 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,1]=4 2479 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,0]=3 2480 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|2,0,0]=4 2481 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2483 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2484 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2485 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [1,1,0,0,0,0|0,0,0]=2 2486 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [1,1,0,0,0,0|0,0,0]=2 2487 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [1,1,0,0,0,0|0,0,0]=2 2488 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [1,1,0,0,0,0|0,0,0]=2 2489 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [1,1,0,0,0,0|1,0,0]=3 2490 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [1,1,0,0,0,0|2,0,0]=4 2491 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2492 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2493 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [1,1,0,0,0,0|1,0,0]=3 2494 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [1,1,0,0,0,0|1,0,0]=3 2495 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [1,1,0,0,0,0|1,0,0]=3 2496 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [1,1,0,0,0,0|1,0,0]=3 2497 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,1,0,0,0,0|1,0,0]=3 2498 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,1,0,0,0,0|1,0,0]=3 2499 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [1,1,0,0,0,0|2,0,0]=4 2500 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [1,1,0,0,0,0|2,0,0]=4 2501 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [1,1,0,0,0,0|2,0,0]=4 2502 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|1,0,1]=4 2503 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|1,0,1]=4 2504 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|1,0,1]=4 2505 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|1,0,1]=4 2506 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|1,0,1]=4 2507 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|1,0,1]=4 2508 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|1,0,1]=4 2509 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|1,0,0]=3 2510 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [1,1,0,0,0,0|1,0,0]=3 2511 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [1,1,0,0,0,0|1,0,0]=3 2512 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [1,1,0,0,0,0|1,0,0]=3 2513 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [1,1,0,0,0,0|1,0,0]=3 2514 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [1,1,0,0,0,0|1,0,0]=3 2515 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [1,1,0,0,0,0|1,0,0]=3 2516 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [1,1,0,0,0,0|1,0,0]=3 2517 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [1,1,0,0,0,0|1,0,0]=3 2518 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [1,1,0,0,0,0|1,0,0]=3 2519 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [1,1,0,0,0,0|1,0,0]=3 2520 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [1,1,0,0,0,0|1,0,0]=3 2521 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [1,1,0,0,0,0|1,0,0]=3 2522 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [1,1,0,0,0,0|1,0,0]=3 2523 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [1,1,0,0,0,0|1,0,0]=3 2524 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [1,1,0,0,0,0|1,0,0]=3 2525 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [1,1,0,0,0,0|1,0,0]=3 2526 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [1,1,0,0,0,0|1,0,0]=3 2527 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [1,1,0,0,0,0|1,0,0]=3 2528 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [1,1,0,0,0,0|1,0,0]=3 2529 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [1,1,0,0,0,0|1,0,0]=3 2530 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [1,1,0,0,0,0|1,0,0]=3 2531 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [1,1,0,0,0,0|1,0,0]=3 2532 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [1,1,0,0,0,0|1,0,0]=3 2533 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [1,1,0,0,0,0|1,0,0]=3 2534 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [1,1,0,0,0,0|1,0,0]=3 2535 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [1,1,0,0,0,0|1,0,0]=3 2536 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [1,1,0,0,0,0|1,0,0]=3 2537 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [1,1,0,0,0,0|1,0,0]=3 2538 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [1,1,0,0,0,0|1,0,0]=3 2539 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [1,1,0,0,0,0|1,0,0]=3 2540 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [1,1,0,0,0,0|1,0,0]=3 2541 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [1,1,0,0,0,0|1,0,0]=3 2542 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [1,1,0,0,0,0|1,0,0]=3 2543 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [1,1,0,0,0,0|1,0,0]=3 2544 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [1,1,0,0,0,0|1,0,0]=3 2545 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [1,1,0,0,0,0|1,0,0]=3 2546 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [1,1,0,0,0,0|1,0,0]=3 2547 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [1,1,0,0,0,0|1,0,0]=3 2548 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,1,0,0,0,0|1,0,0]=3 2549 B11R1.23 CN(CF)c1cccc(c1)Br 269982a_100000219648_100015361967 [1,1,0,0,0,0|2,0,0]=4 2550 B11R1.23 CN(CF)c1cccc(c1)Br 34a_100000219648_100015361967 [1,1,0,0,0,0|2,0,0]=4 2551 B11R1.23 CN(CF)c1cccc(c1)Cl 269982a_100000220044_100015361967 [1,1,0,0,0,0|2,0,0]=4 2552 B11R1.23 CN(CF)c1cccc(c1)Cl 34a_100000220044_100015361967 [1,1,0,0,0,0|2,0,0]=4 2553 B11R1.23 CN(CF)c1cccc(c1)F 269982a_100020633736_100015361967 [1,1,0,0,0,0|2,0,0]=4 2554 B11R1.23 CN(CF)c1cccc(c1)F 34a_100020633736_100015361967 [1,1,0,0,0,0|2,0,0]=4 2555 B11R1.23 CN(CF)c1cccc(c1)I 269982a_100000221217_100015361967 [1,1,0,0,0,0|2,0,0]=4 2556 B11R1.23 CN(CF)c1cccc(c1)I 34a_100000221217_100015361967 [1,1,0,0,0,0|2,0,0]=4 2557 B11R1.23 CN(CF)c1cccc(c1)O 269982a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 2558 B11R1.23 CN(CF)c1cccc(c1)O 34a_100000756613_100015361967 [1,1,0,0,0,0|2,0,0]=4 2559 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|1,0,1]=4 2560 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|1,0,1]=4 2561 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|1,0,1]=4 2562 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|1,0,1]=4 2563 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|1,0,1]=4 2564 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|1,0,1]=4 2565 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|1,0,1]=4 2566 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|1,0,1]=4 2567 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|1,0,1]=4 2568 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|1,0,1]=4 2569 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|1,0,1]=4 2570 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|1,0,1]=4 2571 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|1,0,1]=4 2572 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|1,0,1]=4 2573 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|1,0,1]=4 2574 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|1,0,1]=4 2575 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|1,0,1]=4 2576 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|1,0,1]=4 2577 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|1,0,1]=4 2578 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|1,0,1]=4 2579 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|1,0,1]=4 2580 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|1,0,1]=4 2581 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|1,0,1]=4 2582 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [1,1,0,0,0,0|1,0,0]=3 2583 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [1,1,0,0,0,0|1,0,0]=3 2584 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [1,1,0,0,0,0|1,0,0]=3 2585 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [1,1,0,0,0,0|1,0,0]=3 2586 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [1,1,0,0,0,0|1,0,0]=3 2587 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [1,1,0,0,0,0|1,0,0]=3 2588 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [1,1,0,0,0,0|1,0,0]=3 2589 B11R1.23 CNC(C)c1cc(ncn1)C 269862a_106832991636_100000092262 [1,1,0,0,0,0|2,0,0]=4 2590 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [1,1,0,0,0,0|0,0,0]=2 2591 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [1,1,0,0,0,0|0,0,0]=2 2592 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [1,1,0,0,0,0|0,0,0]=2 2593 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [1,1,0,0,0,0|0,0,0]=2 2594 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [1,1,0,0,0,0|0,0,0]=2 2595 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [1,1,0,0,0,0|0,0,0]=2 2596 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [1,1,0,0,0,0|0,0,0]=2 2597 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [1,1,0,0,0,0|0,0,0]=2 2598 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [1,1,0,0,0,0|0,0,0]=2 2599 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [1,1,0,0,0,0|0,0,0]=2 2600 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [1,1,0,0,0,0|0,0,0]=2 2601 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [1,1,0,0,0,0|1,0,0]=3 2602 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [1,1,0,0,0,0|1,0,0]=3 2603 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [1,1,0,0,0,0|1,0,0]=3 2604 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [1,1,0,0,0,0|1,0,0]=3 2605 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [1,1,0,0,0,0|1,0,0]=3 2606 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [1,1,0,0,0,0|1,0,0]=3 2607 B11R1.23 CNC(C)c1ccnc(c1)Br 269862a_106832991636_100010177706 [1,1,0,0,0,0|1,0,0]=3 2608 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [1,1,0,0,0,0|1,0,0]=3 2609 B11R1.23 CNC(C)c1ccnc(c1)Cl 269862a_106832991636_100000685609 [1,1,0,0,0,0|1,0,0]=3 2610 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [1,1,0,0,0,0|1,0,0]=3 2611 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [1,1,0,0,0,0|1,0,0]=3 2612 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [1,1,0,0,0,0|1,0,0]=3 2613 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [1,1,0,0,0,0|1,0,0]=3 2614 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [1,1,0,0,0,0|1,0,0]=3 2615 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [1,1,0,0,0,0|0,0,0]=2 2616 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [1,1,0,0,0,0|0,0,0]=2 2617 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [1,1,0,0,0,0|0,0,0]=2 2618 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [1,1,0,0,0,0|0,0,0]=2 2619 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [1,1,0,0,0,0|1,0,0]=3 2620 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [1,1,0,0,0,0|2,0,0]=4 2621 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [1,1,0,0,0,0|1,0,0]=3 2622 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [1,1,0,0,0,0|1,0,0]=3 2623 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,1,0,0,0,0|1,0,0]=3 2624 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,1,0,0,0,0|1,0,0]=3 2625 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [1,1,0,0,0,0|1,0,0]=3 2626 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [1,1,0,0,0,0|1,0,0]=3 2627 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [1,1,0,0,0,0|1,0,0]=3 2628 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [1,1,0,0,0,0|1,0,0]=3 2629 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,1,0,0,0,0|1,0,0]=3 2630 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,1,0,0,0,0|1,0,0]=3 2631 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [1,1,0,0,0,0|2,0,0]=4 2632 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [1,1,0,0,0,0|2,0,0]=4 2633 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [1,1,0,0,0,0|2,0,0]=4 2634 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [1,1,0,0,0,0|2,0,0]=4 2635 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [1,1,0,0,0,0|1,0,0]=3 2637 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [1,1,0,0,0,0|1,0,0]=3 2638 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [1,1,0,0,0,0|0,0,0]=2 2639 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [1,1,0,0,0,0|0,0,0]=2 2640 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [1,1,0,0,0,0|1,0,0]=3 2641 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [1,1,0,0,0,0|1,0,0]=3 2642 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [1,1,0,0,0,0|1,0,0]=3 2643 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [1,1,0,0,0,0|1,0,0]=3 2644 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [1,1,0,0,0,0|1,0,0]=3 2645 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,1,0,0,0,0|1,0,0]=3 2646 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,1,0,0,0,0|1,0,0]=3 2647 B11R1.23 Cc1cccc(c1)N(C)CF 269982a_100000219674_100015361967 [1,1,0,0,0,0|2,0,0]=4 2648 B11R1.23 Cc1cccc(c1)N(C)CF 34a_100000219674_100015361967 [1,1,0,0,0,0|2,0,0]=4 2649 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [1,1,0,0,0,0|0,0,0]=2 2650 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [1,1,0,0,0,0|0,0,0]=2 2651 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [1,1,0,0,0,0|1,0,0]=3 2652 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [1,1,0,0,0,0|2,0,0]=4 2653 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [1,1,0,0,0,0|2,0,0]=4 2654 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [1,1,0,0,0,0|1,0,0]=3 2655 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,1,0,0,0,0|2,0,0]=4 2656 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|1,0,1]=4 2657 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|0,0,2]=4 2658 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|0,0,1]=3 2659 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|1,0,1]=4 2660 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,1]=4 2661 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|1,0,1]=4 2662 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|1,0,1]=4 2663 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|1,0,1]=4 2664 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|0,0,1]=3 2665 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,1]=4 2666 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|1,0,1]=4 2667 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|1,0,1]=4 2668 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,1,0,0,0,0|1,0,0]=3 2669 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 2670 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,1,0,0,0,0|1,0,0]=3 2671 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 2672 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,1,0,0,0,0|1,0,0]=3 2673 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 2674 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 2675 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 2676 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 2677 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 2678 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 2679 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,1,0,0,0,0|0,0,0]=2 2680 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,1,0,0,0,0|0,0,0]=2 2681 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,1,0,0,0,0|0,0,0]=2 2682 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,1,0,0,0,0|0,0,0]=2 2683 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,1,0,0,0,0|0,0,0]=2 2684 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,1,0,0,0,0|0,0,0]=2 2685 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [1,1,0,0,0,0|1,0,0]=3 2686 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [1,1,0,0,0,0|1,0,0]=3 2687 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [1,1,0,0,0,0|1,0,0]=3 2688 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [1,1,0,0,0,0|1,0,0]=3 2689 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [1,1,0,0,0,0|1,0,0]=3 2690 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [1,1,0,0,0,0|1,0,0]=3 2691 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [1,1,0,0,0,0|1,0,0]=3 2692 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [1,1,0,0,0,0|1,0,0]=3 2693 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [1,1,0,0,0,0|1,0,0]=3 2694 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [1,1,0,0,0,0|1,0,0]=3 2695 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [1,1,0,0,0,0|1,0,0]=3 2696 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [1,1,0,0,0,0|1,0,0]=3 2697 B11R1.36 CC(c1cnccn1)N(C)C 2230a_100102631434_200000703233 [1,1,0,0,0,0|2,0,0]=4 2698 B11R1.36 CC(c1cnccn1)N(C)C 269982a_100102631434_200000703233 [1,1,0,0,0,0|2,0,0]=4 2699 B11R1.36 CC(c1ncccn1)N(C)C 270004a_100102631434_100011350828 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 2701 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 2702 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 2703 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 2704 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|0,0,1]=3 2705 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,1]=4 2706 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,1]=4 2707 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [1,1,0,0,0,0|0,0,2]=4 2708 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [1,1,0,0,0,0|0,0,0]=2 2709 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [1,1,0,0,0,0|0,0,0]=2 2710 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [1,1,0,0,0,0|0,0,0]=2 2711 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [1,1,0,0,0,0|0,0,0]=2 2712 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [1,1,0,0,0,0|0,0,0]=2 2713 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [1,1,0,0,0,0|1,0,0]=3 2714 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [1,1,0,0,0,0|1,0,0]=3 2715 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|1,0,0]=3 2716 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|1,0,0]=3 2717 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|1,0,0]=3 2718 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|1,0,0]=3 2719 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|1,0,0]=3 2720 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|1,0,0]=3 2721 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|1,0,0]=3 2722 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 2723 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [1,1,0,0,0,0|2,0,0]=4 2724 B11R1.222 CC(O[13CH3])c1ccncc1F 34a_100012180158_200025704644 [1,1,0,0,0,0|2,0,0]=4 2725 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [1,1,0,0,0,0|1,0,0]=3 2726 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [1,1,0,0,0,0|1,0,0]=3 2727 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [1,1,0,0,0,0|1,0,0]=3 2728 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [1,1,0,0,0,0|1,0,0]=3 2729 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|1,0,1]=4 2730 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|1,0,1]=4 2731 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|1,0,1]=4 2732 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|1,0,1]=4 2733 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|1,0,1]=4 2734 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|1,0,1]=4 2735 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|1,0,1]=4 2736 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|1,0,0]=3 2737 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|1,0,0]=3 2738 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|1,0,0]=3 2739 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|1,0,0]=3 2740 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|1,0,0]=3 2741 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|1,0,0]=3 2742 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|1,0,0]=3 2743 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|1,0,0]=3 2744 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|1,0,0]=3 2745 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|1,0,0]=3 2746 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|1,0,0]=3 2747 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|1,0,0]=3 2748 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|1,0,0]=3 2749 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|1,0,0]=3 2750 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|1,0,0]=3 2751 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|1,0,0]=3 2752 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|1,0,0]=3 2753 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|1,0,0]=3 2754 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|1,0,0]=3 2755 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|1,0,0]=3 2756 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|1,0,0]=3 2757 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|1,0,0]=3 2758 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|1,0,0]=3 2759 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|1,0,0]=3 2760 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|1,0,0]=3 2761 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|1,0,0]=3 2762 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|1,0,0]=3 2763 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|1,0,0]=3 2764 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|1,0,0]=3 2765 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|1,0,0]=3 2766 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|1,0,0]=3 2767 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|1,0,0]=3 2768 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|1,0,0]=3 2769 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|1,0,0]=3 2770 B11R1.222 CN(CF)c1ccccc1Br 269982a_100020606079_100015361967 [1,1,0,0,0,0|2,0,0]=4 2771 B11R1.222 CN(CF)c1ccccc1Br 34a_100020606079_100015361967 [1,1,0,0,0,0|2,0,0]=4 2772 B11R1.222 CN(CF)c1ccccc1Cl 269982a_100000219374_100015361967 [1,1,0,0,0,0|2,0,0]=4 2773 B11R1.222 CN(CF)c1ccccc1Cl 34a_100000219374_100015361967 [1,1,0,0,0,0|2,0,0]=4 2774 B11R1.222 CN(CF)c1ccccc1F 269982a_100000220357_100015361967 [1,1,0,0,0,0|2,0,0]=4 2775 B11R1.222 CN(CF)c1ccccc1F 34a_100000220357_100015361967 [1,1,0,0,0,0|2,0,0]=4 2776 B11R1.222 CN(CF)c1ccccc1F 38a_100000220357_100015361967 [1,1,0,0,0,0|2,0,0]=4 2777 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [1,1,0,0,0,0|2,0,0]=4 2778 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|1,0,1]=4 2779 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|1,0,1]=4 2780 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|1,0,1]=4 2781 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|1,0,1]=4 2782 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|1,0,1]=4 2783 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 2784 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 2785 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|1,0,1]=4 2786 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|1,0,1]=4 2787 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|1,0,1]=4 2788 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|1,0,1]=4 2789 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|1,0,1]=4 2790 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|1,0,1]=4 2791 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|1,0,1]=4 2792 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|1,0,1]=4 2793 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|1,0,1]=4 2794 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|1,0,1]=4 2795 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|1,0,1]=4 2796 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|1,0,1]=4 2797 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|1,0,1]=4 2798 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|1,0,1]=4 2799 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|1,0,1]=4 2800 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2801 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2802 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|1,0,1]=4 2803 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [1,1,0,0,0,0|0,0,0]=2 2804 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [1,1,0,0,0,0|0,0,0]=2 2805 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|0,0,0]=2 2806 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|0,0,0]=2 2807 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|0,0,0]=2 2808 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [1,1,0,0,0,0|0,0,0]=2 2809 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [1,1,0,0,0,0|0,0,0]=2 2810 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [1,1,0,0,0,0|0,0,0]=2 2811 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [1,1,0,0,0,0|0,0,0]=2 2812 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [1,1,0,0,0,0|0,0,0]=2 2813 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [1,1,0,0,0,0|0,0,0]=2 2814 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [1,1,0,0,0,0|0,0,0]=2 2815 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [1,1,0,0,0,0|0,0,0]=2 2816 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [1,1,0,0,0,0|0,0,0]=2 2817 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [1,1,0,0,0,0|0,0,0]=2 2818 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [1,1,0,0,0,0|0,0,0]=2 2819 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [1,1,0,0,0,0|0,0,0]=2 2820 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|0,0,0]=2 2821 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [1,1,0,0,0,0|1,0,0]=3 2822 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [1,1,0,0,0,0|1,0,0]=3 2823 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [1,1,0,0,0,0|1,0,0]=3 2824 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [1,1,0,0,0,0|1,0,0]=3 2825 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [1,1,0,0,0,0|1,0,0]=3 2826 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [1,1,0,0,0,0|1,0,0]=3 2827 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [1,1,0,0,0,0|1,0,0]=3 2828 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [1,1,0,0,0,0|1,0,0]=3 2829 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [1,1,0,0,0,0|1,0,0]=3 2830 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [1,1,0,0,0,0|1,0,0]=3 2831 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [1,1,0,0,0,0|1,0,0]=3 2832 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [1,1,0,0,0,0|1,0,0]=3 2833 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [1,1,0,0,0,0|1,0,0]=3 2834 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [1,1,0,0,0,0|1,0,0]=3 2835 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|0,0,0]=2 2838 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|1,0,0]=3 2839 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|1,0,0]=3 2840 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2841 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2842 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|1,0,0]=3 2843 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|1,0,0]=3 2844 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|1,0,0]=3 2845 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|1,0,0]=3 2846 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|1,0,0]=3 2847 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|1,0,0]=3 2848 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [1,1,0,0,0,0|2,0,0]=4 2850 B11R1.222 COC(C)c1ccncc1F 34a_100012180158_200000210301 [1,1,0,0,0,0|2,0,0]=4 2851 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [1,1,0,0,0,0|2,0,0]=4 2852 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [1,1,0,0,0,0|2,0,0]=4 2853 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [1,1,0,0,0,0|1,0,0]=3 2854 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [1,1,0,0,0,0|1,0,0]=3 2855 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [1,1,0,0,0,0|1,0,0]=3 2856 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [1,1,0,0,0,0|1,0,0]=3 2857 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|0,0,0]=2 2858 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [1,1,0,0,0,0|2,0,0]=4 2859 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|0,0,0]=2 2860 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|0,0,0]=2 2861 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|1,0,0]=3 2862 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|1,0,0]=3 2863 B11R1.222 Cc1ccccc1N(C)CF 269982a_100000219699_100015361967 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.222 Cc1ccccc1N(C)CF 34a_100000219699_100015361967 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [1,1,0,0,0,0|1,0,0]=3 2866 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|1,0,0]=3 2867 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|2,0,0]=4 2868 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|2,0,0]=4 2869 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|2,0,0]=4 2870 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,0]=3 2871 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,0]=3 2872 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,0]=3 2873 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,0]=3 2874 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,0]=3 2875 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,0]=3 2876 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,0]=3 2877 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|2,0,0]=4 2878 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|2,0,0]=4 2879 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|2,0,0]=4 2880 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|2,0,0]=4 2881 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|2,0,0]=4 2888 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 2889 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 2890 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|2,0,0]=4 2891 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 2892 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 2893 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|2,0,0]=4 2894 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 2895 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 2896 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 2897 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 2898 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 2899 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 2900 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 2928 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 2929 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 2930 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2931 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|2,0,0]=4 2932 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 2933 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2934 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 2935 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 2936 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|2,0,0]=4 2937 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 2938 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 2939 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|2,0,0]=4 2940 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|2,0,0]=4 2941 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2942 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2943 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|2,0,0]=4 2944 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|2,0,0]=4 2945 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2946 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|2,0,0]=4 2947 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2948 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|2,0,0]=4 2949 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2950 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2951 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|2,0,0]=4 2952 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2953 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2957 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|2,0,0]=4 2958 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2959 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 2960 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|2,0,0]=4 2961 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|2,0,0]=4 2962 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|2,0,0]=4 2963 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|2,0,0]=4 2964 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|2,0,0]=4 2965 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|2,0,0]=4 2966 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|2,0,0]=4 2967 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|2,0,0]=4 2968 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|2,0,0]=4 2969 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|2,0,0]=4 2970 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|2,0,0]=4 2971 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|0,0,0]=2 2972 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|0,0,0]=2 2973 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|0,0,0]=2 2974 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|0,0,0]=2 2975 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|0,0,0]=2 2976 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 2977 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 2978 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 2979 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|0,0,0]=2 2980 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 2981 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|0,0,0]=2 2982 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|0,0,0]=2 2983 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|0,0,0]=2 2984 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|0,0,0]=2 2985 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|0,0,0]=2 2986 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|0,0,0]=2 2987 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|0,0,0]=2 2988 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|0,0,0]=2 2989 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|0,0,0]=2 2990 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|0,0,0]=2 2991 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 2992 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|0,0,0]=2 2993 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,0]=2 2994 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 2995 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 2996 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|1,0,0]=3 2997 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 2998 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 2999 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|1,0,0]=3 3000 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 3001 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 3002 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|1,0,0]=3 3003 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 3004 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 3005 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|1,0,0]=3 3006 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 3007 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 3008 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 3009 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 3010 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|1,0,0]=3 3011 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3012 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,1,0,0,0,0|2,0,0]=4 3013 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 3014 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 3015 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,1,0,0,0,0|2,0,0]=4 3016 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,1,0,0,0,0|2,0,0]=4 3017 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|2,0,0]=4 3018 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,1,0,0,0,0|2,0,0]=4 3019 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,1,0,0,0,0|2,0,0]=4 3020 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|2,0,0]=4 3021 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|2,0,0]=4 3022 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,1,0,0,0,0|2,0,0]=4 3023 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,1,0,0,0,0|2,0,0]=4 3024 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,1,0,0,0,0|2,0,0]=4 3025 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,1,0,0,0,0|2,0,0]=4 3026 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,1,0,0,0,0|2,0,0]=4 3027 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,1,0,0,0,0|2,0,0]=4 3028 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|2,0,0]=4 3029 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|1,0,0]=3 3030 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|1,0,0]=3 3031 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|1,0,0]=3 3032 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|1,0,0]=3 3033 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|1,0,0]=3 3034 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|1,0,0]=3 3035 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|1,0,0]=3 3036 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|1,0,0]=3 3037 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|1,0,0]=3 3038 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|1,0,0]=3 3039 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 3040 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 3041 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|2,0,0]=4 3042 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 3043 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 3044 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [1,1,0,0,0,0|2,0,0]=4 3045 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 3046 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 3047 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,1,0,0,0,0|2,0,0]=4 3048 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|2,0,0]=4 3049 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,1,0,0,0,0|2,0,0]=4 3050 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,1,0,0,0,0|2,0,0]=4 3051 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,1,0,0,0,0|2,0,0]=4 3052 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 3053 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [1,1,0,0,0,0|2,0,0]=4 3054 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [1,1,0,0,0,0|2,0,0]=4 3055 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|2,0,0]=4 3056 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [1,1,0,0,0,0|2,0,0]=4 3059 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [1,1,0,0,0,0|2,0,0]=4 3060 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [1,1,0,0,0,0|2,0,0]=4 3061 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 3062 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [1,1,0,0,0,0|2,0,0]=4 3063 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|2,0,0]=4 3064 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 3065 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 3066 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 3067 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 3068 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|1,0,0]=3 3069 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|1,0,0]=3 3070 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,1,0,0,0,0|2,0,0]=4 3071 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|2,0,0]=4 3072 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|2,0,0]=4 3073 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|2,0,0]=4 3074 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|2,0,0]=4 3075 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|0,0,0]=2 3076 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|0,0,0]=2 3077 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|0,0,0]=2 3078 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|0,0,0]=2 3079 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|0,0,0]=2 3080 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|0,0,0]=2 3081 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,0]=2 3082 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 3083 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 3084 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 3085 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 3086 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 3087 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 3088 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 3089 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 3090 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 3091 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 3092 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 3093 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 3094 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|1,0,0]=3 3095 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|1,0,0]=3 3096 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|1,0,0]=3 3097 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|1,0,0]=3 3098 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|1,0,0]=3 3099 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|1,0,0]=3 3100 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|1,0,0]=3 3101 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|1,0,0]=3 3102 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,1,0,0,0,0|2,0,0]=4 3103 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [1,1,0,0,0,0|2,0,0]=4 3104 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,1,0,0,0,0|2,0,0]=4 3105 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|2,0,0]=4 3106 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [1,1,0,0,0,0|2,0,0]=4 3107 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|1,0,0]=3 3108 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,0]=3 3109 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|1,0,0]=3 3110 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|1,0,0]=3 3111 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|1,0,0]=3 3112 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,0]=3 3113 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|2,0,0]=4 3114 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|2,0,0]=4 3115 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|2,0,0]=4 3116 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|2,0,0]=4 3124 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [1,1,0,0,0,0|2,0,0]=4 3125 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|2,0,0]=4 3126 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [1,1,0,0,0,0|2,0,0]=4 3127 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [1,1,0,0,0,0|2,0,0]=4 3128 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [1,1,0,0,0,0|2,0,0]=4 3129 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|2,0,0]=4 3130 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|2,0,0]=4 3131 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|2,0,0]=4 3132 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|2,0,0]=4 3133 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|2,0,0]=4 3134 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|2,0,0]=4 3135 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 3136 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 3137 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 3138 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 3139 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 3140 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 3142 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 3143 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 3144 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 3145 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3146 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3147 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 3148 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 3149 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3150 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3151 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3152 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|2,0,0]=4 3154 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|2,0,0]=4 3155 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|2,0,0]=4 3158 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|2,0,0]=4 3159 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|2,0,0]=4 3162 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 3163 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|2,0,0]=4 3164 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 3168 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|2,0,0]=4 3169 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 3171 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 3172 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|2,0,0]=4 3173 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 3174 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|2,0,0]=4 3175 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 3176 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 3177 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 3179 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 3180 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 3181 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|2,0,0]=4 3182 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 3183 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 3191 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 3192 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 3193 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 3194 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 3200 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 3201 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|2,0,0]=4 3209 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|2,0,0]=4 3210 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|2,0,0]=4 3211 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|2,0,0]=4 3212 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|2,0,0]=4 3213 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|2,0,0]=4 3214 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|0,0,0]=2 3217 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|0,0,0]=2 3218 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|0,0,0]=2 3219 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|0,0,0]=2 3220 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|0,0,0]=2 3221 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|0,0,0]=2 3222 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|0,0,0]=2 3223 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|0,0,0]=2 3224 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|0,0,0]=2 3225 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|0,0,0]=2 3226 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|0,0,0]=2 3227 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|0,0,0]=2 3228 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|0,0,0]=2 3229 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|0,0,0]=2 3230 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|0,0,0]=2 3231 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|0,0,0]=2 3232 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|0,0,0]=2 3233 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|0,0,0]=2 3234 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|0,0,0]=2 3235 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|0,0,0]=2 3236 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|0,0,0]=2 3237 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|0,0,0]=2 3238 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|0,0,0]=2 3239 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|0,0,0]=2 3240 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [1,1,0,0,0,0|1,0,0]=3 3241 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 3242 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|1,0,0]=3 3243 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 3244 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 3245 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|1,0,0]=3 3246 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 3247 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 3248 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|1,0,0]=3 3249 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 3250 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 3251 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|1,0,0]=3 3252 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 3253 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 3254 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 3255 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|1,0,0]=3 3256 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|1,0,0]=3 3257 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [1,1,0,0,0,0|2,0,0]=4 3266 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|1,0,0]=3 3273 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|1,0,0]=3 3274 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3275 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|1,0,0]=3 3276 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|1,0,0]=3 3277 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|1,0,0]=3 3278 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|1,0,0]=3 3279 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|1,0,0]=3 3280 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|1,0,0]=3 3281 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|1,0,0]=3 3282 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 3283 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [1,1,0,0,0,0|2,0,0]=4 3284 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [1,1,0,0,0,0|2,0,0]=4 3285 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [1,1,0,0,0,0|2,0,0]=4 3286 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [1,1,0,0,0,0|2,0,0]=4 3287 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 3288 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [1,1,0,0,0,0|2,0,0]=4 3289 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 3290 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [1,1,0,0,0,0|2,0,0]=4 3291 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [1,1,0,0,0,0|2,0,0]=4 3292 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 3293 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [1,1,0,0,0,0|2,0,0]=4 3295 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [1,1,0,0,0,0|2,0,0]=4 3296 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [1,1,0,0,0,0|2,0,0]=4 3297 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [1,1,0,0,0,0|2,0,0]=4 3298 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [1,1,0,0,0,0|2,0,0]=4 3299 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [1,1,0,0,0,0|2,0,0]=4 3300 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [1,1,0,0,0,0|2,0,0]=4 3301 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [1,1,0,0,0,0|2,0,0]=4 3302 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 3303 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [1,1,0,0,0,0|2,0,0]=4 3304 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 3305 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [1,1,0,0,0,0|2,0,0]=4 3306 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|0,0,0]=2 3307 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|0,0,0]=2 3308 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 3309 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 3310 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3311 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|1,0,0]=3 3312 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3313 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3314 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|0,0,0]=2 3317 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|0,0,0]=2 3318 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|0,0,0]=2 3319 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|0,0,0]=2 3320 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|0,0,0]=2 3321 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|0,0,0]=2 3322 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|0,0,0]=2 3323 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [1,1,0,0,0,0|1,0,0]=3 3324 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 3325 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 3326 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 3327 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 3328 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 3329 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 3330 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 3331 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 3332 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|1,0,0]=3 3333 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|1,0,0]=3 3334 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|1,0,0]=3 3335 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|1,0,0]=3 3336 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|1,0,0]=3 3337 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|1,0,0]=3 3338 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|1,0,0]=3 3339 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|1,0,0]=3 3340 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|1,0,0]=3 3341 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|2,0,0]=4 3342 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|2,0,0]=4 3343 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|2,0,0]=4 3344 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|2,0,0]=4 3345 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|2,0,0]=4 3346 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|2,0,0]=4 3350 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,0]=3 3351 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,0]=3 3352 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,0]=3 3353 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,0]=3 3354 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,0]=3 3355 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,0]=3 3356 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,0]=3 3357 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,0]=3 3358 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|2,0,0]=4 3360 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|2,0,0]=4 3361 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|2,0,0]=4 3362 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|2,0,0]=4 3363 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|2,0,0]=4 3364 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|2,0,0]=4 3365 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|2,0,0]=4 3366 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|2,0,0]=4 3367 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|2,0,0]=4 3368 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|2,0,0]=4 3369 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|2,0,0]=4 3370 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|2,0,0]=4 3371 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|2,0,0]=4 3372 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|2,0,0]=4 3373 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 3374 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 3375 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 3376 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 3377 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 3378 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 3379 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 3380 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 3381 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 3382 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 3383 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 3384 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 3385 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 3387 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 3388 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 3389 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 3390 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 3391 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|2,0,0]=4 3392 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|2,0,0]=4 3393 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|2,0,0]=4 3394 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|2,0,0]=4 3395 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|2,0,0]=4 3396 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|2,0,0]=4 3397 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|2,0,0]=4 3398 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|2,0,0]=4 3400 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 3401 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|2,0,0]=4 3402 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|2,0,0]=4 3403 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|2,0,0]=4 3404 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|2,0,0]=4 3405 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|2,0,0]=4 3406 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 3407 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 3408 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|2,0,0]=4 3409 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 3410 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 3411 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 3412 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 3413 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|2,0,0]=4 3414 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 3415 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 3416 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 3417 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 3428 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 3431 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 3432 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3433 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|2,0,0]=4 3434 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|2,0,0]=4 3436 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3437 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3438 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|2,0,0]=4 3439 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3440 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 3441 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|2,0,0]=4 3442 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 3443 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 3444 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|2,0,0]=4 3445 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 3446 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 3447 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|2,0,0]=4 3448 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 3449 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3450 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|2,0,0]=4 3451 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3452 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|2,0,0]=4 3453 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|2,0,0]=4 3454 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|2,0,0]=4 3455 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|2,0,0]=4 3456 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|2,0,0]=4 3457 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|2,0,0]=4 3458 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3459 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|2,0,0]=4 3460 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|2,0,0]=4 3461 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|2,0,0]=4 3462 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|2,0,0]=4 3464 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|2,0,0]=4 3465 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|0,0,0]=2 3468 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|0,0,0]=2 3469 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|0,0,0]=2 3470 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|0,0,0]=2 3471 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|0,0,0]=2 3472 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|0,0,0]=2 3473 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|0,0,0]=2 3474 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|0,0,0]=2 3475 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|0,0,0]=2 3476 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|0,0,0]=2 3477 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|0,0,0]=2 3478 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|0,0,0]=2 3479 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|0,0,0]=2 3480 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|0,0,0]=2 3481 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|0,0,0]=2 3482 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|0,0,0]=2 3483 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|0,0,0]=2 3484 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|0,0,0]=2 3485 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|0,0,0]=2 3486 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|0,0,0]=2 3487 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|0,0,0]=2 3488 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|0,0,0]=2 3489 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 3490 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 3491 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 3492 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|1,0,0]=3 3493 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 3494 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 3495 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|1,0,0]=3 3496 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 3497 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 3498 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|1,0,0]=3 3499 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 3500 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 3501 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|1,0,0]=3 3502 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 3503 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|1,0,0]=3 3504 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 3505 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 3506 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|2,0,0]=4 3508 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [1,1,0,0,0,0|2,0,0]=4 3509 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [1,1,0,0,0,0|2,0,0]=4 3510 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,1,0,0,0,0|2,0,0]=4 3511 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,1,0,0,0,0|2,0,0]=4 3512 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [1,1,0,0,0,0|2,0,0]=4 3513 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [1,1,0,0,0,0|2,0,0]=4 3514 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [1,1,0,0,0,0|2,0,0]=4 3515 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [1,1,0,0,0,0|2,0,0]=4 3516 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [1,1,0,0,0,0|2,0,0]=4 3517 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [1,1,0,0,0,0|2,0,0]=4 3518 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [1,1,0,0,0,0|2,0,0]=4 3519 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [1,1,0,0,0,0|2,0,0]=4 3520 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [1,1,0,0,0,0|2,0,0]=4 3521 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|1,0,0]=3 3522 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|1,0,0]=3 3523 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|1,0,0]=3 3524 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|1,0,0]=3 3525 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|1,0,0]=3 3526 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|1,0,0]=3 3527 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|1,0,0]=3 3528 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|1,0,0]=3 3529 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 3530 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 3531 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 3532 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [1,1,0,0,0,0|2,0,0]=4 3533 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [1,1,0,0,0,0|2,0,0]=4 3534 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [1,1,0,0,0,0|2,0,0]=4 3535 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 3536 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,1,0,0,0,0|2,0,0]=4 3537 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,1,0,0,0,0|2,0,0]=4 3538 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,1,0,0,0,0|2,0,0]=4 3539 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,1,0,0,0,0|2,0,0]=4 3540 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,1,0,0,0,0|2,0,0]=4 3541 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 3542 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [1,1,0,0,0,0|2,0,0]=4 3543 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [1,1,0,0,0,0|2,0,0]=4 3544 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [1,1,0,0,0,0|2,0,0]=4 3545 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [1,1,0,0,0,0|2,0,0]=4 3546 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [1,1,0,0,0,0|2,0,0]=4 3547 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [1,1,0,0,0,0|2,0,0]=4 3548 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [1,1,0,0,0,0|2,0,0]=4 3549 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [1,1,0,0,0,0|2,0,0]=4 3550 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 3551 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [1,1,0,0,0,0|2,0,0]=4 3552 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [1,1,0,0,0,0|2,0,0]=4 3553 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [1,1,0,0,0,0|2,0,0]=4 3554 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [1,1,0,0,0,0|2,0,0]=4 3555 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|0,0,0]=2 3556 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|0,0,0]=2 3557 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 3558 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 3559 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|1,0,0]=3 3560 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|1,0,0]=3 3561 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 3562 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 3563 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,1,0,0,0,0|2,0,0]=4 3564 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|2,0,0]=4 3565 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|2,0,0]=4 3566 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|0,0,0]=2 3567 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|0,0,0]=2 3568 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|0,0,0]=2 3569 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|0,0,0]=2 3570 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|0,0,0]=2 3571 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|0,0,0]=2 3572 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|0,0,0]=2 3573 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|0,0,0]=2 3574 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 3575 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 3576 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 3577 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 3578 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 3579 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 3580 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|1,0,0]=3 3581 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 3582 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 3583 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|1,0,0]=3 3584 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|1,0,0]=3 3585 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|1,0,0]=3 3586 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|1,0,0]=3 3587 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|1,0,0]=3 3588 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|1,0,0]=3 3589 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 3590 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,1,0,0,0,0|1,0,1]=4 3591 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3592 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3593 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,1,0,0,0,0|1,0,1]=4 3594 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,1,0,0,0,0|1,0,1]=4 3595 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,1,0,0,0,0|1,0,1]=4 3596 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,1,0,0,0,0|1,0,1]=4 3597 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,1,0,0,0,0|1,0,1]=4 3598 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|1,0,1]=4 3599 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|1,0,1]=4 3600 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|1,0,1]=4 3601 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,1,0,0,0,0|1,0,1]=4 3602 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|1,0,1]=4 3603 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 3604 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 3605 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|1,0,1]=4 3606 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|1,0,1]=4 3607 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|1,0,1]=4 3608 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 3609 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 3610 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|1,0,1]=4 3611 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|1,0,1]=4 3612 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,1,0,0,0,0|1,0,1]=4 3613 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,1,0,0,0,0|1,0,1]=4 3614 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,1,0,0,0,0|1,0,1]=4 3615 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,1,0,0,0,0|1,0,1]=4 3616 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 3617 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|1,0,1]=4 3618 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 3619 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,1,0,0,0,0|1,0,1]=4 3620 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,1,0,0,0,0|1,0,1]=4 3621 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [1,1,0,0,0,0|1,0,1]=4 3622 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 3623 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 3624 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [1,1,0,0,0,0|1,0,1]=4 3625 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [1,1,0,0,0,0|1,0,1]=4 3626 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|1,0,1]=4 3627 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 3628 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 3629 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|1,0,1]=4 3630 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|1,0,1]=4 3631 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,1,0,0,0,0|1,0,1]=4 3632 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 3633 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|1,0,0]=3 3634 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,0]=3 3635 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,0]=3 3636 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,1,0,0,0,0|2,0,0]=4 3637 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,1,0,0,0,0|2,0,0]=4 3638 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,1,0,0,0,0|2,0,0]=4 3639 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,0,0]=3 3640 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,0,0]=3 3641 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,1,0,0,0,0|2,0,0]=4 3643 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,1,0,0,0,0|2,0,0]=4 3644 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,1,0,0,0,0|2,0,0]=4 3645 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,1,0,0,0,0|2,0,0]=4 3646 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,1,0,0,0,0|2,0,0]=4 3647 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 3648 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 3649 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 3650 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 3651 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 3652 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 3653 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,0]=3 3657 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 3658 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 3659 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|2,0,0]=4 3660 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|1,0,0]=3 3662 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|1,0,0]=3 3663 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,1,0,0,0,0|2,0,0]=4 3664 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,1,0,0,0,0|2,0,0]=4 3665 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,1,0,0,0,0|2,0,0]=4 3668 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,1,0,0,0,0|2,0,0]=4 3669 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 3670 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|0,0,0]=2 3671 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 3672 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,1,0,0,0,0|1,0,0]=3 3673 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,1,0,0,0,0|1,0,0]=3 3674 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,1,0,0,0,0|1,0,0]=3 3675 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,1,0,0,0,0|1,0,0]=3 3676 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|1,0,0]=3 3677 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,1,0,0,0,0|1,0,1]=4 3678 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 3679 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|1,0,0]=3 3680 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 3681 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|2,0,0]=4 3682 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|2,0,0]=4 3683 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|2,0,0]=4 3684 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|2,0,0]=4 3685 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|2,0,0]=4 3686 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|1,0,0]=3 3687 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|1,0,0]=3 3688 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,1,0,0,0,0|2,0,0]=4 3689 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,1,0,0,0,0|2,0,0]=4 3690 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,1,0,0,0,0|2,0,0]=4 3691 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,1,0,0,0,0|2,0,0]=4 3692 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [1,1,0,0,0,0|2,0,0]=4 3693 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [1,1,0,0,0,0|2,0,0]=4 3694 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|2,0,0]=4 3695 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|2,0,0]=4 3696 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|0,0,1]=3 3697 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|0,0,1]=3 3698 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|0,0,1]=3 3699 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|0,0,1]=3 3700 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|0,0,1]=3 3701 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,1,0,0,0,0|0,0,1]=3 3702 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,1,0,0,0,0|0,0,1]=3 3703 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,1,0,0,0,0|0,0,1]=3 3704 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,1,0,0,0,0|0,0,1]=3 3705 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|0,0,1]=3 3706 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 3707 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 3708 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 3709 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|0,0,0]=2 3710 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 3711 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 3712 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 3713 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,1,0,0,0,0|1,0,0]=3 3714 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|0,0,0]=2 3715 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|0,0,0]=2 3716 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|0,0,0]=2 3717 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|0,0,0]=2 3718 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|0,0,0]=2 3719 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|0,0,0]=2 3720 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [1,1,0,0,0,0|1,0,0]=3 3721 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3722 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|0,0,0]=2 3723 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|0,0,0]=2 3724 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|0,0,0]=2 3725 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|0,0,0]=2 3726 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|0,0,0]=2 3727 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|0,0,0]=2 3728 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|0,0,0]=2 3729 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|0,0,0]=2 3730 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|1,0,1]=4 3731 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|1,0,1]=4 3732 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 3733 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|1,0,1]=4 3734 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 3735 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|1,0,1]=4 3736 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 3737 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|1,0,0]=3 3738 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 3739 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|2,0,0]=4 3740 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|2,0,0]=4 3741 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|1,0,0]=3 3743 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 3744 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 3746 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|1,0,0]=3 3747 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|1,0,0]=3 3748 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 3749 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|1,0,0]=3 3750 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|2,0,0]=4 3751 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|2,0,0]=4 3752 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|2,0,0]=4 3753 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|1,0,0]=3 3754 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|1,0,0]=3 3755 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|1,0,0]=3 3756 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|1,0,0]=3 3757 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,1,0,0,0,0|2,0,0]=4 3758 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,1,0,0,0,0|2,0,0]=4 3759 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,1,0,0,0,0|2,0,0]=4 3761 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,1,0,0,0,0|2,0,0]=4 3762 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,1,0,0,0,0|2,0,0]=4 3763 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,1,0,0,0,0|2,0,0]=4 3764 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|1,0,0]=3 3765 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|1,0,0]=3 3766 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|1,0,0]=3 3767 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|1,0,0]=3 3768 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|1,0,0]=3 3769 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,1,0,0,0,0|2,0,0]=4 3771 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,1,0,0,0,0|2,0,0]=4 3772 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,1,0,0,0,0|2,0,0]=4 3773 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,1,0,0,0,0|2,0,0]=4 3774 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,1,0,0,0,0|2,0,0]=4 3775 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|1,0,1]=4 3776 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|1,0,1]=4 3777 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,1,0,0,0,0|1,0,1]=4 3778 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|1,0,0]=3 3779 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|1,0,0]=3 3780 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|1,0,0]=3 3781 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 3782 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|1,0,0]=3 3783 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|1,0,0]=3 3784 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 3785 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 3786 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 3787 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [1,1,0,0,0,0|2,0,0]=4 3788 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|1,0,0]=3 3789 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|1,0,0]=3 3790 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|1,0,0]=3 3791 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|1,0,0]=3 3792 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [1,1,0,0,0,0|2,0,0]=4 3793 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [1,1,0,0,0,0|2,0,0]=4 3794 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [1,1,0,0,0,0|2,0,0]=4 3795 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [1,1,0,0,0,0|2,0,0]=4 3796 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [1,1,0,0,0,0|2,0,0]=4 3797 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [1,1,0,0,0,0|2,0,0]=4 3798 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 3799 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 3800 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|1,0,0]=3 3801 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|1,0,0]=3 3802 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|1,0,0]=3 3803 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|1,0,0]=3 3804 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|1,0,0]=3 3805 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|1,0,0]=3 3806 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|1,0,0]=3 3807 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [1,1,0,0,0,0|2,0,0]=4 3808 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [1,1,0,0,0,0|2,0,0]=4 3809 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,1,0,0,0,0|2,0,0]=4 3810 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,1,0,0,0,0|2,0,0]=4 3811 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [1,1,0,0,0,0|2,0,0]=4 3812 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [1,1,0,0,0,0|2,0,0]=4 3813 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|2,0,0]=4 3814 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 3815 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 3816 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|2,0,0]=4 3817 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|2,0,0]=4 3818 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 3819 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|2,0,0]=4 3820 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 3823 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|2,0,0]=4 3824 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|0,0,0]=2 3826 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 3827 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 3828 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,1,0,0,0,0|2,0,0]=4 3829 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,1,0,0,0,0|2,0,0]=4 3830 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,1,0,0,0,0|2,0,0]=4 3831 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|1,0,0]=3 3832 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|1,0,0]=3 3833 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [1,1,0,0,0,0|2,0,0]=4 3834 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [1,1,0,0,0,0|2,0,0]=4 3835 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [1,1,0,0,0,0|2,0,0]=4 3839 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,1,0,0,0,0|2,0,0]=4 3841 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|2,0,0]=4 3842 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,1,0,0,0,0|2,0,0]=4 3843 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,1,0,0,0,0|2,0,0]=4 3844 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,1,0,0,0,0|2,0,0]=4 3845 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|2,0,0]=4 3846 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,1,0,0,0,0|2,0,0]=4 3847 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,1,0,0,0,0|2,0,0]=4 3848 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|2,0,0]=4 3849 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|2,0,0]=4 3850 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|2,0,0]=4 3851 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|2,0,0]=4 3852 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|2,0,0]=4 3853 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|2,0,0]=4 3854 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|2,0,0]=4 3855 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|2,0,0]=4 3856 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|2,0,0]=4 3857 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|2,0,0]=4 3858 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|2,0,0]=4 3859 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|2,0,0]=4 3860 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 3861 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|2,0,0]=4 3863 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 3864 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|2,0,0]=4 3866 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 3867 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 3868 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|2,0,0]=4 3869 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 3870 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|0,0,1]=3 3871 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|0,0,1]=3 3872 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,1,0,0,0,0|0,0,1]=3 3873 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 3874 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 3875 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 3876 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 3877 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,1,0,0,0,0|1,0,0]=3 3878 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|0,0,0]=2 3879 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|0,0,0]=2 3880 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [1,1,0,0,0,0|1,0,0]=3 3881 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3882 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|0,0,0]=2 3883 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|1,0,1]=4 3884 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 3885 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 3886 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 3887 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 3888 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|2,0,0]=4 3889 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|2,0,0]=4 3890 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|2,0,0]=4 3891 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 3892 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3893 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 3894 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 3895 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|1,0,0]=3 3896 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|1,0,1]=4 3898 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|1,0,1]=4 3899 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,1,0,0,0,0|1,0,1]=4 3900 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|1,0,0]=3 3901 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|1,0,0]=3 3902 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|1,0,0]=3 3903 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|1,0,0]=3 3904 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|1,0,0]=3 3905 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|1,0,0]=3 3906 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|1,0,0]=3 3907 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|1,0,0]=3 3908 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|1,0,0]=3 3909 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|1,0,0]=3 3910 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 3911 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|1,0,0]=3 3912 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|1,0,0]=3 3913 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|1,0,0]=3 3914 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [1,1,0,0,0,0|1,0,0]=3 3915 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [1,1,0,0,0,0|1,0,0]=3 3916 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,1]=4 3918 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|2,0,0]=4 3919 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|2,0,0]=4 3920 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|2,0,0]=4 3921 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|2,0,0]=4 3922 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|2,0,0]=4 3923 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|2,0,0]=4 3924 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 3925 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|2,0,0]=4 3926 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|2,0,0]=4 3927 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 3928 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|2,0,0]=4 3929 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 3930 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 3931 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [1,1,0,0,0,0|1,0,1]=4 3932 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [1,1,0,0,0,0|1,0,1]=4 3933 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [1,1,0,0,0,0|1,0,1]=4 3934 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [1,1,0,0,0,0|1,0,1]=4 3935 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [1,1,0,0,0,0|1,0,1]=4 3936 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [1,1,0,0,0,0|1,0,1]=4 3937 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [1,1,0,0,0,0|1,0,1]=4 3938 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [1,1,0,0,0,0|1,0,1]=4 3939 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [1,1,0,0,0,0|1,0,1]=4 3940 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,1,0,0,0,0|1,0,1]=4 3941 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [1,1,0,0,0,0|1,0,0]=3 3942 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|0,0,0]=2 3943 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|0,0,0]=2 3944 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [1,1,0,0,0,0|1,0,0]=3 3945 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [1,1,0,0,0,0|1,0,0]=3 3946 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [1,1,0,0,0,0|1,0,0]=3 3947 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [1,1,0,0,0,0|1,0,0]=3 3948 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [1,1,0,0,0,0|2,0,0]=4 3949 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [1,1,0,0,0,0|2,0,0]=4 3950 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 3951 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|1,0,0]=3 3952 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|1,0,0]=3 3953 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,1,0,0,0,0|2,0,0]=4 3954 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,1,0,0,0,0|2,0,0]=4 3955 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|1,0,0]=3 3956 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|1,0,0]=3 3957 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,1,0,0,0,0|2,0,0]=4 3958 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,1,0,0,0,0|2,0,0]=4 3959 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,1,0,0,0,0|2,0,0]=4 3960 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,1,0,0,0,0|2,0,0]=4 3961 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,1,0,0,0,0|2,0,0]=4 3962 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|1,0,0]=3 3963 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|1,0,0]=3 3964 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,1,0,0,0,0|2,0,0]=4 3965 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,1,0,0,0,0|2,0,0]=4 3966 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,1,0,0,0,0|2,0,0]=4 3967 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,1,0,0,0,0|2,0,0]=4 3968 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,1,0,0,0,0|2,0,0]=4 3969 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,1,0,0,0,0|2,0,0]=4 3970 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,1,0,0,0,0|2,0,0]=4 3971 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,1,0,0,0,0|2,0,0]=4 3972 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 3973 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 3974 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 3975 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,1,0,0,0,0|2,0,0]=4 3976 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 3977 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|2,0,0]=4 3978 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|2,0,0]=4 3979 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|2,0,0]=4 3980 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|2,0,0]=4 3981 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|2,0,0]=4 3982 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 3983 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 3984 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 3985 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 3986 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 3987 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|2,0,0]=4 3988 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 3989 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|2,0,0]=4 3990 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|2,0,0]=4 3991 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|2,0,0]=4 3992 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 3993 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 3994 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|2,0,0]=4 3995 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|2,0,0]=4 3996 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|0,0,0]=2 3997 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|0,0,0]=2 3998 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|0,0,0]=2 3999 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|0,0,0]=2 4000 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 4001 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 4002 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 4003 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 4004 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [1,1,0,0,0,0|1,0,0]=3 4005 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [1,1,0,0,0,0|1,0,0]=3 4006 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [1,1,0,0,0,0|1,0,0]=3 4007 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [1,1,0,0,0,0|1,0,0]=3 4008 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [1,1,0,0,0,0|1,0,0]=3 4009 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [1,1,0,0,0,0|1,0,0]=3 4010 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [1,1,0,0,0,0|1,0,0]=3 4011 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [1,1,0,0,0,0|1,0,0]=3 4012 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [1,1,0,0,0,0|1,0,0]=3 4013 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [1,1,0,0,0,0|1,0,0]=3 4014 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|0,0,0]=2 4015 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|0,0,0]=2 4016 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 4017 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 4018 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [1,1,0,0,0,0|1,0,0]=3 4019 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [1,1,0,0,0,0|1,0,0]=3 4020 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [1,1,0,0,0,0|1,0,0]=3 4021 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [1,1,0,0,0,0|1,0,0]=3 4022 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|2,0,0]=4 4023 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 4024 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|1,0,0]=3 4028 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,1,0,0,0,0|2,0,0]=4 4029 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,1,0,0,0,0|2,0,0]=4 4030 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,1,0,0,0,0|2,0,0]=4 4032 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.2 CCCC(NC)c1ccco1 269862a_106832991636_200011535218 [0,1,0,0,1,0|2,0,0]=4 4034 B11R1.2 CCCC(NC)c1cccs1 2230a_200015187693_200000210301 [0,1,0,0,1,0|2,0,0]=4 4035 B11R1.2 CCCC(NC)c1cccs1 269862a_106832991636_100011218182 [0,1,0,0,1,0|2,0,0]=4 4036 B11R1.2 CCCC(NC)c1cccs1 34a_200015187693_200000210301 [0,1,0,0,1,0|2,0,0]=4 4037 B11R1.2 CCCC(N[13CH3])c1cccs1 2230a_200015187693_200025704644 [0,1,0,0,1,0|2,0,0]=4 4038 B11R1.2 CCCC(N[13CH3])c1cccs1 34a_200015187693_200025704644 [0,1,0,0,1,0|2,0,0]=4 4039 B11R1.15 CNCC(C)c1nc(cs1)C 2230a_100000701280_200000210301 [0,1,0,0,1,0|2,0,0]=4 4040 B11R1.15 Cc1csc(n1)C(C)CN[13CH3] 2230a_100000701280_200025704644 [0,1,0,0,1,0|2,0,0]=4 4041 B11R1.29 CCCNC(C)c1cc[nH]c1 269862a_100020643023_100000753940 [0,1,0,0,1,0|2,0,0]=4 4042 B11R1.29 CCCNC(C)c1ccc[nH]1 269862a_100020643023_100000183661 [0,1,0,0,1,0|2,0,0]=4 4043 B11R1.29 CCCNC(C)c1cccs1 2230a_100000703493_100000210303 [0,1,0,0,1,0|2,0,0]=4 4044 B11R1.29 CCCNC(C)c1cccs1 269862a_100020643023_100000185736 [0,1,0,0,1,0|2,0,0]=4 4045 B11R1.29 CCCNC(C)c1ccoc1 2230a_100000690049_100000210303 [0,1,0,0,1,0|2,0,0]=4 4046 B11R1.29 CCCNC(C)c1ccsc1 2230a_100000748604_100000210303 [0,1,0,0,1,0|2,0,0]=4 4047 B11R1.29 CCCNC(C)c1ccsc1 269862a_100020643023_100000747891 [0,1,0,0,1,0|2,0,0]=4 4048 B11R1.29 CCCN[C@H](C)c1ccco1 2230a_100160469435_100000210303 [0,1,0,0,1,0|2,0,0]=4 4049 B11R1.29 CCCOC(C)c1ccsc1 34a_100011350980_100000210303 [0,1,0,0,1,0|2,0,0]=4 4050 B11R1.29 CCCOC(C)c1ccsc1 7a_100011350980_100000210303 [0,1,0,0,1,0|2,0,0]=4 4051 B11R1.29 CCCO[C@@H](C)c1ccco1 34a_100000755270_100000210303 [0,1,0,0,1,0|2,0,0]=4 4052 B11R1.29 CCCO[C@@H](C)c1ccco1 7a_100000755270_100000210303 [0,1,0,0,1,0|2,0,0]=4 4053 B11R1.29 CCCO[C@H](C)c1cccs1 7a_100000750433_100000210303 [0,1,0,0,1,0|2,0,0]=4 4054 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,1,0,0,1,0|2,0,0]=4 4055 B11R1.29 CCNCC(O)c1ccsc1 2230a_100000758718_100000210202 [0,1,0,0,1,0|2,0,0]=4 4056 B11R1.29 CCNCC(O)c1ccsc1 34a_100000758718_100000210202 [0,1,0,0,1,0|2,0,0]=4 4057 B11R1.29 COCNC(C)c1cccs1 2230a_100000703493_100000766300 [0,1,0,0,1,0|2,0,0]=4 4058 B11R1.29 COCNC(C)c1ccoc1 2230a_100000690049_100000766300 [0,1,0,0,1,0|2,0,0]=4 4059 B11R1.29 COCNC(C)c1ccsc1 2230a_100000748604_100000766300 [0,1,0,0,1,0|2,0,0]=4 4060 B11R1.29 COCN[C@H](C)c1ccco1 2230a_100160469435_100000766300 [0,1,0,0,1,0|2,0,0]=4 4061 B11R1.29 CSCNC(C)c1cccs1 2230a_100000703493_100011218213 [0,1,0,0,1,0|2,0,0]=4 4062 B11R1.29 CSCNC(C)c1ccoc1 2230a_100000690049_100011218213 [0,1,0,0,1,0|2,0,0]=4 4063 B11R1.29 CSCNC(C)c1ccsc1 2230a_100000748604_100011218213 [0,1,0,0,1,0|2,0,0]=4 4064 B11R1.29 CSCN[C@H](C)c1ccco1 2230a_100160469435_100011218213 [0,1,0,0,1,0|2,0,0]=4 4065 B11R1.29 CSCOC(C)c1ccsc1 34a_100011350980_100011218213 [0,1,0,0,1,0|2,0,0]=4 4066 B11R1.29 CSCO[C@@H](C)c1ccco1 34a_100000755270_100011218213 [0,1,0,0,1,0|2,0,0]=4 4067 B11R1.29 OC(CNCF)c1ccsc1 34a_100000758718_100015361967 [0,1,0,0,1,0|2,0,0]=4 4068 B11R1.31 CNC(=O)C(C)n1cccc1 11a_106832991635_100000243804 [0,1,0,0,1,0|1,0,1]=4 4069 B11R1.31 CNC(=O)C(C)n1cccc1 1626a_100102657272_100000243804 [0,1,0,0,1,0|1,0,1]=4 4070 B11R1.31 CNC(=O)C(C)n1cccc1 240690a_100102657272_100000243804 [0,1,0,0,1,0|1,0,1]=4 4071 B11R1.31 CNC(=O)C(C)n1cccc1 527a_100102657272_100000243804 [0,1,0,0,1,0|1,0,1]=4 4072 B13R1.19 CC(CC#N)Nc1ccc(cc1)Br 2230a_100000210018_100009813641 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.19 CC(CC#N)Nc1ccc(cc1)Cl 2230a_100000210052_100009813641 [0,1,0,0,0,1|2,0,0]=4 4074 B13R1.19 CC(CC#N)Oc1ccc(cc1)Br 7a_100000185759_100009813641 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.19 CC(CC#N)Oc1ccc(cc1)Cl 7a_100000210216_100009813641 [0,1,0,0,0,1|2,0,0]=4 4076 B13R1.19 CC(CC#N)Oc1ccc(cc1)I 7a_100000212066_100009813641 [0,1,0,0,0,1|2,0,0]=4 4077 B13R1.19 CC(CC#N)Sc1ccc(cc1)Br 62a_100000752885_100009813641 [0,1,0,0,0,1|2,0,0]=4 4078 B13R1.19 CC(CC#N)Sc1ccc(cc1)Br 62a_100009813641_100000752885 [0,1,0,0,0,1|2,0,0]=4 4079 B13R1.19 CC(CC#N)Sc1ccc(cc1)Cl 62a_100000755918_100009813641 [0,1,0,0,0,1|2,0,0]=4 4080 B13R1.19 CC(CC#N)Sc1ccc(cc1)Cl 62a_100009813641_100000755918 [0,1,0,0,0,1|2,0,0]=4 4081 B13R1.19 CC(CC#N)Sc1ccc(cc1)F 62a_100000211213_100009813641 [0,1,0,0,0,1|2,0,0]=4 4082 B13R1.19 CC(CC#N)Sc1ccc(cc1)F 62a_100009813641_100000211213 [0,1,0,0,0,1|2,0,0]=4 4083 B13R1.19 CC(CC#N)Sc1ccc(cc1)N 62a_100000185761_100009813641 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.19 CC(CC#N)Sc1ccc(cc1)N 62a_100009813641_100000185761 [0,1,0,0,0,1|2,0,0]=4 4085 B13R1.19 CC(CC#N)Sc1ccc(cc1)O 62a_100009813641_100000185759 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 2230a_100000210018_100009893172 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 34a_100000210018_100009893172 [0,1,0,0,0,1|2,0,0]=4 4088 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 2230a_100000210052_100009893172 [0,1,0,0,0,1|2,0,0]=4 4089 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 34a_100000210052_100009893172 [0,1,0,0,0,1|2,0,0]=4 4090 B13R1.19 CC(CCO)Nc1ccc(cc1)F 34a_100000185862_100009893172 [0,1,0,0,0,1|2,0,0]=4 4091 B13R1.19 CC(CCO)Nc1ccc(cc1)I 34a_100000185761_100009893172 [0,1,0,0,0,1|2,0,0]=4 4092 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [0,1,0,0,0,1|2,0,0]=4 4093 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 34a_100000185759_100009893172 [0,1,0,0,0,1|2,0,0]=4 4094 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 7a_100000185759_100009893172 [0,1,0,0,0,1|2,0,0]=4 4095 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 34a_100000210216_100009893172 [0,1,0,0,0,1|2,0,0]=4 4096 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 7a_100000210216_100009893172 [0,1,0,0,0,1|2,0,0]=4 4097 B13R1.19 CC(CCO)Oc1ccc(cc1)F 34a_100000210339_100009893172 [0,1,0,0,0,1|2,0,0]=4 4098 B13R1.19 CC(CCO)Oc1ccc(cc1)I 34a_100000212066_100009893172 [0,1,0,0,0,1|2,0,0]=4 4099 B13R1.19 CC(CCO)Oc1ccc(cc1)I 7a_100000212066_100009893172 [0,1,0,0,0,1|2,0,0]=4 4100 B13R1.19 CC(CCO)Oc1ccc(cc1)N 34a_100000185829_100009893172 [0,1,0,0,0,1|2,0,0]=4 4101 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100000752885_100009893172 [0,1,0,0,0,1|2,0,0]=4 4102 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100009893172_100000752885 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100000755918_100009893172 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100009893172_100000755918 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100000211213_100009893172 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100009893172_100000211213 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100000185761_100009893172 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100009893172_100000185761 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 2230a_200020586543_200025704644 [0,1,0,0,0,1|0,0,0]=2 4111 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 34a_200020586543_200025704644 [0,1,0,0,0,1|0,0,0]=2 4112 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_100010228477_200025704644 [0,1,0,0,0,1|1,0,0]=3 4113 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_200025704644_100010228477 [0,1,0,0,0,1|1,0,0]=3 4114 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000766640 [0,1,0,0,0,1|1,0,0]=3 4115 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000766640 [0,1,0,0,0,1|1,0,0]=3 4116 B13R1.19 CCCC(C)Nc1ccc(cc1)C 34a_100000124888_100000766640 [0,1,0,0,0,1|1,0,0]=3 4117 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [0,1,0,0,0,1|1,0,0]=3 4118 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [0,1,0,0,0,1|1,0,0]=3 4119 B13R1.19 CCCC(C)Nc1ccc(cc1)F 34a_100000185862_100000766640 [0,1,0,0,0,1|1,0,0]=3 4120 B13R1.19 CCCC(C)Nc1ccc(cc1)I 34a_100000185761_100000766640 [0,1,0,0,0,1|1,0,0]=3 4121 B13R1.19 CCCC(C)Nc1ccc(cc1)O 34a_100000185829_100000766640 [0,1,0,0,0,1|1,0,0]=3 4122 B13R1.19 CCCC(C)Nc1ccc(cn1)Br 27a_100000741246_100000686858 [0,1,0,0,0,1|2,0,0]=4 4123 B13R1.19 CCCC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000766640 [0,1,0,0,0,1|2,0,0]=4 4124 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [0,1,0,0,0,1|1,0,0]=3 4125 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [0,1,0,0,0,1|1,0,0]=3 4126 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,1,0,0,0,1|1,0,0]=3 4127 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,1,0,0,0,1|1,0,0]=3 4128 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [0,1,0,0,0,1|1,0,0]=3 4129 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [0,1,0,0,0,1|1,0,0]=3 4130 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [0,1,0,0,0,1|1,0,0]=3 4131 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [0,1,0,0,0,1|1,0,0]=3 4132 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [0,1,0,0,0,1|1,0,0]=3 4133 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [0,1,0,0,0,1|1,0,0]=3 4134 B13R1.19 CCCC(C)Oc1ccc(cn1)C 34a_100000759353_100000766640 [0,1,0,0,0,1|2,0,0]=4 4135 B13R1.19 CCCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000766640 [0,1,0,0,0,1|2,0,0]=4 4136 B13R1.19 CCCC(C)Oc1ccc(cn1)F 34a_100000742473_100000766640 [0,1,0,0,0,1|2,0,0]=4 4137 B13R1.19 CCCC(C)Oc1ccc(cn1)N 34a_100000729260_100000766640 [0,1,0,0,0,1|2,0,0]=4 4138 B13R1.19 CCCC(C)Oc1ccc(nc1)Br 34a_100000685995_100000766640 [0,1,0,0,0,1|2,0,0]=4 4139 B13R1.19 CCCC(C)Oc1ccc(nc1)Br 7a_100000685995_100000766640 [0,1,0,0,0,1|2,0,0]=4 4140 B13R1.19 CCCC(C)Oc1ccc(nc1)C 34a_100000745506_100000766640 [0,1,0,0,0,1|2,0,0]=4 4141 B13R1.19 CCCC(C)Oc1ccc(nc1)C 7a_100000745506_100000766640 [0,1,0,0,0,1|2,0,0]=4 4142 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000766640 [0,1,0,0,0,1|2,0,0]=4 4143 B13R1.19 CCCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000766640 [0,1,0,0,0,1|2,0,0]=4 4144 B13R1.19 CCCC(C)Oc1ccc(nc1)F 34a_100000688820_100000766640 [0,1,0,0,0,1|2,0,0]=4 4145 B13R1.19 CCCC(C)Oc1ccc(nc1)F 7a_100000688820_100000766640 [0,1,0,0,0,1|2,0,0]=4 4146 B13R1.19 CCCC(C)Oc1ccc(nc1)I 34a_100000687607_100000766640 [0,1,0,0,0,1|2,0,0]=4 4147 B13R1.19 CCCC(C)Oc1ccc(nc1)I 7a_100000687607_100000766640 [0,1,0,0,0,1|2,0,0]=4 4148 B13R1.19 CCCC(C)Oc1ccc(nc1)N 34a_100015188713_100000766640 [0,1,0,0,0,1|2,0,0]=4 4149 B13R1.19 CCCC(C)Oc1ccc(nc1)N 7a_100015188713_100000766640 [0,1,0,0,0,1|2,0,0]=4 4150 B13R1.19 CCCC(C)Sc1cc[n+](cc1)[O-] 62a_100000766640_100000039755 [0,1,0,0,0,1|2,0,0]=4 4151 B13R1.19 CCCC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000766640 [0,1,0,0,0,1|2,0,0]=4 4152 B13R1.19 CCCC(C)Sc1ccc(=O)[nH]c1 62a_100000766640_100000212171 [0,1,0,0,0,1|2,0,0]=4 4153 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000766640 [0,1,0,0,0,1|1,0,0]=3 4154 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000766640_100000752885 [0,1,0,0,0,1|1,0,0]=3 4155 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000186775_100000766640 [0,1,0,0,0,1|1,0,0]=3 4156 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000766640_100000186775 [0,1,0,0,0,1|1,0,0]=3 4157 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [0,1,0,0,0,1|1,0,0]=3 4158 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [0,1,0,0,0,1|1,0,0]=3 4159 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000211213_100000766640 [0,1,0,0,0,1|1,0,0]=3 4160 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000766640_100000211213 [0,1,0,0,0,1|1,0,0]=3 4161 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000185761_100000766640 [0,1,0,0,0,1|1,0,0]=3 4162 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000766640_100000185761 [0,1,0,0,0,1|1,0,0]=3 4163 B13R1.19 CCCC(C)Sc1ccc(cc1)O 62a_100000766640_100000185759 [0,1,0,0,0,1|1,0,0]=3 4164 B13R1.19 CCCC(C)Sc1ccc(cn1)Br 62a_100000686858_100000766640 [0,1,0,0,0,1|2,0,0]=4 4165 B13R1.19 CCCC(C)Sc1ccc(cn1)Br 62a_100000766640_100000686858 [0,1,0,0,0,1|2,0,0]=4 4166 B13R1.19 CCCC(C)Sc1ccc(cn1)C 62a_100000766640_100000754016 [0,1,0,0,0,1|2,0,0]=4 4167 B13R1.19 CCCC(C)Sc1ccc(cn1)C 62a_100011192072_100000766640 [0,1,0,0,0,1|2,0,0]=4 4168 B13R1.19 CCCC(C)Sc1ccc(cn1)Cl 62a_100000766640_100011356976 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.19 CCCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000766640 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.19 CCCC(C)Sc1ccc(cn1)F 62a_100000744514_100000766640 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.19 CCCC(C)Sc1ccc(cn1)F 62a_100000766640_100000744514 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.19 CCCC(C)Sc1ccc(cn1)N 62a_100000737798_100000766640 [0,1,0,0,0,1|2,0,0]=4 4173 B13R1.19 CCCC(C)Sc1ccc(cn1)N 62a_100000766640_100000737798 [0,1,0,0,0,1|2,0,0]=4 4174 B13R1.19 CCCC(C)Sc1ccc(cn1)O 62a_100000685995_100000766640 [0,1,0,0,0,1|2,0,0]=4 4175 B13R1.19 CCCC(C)Sc1ccc(cn1)O 62a_100000766640_100000744096 [0,1,0,0,0,1|2,0,0]=4 4176 B13R1.19 CCCC(C)Sc1ccc(nc1)Br 62a_100000766640_100009814638 [0,1,0,0,0,1|2,0,0]=4 4177 B13R1.19 CCCC(C)Sc1ccc(nc1)Br 62a_100009814638_100000766640 [0,1,0,0,0,1|2,0,0]=4 4178 B13R1.19 CCCC(C)Sc1ccc(nc1)C 62a_100000751577_100000766640 [0,1,0,0,0,1|2,0,0]=4 4179 B13R1.19 CCCC(C)Sc1ccc(nc1)C 62a_100000766640_100000751577 [0,1,0,0,0,1|2,0,0]=4 4180 B13R1.19 CCCC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000766640 [0,1,0,0,0,1|2,0,0]=4 4181 B13R1.19 CCCC(C)Sc1ccc(nc1)Cl 62a_100000766640_100000034144 [0,1,0,0,0,1|2,0,0]=4 4182 B13R1.19 CCCC(C)Sc1ccc(nc1)F 62a_100000042367_100000766640 [0,1,0,0,0,1|2,0,0]=4 4183 B13R1.19 CCCC(C)Sc1ccc(nc1)F 62a_100000766640_100000042367 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.19 CCCC(C)Sc1ccc(nc1)N 62a_100000187370_100000766640 [0,1,0,0,0,1|2,0,0]=4 4185 B13R1.19 CCCC(C)Sc1ccc(nc1)N 62a_100000766640_100000187370 [0,1,0,0,0,1|2,0,0]=4 4186 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210303 [0,1,0,0,0,1|2,0,0]=4 4187 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000747261_100011217064 [0,1,0,0,0,1|2,0,0]=4 4188 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210303 [0,1,0,0,0,1|2,0,0]=4 4189 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000747261_100011217064 [0,1,0,0,0,1|2,0,0]=4 4190 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 26a_100000747261_100000185759 [0,1,0,0,0,1|2,0,0]=4 4191 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 270004a_100000747261_100000186029 [0,1,0,0,0,1|2,0,0]=4 4192 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000186941_200000210301 [0,1,0,0,0,1|2,0,0]=4 4193 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210303 [0,1,0,0,0,1|2,0,0]=4 4194 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000747261_100000210814 [0,1,0,0,0,1|2,0,0]=4 4195 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000186941_200000210301 [0,1,0,0,0,1|2,0,0]=4 4196 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210303 [0,1,0,0,0,1|2,0,0]=4 4197 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000747261_100000210814 [0,1,0,0,0,1|2,0,0]=4 4198 B13R1.19 CCCN(C)Cc1ccc(cc1)C 26a_100000747261_200020625495 [0,1,0,0,0,1|2,0,0]=4 4199 B13R1.19 CCCN(C)Cc1ccc(cc1)C 270004a_100000747261_100000211033 [0,1,0,0,0,1|2,0,0]=4 4200 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000186941_200000210301 [0,1,0,0,0,1|2,0,0]=4 4201 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210303 [0,1,0,0,0,1|2,0,0]=4 4202 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210303 [0,1,0,0,0,1|2,0,0]=4 4203 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000747261_100000694040 [0,1,0,0,0,1|2,0,0]=4 4204 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100020603295_200000210301 [0,1,0,0,0,1|2,0,0]=4 4205 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210303 [0,1,0,0,0,1|2,0,0]=4 4206 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000747261_100000187161 [0,1,0,0,0,1|2,0,0]=4 4207 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100020603295_200000210301 [0,1,0,0,0,1|2,0,0]=4 4208 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000189385 [0,1,0,0,0,1|2,0,0]=4 4209 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210303 [0,1,0,0,0,1|2,0,0]=4 4210 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100020603295_200000210301 [0,1,0,0,0,1|2,0,0]=4 4211 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210303 [0,1,0,0,0,1|2,0,0]=4 4212 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000188862_200000210301 [0,1,0,0,0,1|2,0,0]=4 4213 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000747261_100000198546 [0,1,0,0,0,1|2,0,0]=4 4214 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210303 [0,1,0,0,0,1|2,0,0]=4 4215 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000188862_200000210301 [0,1,0,0,0,1|2,0,0]=4 4216 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000747261_100000198546 [0,1,0,0,0,1|2,0,0]=4 4217 B13R1.19 CCCN(C)Cc1ccc(cc1)F 270004a_100000747261_100000210084 [0,1,0,0,0,1|2,0,0]=4 4218 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210303 [0,1,0,0,0,1|2,0,0]=4 4219 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000188862_200000210301 [0,1,0,0,0,1|2,0,0]=4 4220 B13R1.19 CCCN(C)Cc1ccc(cc1)I 2230a_100000747261_100000189116 [0,1,0,0,0,1|2,0,0]=4 4221 B13R1.19 CCCN(C)Cc1ccc(cc1)I 269982a_100000747261_100000189116 [0,1,0,0,0,1|2,0,0]=4 4222 B13R1.19 CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210303 [0,1,0,0,0,1|2,0,0]=4 4223 B13R1.19 CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210303 [0,1,0,0,0,1|2,0,0]=4 4224 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 2230a_100000186941_200025704644 [0,1,0,0,0,1|2,0,0]=4 4225 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 269982a_100000186941_200025704644 [0,1,0,0,0,1|2,0,0]=4 4226 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 34a_100000186941_200025704644 [0,1,0,0,0,1|2,0,0]=4 4227 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100020603295_200025704644 [0,1,0,0,0,1|2,0,0]=4 4228 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100020603295_200025704644 [0,1,0,0,0,1|2,0,0]=4 4229 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 34a_100020603295_200025704644 [0,1,0,0,0,1|2,0,0]=4 4230 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 2230a_100000188862_200025704644 [0,1,0,0,0,1|2,0,0]=4 4231 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 269982a_100000188862_200025704644 [0,1,0,0,0,1|2,0,0]=4 4232 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 34a_100000188862_200025704644 [0,1,0,0,0,1|2,0,0]=4 4233 B13R1.19 CCNC(C)Cc1ccc(cc1)Br 270004a_100015525214_100000691760 [0,1,0,0,0,1|2,0,0]=4 4234 B13R1.19 CCNC(C)Cc1ccc(cc1)C 270004a_100015525214_100000751045 [0,1,0,0,0,1|2,0,0]=4 4235 B13R1.19 CCNC(C)Cc1ccc(cc1)Cl 270004a_100015525214_100000747806 [0,1,0,0,0,1|2,0,0]=4 4236 B13R1.19 CCNC(C)Cc1ccc(cc1)F 270004a_100015525214_100000745281 [0,1,0,0,0,1|2,0,0]=4 4237 B13R1.19 CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210202 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.19 CCNC(C)Cc1ccc(cc1)O 270004a_100015525214_100011218180 [0,1,0,0,0,1|2,0,0]=4 4239 B13R1.19 CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210202 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.19 CCOC(C)Oc1ccc(cc1)O 271570a_203496583355_100009812852 [0,1,0,0,0,1|2,0,0]=4 4243 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200000210301 [0,1,0,0,0,1|1,0,1]=4 4244 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_106832991635_100000183692 [0,1,0,0,0,1|1,0,1]=4 4245 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 34a_100102657272_100000183692 [0,1,0,0,0,1|1,0,1]=4 4246 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 7a_106832991635_100000183692 [0,1,0,0,0,1|1,0,1]=4 4247 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 2230a_106832991635_100000182914 [0,1,0,0,0,1|1,0,1]=4 4248 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 34a_100102657272_100000182914 [0,1,0,0,0,1|1,0,1]=4 4249 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 7a_106832991635_100000182914 [0,1,0,0,0,1|1,0,1]=4 4250 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 2230a_106832991635_100000182960 [0,1,0,0,0,1|1,0,1]=4 4251 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 34a_100102657272_100000182960 [0,1,0,0,0,1|1,0,1]=4 4252 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 7a_106832991635_100000182960 [0,1,0,0,0,1|1,0,1]=4 4253 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200000210301 [0,1,0,0,0,1|1,0,1]=4 4254 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_106832991635_100000181725 [0,1,0,0,0,1|1,0,1]=4 4255 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100025683178_200000210301 [0,1,0,0,0,1|1,0,1]=4 4256 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100102657272_100000181725 [0,1,0,0,0,1|1,0,1]=4 4257 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 7a_106832991635_100000181725 [0,1,0,0,0,1|1,0,1]=4 4258 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 2230a_106832991635_100000183000 [0,1,0,0,0,1|1,0,1]=4 4259 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 34a_100102657272_100000183000 [0,1,0,0,0,1|1,0,1]=4 4260 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 7a_106832991635_100000183000 [0,1,0,0,0,1|1,0,1]=4 4261 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100000233757 [0,1,0,0,0,1|1,0,1]=4 4262 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 34a_100102657272_100000233757 [0,1,0,0,0,1|1,0,1]=4 4263 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 7a_106832991635_100000233757 [0,1,0,0,0,1|1,0,1]=4 4264 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 2230a_106832991635_200010760497 [0,1,0,0,0,1|1,0,1]=4 4265 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 34a_100102657272_200010760497 [0,1,0,0,0,1|1,0,1]=4 4266 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 7a_106832991635_200010760497 [0,1,0,0,0,1|1,0,1]=4 4267 B13R1.19 CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_200000210301 [0,1,0,0,0,1|0,0,0]=2 4268 B13R1.19 CNCC(C)Oc1ccc(cc1)C 34a_100000763606_200000210301 [0,1,0,0,0,1|0,0,0]=2 4269 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_106832991635_100010228477 [0,1,0,0,0,1|0,0,0]=2 4270 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_200000210301 [0,1,0,0,0,1|0,0,0]=2 4271 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_100102657272_100010228477 [0,1,0,0,0,1|0,0,0]=2 4272 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_200020586543_200000210301 [0,1,0,0,0,1|0,0,0]=2 4273 B13R1.19 CNCC(C)Oc1ccc(cc1)F 7a_106832991635_100010228477 [0,1,0,0,0,1|0,0,0]=2 4274 B13R1.19 COCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000765312 [0,1,0,0,0,1|1,0,0]=3 4275 B13R1.19 COCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000765312 [0,1,0,0,0,1|1,0,0]=3 4276 B13R1.19 COCC(C)Nc1ccc(cc1)C 34a_100000124888_100000765312 [0,1,0,0,0,1|1,0,0]=3 4277 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000765312 [0,1,0,0,0,1|1,0,0]=3 4278 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000765312 [0,1,0,0,0,1|1,0,0]=3 4279 B13R1.19 COCC(C)Nc1ccc(cc1)F 34a_100000185862_100000765312 [0,1,0,0,0,1|1,0,0]=3 4280 B13R1.19 COCC(C)Nc1ccc(cc1)I 34a_100000185761_100000765312 [0,1,0,0,0,1|1,0,0]=3 4281 B13R1.19 COCC(C)Nc1ccc(cc1)O 34a_100000185829_100000765312 [0,1,0,0,0,1|1,0,0]=3 4282 B13R1.19 COCC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000765312 [0,1,0,0,0,1|2,0,0]=4 4283 B13R1.19 COCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000765312 [0,1,0,0,0,1|1,0,0]=3 4284 B13R1.19 COCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000765312 [0,1,0,0,0,1|1,0,0]=3 4285 B13R1.19 COCC(C)Oc1ccc(cc1)C 34a_100000210336_100000765312 [0,1,0,0,0,1|1,0,0]=3 4286 B13R1.19 COCC(C)Oc1ccc(cc1)C 7a_100000210336_100000765312 [0,1,0,0,0,1|1,0,0]=3 4287 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000765312 [0,1,0,0,0,1|1,0,0]=3 4288 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000765312 [0,1,0,0,0,1|1,0,0]=3 4289 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100000210339_100000765312 [0,1,0,0,0,1|1,0,0]=3 4290 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100138415774_100010228477 [0,1,0,0,0,1|1,0,0]=3 4291 B13R1.19 COCC(C)Oc1ccc(cc1)I 34a_100000212066_100000765312 [0,1,0,0,0,1|1,0,0]=3 4292 B13R1.19 COCC(C)Oc1ccc(cc1)I 7a_100000212066_100000765312 [0,1,0,0,0,1|1,0,0]=3 4293 B13R1.19 COCC(C)Oc1ccc(cc1)N 34a_100000185829_100000765312 [0,1,0,0,0,1|1,0,0]=3 4294 B13R1.19 COCC(C)Oc1ccc(cn1)C 34a_100000759353_100000765312 [0,1,0,0,0,1|2,0,0]=4 4295 B13R1.19 COCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000765312 [0,1,0,0,0,1|2,0,0]=4 4296 B13R1.19 COCC(C)Oc1ccc(cn1)F 34a_100000742473_100000765312 [0,1,0,0,0,1|2,0,0]=4 4297 B13R1.19 COCC(C)Oc1ccc(cn1)N 34a_100000729260_100000765312 [0,1,0,0,0,1|2,0,0]=4 4298 B13R1.19 COCC(C)Oc1ccc(nc1)Br 34a_100000685995_100000765312 [0,1,0,0,0,1|2,0,0]=4 4299 B13R1.19 COCC(C)Oc1ccc(nc1)Br 7a_100000685995_100000765312 [0,1,0,0,0,1|2,0,0]=4 4300 B13R1.19 COCC(C)Oc1ccc(nc1)C 34a_100000745506_100000765312 [0,1,0,0,0,1|2,0,0]=4 4301 B13R1.19 COCC(C)Oc1ccc(nc1)C 7a_100000745506_100000765312 [0,1,0,0,0,1|2,0,0]=4 4302 B13R1.19 COCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000765312 [0,1,0,0,0,1|2,0,0]=4 4303 B13R1.19 COCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000765312 [0,1,0,0,0,1|2,0,0]=4 4304 B13R1.19 COCC(C)Oc1ccc(nc1)F 34a_100000688820_100000765312 [0,1,0,0,0,1|2,0,0]=4 4305 B13R1.19 COCC(C)Oc1ccc(nc1)F 7a_100000688820_100000765312 [0,1,0,0,0,1|2,0,0]=4 4306 B13R1.19 COCC(C)Oc1ccc(nc1)I 34a_100000687607_100000765312 [0,1,0,0,0,1|2,0,0]=4 4307 B13R1.19 COCC(C)Oc1ccc(nc1)I 7a_100000687607_100000765312 [0,1,0,0,0,1|2,0,0]=4 4308 B13R1.19 COCC(C)Oc1ccc(nc1)N 34a_100015188713_100000765312 [0,1,0,0,0,1|2,0,0]=4 4309 B13R1.19 COCC(C)Oc1ccc(nc1)N 7a_100015188713_100000765312 [0,1,0,0,0,1|2,0,0]=4 4310 B13R1.19 COCC(C)Sc1cc[n+](cc1)[O-] 62a_100000765312_100000039755 [0,1,0,0,0,1|2,0,0]=4 4311 B13R1.19 COCC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000765312 [0,1,0,0,0,1|2,0,0]=4 4312 B13R1.19 COCC(C)Sc1ccc(=O)[nH]c1 62a_100000765312_100000212171 [0,1,0,0,0,1|2,0,0]=4 4313 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000765312 [0,1,0,0,0,1|1,0,0]=3 4314 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000765312_100000752885 [0,1,0,0,0,1|1,0,0]=3 4315 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000186775_100000765312 [0,1,0,0,0,1|1,0,0]=3 4316 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000765312_100000186775 [0,1,0,0,0,1|1,0,0]=3 4317 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000765312 [0,1,0,0,0,1|1,0,0]=3 4318 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000765312_100000755918 [0,1,0,0,0,1|1,0,0]=3 4319 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000211213_100000765312 [0,1,0,0,0,1|1,0,0]=3 4320 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000765312_100000211213 [0,1,0,0,0,1|1,0,0]=3 4321 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000185761_100000765312 [0,1,0,0,0,1|1,0,0]=3 4322 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000765312_100000185761 [0,1,0,0,0,1|1,0,0]=3 4323 B13R1.19 COCC(C)Sc1ccc(cc1)O 62a_100000765312_100000185759 [0,1,0,0,0,1|1,0,0]=3 4324 B13R1.19 COCC(C)Sc1ccc(cn1)Br 62a_100000686858_100000765312 [0,1,0,0,0,1|2,0,0]=4 4325 B13R1.19 COCC(C)Sc1ccc(cn1)Br 62a_100000765312_100000686858 [0,1,0,0,0,1|2,0,0]=4 4326 B13R1.19 COCC(C)Sc1ccc(cn1)C 62a_100000765312_100000754016 [0,1,0,0,0,1|2,0,0]=4 4327 B13R1.19 COCC(C)Sc1ccc(cn1)C 62a_100011192072_100000765312 [0,1,0,0,0,1|2,0,0]=4 4328 B13R1.19 COCC(C)Sc1ccc(cn1)Cl 62a_100000765312_100011356976 [0,1,0,0,0,1|2,0,0]=4 4329 B13R1.19 COCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000765312 [0,1,0,0,0,1|2,0,0]=4 4330 B13R1.19 COCC(C)Sc1ccc(cn1)F 62a_100000744514_100000765312 [0,1,0,0,0,1|2,0,0]=4 4331 B13R1.19 COCC(C)Sc1ccc(cn1)F 62a_100000765312_100000744514 [0,1,0,0,0,1|2,0,0]=4 4332 B13R1.19 COCC(C)Sc1ccc(cn1)N 62a_100000737798_100000765312 [0,1,0,0,0,1|2,0,0]=4 4333 B13R1.19 COCC(C)Sc1ccc(cn1)N 62a_100000765312_100000737798 [0,1,0,0,0,1|2,0,0]=4 4334 B13R1.19 COCC(C)Sc1ccc(cn1)O 62a_100000685995_100000765312 [0,1,0,0,0,1|2,0,0]=4 4335 B13R1.19 COCC(C)Sc1ccc(cn1)O 62a_100000765312_100000744096 [0,1,0,0,0,1|2,0,0]=4 4336 B13R1.19 COCC(C)Sc1ccc(nc1)Br 62a_100000765312_100009814638 [0,1,0,0,0,1|2,0,0]=4 4337 B13R1.19 COCC(C)Sc1ccc(nc1)Br 62a_100009814638_100000765312 [0,1,0,0,0,1|2,0,0]=4 4338 B13R1.19 COCC(C)Sc1ccc(nc1)C 62a_100000751577_100000765312 [0,1,0,0,0,1|2,0,0]=4 4339 B13R1.19 COCC(C)Sc1ccc(nc1)C 62a_100000765312_100000751577 [0,1,0,0,0,1|2,0,0]=4 4340 B13R1.19 COCC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000765312 [0,1,0,0,0,1|2,0,0]=4 4341 B13R1.19 COCC(C)Sc1ccc(nc1)Cl 62a_100000765312_100000034144 [0,1,0,0,0,1|2,0,0]=4 4342 B13R1.19 COCC(C)Sc1ccc(nc1)F 62a_100000042367_100000765312 [0,1,0,0,0,1|2,0,0]=4 4343 B13R1.19 COCC(C)Sc1ccc(nc1)F 62a_100000765312_100000042367 [0,1,0,0,0,1|2,0,0]=4 4344 B13R1.19 COCC(C)Sc1ccc(nc1)N 62a_100000187370_100000765312 [0,1,0,0,0,1|2,0,0]=4 4345 B13R1.19 COCC(C)Sc1ccc(nc1)N 62a_100000765312_100000187370 [0,1,0,0,0,1|2,0,0]=4 4346 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,1,0,0,0,1|2,0,0]=4 4347 B13R1.19 COCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000766300 [0,1,0,0,0,1|2,0,0]=4 4348 B13R1.19 COCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000766300 [0,1,0,0,0,1|2,0,0]=4 4349 B13R1.19 COCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000766300 [0,1,0,0,0,1|2,0,0]=4 4350 B13R1.19 COCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000766300 [0,1,0,0,0,1|2,0,0]=4 4351 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000766300 [0,1,0,0,0,1|2,0,0]=4 4352 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000766300 [0,1,0,0,0,1|2,0,0]=4 4353 B13R1.19 COCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000766300 [0,1,0,0,0,1|2,0,0]=4 4354 B13R1.19 COCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000766300 [0,1,0,0,0,1|2,0,0]=4 4355 B13R1.19 COCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000766300 [0,1,0,0,0,1|2,0,0]=4 4356 B13R1.19 COCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000766300 [0,1,0,0,0,1|2,0,0]=4 4357 B13R1.19 COC[C@@H](C)Nc1ccc(cn1)Br 27a_100000764878_100000686858 [0,1,0,0,0,1|2,0,0]=4 4358 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_100010228477_200000210301 [0,1,0,0,0,1|1,0,0]=3 4359 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_200000210301_100010228477 [0,1,0,0,0,1|1,0,0]=3 4360 B13R1.19 CSCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100011218213 [0,1,0,0,0,1|2,0,0]=4 4361 B13R1.19 CSCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100011218213 [0,1,0,0,0,1|2,0,0]=4 4362 B13R1.19 CSCN(C)Cc1ccc(cc1)C 2230a_100000744650_100011218213 [0,1,0,0,0,1|2,0,0]=4 4363 B13R1.19 CSCN(C)Cc1ccc(cc1)C 269982a_100000744650_100011218213 [0,1,0,0,0,1|2,0,0]=4 4364 B13R1.19 CSCN(C)Cc1ccc(cc1)C 34a_100000744650_100011218213 [0,1,0,0,0,1|2,0,0]=4 4365 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100011218213 [0,1,0,0,0,1|2,0,0]=4 4366 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100011218213 [0,1,0,0,0,1|2,0,0]=4 4367 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100011218213 [0,1,0,0,0,1|2,0,0]=4 4368 B13R1.19 CSCN(C)Cc1ccc(cc1)F 2230a_100000184576_100011218213 [0,1,0,0,0,1|2,0,0]=4 4369 B13R1.19 CSCN(C)Cc1ccc(cc1)F 269982a_100000184576_100011218213 [0,1,0,0,0,1|2,0,0]=4 4370 B13R1.19 CSCN(C)Cc1ccc(cc1)F 34a_100000184576_100011218213 [0,1,0,0,0,1|2,0,0]=4 4371 B13R1.19 CSCN(C)Cc1ccc(cc1)O 2230a_100000207500_100011218213 [0,1,0,0,0,1|2,0,0]=4 4372 B13R1.19 CSCN(C)Cc1ccc(cc1)O 269982a_100000207500_100011218213 [0,1,0,0,0,1|2,0,0]=4 4373 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [0,1,0,0,0,1|2,0,0]=4 4374 B13R1.19 Cc1ccc(cc1)OC(C)CC#N 7a_100000210336_100009813641 [0,1,0,0,0,1|2,0,0]=4 4375 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [0,1,0,0,0,1|2,0,0]=4 4376 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [0,1,0,0,0,1|2,0,0]=4 4377 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 2230a_100000763606_200025704644 [0,1,0,0,0,1|0,0,0]=2 4378 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 34a_100000763606_200025704644 [0,1,0,0,0,1|0,0,0]=2 4379 B13R1.19 Cc1ccc(cc1)SC(C)CC#N 62a_100000186775_100009813641 [0,1,0,0,0,1|2,0,0]=4 4380 B13R1.19 Cc1ccc(cc1)SC(C)CC#N 62a_100009813641_100000186775 [0,1,0,0,0,1|2,0,0]=4 4381 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [0,1,0,0,0,1|2,0,0]=4 4382 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [0,1,0,0,0,1|2,0,0]=4 4383 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200025704644 [0,1,0,0,0,1|1,0,1]=4 4384 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200025704644 [0,1,0,0,0,1|1,0,1]=4 4385 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 34a_100025683178_200025704644 [0,1,0,0,0,1|1,0,1]=4 4386 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,1,0,0,0,1|2,0,0]=4 4387 B13R1.20 CC(CC#N)Oc1cccc(c1)Br 7a_100000210342_100009813641 [0,1,0,0,0,1|2,0,0]=4 4388 B13R1.20 CC(CC#N)Oc1cccc(c1)Cl 7a_100000210295_100009813641 [0,1,0,0,0,1|2,0,0]=4 4389 B13R1.20 CC(CC#N)Oc1cccc(c1)F 7a_100000210426_100009813641 [0,1,0,0,0,1|2,0,0]=4 4390 B13R1.20 CC(CC#N)Oc1cccc(c1)I 7a_100000211634_100009813641 [0,1,0,0,0,1|2,0,0]=4 4391 B13R1.20 CC(CC#N)Sc1cccc(c1)Br 62a_100000691529_100009813641 [0,1,0,0,0,1|2,0,0]=4 4392 B13R1.20 CC(CC#N)Sc1cccc(c1)Br 62a_100009813641_100000691529 [0,1,0,0,0,1|2,0,0]=4 4393 B13R1.20 CC(CC#N)Sc1cccc(c1)Cl 62a_100000699651_100009813641 [0,1,0,0,0,1|2,0,0]=4 4394 B13R1.20 CC(CC#N)Sc1cccc(c1)Cl 62a_100009813641_100000699651 [0,1,0,0,0,1|2,0,0]=4 4395 B13R1.20 CC(CC#N)Sc1cccc(c1)F 62a_100000685547_100009813641 [0,1,0,0,0,1|2,0,0]=4 4396 B13R1.20 CC(CC#N)Sc1cccc(c1)F 62a_100009813641_100000685547 [0,1,0,0,0,1|2,0,0]=4 4397 B13R1.20 CC(CC#N)Sc1cccc(c1)N 62a_100000210019_100009813641 [0,1,0,0,0,1|2,0,0]=4 4398 B13R1.20 CC(CC#N)Sc1cccc(c1)N 62a_100009813641_100000210019 [0,1,0,0,0,1|2,0,0]=4 4399 B13R1.20 CC(CC#N)Sc1cccc(c1)O 62a_100009813641_100000211634 [0,1,0,0,0,1|2,0,0]=4 4400 B13R1.20 CC(CC#N)Sc1cccc(c1)[S] 62a_100009813641_114929384022 [0,1,0,0,0,1|2,0,0]=4 4401 B13R1.20 CC(CC#N)Sc1cccc(c1)[S] 62a_114929384022_100009813641 [0,1,0,0,0,1|2,0,0]=4 4402 B13R1.20 CC(CCO)Nc1cccc(c1)Br 34a_100000210019_100009893172 [0,1,0,0,0,1|2,0,0]=4 4403 B13R1.20 CC(CCO)Nc1cccc(c1)Cl 34a_100000185859_100009893172 [0,1,0,0,0,1|2,0,0]=4 4404 B13R1.20 CC(CCO)Nc1cccc(c1)F 34a_100000210047_100009893172 [0,1,0,0,0,1|2,0,0]=4 4405 B13R1.20 CC(CCO)Nc1cccc(c1)I 34a_100000211102_100009893172 [0,1,0,0,0,1|2,0,0]=4 4406 B13R1.20 CC(CCO)Nc1cccc(c1)O 34a_100000210217_100009893172 [0,1,0,0,0,1|2,0,0]=4 4407 B13R1.20 CC(CCO)Oc1cccc(c1)Br 34a_100000210342_100009893172 [0,1,0,0,0,1|2,0,0]=4 4408 B13R1.20 CC(CCO)Oc1cccc(c1)Br 7a_100000210342_100009893172 [0,1,0,0,0,1|2,0,0]=4 4409 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 34a_100000210295_100009893172 [0,1,0,0,0,1|2,0,0]=4 4410 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 7a_100000210295_100009893172 [0,1,0,0,0,1|2,0,0]=4 4411 B13R1.20 CC(CCO)Oc1cccc(c1)F 34a_100000210426_100009893172 [0,1,0,0,0,1|2,0,0]=4 4412 B13R1.20 CC(CCO)Oc1cccc(c1)F 7a_100000210426_100009893172 [0,1,0,0,0,1|2,0,0]=4 4413 B13R1.20 CC(CCO)Oc1cccc(c1)I 34a_100000211634_100009893172 [0,1,0,0,0,1|2,0,0]=4 4414 B13R1.20 CC(CCO)Oc1cccc(c1)I 7a_100000211634_100009893172 [0,1,0,0,0,1|2,0,0]=4 4415 B13R1.20 CC(CCO)Oc1cccc(c1)N 34a_100000210217_100009893172 [0,1,0,0,0,1|2,0,0]=4 4416 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100000691529_100009893172 [0,1,0,0,0,1|2,0,0]=4 4417 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100009893172_100000691529 [0,1,0,0,0,1|2,0,0]=4 4418 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100000699651_100009893172 [0,1,0,0,0,1|2,0,0]=4 4419 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100009893172_100000699651 [0,1,0,0,0,1|2,0,0]=4 4420 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100000685547_100009893172 [0,1,0,0,0,1|2,0,0]=4 4421 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100009893172_100000685547 [0,1,0,0,0,1|2,0,0]=4 4422 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100000210019_100009893172 [0,1,0,0,0,1|2,0,0]=4 4423 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100009893172_100000210019 [0,1,0,0,0,1|2,0,0]=4 4424 B13R1.20 CC(CCO)Sc1cccc(c1)O 62a_100009893172_100000211634 [0,1,0,0,0,1|2,0,0]=4 4425 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_100009893172_114929384022 [0,1,0,0,0,1|2,0,0]=4 4426 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_114929384022_100009893172 [0,1,0,0,0,1|2,0,0]=4 4427 B13R1.20 CCCC(C)Nc1cc(ccn1)F 27a_100000741246_100000764206 [0,1,0,0,0,1|2,0,0]=4 4428 B13R1.20 CCCC(C)Nc1cc[nH]c(=O)c1 27a_100000741246_100000061649 [0,1,0,0,0,1|2,0,0]=4 4429 B13R1.20 CCCC(C)Nc1cccc(c1)Br 34a_100000210019_100000766640 [0,1,0,0,0,1|1,0,0]=3 4430 B13R1.20 CCCC(C)Nc1cccc(c1)C 2230a_100000188690_100000766640 [0,1,0,0,0,1|1,0,0]=3 4431 B13R1.20 CCCC(C)Nc1cccc(c1)C 34a_100000188690_100000766640 [0,1,0,0,0,1|1,0,0]=3 4432 B13R1.20 CCCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000766640 [0,1,0,0,0,1|1,0,0]=3 4433 B13R1.20 CCCC(C)Nc1cccc(c1)F 34a_100000210047_100000766640 [0,1,0,0,0,1|1,0,0]=3 4434 B13R1.20 CCCC(C)Nc1cccc(c1)I 34a_100000211102_100000766640 [0,1,0,0,0,1|1,0,0]=3 4435 B13R1.20 CCCC(C)Nc1cccc(c1)O 34a_100000210217_100000766640 [0,1,0,0,0,1|1,0,0]=3 4436 B13R1.20 CCCC(C)Nc1cccc(n1)F 27a_100000741246_100009815982 [0,1,0,0,0,1|2,0,0]=4 4437 B13R1.20 CCCC(C)Nc1ccnc(c1)C 27a_100000741246_100000758586 [0,1,0,0,0,1|2,0,0]=4 4438 B13R1.20 CCCC(C)Nc1ccnc(c1)F 27a_100000741246_100009816116 [0,1,0,0,0,1|2,0,0]=4 4439 B13R1.20 CCCC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100000766640 [0,1,0,0,0,1|2,0,0]=4 4440 B13R1.20 CCCC(C)Oc1ccc[n+](c1)[O-] 34a_100000039713_100000766640 [0,1,0,0,0,1|2,0,0]=4 4441 B13R1.20 CCCC(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000766640 [0,1,0,0,0,1|2,0,0]=4 4442 B13R1.20 CCCC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100000766640 [0,1,0,0,0,1|2,0,0]=4 4443 B13R1.20 CCCC(C)Oc1cccc(c1)Br 34a_100000210342_100000766640 [0,1,0,0,0,1|1,0,0]=3 4444 B13R1.20 CCCC(C)Oc1cccc(c1)Br 7a_100000210342_100000766640 [0,1,0,0,0,1|1,0,0]=3 4445 B13R1.20 CCCC(C)Oc1cccc(c1)C 34a_100000210337_100000766640 [0,1,0,0,0,1|1,0,0]=3 4446 B13R1.20 CCCC(C)Oc1cccc(c1)C 7a_100000210337_100000766640 [0,1,0,0,0,1|1,0,0]=3 4447 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000766640 [0,1,0,0,0,1|1,0,0]=3 4448 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000766640 [0,1,0,0,0,1|1,0,0]=3 4449 B13R1.20 CCCC(C)Oc1cccc(c1)F 34a_100000210426_100000766640 [0,1,0,0,0,1|1,0,0]=3 4450 B13R1.20 CCCC(C)Oc1cccc(c1)F 7a_100000210426_100000766640 [0,1,0,0,0,1|1,0,0]=3 4451 B13R1.20 CCCC(C)Oc1cccc(c1)I 34a_100000211634_100000766640 [0,1,0,0,0,1|1,0,0]=3 4452 B13R1.20 CCCC(C)Oc1cccc(c1)I 7a_100000211634_100000766640 [0,1,0,0,0,1|1,0,0]=3 4453 B13R1.20 CCCC(C)Oc1cccc(c1)N 34a_100000210217_100000766640 [0,1,0,0,0,1|1,0,0]=3 4454 B13R1.20 CCCC(C)Oc1cccc(n1)F 34a_100011432558_100000766640 [0,1,0,0,0,1|2,0,0]=4 4455 B13R1.20 CCCC(C)Oc1ccnc(c1)C 34a_100000688365_100000766640 [0,1,0,0,0,1|2,0,0]=4 4456 B13R1.20 CCCC(C)Oc1ccnc(c1)Cl 34a_100000762945_100000766640 [0,1,0,0,0,1|2,0,0]=4 4457 B13R1.20 CCCC(C)Oc1ccnc(c1)F 34a_100000732698_100000766640 [0,1,0,0,0,1|2,0,0]=4 4458 B13R1.20 CCCC(C)Oc1ccnc(c1)N 34a_100011834064_100000766640 [0,1,0,0,0,1|2,0,0]=4 4459 B13R1.20 CCCC(C)Oc1cncc(c1)Br 34a_100000754920_100000766640 [0,1,0,0,0,1|2,0,0]=4 4460 B13R1.20 CCCC(C)Oc1cncc(c1)Br 7a_100000754920_100000766640 [0,1,0,0,0,1|2,0,0]=4 4461 B13R1.20 CCCC(C)Oc1cncc(c1)C 34a_100011830280_100000766640 [0,1,0,0,0,1|2,0,0]=4 4462 B13R1.20 CCCC(C)Oc1cncc(c1)C 7a_100011830280_100000766640 [0,1,0,0,0,1|2,0,0]=4 4463 B13R1.20 CCCC(C)Oc1cncc(c1)Cl 7a_100000032511_100000766640 [0,1,0,0,0,1|2,0,0]=4 4464 B13R1.20 CCCC(C)Oc1cncc(c1)F 34a_100011830296_100000766640 [0,1,0,0,0,1|2,0,0]=4 4465 B13R1.20 CCCC(C)Oc1cncc(c1)F 7a_100011830296_100000766640 [0,1,0,0,0,1|2,0,0]=4 4466 B13R1.20 CCCC(C)Oc1cncc(c1)N 34a_100011997051_100000766640 [0,1,0,0,0,1|2,0,0]=4 4467 B13R1.20 CCCC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000766640 [0,1,0,0,0,1|2,0,0]=4 4468 B13R1.20 CCCC(C)Sc1cc(ccn1)C 62a_100000750283_100000766640 [0,1,0,0,0,1|2,0,0]=4 4469 B13R1.20 CCCC(C)Sc1cc(ccn1)C 62a_100000766640_100000750283 [0,1,0,0,0,1|2,0,0]=4 4470 B13R1.20 CCCC(C)Sc1cc(ccn1)Cl 62a_100000766640_100010167805 [0,1,0,0,0,1|2,0,0]=4 4471 B13R1.20 CCCC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000766640 [0,1,0,0,0,1|2,0,0]=4 4472 B13R1.20 CCCC(C)Sc1cc(ccn1)F 62a_100000764206_100000766640 [0,1,0,0,0,1|2,0,0]=4 4473 B13R1.20 CCCC(C)Sc1cc(ccn1)F 62a_100000766640_100000764206 [0,1,0,0,0,1|2,0,0]=4 4474 B13R1.20 CCCC(C)Sc1cc(ccn1)N 62a_100000766640_100009814236 [0,1,0,0,0,1|2,0,0]=4 4475 B13R1.20 CCCC(C)Sc1cc(ccn1)N 62a_100009814236_100000766640 [0,1,0,0,0,1|2,0,0]=4 4476 B13R1.20 CCCC(C)Sc1cc(ccn1)O 62a_100000766640_100000762945 [0,1,0,0,0,1|2,0,0]=4 4477 B13R1.20 CCCC(C)Sc1cc[nH]c(=O)c1 62a_100000766640_100009816521 [0,1,0,0,0,1|2,0,0]=4 4478 B13R1.20 CCCC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100000766640 [0,1,0,0,0,1|2,0,0]=4 4479 B13R1.20 CCCC(C)Sc1ccc[n+](c1)C 62a_100000766640_100009996589 [0,1,0,0,0,1|2,0,0]=4 4480 B13R1.20 CCCC(C)Sc1ccc[n+](c1)C 62a_100009996589_100000766640 [0,1,0,0,0,1|2,0,0]=4 4481 B13R1.20 CCCC(C)Sc1ccc[n+](c1)[O-] 62a_100000766640_100009815978 [0,1,0,0,0,1|2,0,0]=4 4482 B13R1.20 CCCC(C)Sc1cccc(=O)[nH]1 62a_100000766640_100000752884 [0,1,0,0,0,1|2,0,0]=4 4483 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000691529_100000766640 [0,1,0,0,0,1|1,0,0]=3 4484 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000766640_100000691529 [0,1,0,0,0,1|1,0,0]=3 4485 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100000766640_100011215228 [0,1,0,0,0,1|1,0,0]=3 4486 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100011215228_100000766640 [0,1,0,0,0,1|1,0,0]=3 4487 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000766640 [0,1,0,0,0,1|1,0,0]=3 4488 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000766640_100000699651 [0,1,0,0,0,1|1,0,0]=3 4489 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000685547_100000766640 [0,1,0,0,0,1|1,0,0]=3 4490 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000766640_100000685547 [0,1,0,0,0,1|1,0,0]=3 4491 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000210019_100000766640 [0,1,0,0,0,1|1,0,0]=3 4492 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000766640_100000210019 [0,1,0,0,0,1|1,0,0]=3 4493 B13R1.20 CCCC(C)Sc1cccc(c1)O 62a_100000766640_100000211634 [0,1,0,0,0,1|1,0,0]=3 4494 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_100000766640_114929384022 [0,1,0,0,0,1|1,0,0]=3 4495 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000766640 [0,1,0,0,0,1|1,0,0]=3 4496 B13R1.20 CCCC(C)Sc1cccc(n1)Br 62a_100000684672_100000766640 [0,1,0,0,0,1|2,0,0]=4 4497 B13R1.20 CCCC(C)Sc1cccc(n1)Br 62a_100000766640_100000684672 [0,1,0,0,0,1|2,0,0]=4 4498 B13R1.20 CCCC(C)Sc1cccc(n1)C 62a_100000742759_100000766640 [0,1,0,0,0,1|2,0,0]=4 4499 B13R1.20 CCCC(C)Sc1cccc(n1)C 62a_100000766640_100000742759 [0,1,0,0,0,1|2,0,0]=4 4500 B13R1.20 CCCC(C)Sc1cccc(n1)Cl 62a_100000051397_100000766640 [0,1,0,0,0,1|2,0,0]=4 4501 B13R1.20 CCCC(C)Sc1cccc(n1)Cl 62a_100000766640_100000051397 [0,1,0,0,0,1|2,0,0]=4 4502 B13R1.20 CCCC(C)Sc1cccc(n1)F 62a_100000766640_100009815982 [0,1,0,0,0,1|2,0,0]=4 4503 B13R1.20 CCCC(C)Sc1cccc(n1)F 62a_100009815982_100000766640 [0,1,0,0,0,1|2,0,0]=4 4504 B13R1.20 CCCC(C)Sc1cccc(n1)N 62a_100000740741_100000766640 [0,1,0,0,0,1|2,0,0]=4 4505 B13R1.20 CCCC(C)Sc1cccc(n1)N 62a_100000766640_100000740741 [0,1,0,0,0,1|2,0,0]=4 4506 B13R1.20 CCCC(C)Sc1ccnc(c1)Br 62a_100000766640_100009814637 [0,1,0,0,0,1|2,0,0]=4 4507 B13R1.20 CCCC(C)Sc1ccnc(c1)Br 62a_100009814637_100000766640 [0,1,0,0,0,1|2,0,0]=4 4508 B13R1.20 CCCC(C)Sc1ccnc(c1)C 62a_100000758586_100000766640 [0,1,0,0,0,1|2,0,0]=4 4509 B13R1.20 CCCC(C)Sc1ccnc(c1)C 62a_100000766640_100000758586 [0,1,0,0,0,1|2,0,0]=4 4510 B13R1.20 CCCC(C)Sc1ccnc(c1)Cl 62a_100000035001_100000766640 [0,1,0,0,0,1|2,0,0]=4 4511 B13R1.20 CCCC(C)Sc1ccnc(c1)Cl 62a_100000766640_100000035001 [0,1,0,0,0,1|2,0,0]=4 4512 B13R1.20 CCCC(C)Sc1ccnc(c1)F 62a_100000766640_100009816116 [0,1,0,0,0,1|2,0,0]=4 4513 B13R1.20 CCCC(C)Sc1ccnc(c1)F 62a_100009816116_100000766640 [0,1,0,0,0,1|2,0,0]=4 4514 B13R1.20 CCCC(C)Sc1ccnc(c1)N 62a_100000049665_100000766640 [0,1,0,0,0,1|2,0,0]=4 4515 B13R1.20 CCCC(C)Sc1ccnc(c1)N 62a_100000766640_100000049665 [0,1,0,0,0,1|2,0,0]=4 4516 B13R1.20 CCCC(C)Sc1cncc(c1)Br 62a_100000728054_100000766640 [0,1,0,0,0,1|2,0,0]=4 4517 B13R1.20 CCCC(C)Sc1cncc(c1)Br 62a_100000766640_100000728054 [0,1,0,0,0,1|2,0,0]=4 4518 B13R1.20 CCCC(C)Sc1cncc(c1)C 62a_100000760492_100000766640 [0,1,0,0,0,1|2,0,0]=4 4519 B13R1.20 CCCC(C)Sc1cncc(c1)C 62a_100000766640_100000760492 [0,1,0,0,0,1|2,0,0]=4 4520 B13R1.20 CCCC(C)Sc1cncc(c1)Cl 62a_100000049639_100000766640 [0,1,0,0,0,1|2,0,0]=4 4521 B13R1.20 CCCC(C)Sc1cncc(c1)Cl 62a_100000766640_100000049639 [0,1,0,0,0,1|2,0,0]=4 4522 B13R1.20 CCCC(C)Sc1cncc(c1)F 62a_100000744099_100000766640 [0,1,0,0,0,1|2,0,0]=4 4523 B13R1.20 CCCC(C)Sc1cncc(c1)F 62a_100000766640_100000744099 [0,1,0,0,0,1|2,0,0]=4 4524 B13R1.20 CCCC(C)Sc1cncc(c1)N 62a_100000687067_100000766640 [0,1,0,0,0,1|2,0,0]=4 4525 B13R1.20 CCCC(C)Sc1cncc(c1)N 62a_100000766640_100000687067 [0,1,0,0,0,1|2,0,0]=4 4526 B13R1.20 CCCC(C)Sc1cncc(c1)O 62a_100000754920_100000766640 [0,1,0,0,0,1|2,0,0]=4 4527 B13R1.20 CCCC(C)Sc1cncc(c1)O 62a_100000766640_100000754920 [0,1,0,0,0,1|2,0,0]=4 4528 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210303 [0,1,0,0,0,1|2,0,0]=4 4529 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000747261_100000698116 [0,1,0,0,0,1|2,0,0]=4 4530 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100015184641_200000210301 [0,1,0,0,0,1|2,0,0]=4 4531 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210303 [0,1,0,0,0,1|2,0,0]=4 4532 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000747261_100000211773 [0,1,0,0,0,1|2,0,0]=4 4533 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100015184641_200000210301 [0,1,0,0,0,1|2,0,0]=4 4534 B13R1.20 CCCN(C)Cc1cccc(c1)Br 26a_100000747261_100000210342 [0,1,0,0,0,1|2,0,0]=4 4535 B13R1.20 CCCN(C)Cc1cccc(c1)Br 270004a_100000747261_100000210085 [0,1,0,0,0,1|2,0,0]=4 4536 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_100000747261_100000211840 [0,1,0,0,0,1|2,0,0]=4 4537 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210303 [0,1,0,0,0,1|2,0,0]=4 4538 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_100000747261_100000211840 [0,1,0,0,0,1|2,0,0]=4 4539 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210303 [0,1,0,0,0,1|2,0,0]=4 4540 B13R1.20 CCCN(C)Cc1cccc(c1)C 270004a_100000747261_100000211157 [0,1,0,0,0,1|2,0,0]=4 4541 B13R1.20 CCCN(C)Cc1cccc(c1)C 34a_102495364743_100000210303 [0,1,0,0,0,1|2,0,0]=4 4542 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100000747261_100000181238 [0,1,0,0,0,1|2,0,0]=4 4543 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100015184648_200000210301 [0,1,0,0,0,1|2,0,0]=4 4544 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210303 [0,1,0,0,0,1|2,0,0]=4 4545 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100000747261_100000181238 [0,1,0,0,0,1|2,0,0]=4 4546 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100015184648_200000210301 [0,1,0,0,0,1|2,0,0]=4 4547 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210303 [0,1,0,0,0,1|2,0,0]=4 4548 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 270004a_100000747261_100000210801 [0,1,0,0,0,1|2,0,0]=4 4549 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 34a_100015184648_200000210301 [0,1,0,0,0,1|2,0,0]=4 4550 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210303 [0,1,0,0,0,1|2,0,0]=4 4551 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000747261_100000230114 [0,1,0,0,0,1|2,0,0]=4 4552 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210303 [0,1,0,0,0,1|2,0,0]=4 4553 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000747261_100000230114 [0,1,0,0,0,1|2,0,0]=4 4554 B13R1.20 CCCN(C)Cc1cccc(c1)F 270004a_100000747261_100000210812 [0,1,0,0,0,1|2,0,0]=4 4555 B13R1.20 CCCN(C)Cc1cccc(c1)F 34a_100000184398_100000210303 [0,1,0,0,0,1|2,0,0]=4 4556 B13R1.20 CCCN(C)Cc1cccc(c1)I 2230a_100000747261_100011218688 [0,1,0,0,0,1|2,0,0]=4 4557 B13R1.20 CCCN(C)Cc1cccc(c1)I 269982a_100000747261_100011218688 [0,1,0,0,0,1|2,0,0]=4 4558 B13R1.20 CCCN(C)Cc1cccc(c1)I 270004a_100000747261_100000014684 [0,1,0,0,0,1|2,0,0]=4 4559 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210303 [0,1,0,0,0,1|2,0,0]=4 4560 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000747261_100011660834 [0,1,0,0,0,1|2,0,0]=4 4561 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210303 [0,1,0,0,0,1|2,0,0]=4 4562 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000747261_100000084143 [0,1,0,0,0,1|2,0,0]=4 4563 B13R1.20 CCCN(C)Cc1cccc(c1)O 270004a_100000747261_100000188321 [0,1,0,0,0,1|2,0,0]=4 4564 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 2230a_100015184641_200025704644 [0,1,0,0,0,1|2,0,0]=4 4565 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 269982a_100015184641_200025704644 [0,1,0,0,0,1|2,0,0]=4 4566 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 2230a_100015184648_200025704644 [0,1,0,0,0,1|2,0,0]=4 4567 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 269982a_100015184648_200025704644 [0,1,0,0,0,1|2,0,0]=4 4568 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 34a_100015184648_200025704644 [0,1,0,0,0,1|2,0,0]=4 4569 B13R1.20 CCNC(C)Cc1cccc(c1)Br 270004a_100015525214_100000689217 [0,1,0,0,0,1|2,0,0]=4 4570 B13R1.20 CCNC(C)Cc1cccc(c1)Cl 270004a_100015525214_100000727212 [0,1,0,0,0,1|2,0,0]=4 4571 B13R1.20 CCNC(C)Cc1cccc(c1)F 270004a_100015525214_100000687711 [0,1,0,0,0,1|2,0,0]=4 4572 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 2230a_106832991635_100000183509 [0,1,0,0,0,1|1,0,1]=4 4573 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 34a_100102657272_100000183509 [0,1,0,0,0,1|1,0,1]=4 4574 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 7a_106832991635_100000183509 [0,1,0,0,0,1|1,0,1]=4 4575 B13R1.20 CNCC(=O)Nc1cccc(c1)C 2230a_106832991635_100000182861 [0,1,0,0,0,1|1,0,1]=4 4576 B13R1.20 CNCC(=O)Nc1cccc(c1)C 34a_100102657272_100000182861 [0,1,0,0,0,1|1,0,1]=4 4577 B13R1.20 CNCC(=O)Nc1cccc(c1)C 7a_106832991635_100000182861 [0,1,0,0,0,1|1,0,1]=4 4578 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200000210301 [0,1,0,0,0,1|1,0,1]=4 4579 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_106832991635_100000182995 [0,1,0,0,0,1|1,0,1]=4 4580 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 34a_100102657272_100000182995 [0,1,0,0,0,1|1,0,1]=4 4581 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 7a_106832991635_100000182995 [0,1,0,0,0,1|1,0,1]=4 4582 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_100000168492_200000210301 [0,1,0,0,0,1|1,0,1]=4 4583 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_106832991635_100000183335 [0,1,0,0,0,1|1,0,1]=4 4584 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100000168492_200000210301 [0,1,0,0,0,1|1,0,1]=4 4585 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100102657272_100000183335 [0,1,0,0,0,1|1,0,1]=4 4586 B13R1.20 CNCC(=O)Nc1cccc(c1)F 7a_106832991635_100000183335 [0,1,0,0,0,1|1,0,1]=4 4587 B13R1.20 CNCC(=O)Nc1cccc(c1)O 2230a_106832991635_100011236192 [0,1,0,0,0,1|1,0,1]=4 4588 B13R1.20 CNCC(=O)Nc1cccc(c1)O 34a_100102657272_100011236192 [0,1,0,0,0,1|1,0,1]=4 4589 B13R1.20 CNCC(=O)Nc1cccc(c1)O 7a_106832991635_100011236192 [0,1,0,0,0,1|1,0,1]=4 4590 B13R1.20 COCC(C)Nc1cccc(c1)Br 34a_100000210019_100000765312 [0,1,0,0,0,1|1,0,0]=3 4591 B13R1.20 COCC(C)Nc1cccc(c1)C 2230a_100000188690_100000765312 [0,1,0,0,0,1|1,0,0]=3 4592 B13R1.20 COCC(C)Nc1cccc(c1)C 34a_100000188690_100000765312 [0,1,0,0,0,1|1,0,0]=3 4593 B13R1.20 COCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000765312 [0,1,0,0,0,1|1,0,0]=3 4594 B13R1.20 COCC(C)Nc1cccc(c1)F 34a_100000210047_100000765312 [0,1,0,0,0,1|1,0,0]=3 4595 B13R1.20 COCC(C)Nc1cccc(c1)I 34a_100000211102_100000765312 [0,1,0,0,0,1|1,0,0]=3 4596 B13R1.20 COCC(C)Nc1cccc(c1)O 34a_100000210217_100000765312 [0,1,0,0,0,1|1,0,0]=3 4597 B13R1.20 COCC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100000765312 [0,1,0,0,0,1|2,0,0]=4 4598 B13R1.20 COCC(C)Oc1ccc[n+](c1)[O-] 34a_100000039713_100000765312 [0,1,0,0,0,1|2,0,0]=4 4599 B13R1.20 COCC(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000765312 [0,1,0,0,0,1|2,0,0]=4 4600 B13R1.20 COCC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100000765312 [0,1,0,0,0,1|2,0,0]=4 4601 B13R1.20 COCC(C)Oc1cccc(c1)Br 34a_100000210342_100000765312 [0,1,0,0,0,1|1,0,0]=3 4602 B13R1.20 COCC(C)Oc1cccc(c1)Br 7a_100000210342_100000765312 [0,1,0,0,0,1|1,0,0]=3 4603 B13R1.20 COCC(C)Oc1cccc(c1)C 34a_100000210337_100000765312 [0,1,0,0,0,1|1,0,0]=3 4604 B13R1.20 COCC(C)Oc1cccc(c1)C 7a_100000210337_100000765312 [0,1,0,0,0,1|1,0,0]=3 4605 B13R1.20 COCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000765312 [0,1,0,0,0,1|1,0,0]=3 4606 B13R1.20 COCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000765312 [0,1,0,0,0,1|1,0,0]=3 4607 B13R1.20 COCC(C)Oc1cccc(c1)F 34a_100000210426_100000765312 [0,1,0,0,0,1|1,0,0]=3 4608 B13R1.20 COCC(C)Oc1cccc(c1)F 7a_100000210426_100000765312 [0,1,0,0,0,1|1,0,0]=3 4609 B13R1.20 COCC(C)Oc1cccc(c1)I 34a_100000211634_100000765312 [0,1,0,0,0,1|1,0,0]=3 4610 B13R1.20 COCC(C)Oc1cccc(c1)I 7a_100000211634_100000765312 [0,1,0,0,0,1|1,0,0]=3 4611 B13R1.20 COCC(C)Oc1cccc(c1)N 34a_100000210217_100000765312 [0,1,0,0,0,1|1,0,0]=3 4612 B13R1.20 COCC(C)Oc1cccc(n1)F 34a_100011432558_100000765312 [0,1,0,0,0,1|2,0,0]=4 4613 B13R1.20 COCC(C)Oc1ccnc(c1)C 34a_100000688365_100000765312 [0,1,0,0,0,1|2,0,0]=4 4614 B13R1.20 COCC(C)Oc1ccnc(c1)Cl 34a_100000762945_100000765312 [0,1,0,0,0,1|2,0,0]=4 4615 B13R1.20 COCC(C)Oc1ccnc(c1)F 34a_100000732698_100000765312 [0,1,0,0,0,1|2,0,0]=4 4616 B13R1.20 COCC(C)Oc1ccnc(c1)N 34a_100011834064_100000765312 [0,1,0,0,0,1|2,0,0]=4 4617 B13R1.20 COCC(C)Oc1cncc(c1)Br 34a_100000754920_100000765312 [0,1,0,0,0,1|2,0,0]=4 4618 B13R1.20 COCC(C)Oc1cncc(c1)Br 7a_100000754920_100000765312 [0,1,0,0,0,1|2,0,0]=4 4619 B13R1.20 COCC(C)Oc1cncc(c1)C 34a_100011830280_100000765312 [0,1,0,0,0,1|2,0,0]=4 4620 B13R1.20 COCC(C)Oc1cncc(c1)C 7a_100011830280_100000765312 [0,1,0,0,0,1|2,0,0]=4 4621 B13R1.20 COCC(C)Oc1cncc(c1)Cl 7a_100000032511_100000765312 [0,1,0,0,0,1|2,0,0]=4 4622 B13R1.20 COCC(C)Oc1cncc(c1)F 34a_100011830296_100000765312 [0,1,0,0,0,1|2,0,0]=4 4623 B13R1.20 COCC(C)Oc1cncc(c1)F 7a_100011830296_100000765312 [0,1,0,0,0,1|2,0,0]=4 4624 B13R1.20 COCC(C)Oc1cncc(c1)N 34a_100011997051_100000765312 [0,1,0,0,0,1|2,0,0]=4 4625 B13R1.20 COCC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000765312 [0,1,0,0,0,1|2,0,0]=4 4626 B13R1.20 COCC(C)Sc1cc(ccn1)C 62a_100000750283_100000765312 [0,1,0,0,0,1|2,0,0]=4 4627 B13R1.20 COCC(C)Sc1cc(ccn1)C 62a_100000765312_100000750283 [0,1,0,0,0,1|2,0,0]=4 4628 B13R1.20 COCC(C)Sc1cc(ccn1)Cl 62a_100000765312_100010167805 [0,1,0,0,0,1|2,0,0]=4 4629 B13R1.20 COCC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000765312 [0,1,0,0,0,1|2,0,0]=4 4630 B13R1.20 COCC(C)Sc1cc(ccn1)F 62a_100000764206_100000765312 [0,1,0,0,0,1|2,0,0]=4 4631 B13R1.20 COCC(C)Sc1cc(ccn1)F 62a_100000765312_100000764206 [0,1,0,0,0,1|2,0,0]=4 4632 B13R1.20 COCC(C)Sc1cc(ccn1)N 62a_100000765312_100009814236 [0,1,0,0,0,1|2,0,0]=4 4633 B13R1.20 COCC(C)Sc1cc(ccn1)N 62a_100009814236_100000765312 [0,1,0,0,0,1|2,0,0]=4 4634 B13R1.20 COCC(C)Sc1cc(ccn1)O 62a_100000765312_100000762945 [0,1,0,0,0,1|2,0,0]=4 4635 B13R1.20 COCC(C)Sc1cc[nH]c(=O)c1 62a_100000765312_100009816521 [0,1,0,0,0,1|2,0,0]=4 4636 B13R1.20 COCC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100000765312 [0,1,0,0,0,1|2,0,0]=4 4637 B13R1.20 COCC(C)Sc1ccc[n+](c1)C 62a_100000765312_100009996589 [0,1,0,0,0,1|2,0,0]=4 4638 B13R1.20 COCC(C)Sc1ccc[n+](c1)C 62a_100009996589_100000765312 [0,1,0,0,0,1|2,0,0]=4 4639 B13R1.20 COCC(C)Sc1ccc[n+](c1)[O-] 62a_100000765312_100009815978 [0,1,0,0,0,1|2,0,0]=4 4640 B13R1.20 COCC(C)Sc1cccc(=O)[nH]1 62a_100000765312_100000752884 [0,1,0,0,0,1|2,0,0]=4 4641 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000691529_100000765312 [0,1,0,0,0,1|1,0,0]=3 4642 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000765312_100000691529 [0,1,0,0,0,1|1,0,0]=3 4643 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100000765312_100011215228 [0,1,0,0,0,1|1,0,0]=3 4644 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100011215228_100000765312 [0,1,0,0,0,1|1,0,0]=3 4645 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000765312 [0,1,0,0,0,1|1,0,0]=3 4646 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000765312_100000699651 [0,1,0,0,0,1|1,0,0]=3 4647 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000685547_100000765312 [0,1,0,0,0,1|1,0,0]=3 4648 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000765312_100000685547 [0,1,0,0,0,1|1,0,0]=3 4649 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000210019_100000765312 [0,1,0,0,0,1|1,0,0]=3 4650 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000765312_100000210019 [0,1,0,0,0,1|1,0,0]=3 4651 B13R1.20 COCC(C)Sc1cccc(c1)O 62a_100000765312_100000211634 [0,1,0,0,0,1|1,0,0]=3 4652 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_100000765312_114929384022 [0,1,0,0,0,1|1,0,0]=3 4653 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000765312 [0,1,0,0,0,1|1,0,0]=3 4654 B13R1.20 COCC(C)Sc1cccc(n1)Br 62a_100000684672_100000765312 [0,1,0,0,0,1|2,0,0]=4 4655 B13R1.20 COCC(C)Sc1cccc(n1)Br 62a_100000765312_100000684672 [0,1,0,0,0,1|2,0,0]=4 4656 B13R1.20 COCC(C)Sc1cccc(n1)C 62a_100000742759_100000765312 [0,1,0,0,0,1|2,0,0]=4 4657 B13R1.20 COCC(C)Sc1cccc(n1)C 62a_100000765312_100000742759 [0,1,0,0,0,1|2,0,0]=4 4658 B13R1.20 COCC(C)Sc1cccc(n1)Cl 62a_100000051397_100000765312 [0,1,0,0,0,1|2,0,0]=4 4659 B13R1.20 COCC(C)Sc1cccc(n1)Cl 62a_100000765312_100000051397 [0,1,0,0,0,1|2,0,0]=4 4660 B13R1.20 COCC(C)Sc1cccc(n1)F 62a_100000765312_100009815982 [0,1,0,0,0,1|2,0,0]=4 4661 B13R1.20 COCC(C)Sc1cccc(n1)F 62a_100009815982_100000765312 [0,1,0,0,0,1|2,0,0]=4 4662 B13R1.20 COCC(C)Sc1cccc(n1)N 62a_100000740741_100000765312 [0,1,0,0,0,1|2,0,0]=4 4663 B13R1.20 COCC(C)Sc1cccc(n1)N 62a_100000765312_100000740741 [0,1,0,0,0,1|2,0,0]=4 4664 B13R1.20 COCC(C)Sc1ccnc(c1)Br 62a_100000765312_100009814637 [0,1,0,0,0,1|2,0,0]=4 4665 B13R1.20 COCC(C)Sc1ccnc(c1)Br 62a_100009814637_100000765312 [0,1,0,0,0,1|2,0,0]=4 4666 B13R1.20 COCC(C)Sc1ccnc(c1)C 62a_100000758586_100000765312 [0,1,0,0,0,1|2,0,0]=4 4667 B13R1.20 COCC(C)Sc1ccnc(c1)C 62a_100000765312_100000758586 [0,1,0,0,0,1|2,0,0]=4 4668 B13R1.20 COCC(C)Sc1ccnc(c1)Cl 62a_100000035001_100000765312 [0,1,0,0,0,1|2,0,0]=4 4669 B13R1.20 COCC(C)Sc1ccnc(c1)Cl 62a_100000765312_100000035001 [0,1,0,0,0,1|2,0,0]=4 4670 B13R1.20 COCC(C)Sc1ccnc(c1)F 62a_100000765312_100009816116 [0,1,0,0,0,1|2,0,0]=4 4671 B13R1.20 COCC(C)Sc1ccnc(c1)F 62a_100009816116_100000765312 [0,1,0,0,0,1|2,0,0]=4 4672 B13R1.20 COCC(C)Sc1ccnc(c1)N 62a_100000049665_100000765312 [0,1,0,0,0,1|2,0,0]=4 4673 B13R1.20 COCC(C)Sc1ccnc(c1)N 62a_100000765312_100000049665 [0,1,0,0,0,1|2,0,0]=4 4674 B13R1.20 COCC(C)Sc1cncc(c1)Br 62a_100000728054_100000765312 [0,1,0,0,0,1|2,0,0]=4 4675 B13R1.20 COCC(C)Sc1cncc(c1)Br 62a_100000765312_100000728054 [0,1,0,0,0,1|2,0,0]=4 4676 B13R1.20 COCC(C)Sc1cncc(c1)C 62a_100000760492_100000765312 [0,1,0,0,0,1|2,0,0]=4 4677 B13R1.20 COCC(C)Sc1cncc(c1)C 62a_100000765312_100000760492 [0,1,0,0,0,1|2,0,0]=4 4678 B13R1.20 COCC(C)Sc1cncc(c1)Cl 62a_100000049639_100000765312 [0,1,0,0,0,1|2,0,0]=4 4679 B13R1.20 COCC(C)Sc1cncc(c1)Cl 62a_100000765312_100000049639 [0,1,0,0,0,1|2,0,0]=4 4680 B13R1.20 COCC(C)Sc1cncc(c1)F 62a_100000744099_100000765312 [0,1,0,0,0,1|2,0,0]=4 4681 B13R1.20 COCC(C)Sc1cncc(c1)F 62a_100000765312_100000744099 [0,1,0,0,0,1|2,0,0]=4 4682 B13R1.20 COCC(C)Sc1cncc(c1)N 62a_100000687067_100000765312 [0,1,0,0,0,1|2,0,0]=4 4683 B13R1.20 COCC(C)Sc1cncc(c1)N 62a_100000765312_100000687067 [0,1,0,0,0,1|2,0,0]=4 4684 B13R1.20 COCC(C)Sc1cncc(c1)O 62a_100000754920_100000765312 [0,1,0,0,0,1|2,0,0]=4 4685 B13R1.20 COCC(C)Sc1cncc(c1)O 62a_100000765312_100000754920 [0,1,0,0,0,1|2,0,0]=4 4686 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,1,0,0,0,1|2,0,0]=4 4687 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,1,0,0,0,1|2,0,0]=4 4688 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,1,0,0,0,1|2,0,0]=4 4689 B13R1.20 COCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000766300 [0,1,0,0,0,1|2,0,0]=4 4690 B13R1.20 COCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000766300 [0,1,0,0,0,1|2,0,0]=4 4691 B13R1.20 COCN(C)Cc1cccc(c1)C 2230a_102495364743_100000766300 [0,1,0,0,0,1|2,0,0]=4 4692 B13R1.20 COCN(C)Cc1cccc(c1)C 269982a_102495364743_100000766300 [0,1,0,0,0,1|2,0,0]=4 4693 B13R1.20 COCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000766300 [0,1,0,0,0,1|2,0,0]=4 4694 B13R1.20 COCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000766300 [0,1,0,0,0,1|2,0,0]=4 4695 B13R1.20 COCN(C)Cc1cccc(c1)F 2230a_100000184398_100000766300 [0,1,0,0,0,1|2,0,0]=4 4696 B13R1.20 COCN(C)Cc1cccc(c1)F 269982a_100000184398_100000766300 [0,1,0,0,0,1|2,0,0]=4 4697 B13R1.20 COCN(C)Cc1cccc(c1)O 2230a_100000207540_100000766300 [0,1,0,0,0,1|2,0,0]=4 4698 B13R1.20 COCN(C)Cc1cccc(c1)O 269982a_100000207540_100000766300 [0,1,0,0,0,1|2,0,0]=4 4699 B13R1.20 COC[C@@H](C)Nc1cc(ccn1)F 27a_100000764878_100000764206 [0,1,0,0,0,1|2,0,0]=4 4700 B13R1.20 COC[C@@H](C)Nc1cc[nH]c(=O)c1 27a_100000764878_100000061649 [0,1,0,0,0,1|2,0,0]=4 4701 B13R1.20 COC[C@@H](C)Nc1cccc(n1)F 27a_100000764878_100009815982 [0,1,0,0,0,1|2,0,0]=4 4702 B13R1.20 COC[C@@H](C)Nc1ccnc(c1)C 27a_100000764878_100000758586 [0,1,0,0,0,1|2,0,0]=4 4703 B13R1.20 COC[C@@H](C)Nc1ccnc(c1)F 27a_100000764878_100009816116 [0,1,0,0,0,1|2,0,0]=4 4704 B13R1.20 CSCN(C)Cc1cccc(c1)Br 2230a_100000187585_100011218213 [0,1,0,0,0,1|2,0,0]=4 4705 B13R1.20 CSCN(C)Cc1cccc(c1)Br 269982a_100000187585_100011218213 [0,1,0,0,0,1|2,0,0]=4 4706 B13R1.20 CSCN(C)Cc1cccc(c1)C 2230a_102495364743_100011218213 [0,1,0,0,0,1|2,0,0]=4 4707 B13R1.20 CSCN(C)Cc1cccc(c1)C 269982a_102495364743_100011218213 [0,1,0,0,0,1|2,0,0]=4 4708 B13R1.20 CSCN(C)Cc1cccc(c1)C 34a_102495364743_100011218213 [0,1,0,0,0,1|2,0,0]=4 4709 B13R1.20 CSCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100011218213 [0,1,0,0,0,1|2,0,0]=4 4710 B13R1.20 CSCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100011218213 [0,1,0,0,0,1|2,0,0]=4 4711 B13R1.20 CSCN(C)Cc1cccc(c1)F 2230a_100000184398_100011218213 [0,1,0,0,0,1|2,0,0]=4 4712 B13R1.20 CSCN(C)Cc1cccc(c1)F 269982a_100000184398_100011218213 [0,1,0,0,0,1|2,0,0]=4 4713 B13R1.20 CSCN(C)Cc1cccc(c1)F 34a_100000184398_100011218213 [0,1,0,0,0,1|2,0,0]=4 4714 B13R1.20 CSCN(C)Cc1cccc(c1)O 2230a_100000207540_100011218213 [0,1,0,0,0,1|2,0,0]=4 4715 B13R1.20 CSCN(C)Cc1cccc(c1)O 269982a_100000207540_100011218213 [0,1,0,0,0,1|2,0,0]=4 4716 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [0,1,0,0,0,1|2,0,0]=4 4717 B13R1.20 Cc1cccc(c1)NC(C)CC#N 2230a_100000188690_100009813641 [0,1,0,0,0,1|2,0,0]=4 4718 B13R1.20 Cc1cccc(c1)NC(C)CCO 2230a_100000188690_100009893172 [0,1,0,0,0,1|2,0,0]=4 4719 B13R1.20 Cc1cccc(c1)NC(C)CCO 34a_100000188690_100009893172 [0,1,0,0,0,1|2,0,0]=4 4720 B13R1.20 Cc1cccc(c1)OC(C)CC#N 7a_100000210337_100009813641 [0,1,0,0,0,1|2,0,0]=4 4721 B13R1.20 Cc1cccc(c1)OC(C)CCO 34a_100000210337_100009893172 [0,1,0,0,0,1|2,0,0]=4 4722 B13R1.20 Cc1cccc(c1)OC(C)CCO 7a_100000210337_100009893172 [0,1,0,0,0,1|2,0,0]=4 4723 B13R1.20 Cc1cccc(c1)SC(C)CC#N 62a_100009813641_100011215228 [0,1,0,0,0,1|2,0,0]=4 4724 B13R1.20 Cc1cccc(c1)SC(C)CC#N 62a_100011215228_100009813641 [0,1,0,0,0,1|2,0,0]=4 4725 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100009893172_100011215228 [0,1,0,0,0,1|2,0,0]=4 4726 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100011215228_100009893172 [0,1,0,0,0,1|2,0,0]=4 4727 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200025704644 [0,1,0,0,0,1|1,0,1]=4 4728 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 2230a_100000168492_200025704644 [0,1,0,0,0,1|1,0,1]=4 4729 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 34a_100000168492_200025704644 [0,1,0,0,0,1|1,0,1]=4 4730 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,1,0,0,0,1|2,0,0]=4 4731 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,1,0,0,0,1|2,0,0]=4 4732 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [0,1,0,0,0,1|1,0,1]=4 4733 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,1,0,0,0,1|1,0,1]=4 4734 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,1,0,0,0,1|1,0,1]=4 4735 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,1,0,0,0,1|1,0,1]=4 4736 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [0,1,0,0,0,1|1,0,1]=4 4737 B13R1.44 C/C(=C\c1ccccc1)/COCF 34a_200025717232_100015361967 [0,1,0,0,0,1|1,0,1]=4 4738 B13R1.44 C/C(=C\c1ccccc1)/COCF 7a_200025717232_100015361967 [0,1,0,0,0,1|1,0,1]=4 4739 B13R1.44 C/C=C/CN(C)Cc1ccccc1 269982a_100000186898_100102629194 [0,1,0,0,0,1|2,0,0]=4 4740 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,1,0,0,0,1|1,0,1]=4 4741 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,1,0,0,0,1|1,0,1]=4 4742 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,1,0,0,0,1|1,0,1]=4 4743 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [0,1,0,0,0,1|1,0,1]=4 4744 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [0,1,0,0,0,1|1,0,1]=4 4745 B13R1.44 CC#CCN(C)Cc1ccccc1 2230a_100000186898_100000748600 [0,1,0,0,0,1|2,0,0]=4 4746 B13R1.44 CC(CNCF)Oc1ccccc1 34a_100000755676_100015361967 [0,1,0,0,0,1|0,0,0]=2 4747 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,1,0,0,0,1|1,0,0]=3 4748 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,1,0,0,0,1|1,0,0]=3 4749 B13R1.44 CC(COCF)Oc1ccccc1 34a_200000036796_100015361967 [0,1,0,0,0,1|1,0,0]=3 4750 B13R1.44 CC(COCF)Oc1ccccc1 7a_200000036796_100015361967 [0,1,0,0,0,1|1,0,0]=3 4751 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,1,0,0,0,1|2,0,0]=4 4752 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,1,0,0,0,1|2,0,0]=4 4753 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,1,0,0,0,1|2,0,0]=4 4754 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,1,0,0,0,1|2,0,0]=4 4755 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,1,0,0,0,1|2,0,0]=4 4756 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,1,0,0,0,1|2,0,0]=4 4757 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,1,0,0,0,1|2,0,0]=4 4758 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,1,0,0,0,1|2,0,0]=4 4759 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,1,0,0,0,1|2,0,0]=4 4760 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,1,0,0,0,1|2,0,0]=4 4761 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,1,0,0,0,1|2,0,0]=4 4762 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [0,1,0,0,0,1|2,0,0]=4 4763 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [0,1,0,0,0,1|2,0,0]=4 4764 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [0,1,0,0,0,1|2,0,0]=4 4765 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [0,1,0,0,0,1|2,0,0]=4 4766 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,1,0,0,0,1|2,0,0]=4 4767 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,1,0,0,0,1|2,0,0]=4 4768 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,1,0,0,0,1|2,0,0]=4 4769 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,1,0,0,0,1|2,0,0]=4 4770 B13R1.44 CC=CCN(C)Cc1ccccc1 2230a_100000186898_100000070051 [0,1,0,0,0,1|2,0,0]=4 4771 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,1,0,0,0,1|1,0,0]=3 4772 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,1,0,0,0,1|1,0,0]=3 4773 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,1,0,0,0,1|1,0,0]=3 4774 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [0,1,0,0,0,1|2,0,0]=4 4775 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [0,1,0,0,0,1|2,0,0]=4 4776 B13R1.44 CCCCC(C)Oc1ccncc1 34a_100000212176_200011215066 [0,1,0,0,0,1|2,0,0]=4 4777 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,1,0,0,0,1|1,0,0]=3 4778 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,1,0,0,0,1|1,0,0]=3 4779 B13R1.44 CCCCC(C)Sc1ccccn1 62a_100011216584_200011215066 [0,1,0,0,0,1|2,0,0]=4 4780 B13R1.44 CCCCC(C)Sc1ccccn1 62a_200011215066_100011216584 [0,1,0,0,0,1|2,0,0]=4 4781 B13R1.44 CCCCC(C)Sc1cccnc1 62a_100000210063_200011215066 [0,1,0,0,0,1|2,0,0]=4 4782 B13R1.44 CCCCC(C)Sc1cccnc1 62a_200011215066_100000210063 [0,1,0,0,0,1|2,0,0]=4 4783 B13R1.44 CCCCC(C)Sc1ccncc1 62a_100000728582_200011215066 [0,1,0,0,0,1|2,0,0]=4 4784 B13R1.44 CCCCC(C)Sc1ccncc1 62a_200011215066_100000728582 [0,1,0,0,0,1|2,0,0]=4 4785 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,1,0,0,0,1|2,0,0]=4 4786 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,1,0,0,0,1|2,0,0]=4 4787 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,1,0,0,0,1|2,0,0]=4 4788 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,1,0,0,0,1|2,0,0]=4 4789 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,1,0,0,0,1|2,0,0]=4 4790 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,1,0,0,0,1|2,0,0]=4 4791 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,1,0,0,0,1|2,0,0]=4 4792 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,1,0,0,0,1|2,0,0]=4 4793 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,1,0,0,0,1|2,0,0]=4 4794 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [0,1,0,0,0,1|2,0,0]=4 4795 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,1,0,0,0,1|2,0,0]=4 4796 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,1,0,0,0,1|2,0,0]=4 4797 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,1,0,0,0,1|2,0,0]=4 4798 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [0,1,0,0,0,1|2,0,0]=4 4799 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,1,0,0,0,1|1,0,0]=3 4800 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,1,0,0,0,1|1,0,0]=3 4801 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,1,0,0,0,1|1,0,0]=3 4802 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,1,0,0,0,1|1,0,0]=3 4803 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,1,0,0,0,1|1,0,0]=3 4804 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,1,0,0,0,1|1,0,1]=4 4805 B13R1.44 CCNCC(=O)Nc1ccccc1 2230a_100015525214_100000182850 [0,1,0,0,0,1|1,0,1]=4 4806 B13R1.44 CCNCC(=O)Oc1ccccc1 2230a_100015525214_100009813826 [0,1,0,0,0,1|1,0,1]=4 4807 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,1,0,0,0,1|0,0,0]=2 4808 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,1,0,0,0,1|0,0,0]=2 4809 B13R1.44 CCNCC(C)Oc1cccnc1 2230a_200011219418_100000210202 [0,1,0,0,0,1|1,0,0]=3 4810 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,1,0,0,0,1|1,0,0]=3 4811 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,1,0,0,0,1|1,0,0]=3 4812 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [0,1,0,0,0,1|1,0,1]=4 4813 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [0,1,0,0,0,1|1,0,1]=4 4814 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,1,0,0,0,1|1,0,0]=3 4815 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,1,0,0,0,1|1,0,0]=3 4816 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,1,0,0,0,1|1,0,0]=3 4817 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,1,0,0,0,1|1,0,0]=3 4818 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,1,0,0,0,1|2,0,0]=4 4819 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,1,0,0,0,1|2,0,0]=4 4820 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,1,0,0,0,1|2,0,0]=4 4821 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,1,0,0,0,1|2,0,0]=4 4822 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,1,0,0,0,1|2,0,0]=4 4823 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [0,1,0,0,0,1|2,0,0]=4 4824 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [0,1,0,0,0,1|2,0,0]=4 4825 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [0,1,0,0,0,1|2,0,0]=4 4826 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [0,1,0,0,0,1|2,0,0]=4 4827 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [0,1,0,0,0,1|2,0,0]=4 4828 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [0,1,0,0,0,1|2,0,0]=4 4829 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [0,1,0,0,0,1|2,0,0]=4 4830 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [0,1,0,0,0,1|2,0,0]=4 4831 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [0,1,0,0,0,1|2,0,0]=4 4832 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [0,1,0,0,0,1|2,0,0]=4 4833 B13R1.44 CNCCC(=O)Nc1ccccc1 2230a_106832991635_100000242058 [0,1,0,0,0,1|1,0,1]=4 4834 B13R1.44 CNCCC(=O)Nc1ccccc1 34a_100102657272_100000242058 [0,1,0,0,0,1|1,0,1]=4 4835 B13R1.44 CNCCC(=O)Nc1ccccc1 7a_106832991635_100000242058 [0,1,0,0,0,1|1,0,1]=4 4836 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [0,1,0,0,0,1|1,0,1]=4 4837 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [0,1,0,0,0,1|1,0,1]=4 4838 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [0,1,0,0,0,1|1,0,0]=3 4839 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [0,1,0,0,0,1|1,0,0]=3 4840 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [0,1,0,0,0,1|1,0,0]=3 4841 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,1,0,0,0,1|2,0,0]=4 4842 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,1,0,0,0,1|2,0,0]=4 4843 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,1,0,0,0,1|2,0,0]=4 4844 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,1,0,0,0,1|2,0,0]=4 4845 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,1,0,0,0,1|2,0,0]=4 4846 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,1,0,0,0,1|2,0,0]=4 4847 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [0,1,0,0,0,1|2,0,0]=4 4848 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [0,1,0,0,0,1|2,0,0]=4 4849 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,1,0,0,0,1|1,0,0]=3 4850 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,1,0,0,0,1|1,0,0]=3 4851 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [0,1,0,0,0,1|2,0,0]=4 4852 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [0,1,0,0,0,1|2,0,0]=4 4853 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [0,1,0,0,0,1|2,0,0]=4 4854 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [0,1,0,0,0,1|2,0,0]=4 4855 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [0,1,0,0,0,1|2,0,0]=4 4856 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [0,1,0,0,0,1|2,0,0]=4 4857 B13R1.44 CSCNC(C)Cc1ccccn1 2230a_100000238496_100011218213 [0,1,0,0,0,1|2,0,0]=4 4858 B13R1.44 CSCNC(C)Cc1cccnc1 2230a_100011207255_100011218213 [0,1,0,0,0,1|2,0,0]=4 4859 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,1,0,0,0,1|1,0,0]=3 4860 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,1,0,0,0,1|1,0,0]=3 4861 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,1,0,0,0,1|1,0,0]=3 4862 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,1,0,0,0,1|2,0,0]=4 4863 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [0,1,0,0,0,1|2,0,0]=4 4864 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [0,1,0,0,0,1|2,0,0]=4 4865 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [0,1,0,0,0,1|2,0,0]=4 4866 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [0,1,0,0,0,1|2,0,0]=4 4867 B13R1.47 CC(CC#N)C(=O)c1ccccc1 1458a_100000185807_100009813641 [0,1,0,0,0,1|2,0,0]=4 4868 B13R1.47 CC(CC#N)N(C)c1ccccc1 2230a_100000210012_100009813641 [0,1,0,0,0,1|2,0,0]=4 4869 B13R1.47 CC(CC#N)N(C)c1ccccc1 269982a_100000210012_100009813641 [0,1,0,0,0,1|2,0,0]=4 4870 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,1,0,0,0,1|2,0,0]=4 4871 B13R1.47 CC(CCO)N(C)c1ccccc1 2230a_100000210012_100009893172 [0,1,0,0,0,1|2,0,0]=4 4872 B13R1.47 CC(CCO)N(C)c1ccccc1 269982a_100000210012_100009893172 [0,1,0,0,0,1|2,0,0]=4 4873 B13R1.47 CC(CCO)N(C)c1ccccc1 34a_100000210012_100009893172 [0,1,0,0,0,1|2,0,0]=4 4874 B13R1.47 CC(CN[13CH3])N(C)c1ccccc1 2230a_100000245588_200025704644 [0,1,0,0,0,1|0,0,0]=2 4875 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,1,0,0,0,1|1,0,0]=3 4876 B13R1.47 CCCC(C)N(C)c1ccccc1 2230a_100000210012_100000766640 [0,1,0,0,0,1|1,0,0]=3 4877 B13R1.47 CCCC(C)N(C)c1ccccc1 269982a_100000210012_100000766640 [0,1,0,0,0,1|1,0,0]=3 4878 B13R1.47 CCCC(C)N(C)c1ccccc1 34a_100000210012_100000766640 [0,1,0,0,0,1|1,0,0]=3 4879 B13R1.47 CCCN(C)C(=O)c1ccccc1 11a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 4880 B13R1.47 CCCN(C)C(=O)c1ccccc1 1626a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 4881 B13R1.47 CCCN(C)C(=O)c1ccccc1 240690a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 4882 B13R1.47 CCCN(C)C(=O)c1ccccc1 527a_100000747261_100000185807 [0,1,0,0,0,1|2,0,0]=4 4883 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,1,0,0,0,1|2,0,0]=4 4884 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,1,0,0,0,1|2,0,0]=4 4885 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,1,0,0,0,1|2,0,0]=4 4886 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,1,0,0,0,1|2,0,0]=4 4887 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,1,0,0,0,1|2,0,0]=4 4888 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,1,0,0,0,1|2,0,0]=4 4889 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,1,0,0,0,1|2,0,0]=4 4890 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,1,0,0,0,1|2,0,0]=4 4891 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,1,0,0,0,1|2,0,0]=4 4892 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,1,0,0,0,1|2,0,0]=4 4893 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000210202_100000239700 [0,1,0,0,0,1|2,0,0]=4 4894 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210202 [0,1,0,0,0,1|2,0,0]=4 4895 B13R1.47 CN(C(=O)CN[13CH3])c1ccccc1 2230a_200000174886_200025704644 [0,1,0,0,0,1|1,0,1]=4 4896 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_106832991635_100000183487 [0,1,0,0,0,1|1,0,1]=4 4897 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_200000174886_200000210301 [0,1,0,0,0,1|1,0,1]=4 4898 B13R1.47 CNCC(=O)N(C)c1ccccc1 34a_100102657272_100000183487 [0,1,0,0,0,1|1,0,1]=4 4899 B13R1.47 CNCC(=O)N(C)c1ccccc1 7a_106832991635_100000183487 [0,1,0,0,0,1|1,0,1]=4 4900 B13R1.47 CNCC(C)N(C)c1ccccc1 2230a_100000245588_200000210301 [0,1,0,0,0,1|0,0,0]=2 4901 B13R1.47 COCC(C)C(=O)c1ccccc1 1458a_100000185807_100000765312 [0,1,0,0,0,1|1,0,0]=3 4902 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100000210012_100000765312 [0,1,0,0,0,1|1,0,0]=3 4903 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100011695367_200000210301 [0,1,0,0,0,1|1,0,0]=3 4904 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100000210012_100000765312 [0,1,0,0,0,1|1,0,0]=3 4905 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100011695367_200000210301 [0,1,0,0,0,1|1,0,0]=3 4906 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100000210012_100000765312 [0,1,0,0,0,1|1,0,0]=3 4907 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100011695367_200000210301 [0,1,0,0,0,1|1,0,0]=3 4908 B13R1.47 COCC(C)N([13CH3])c1ccccc1 2230a_100011695367_200025704644 [0,1,0,0,0,1|1,0,0]=3 4909 B13R1.47 COCC(C)N([13CH3])c1ccccc1 269982a_100011695367_200025704644 [0,1,0,0,0,1|1,0,0]=3 4910 B13R1.47 COCC(C)N([13CH3])c1ccccc1 34a_100011695367_200025704644 [0,1,0,0,0,1|1,0,0]=3 4911 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,1,0,0,0,1|2,0,0]=4 4912 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,1,0,0,0,1|2,0,0]=4 4913 B13R1.47 CSCN(C)C(C)c1ccccc1 2230a_100000195388_100011218213 [0,1,0,0,0,1|2,0,0]=4 4914 B13R1.47 CSCN(C)C(C)c1ccccc1 269982a_100000195388_100011218213 [0,1,0,0,0,1|2,0,0]=4 4915 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,1,0,0,0,1|1,0,0]=3 4916 B13R1.79 CCCC(CC)Oc1cccnc1 7a_100000210849_100011219200 [0,1,0,0,0,1|2,0,0]=4 4917 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,1,0,0,0,1|1,0,0]=3 4918 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,1,0,0,0,1|1,0,0]=3 4919 B13R1.79 CCCC(CC)Sc1ccccn1 62a_100011216584_100011219200 [0,1,0,0,0,1|2,0,0]=4 4920 B13R1.79 CCCC(CC)Sc1ccccn1 62a_100011219200_100011216584 [0,1,0,0,0,1|2,0,0]=4 4921 B13R1.79 CCCC(CC)Sc1cccnc1 62a_100000210063_100011219200 [0,1,0,0,0,1|2,0,0]=4 4922 B13R1.79 CCCC(CC)Sc1cccnc1 62a_100011219200_100000210063 [0,1,0,0,0,1|2,0,0]=4 4923 B13R1.79 CCCC(CC)Sc1ccncc1 62a_100000728582_100011219200 [0,1,0,0,0,1|2,0,0]=4 4924 B13R1.79 CCCC(CC)Sc1ccncc1 62a_100011219200_100000728582 [0,1,0,0,0,1|2,0,0]=4 4925 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000184400_100000210202 [0,1,0,0,0,1|2,0,0]=4 4926 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000186914_100000210303 [0,1,0,0,0,1|2,0,0]=4 4927 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000226822_100015291786 [0,1,0,0,0,1|2,0,0]=4 4928 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000184400_100000204670 [0,1,0,0,0,1|2,0,0]=4 4929 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000186914_100000210303 [0,1,0,0,0,1|2,0,0]=4 4930 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000226822_100000211182 [0,1,0,0,0,1|2,0,0]=4 4931 B13R1.79 CCCN(CC)Cc1ccccc1 270004a_100000226822_100015611070 [0,1,0,0,0,1|2,0,0]=4 4932 B13R1.79 CCCN(CF)Cc1ccccc1 269982a_100000184400_100015361967 [0,1,0,0,0,1|2,0,0]=4 4933 B13R1.79 CCN(COC)Cc1ccccc1 2230a_100000186914_100000766300 [0,1,0,0,0,1|2,0,0]=4 4934 B13R1.79 CCN(COC)Cc1ccccc1 269982a_100000186914_100000766300 [0,1,0,0,0,1|2,0,0]=4 4935 B13R1.79 CCN(CSC)Cc1ccccc1 2230a_100000186914_100011218213 [0,1,0,0,0,1|2,0,0]=4 4936 B13R1.79 CCN(CSC)Cc1ccccc1 269982a_100000186914_100011218213 [0,1,0,0,0,1|2,0,0]=4 4937 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,1,0,0,0,1|2,0,0]=4 4938 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,1,0,0,0,1|2,0,0]=4 4939 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,1,0,0,0,1|2,0,0]=4 4940 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,1,0,0,0,1|2,0,0]=4 4941 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,1,0,0,0,1|2,0,0]=4 4942 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,1,0,0,0,1|1,0,0]=3 4943 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,1|0,0,0]=2 4944 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,1,0,0,0,1|1,0,0]=3 4945 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,1,0,0,0,1|1,0,0]=3 4946 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,1,0,0,0,1|1,0,1]=4 4947 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,1,0,0,0,1|1,0,1]=4 4948 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,1|1,0,0]=3 4949 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,1,0,0,0,1|1,0,0]=3 4950 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,1|0,0,0]=2 4951 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,1,0,0,0,1|1,0,1]=4 4952 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,1,0,0,0,1|1,0,1]=4 4953 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,1|1,0,0]=3 4954 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 2230a_100000754830_200025704644 [0,1,0,0,0,1|1,0,1]=4 4955 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 34a_100000754830_200025704644 [0,1,0,0,0,1|1,0,1]=4 4956 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,1,0,0,0,1|1,0,1]=4 4957 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,1,0,0,0,1|1,0,1]=4 4958 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [0,1,0,0,0,1|1,0,1]=4 4959 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [0,1,0,0,0,1|1,0,1]=4 4960 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [0,1,0,0,0,1|1,0,1]=4 4961 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [0,1,0,0,0,1|1,0,1]=4 4962 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [0,1,0,0,0,1|1,0,1]=4 4963 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,1,0,0,0,1|2,0,0]=4 4964 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,1,0,0,0,1|2,0,0]=4 4965 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,1,0,0,0,1|2,0,0]=4 4966 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,1,0,0,0,1|2,0,0]=4 4967 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,1,0,0,0,1|2,0,0]=4 4968 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,1,0,0,0,1|2,0,0]=4 4969 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,1,0,0,0,1|2,0,0]=4 4970 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,1,0,0,0,1|2,0,0]=4 4971 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,1,0,0,0,1|2,0,0]=4 4972 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,1,0,0,0,1|2,0,0]=4 4973 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,0,0,0,1|0,0,2]=4 4974 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,0,0,0,1|0,0,2]=4 4975 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,0,0,0,1|0,0,2]=4 4976 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,1|0,0,1]=3 4977 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,1|0,0,1]=3 4978 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,1|0,0,1]=3 4979 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,1|0,0,1]=3 4980 B13R1.135 CNC(=O)C(C)Cc1ccccn1 1626a_100102657272_100012000792 [0,1,0,0,0,1|1,0,1]=4 4981 B13R1.135 CNC(=O)C(C)Cc1ccccn1 240690a_100102657272_100012000792 [0,1,0,0,0,1|1,0,1]=4 4982 B13R1.135 CNC(=O)C(C)Cc1ccccn1 527a_100102657272_100012000792 [0,1,0,0,0,1|1,0,1]=4 4983 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,1,0,0,0,1|0,0,1]=3 4984 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,1,0,0,0,1|0,0,1]=3 4985 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,1,0,0,0,1|0,0,1]=3 4986 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,1,0,0,0,1|0,0,1]=3 4987 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,1,0,0,0,1|0,0,1]=3 4988 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,1,0,0,0,1|0,0,1]=3 4989 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,1,0,0,0,1|0,0,1]=3 4990 B13R1.135 CNC(=O)C(C)Oc1cccnc1 34a_100000210849_100000731044 [0,1,0,0,0,1|1,0,1]=4 4991 B13R1.135 CNC(=O)C(C)Oc1cccnc1 7a_100000210849_100000209862 [0,1,0,0,0,1|1,0,1]=4 4992 B13R1.135 CNC(=O)C(C)Oc1ccncc1 34a_100000212176_100000731044 [0,1,0,0,0,1|1,0,1]=4 4993 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,1,0,0,0,1|0,0,1]=3 4994 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,1,0,0,0,1|0,0,1]=3 4995 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,1,0,0,0,1|0,0,1]=3 4996 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,1,0,0,0,1|0,0,1]=3 4997 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,1,0,0,0,1|0,0,1]=3 4998 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,1,0,0,0,1|0,0,1]=3 4999 B13R1.135 CNC(=O)C(C)Sc1ccccn1 11a_106832991635_100000156770 [0,1,0,0,0,1|1,0,1]=4 5000 B13R1.135 CNC(=O)C(C)Sc1ccccn1 1626a_100102657272_100000156770 [0,1,0,0,0,1|1,0,1]=4 5001 B13R1.135 CNC(=O)C(C)Sc1ccccn1 240690a_100102657272_100000156770 [0,1,0,0,0,1|1,0,1]=4 5002 B13R1.135 CNC(=O)C(C)Sc1ccccn1 527a_100102657272_100000156770 [0,1,0,0,0,1|1,0,1]=4 5003 B13R1.135 CNC(=O)C(C)Sc1ccccn1 62a_100000209862_100011216584 [0,1,0,0,0,1|1,0,1]=4 5004 B13R1.135 CNC(=O)C(C)Sc1ccccn1 62a_100011216584_100000731044 [0,1,0,0,0,1|1,0,1]=4 5005 B13R1.135 CNC(=O)C(C)Sc1cccnc1 62a_100000209862_100000210063 [0,1,0,0,0,1|1,0,1]=4 5006 B13R1.135 CNC(=O)C(C)Sc1cccnc1 62a_100000210063_100000731044 [0,1,0,0,0,1|1,0,1]=4 5007 B13R1.135 CNC(=O)C(C)Sc1ccncc1 62a_100000209862_100000728582 [0,1,0,0,0,1|1,0,1]=4 5008 B13R1.135 CNC(=O)C(C)Sc1ccncc1 62a_100000728582_100000731044 [0,1,0,0,0,1|1,0,1]=4 5009 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,1,0,0,0,1|1,0,1]=4 5010 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,1,0,0,0,1|1,0,1]=4 5011 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,1,0,0,0,1|1,0,1]=4 5012 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,1,0,0,0,1|1,0,1]=4 5013 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,1,0,0,0,1|1,0,1]=4 5014 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,1,0,0,0,1|1,0,1]=4 5015 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,1,0,0,0,1|1,0,1]=4 5016 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,1|1,0,1]=4 5017 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_100000754830_200000210301 [0,1,0,0,0,1|1,0,1]=4 5018 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_106832991635_100000183986 [0,1,0,0,0,1|1,0,1]=4 5019 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100000754830_200000210301 [0,1,0,0,0,1|1,0,1]=4 5020 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100102657272_100000183986 [0,1,0,0,0,1|1,0,1]=4 5021 B13R1.135 CNC(C)C(=O)Nc1ccccc1 7a_106832991635_100000183986 [0,1,0,0,0,1|1,0,1]=4 5022 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,1,0,0,0,1|0,0,0]=2 5023 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,1,0,0,0,1|0,0,0]=2 5024 B13R1.135 CNC(C)C(C)Oc1ccccc1 270004a_106832991635_100000150574 [0,1,0,0,0,1|0,0,0]=2 5025 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,0,0,0,1|1,0,1]=4 5026 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,1,0,0,0,1|1,0,1]=4 5027 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,1,0,0,0,1|1,0,1]=4 5028 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,1,0,0,0,1|1,0,1]=4 5029 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,1,0,0,0,1|1,0,1]=4 5030 B13R1.135 COC(C)N(C)Cc1ccccc1 269982a_100000186898_100009879195 [0,1,0,0,0,1|2,0,0]=4 5031 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,1,0,0,0,1|2,0,0]=4 5032 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,1,0,0,0,1|2,0,0]=4 5033 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,1,0,0,0,1|2,0,0]=4 5034 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,1,0,0,0,1|2,0,0]=4 5035 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,1,0,0,0,1|2,0,0]=4 5036 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,1,0,0,0,1|2,0,0]=4 5037 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,1,0,0,0,1|2,0,0]=4 5038 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,1,0,0,0,1|2,0,0]=4 5039 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,1,0,0,0,1|2,0,0]=4 5040 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,0,0,0,1|2,0,0]=4 5041 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,1,0,0,0,1|2,0,0]=4 5042 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,1,0,0,0,1|2,0,0]=4 5043 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,1,0,0,0,1|1,0,0]=3 5044 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,1,0,0,0,1|1,0,0]=3 5045 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,1,0,0,0,1|1,0,0]=3 5046 B13R1.348 CC(C)CC(C)Oc1cccnc1 34a_100000210849_100000731052 [0,1,0,0,0,1|2,0,0]=4 5047 B13R1.348 CC(C)CC(C)Oc1cccnc1 7a_100000210849_100000731052 [0,1,0,0,0,1|2,0,0]=4 5048 B13R1.348 CC(C)CC(C)Oc1ccncc1 34a_100000212176_100000731052 [0,1,0,0,0,1|2,0,0]=4 5049 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,1,0,0,0,1|1,0,0]=3 5050 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,1,0,0,0,1|1,0,0]=3 5051 B13R1.348 CC(C)CC(C)Sc1ccccn1 62a_100000731052_100011216584 [0,1,0,0,0,1|2,0,0]=4 5052 B13R1.348 CC(C)CC(C)Sc1ccccn1 62a_100011216584_100000731052 [0,1,0,0,0,1|2,0,0]=4 5053 B13R1.348 CC(C)CC(C)Sc1cccnc1 62a_100000210063_100000731052 [0,1,0,0,0,1|2,0,0]=4 5054 B13R1.348 CC(C)CC(C)Sc1cccnc1 62a_100000731052_100000210063 [0,1,0,0,0,1|2,0,0]=4 5055 B13R1.348 CC(C)CC(C)Sc1ccncc1 62a_100000728582_100000731052 [0,1,0,0,0,1|2,0,0]=4 5056 B13R1.348 CC(C)CC(C)Sc1ccncc1 62a_100000731052_100000728582 [0,1,0,0,0,1|2,0,0]=4 5057 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000210760 [0,1,0,0,0,1|2,0,0]=4 5058 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000189081_200000210301 [0,1,0,0,0,1|2,0,0]=4 5059 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000747067_100015291786 [0,1,0,0,0,1|2,0,0]=4 5060 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000210624 [0,1,0,0,0,1|2,0,0]=4 5061 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000189081_200000210301 [0,1,0,0,0,1|2,0,0]=4 5062 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000747067_100000211182 [0,1,0,0,0,1|2,0,0]=4 5063 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000210432 [0,1,0,0,0,1|2,0,0]=4 5064 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000747067_100015611070 [0,1,0,0,0,1|2,0,0]=4 5065 B13R1.348 CC(C)CN(C)Cc1ccccc1 34a_100000189081_200000210301 [0,1,0,0,0,1|2,0,0]=4 5066 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 2230a_100000189081_200025704644 [0,1,0,0,0,1|2,0,0]=4 5067 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 269982a_100000189081_200025704644 [0,1,0,0,0,1|2,0,0]=4 5068 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 34a_100000189081_200025704644 [0,1,0,0,0,1|2,0,0]=4 5069 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,1,0,0,0,1|2,0,0]=4 5070 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,1,0,0,0,1|2,0,0]=4 5071 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,1,0,0,0,1|2,0,0]=4 5072 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,1,0,0,0,1|2,0,0]=4 5073 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,1,0,0,0,1|2,0,0]=4 5074 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,1,0,0,0,1|2,0,0]=4 5075 B13R1.348 CC(CN(C)C)Nc1cccnn1 27a_100016992788_100016991348 [0,1,0,0,0,1|2,0,0]=4 5076 B13R1.348 CC(CN(C)C)Nc1ccncn1 27a_100016992788_100000703185 [0,1,0,0,0,1|2,0,0]=4 5077 B13R1.348 CC(CN(C)C)Nc1cnccn1 27a_100016992788_100000211759 [0,1,0,0,0,1|2,0,0]=4 5078 B13R1.348 CC(CN(C)C)Nc1ncccn1 27a_100016992788_100000211032 [0,1,0,0,0,1|2,0,0]=4 5079 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100000719477_100020606517 [0,1,0,0,0,1|0,0,0]=2 5080 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100020606517_100000041952 [0,1,0,0,0,1|0,0,0]=2 5081 B13R1.348 CC(CN(C)C)Sc1ccccn1 62a_100011216584_100020606517 [0,1,0,0,0,1|1,0,0]=3 5082 B13R1.348 CC(CN(C)C)Sc1ccccn1 62a_100020606517_100011216584 [0,1,0,0,0,1|1,0,0]=3 5083 B13R1.348 CC(CN(C)C)Sc1cccnc1 62a_100000210063_100020606517 [0,1,0,0,0,1|1,0,0]=3 5084 B13R1.348 CC(CN(C)C)Sc1cccnc1 62a_100020606517_100000210063 [0,1,0,0,0,1|1,0,0]=3 5085 B13R1.348 CC(CN(C)C)Sc1cccnn1 62a_100016991348_100020606517 [0,1,0,0,0,1|2,0,0]=4 5086 B13R1.348 CC(CN(C)C)Sc1cccnn1 62a_100020606517_100016991348 [0,1,0,0,0,1|2,0,0]=4 5087 B13R1.348 CC(CN(C)C)Sc1ccncc1 62a_100000728582_100020606517 [0,1,0,0,0,1|1,0,0]=3 5088 B13R1.348 CC(CN(C)C)Sc1ccncc1 62a_100020606517_100000728582 [0,1,0,0,0,1|1,0,0]=3 5089 B13R1.348 CC(CN(C)C)Sc1ccncn1 62a_100000703185_100020606517 [0,1,0,0,0,1|2,0,0]=4 5090 B13R1.348 CC(CN(C)C)Sc1ccncn1 62a_100020606517_100000703185 [0,1,0,0,0,1|2,0,0]=4 5091 B13R1.348 CC(CN(C)C)Sc1ccnnc1 62a_100000732662_100020606517 [0,1,0,0,0,1|2,0,0]=4 5092 B13R1.348 CC(CN(C)C)Sc1ccnnc1 62a_100020606517_100000732662 [0,1,0,0,0,1|2,0,0]=4 5093 B13R1.348 CC(CN(C)C)Sc1cnccn1 62a_100000211759_100020606517 [0,1,0,0,0,1|2,0,0]=4 5094 B13R1.348 CC(CN(C)C)Sc1cnccn1 62a_100020606517_100000211759 [0,1,0,0,0,1|2,0,0]=4 5095 B13R1.348 CC(CN(C)C)Sc1cncnc1 62a_100011206942_100020606517 [0,1,0,0,0,1|2,0,0]=4 5096 B13R1.348 CC(CN(C)C)Sc1cncnc1 62a_100020606517_100011206942 [0,1,0,0,0,1|2,0,0]=4 5097 B13R1.348 CC(CN(C)C)Sc1ncccn1 62a_100000211032_100020606517 [0,1,0,0,0,1|2,0,0]=4 5098 B13R1.348 CC(CN(C)C)Sc1ncccn1 62a_100020606517_100000211032 [0,1,0,0,0,1|2,0,0]=4 5099 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,1,0,0,0,1|2,0,0]=4 5100 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,1,0,0,0,1|2,0,0]=4 5101 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,1,0,0,0,1|2,0,0]=4 5102 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,1,0,0,0,1|2,0,0]=4 5103 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,1,0,0,0,1|2,0,0]=4 5104 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,1,0,0,0,1|2,0,0]=4 5105 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,1,0,0,0,1|2,0,0]=4 5106 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,1,0,0,0,1|2,0,0]=4 5107 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,1,0,0,0,1|2,0,0]=4 5108 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [0,1,0,0,0,1|1,0,1]=4 5109 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [0,1,0,0,0,1|1,0,1]=4 5110 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [0,1,0,0,0,1|1,0,1]=4 5111 B13R1.348 CN(C)CC(=O)Nc1ccccc1 11a_100000106764_100000750896 [0,1,0,0,0,1|1,0,1]=4 5112 B13R1.348 CN(C)CC(=O)Nc1ccccc1 2230a_100102631434_100000182850 [0,1,0,0,0,1|1,0,1]=4 5113 B13R1.348 CN(C)CC(=O)Nc1ccccc1 22a_100000106764_100000750896 [0,1,0,0,0,1|1,0,1]=4 5114 B13R1.348 CN(C)CC(=O)Nc1ccccc1 269982a_100102631434_100000182850 [0,1,0,0,0,1|1,0,1]=4 5115 B13R1.348 CN(C)CC(=O)Nc1ccccc1 527a_100000106764_100000750896 [0,1,0,0,0,1|1,0,1]=4 5116 B13R1.348 CN(C)CC(=O)Oc1ccccc1 2230a_100102631434_100009813826 [0,1,0,0,0,1|1,0,1]=4 5117 B13R1.348 CN(C)CC(=O)Oc1ccccc1 269982a_100102631434_100009813826 [0,1,0,0,0,1|1,0,1]=4 5118 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,1,0,0,0,1|1,0,0]=3 5119 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,1,0,0,0,1|1,0,0]=3 5120 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,0,0,0,1|2,0,0]=4 5121 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,1,0,0,0,1|2,0,0]=4 5122 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,1,0,0,0,1|2,0,0]=4 5123 B13R1.470 CC(CC#N)Oc1ccccc1Br 7a_100000181306_100009813641 [0,1,0,0,0,1|2,0,0]=4 5124 B13R1.470 CC(CC#N)Oc1ccccc1Cl 7a_100000210172_100009813641 [0,1,0,0,0,1|2,0,0]=4 5125 B13R1.470 CC(CC#N)Oc1ccccc1F 7a_100000210171_100009813641 [0,1,0,0,0,1|2,0,0]=4 5126 B13R1.470 CC(CC#N)Oc1ccccc1I 7a_100000739446_100009813641 [0,1,0,0,0,1|2,0,0]=4 5127 B13R1.470 CC(CC#N)Oc1ccccc1N 7a_100000185747_100009813641 [0,1,0,0,0,1|2,0,0]=4 5128 B13R1.470 CC(CC#N)Sc1ccccc1Br 62a_100000695589_100009813641 [0,1,0,0,0,1|2,0,0]=4 5129 B13R1.470 CC(CC#N)Sc1ccccc1Br 62a_100009813641_100000695589 [0,1,0,0,0,1|2,0,0]=4 5130 B13R1.470 CC(CC#N)Sc1ccccc1Cl 62a_100000764095_100009813641 [0,1,0,0,0,1|2,0,0]=4 5131 B13R1.470 CC(CC#N)Sc1ccccc1Cl 62a_100009813641_100000764095 [0,1,0,0,0,1|2,0,0]=4 5132 B13R1.470 CC(CC#N)Sc1ccccc1F 62a_100009813641_100011215700 [0,1,0,0,0,1|2,0,0]=4 5133 B13R1.470 CC(CC#N)Sc1ccccc1F 62a_100011215700_100009813641 [0,1,0,0,0,1|2,0,0]=4 5134 B13R1.470 CC(CC#N)Sc1ccccc1N 62a_100000210017_100009813641 [0,1,0,0,0,1|2,0,0]=4 5135 B13R1.470 CC(CC#N)Sc1ccccc1N 62a_100009813641_100000210017 [0,1,0,0,0,1|2,0,0]=4 5136 B13R1.470 CC(CC#N)Sc1ccccc1O 62a_100000739446_100009813641 [0,1,0,0,0,1|2,0,0]=4 5137 B13R1.470 CC(CC#N)Sc1ccccc1O 62a_100009813641_100000739446 [0,1,0,0,0,1|2,0,0]=4 5138 B13R1.470 CC(CCO)Nc1ccccc1Br 34a_100000210017_100009893172 [0,1,0,0,0,1|2,0,0]=4 5139 B13R1.470 CC(CCO)Nc1ccccc1Cl 34a_100000185783_100009893172 [0,1,0,0,0,1|2,0,0]=4 5140 B13R1.470 CC(CCO)Nc1ccccc1F 34a_100000210422_100009893172 [0,1,0,0,0,1|2,0,0]=4 5141 B13R1.470 CC(CCO)Nc1ccccc1I 34a_100000210053_100009893172 [0,1,0,0,0,1|2,0,0]=4 5142 B13R1.470 CC(CCO)Nc1ccccc1O 34a_100000185747_100009893172 [0,1,0,0,0,1|2,0,0]=4 5143 B13R1.470 CC(CCO)Oc1ccccc1Br 34a_100000181306_100009893172 [0,1,0,0,0,1|2,0,0]=4 5144 B13R1.470 CC(CCO)Oc1ccccc1Br 7a_100000181306_100009893172 [0,1,0,0,0,1|2,0,0]=4 5145 B13R1.470 CC(CCO)Oc1ccccc1Cl 34a_100000210172_100009893172 [0,1,0,0,0,1|2,0,0]=4 5146 B13R1.470 CC(CCO)Oc1ccccc1Cl 7a_100000210172_100009893172 [0,1,0,0,0,1|2,0,0]=4 5147 B13R1.470 CC(CCO)Oc1ccccc1F 34a_100000210171_100009893172 [0,1,0,0,0,1|2,0,0]=4 5148 B13R1.470 CC(CCO)Oc1ccccc1F 7a_100000210171_100009893172 [0,1,0,0,0,1|2,0,0]=4 5149 B13R1.470 CC(CCO)Oc1ccccc1I 34a_100000739446_100009893172 [0,1,0,0,0,1|2,0,0]=4 5150 B13R1.470 CC(CCO)Oc1ccccc1I 7a_100000739446_100009893172 [0,1,0,0,0,1|2,0,0]=4 5151 B13R1.470 CC(CCO)Oc1ccccc1N 34a_100000185747_100009893172 [0,1,0,0,0,1|2,0,0]=4 5152 B13R1.470 CC(CCO)Oc1ccccc1N 7a_100000185747_100009893172 [0,1,0,0,0,1|2,0,0]=4 5153 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100000695589_100009893172 [0,1,0,0,0,1|2,0,0]=4 5154 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100009893172_100000695589 [0,1,0,0,0,1|2,0,0]=4 5155 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100000764095_100009893172 [0,1,0,0,0,1|2,0,0]=4 5156 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100009893172_100000764095 [0,1,0,0,0,1|2,0,0]=4 5157 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100009893172_100011215700 [0,1,0,0,0,1|2,0,0]=4 5158 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100011215700_100009893172 [0,1,0,0,0,1|2,0,0]=4 5159 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100000210017_100009893172 [0,1,0,0,0,1|2,0,0]=4 5160 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100009893172_100000210017 [0,1,0,0,0,1|2,0,0]=4 5161 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100000739446_100009893172 [0,1,0,0,0,1|2,0,0]=4 5162 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100009893172_100000739446 [0,1,0,0,0,1|2,0,0]=4 5163 B13R1.470 CC(CN[13CH3])Oc1ccccc1Cl 2230a_100000763343_200025704644 [0,1,0,0,0,1|0,0,0]=2 5164 B13R1.470 CC(CN[13CH3])Oc1ccccc1Cl 34a_100000763343_200025704644 [0,1,0,0,0,1|0,0,0]=2 5165 B13R1.470 CCCC(C)Nc1ccccc1Br 34a_100000210017_100000766640 [0,1,0,0,0,1|1,0,0]=3 5166 B13R1.470 CCCC(C)Nc1ccccc1C 34a_100015192222_100000766640 [0,1,0,0,0,1|1,0,0]=3 5167 B13R1.470 CCCC(C)Nc1ccccc1Cl 34a_100000185783_100000766640 [0,1,0,0,0,1|1,0,0]=3 5168 B13R1.470 CCCC(C)Nc1ccccc1F 34a_100000210422_100000766640 [0,1,0,0,0,1|1,0,0]=3 5169 B13R1.470 CCCC(C)Nc1ccccc1I 34a_100000210053_100000766640 [0,1,0,0,0,1|1,0,0]=3 5170 B13R1.470 CCCC(C)Nc1ccccc1O 34a_100000185747_100000766640 [0,1,0,0,0,1|1,0,0]=3 5171 B13R1.470 CCCC(C)Nc1ccncc1Br 27a_100000741246_100000726257 [0,1,0,0,0,1|2,0,0]=4 5172 B13R1.470 CCCC(C)Nc1ccncc1C 27a_100000741246_100000765111 [0,1,0,0,0,1|2,0,0]=4 5173 B13R1.470 CCCC(C)Nc1ccncc1F 27a_100000741246_100000035921 [0,1,0,0,0,1|2,0,0]=4 5174 B13R1.470 CCCC(C)Nc1ncccc1Br 27a_100000741246_100000696092 [0,1,0,0,0,1|2,0,0]=4 5175 B13R1.470 CCCC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000766640 [0,1,0,0,0,1|2,0,0]=4 5176 B13R1.470 CCCC(C)Oc1ccccc1Br 34a_100000181306_100000766640 [0,1,0,0,0,1|1,0,0]=3 5177 B13R1.470 CCCC(C)Oc1ccccc1Br 7a_100000181306_100000766640 [0,1,0,0,0,1|1,0,0]=3 5178 B13R1.470 CCCC(C)Oc1ccccc1C 34a_100000210338_100000766640 [0,1,0,0,0,1|1,0,0]=3 5179 B13R1.470 CCCC(C)Oc1ccccc1C 7a_100000210338_100000766640 [0,1,0,0,0,1|1,0,0]=3 5180 B13R1.470 CCCC(C)Oc1ccccc1Cl 34a_100000210172_100000766640 [0,1,0,0,0,1|1,0,0]=3 5181 B13R1.470 CCCC(C)Oc1ccccc1Cl 7a_100000210172_100000766640 [0,1,0,0,0,1|1,0,0]=3 5182 B13R1.470 CCCC(C)Oc1ccccc1F 34a_100000210171_100000766640 [0,1,0,0,0,1|1,0,0]=3 5183 B13R1.470 CCCC(C)Oc1ccccc1F 7a_100000210171_100000766640 [0,1,0,0,0,1|1,0,0]=3 5184 B13R1.470 CCCC(C)Oc1ccccc1I 34a_100000739446_100000766640 [0,1,0,0,0,1|1,0,0]=3 5185 B13R1.470 CCCC(C)Oc1ccccc1I 7a_100000739446_100000766640 [0,1,0,0,0,1|1,0,0]=3 5186 B13R1.470 CCCC(C)Oc1ccccc1N 34a_100000185747_100000766640 [0,1,0,0,0,1|1,0,0]=3 5187 B13R1.470 CCCC(C)Oc1ccccc1N 7a_100000185747_100000766640 [0,1,0,0,0,1|1,0,0]=3 5188 B13R1.470 CCCC(C)Oc1cccnc1Br 34a_100000744436_100000766640 [0,1,0,0,0,1|2,0,0]=4 5189 B13R1.470 CCCC(C)Oc1cccnc1Br 7a_100000744436_100000766640 [0,1,0,0,0,1|2,0,0]=4 5190 B13R1.470 CCCC(C)Oc1cccnc1C 34a_100000745507_100000766640 [0,1,0,0,0,1|2,0,0]=4 5191 B13R1.470 CCCC(C)Oc1cccnc1C 7a_100000745507_100000766640 [0,1,0,0,0,1|2,0,0]=4 5192 B13R1.470 CCCC(C)Oc1cccnc1Cl 34a_100000757616_100000766640 [0,1,0,0,0,1|2,0,0]=4 5193 B13R1.470 CCCC(C)Oc1cccnc1Cl 7a_100000757616_100000766640 [0,1,0,0,0,1|2,0,0]=4 5194 B13R1.470 CCCC(C)Oc1cccnc1F 34a_100000061740_100000766640 [0,1,0,0,0,1|2,0,0]=4 5195 B13R1.470 CCCC(C)Oc1cccnc1F 7a_100000061740_100000766640 [0,1,0,0,0,1|2,0,0]=4 5196 B13R1.470 CCCC(C)Oc1cccnc1I 34a_100000034122_100000766640 [0,1,0,0,0,1|2,0,0]=4 5197 B13R1.470 CCCC(C)Oc1cccnc1I 7a_100000034122_100000766640 [0,1,0,0,0,1|2,0,0]=4 5198 B13R1.470 CCCC(C)Oc1cccnc1N 34a_100000211975_100000766640 [0,1,0,0,0,1|2,0,0]=4 5199 B13R1.470 CCCC(C)Oc1cccnc1N 7a_100000211975_100000766640 [0,1,0,0,0,1|2,0,0]=4 5200 B13R1.470 CCCC(C)Oc1cccoc1=O 34a_100000077404_100000766640 [0,1,0,0,0,1|2,0,0]=4 5201 B13R1.470 CCCC(C)Oc1cccoc1=O 7a_100000077404_100000766640 [0,1,0,0,0,1|2,0,0]=4 5202 B13R1.470 CCCC(C)Oc1ccncc1Br 34a_100011996408_100000766640 [0,1,0,0,0,1|2,0,0]=4 5203 B13R1.470 CCCC(C)Oc1ccncc1C 34a_100000694293_100000766640 [0,1,0,0,0,1|2,0,0]=4 5204 B13R1.470 CCCC(C)Oc1ccncc1Cl 34a_100011997054_100000766640 [0,1,0,0,0,1|2,0,0]=4 5205 B13R1.470 CCCC(C)Oc1ccncc1F 34a_200000081243_100000766640 [0,1,0,0,0,1|2,0,0]=4 5206 B13R1.470 CCCC(C)Oc1cnccc1C 34a_100011997053_100000766640 [0,1,0,0,0,1|2,0,0]=4 5207 B13R1.470 CCCC(C)Oc1cnccc1C 7a_100011997053_100000766640 [0,1,0,0,0,1|2,0,0]=4 5208 B13R1.470 CCCC(C)Oc1cnccc1Cl 34a_100011996695_100000766640 [0,1,0,0,0,1|2,0,0]=4 5209 B13R1.470 CCCC(C)Oc1cnccc1I 34a_100000050107_100000766640 [0,1,0,0,0,1|2,0,0]=4 5210 B13R1.470 CCCC(C)Oc1cnccc1N 34a_100000753702_100000766640 [0,1,0,0,0,1|2,0,0]=4 5211 B13R1.470 CCCC(C)Oc1coccc1=O 34a_100000060831_100000766640 [0,1,0,0,0,1|2,0,0]=4 5212 B13R1.470 CCCC(C)Oc1ncccc1Cl 34a_100011290957_100000766640 [0,1,0,0,0,1|2,0,0]=4 5213 B13R1.470 CCCC(C)Oc1ncccc1F 34a_100011219419_100000766640 [0,1,0,0,0,1|2,0,0]=4 5214 B13R1.470 CCCC(C)Oc1ncccc1N 34a_100000746358_100000766640 [0,1,0,0,0,1|2,0,0]=4 5215 B13R1.470 CCCC(C)Sc1c[nH]ccc1=O 62a_100000766640_100009998708 [0,1,0,0,0,1|2,0,0]=4 5216 B13R1.470 CCCC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000766640 [0,1,0,0,0,1|2,0,0]=4 5217 B13R1.470 CCCC(C)Sc1c[nH]ccc1=S 62a_100000766640_200012280681 [0,1,0,0,0,1|2,0,0]=4 5218 B13R1.470 CCCC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000766640 [0,1,0,0,0,1|2,0,0]=4 5219 B13R1.470 CCCC(C)Sc1cccc[n+]1C 62a_100000766640_100000212160 [0,1,0,0,0,1|2,0,0]=4 5220 B13R1.470 CCCC(C)Sc1cccc[n+]1[O-] 62a_100000766640_200000042595 [0,1,0,0,0,1|2,0,0]=4 5221 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000695589_100000766640 [0,1,0,0,0,1|1,0,0]=3 5222 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000766640_100000695589 [0,1,0,0,0,1|1,0,0]=3 5223 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000210755_100000766640 [0,1,0,0,0,1|1,0,0]=3 5224 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000766640_100000210755 [0,1,0,0,0,1|1,0,0]=3 5225 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000764095_100000766640 [0,1,0,0,0,1|1,0,0]=3 5226 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000766640_100000764095 [0,1,0,0,0,1|1,0,0]=3 5227 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100000766640_100011215700 [0,1,0,0,0,1|1,0,0]=3 5228 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100011215700_100000766640 [0,1,0,0,0,1|1,0,0]=3 5229 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000210017_100000766640 [0,1,0,0,0,1|1,0,0]=3 5230 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000766640_100000210017 [0,1,0,0,0,1|1,0,0]=3 5231 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000739446_100000766640 [0,1,0,0,0,1|1,0,0]=3 5232 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000766640_100000739446 [0,1,0,0,0,1|1,0,0]=3 5233 B13R1.470 CCCC(C)Sc1cccnc1Br 62a_100000766640_100010202626 [0,1,0,0,0,1|2,0,0]=4 5234 B13R1.470 CCCC(C)Sc1cccnc1Br 62a_100010202626_100000766640 [0,1,0,0,0,1|2,0,0]=4 5235 B13R1.470 CCCC(C)Sc1cccnc1C 62a_100000751574_100000766640 [0,1,0,0,0,1|2,0,0]=4 5236 B13R1.470 CCCC(C)Sc1cccnc1C 62a_100000766640_100000751574 [0,1,0,0,0,1|2,0,0]=4 5237 B13R1.470 CCCC(C)Sc1cccnc1Cl 62a_100000036424_100000766640 [0,1,0,0,0,1|2,0,0]=4 5238 B13R1.470 CCCC(C)Sc1cccnc1Cl 62a_100000766640_100000036424 [0,1,0,0,0,1|2,0,0]=4 5239 B13R1.470 CCCC(C)Sc1cccnc1F 62a_100000766640_100009816115 [0,1,0,0,0,1|2,0,0]=4 5240 B13R1.470 CCCC(C)Sc1cccnc1F 62a_100009816115_100000766640 [0,1,0,0,0,1|2,0,0]=4 5241 B13R1.470 CCCC(C)Sc1cccnc1N 62a_100000045569_100000766640 [0,1,0,0,0,1|2,0,0]=4 5242 B13R1.470 CCCC(C)Sc1cccnc1N 62a_100000766640_100000045569 [0,1,0,0,0,1|2,0,0]=4 5243 B13R1.470 CCCC(C)Sc1cccnc1O 62a_100000760158_100000766640 [0,1,0,0,0,1|2,0,0]=4 5244 B13R1.470 CCCC(C)Sc1cccnc1O 62a_100000766640_100000760158 [0,1,0,0,0,1|2,0,0]=4 5245 B13R1.470 CCCC(C)Sc1ccncc1Br 62a_100000726257_100000766640 [0,1,0,0,0,1|2,0,0]=4 5246 B13R1.470 CCCC(C)Sc1ccncc1Br 62a_100000766640_100000726257 [0,1,0,0,0,1|2,0,0]=4 5247 B13R1.470 CCCC(C)Sc1ccncc1C 62a_100000765111_100000766640 [0,1,0,0,0,1|2,0,0]=4 5248 B13R1.470 CCCC(C)Sc1ccncc1C 62a_100000766640_100000765111 [0,1,0,0,0,1|2,0,0]=4 5249 B13R1.470 CCCC(C)Sc1ccncc1Cl 62a_100000708259_100000766640 [0,1,0,0,0,1|2,0,0]=4 5250 B13R1.470 CCCC(C)Sc1ccncc1Cl 62a_100000766640_100000708259 [0,1,0,0,0,1|2,0,0]=4 5251 B13R1.470 CCCC(C)Sc1ccncc1F 62a_100000047030_100000766640 [0,1,0,0,0,1|2,0,0]=4 5252 B13R1.470 CCCC(C)Sc1ccncc1F 62a_100000766640_100000047030 [0,1,0,0,0,1|2,0,0]=4 5253 B13R1.470 CCCC(C)Sc1ccncc1N 62a_100000756074_100000766640 [0,1,0,0,0,1|2,0,0]=4 5254 B13R1.470 CCCC(C)Sc1ccncc1N 62a_100000766640_100000756074 [0,1,0,0,0,1|2,0,0]=4 5255 B13R1.470 CCCC(C)Sc1ccncc1O 62a_100000766640_100009817591 [0,1,0,0,0,1|2,0,0]=4 5256 B13R1.470 CCCC(C)Sc1ccncc1O 62a_100009817591_100000766640 [0,1,0,0,0,1|2,0,0]=4 5257 B13R1.470 CCCC(C)Sc1cnccc1Br 62a_100000766640_100010138639 [0,1,0,0,0,1|2,0,0]=4 5258 B13R1.470 CCCC(C)Sc1cnccc1Br 62a_100010138639_100000766640 [0,1,0,0,0,1|2,0,0]=4 5259 B13R1.470 CCCC(C)Sc1cnccc1C 62a_100000761580_100000766640 [0,1,0,0,0,1|2,0,0]=4 5260 B13R1.470 CCCC(C)Sc1cnccc1C 62a_100000766640_100000761580 [0,1,0,0,0,1|2,0,0]=4 5261 B13R1.470 CCCC(C)Sc1cnccc1Cl 62a_100000766640_100009995489 [0,1,0,0,0,1|2,0,0]=4 5262 B13R1.470 CCCC(C)Sc1cnccc1Cl 62a_100009995489_100000766640 [0,1,0,0,0,1|2,0,0]=4 5263 B13R1.470 CCCC(C)Sc1cnccc1F 62a_100000766640_100009820683 [0,1,0,0,0,1|2,0,0]=4 5264 B13R1.470 CCCC(C)Sc1cnccc1F 62a_100009820683_100000766640 [0,1,0,0,0,1|2,0,0]=4 5265 B13R1.470 CCCC(C)Sc1cnccc1N 62a_100000047001_100000766640 [0,1,0,0,0,1|2,0,0]=4 5266 B13R1.470 CCCC(C)Sc1cnccc1N 62a_100000766640_100000047001 [0,1,0,0,0,1|2,0,0]=4 5267 B13R1.470 CCCC(C)Sc1ncccc1Br 62a_100000696092_100000766640 [0,1,0,0,0,1|2,0,0]=4 5268 B13R1.470 CCCC(C)Sc1ncccc1Br 62a_100000766640_100000696092 [0,1,0,0,0,1|2,0,0]=4 5269 B13R1.470 CCCC(C)Sc1ncccc1C 62a_100000751373_100000766640 [0,1,0,0,0,1|2,0,0]=4 5270 B13R1.470 CCCC(C)Sc1ncccc1C 62a_100000766640_100000751373 [0,1,0,0,0,1|2,0,0]=4 5271 B13R1.470 CCCC(C)Sc1ncccc1Cl 62a_100000766640_100011356963 [0,1,0,0,0,1|2,0,0]=4 5272 B13R1.470 CCCC(C)Sc1ncccc1Cl 62a_100011356963_100000766640 [0,1,0,0,0,1|2,0,0]=4 5273 B13R1.470 CCCC(C)Sc1ncccc1F 62a_100000685392_100000766640 [0,1,0,0,0,1|2,0,0]=4 5274 B13R1.470 CCCC(C)Sc1ncccc1F 62a_100000766640_100000685392 [0,1,0,0,0,1|2,0,0]=4 5275 B13R1.470 CCCC(C)Sc1ncccc1N 62a_100000688686_100000766640 [0,1,0,0,0,1|2,0,0]=4 5276 B13R1.470 CCCC(C)Sc1ncccc1N 62a_100000766640_100000688686 [0,1,0,0,0,1|2,0,0]=4 5277 B13R1.470 CCCC(C)Sc1ncccc1O 62a_100000034122_100000766640 [0,1,0,0,0,1|2,0,0]=4 5278 B13R1.470 CCCC(C)Sc1ncccc1O 62a_100000766640_100000034122 [0,1,0,0,0,1|2,0,0]=4 5279 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210303 [0,1,0,0,0,1|2,0,0]=4 5280 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000196483_200000210301 [0,1,0,0,0,1|2,0,0]=4 5281 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000747261_100000184730 [0,1,0,0,0,1|2,0,0]=4 5282 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210303 [0,1,0,0,0,1|2,0,0]=4 5283 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000196483_200000210301 [0,1,0,0,0,1|2,0,0]=4 5284 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000747261_100000184730 [0,1,0,0,0,1|2,0,0]=4 5285 B13R1.470 CCCN(C)Cc1ccccc1Br 26a_100000747261_100000181306 [0,1,0,0,0,1|2,0,0]=4 5286 B13R1.470 CCCN(C)Cc1ccccc1Br 270004a_100000747261_100000211189 [0,1,0,0,0,1|2,0,0]=4 5287 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000184421_100000210303 [0,1,0,0,0,1|2,0,0]=4 5288 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000747261_100000211839 [0,1,0,0,0,1|2,0,0]=4 5289 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100015185261_200000210301 [0,1,0,0,0,1|2,0,0]=4 5290 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000184421_100000210303 [0,1,0,0,0,1|2,0,0]=4 5291 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000747261_100000211839 [0,1,0,0,0,1|2,0,0]=4 5292 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100015185261_200000210301 [0,1,0,0,0,1|2,0,0]=4 5293 B13R1.470 CCCN(C)Cc1ccccc1C 270004a_100000747261_100000211143 [0,1,0,0,0,1|2,0,0]=4 5294 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210303 [0,1,0,0,0,1|2,0,0]=4 5295 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000747261_100000187162 [0,1,0,0,0,1|2,0,0]=4 5296 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100015184737_200000210301 [0,1,0,0,0,1|2,0,0]=4 5297 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210303 [0,1,0,0,0,1|2,0,0]=4 5298 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000747261_100000187162 [0,1,0,0,0,1|2,0,0]=4 5299 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100015184737_200000210301 [0,1,0,0,0,1|2,0,0]=4 5300 B13R1.470 CCCN(C)Cc1ccccc1Cl 26a_100000747261_100000210172 [0,1,0,0,0,1|2,0,0]=4 5301 B13R1.470 CCCN(C)Cc1ccccc1Cl 270004a_100000747261_100000210073 [0,1,0,0,0,1|2,0,0]=4 5302 B13R1.470 CCCN(C)Cc1ccccc1Cl 34a_100015184737_200000210301 [0,1,0,0,0,1|2,0,0]=4 5303 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000742528_100000210303 [0,1,0,0,0,1|2,0,0]=4 5304 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000747261_100000211605 [0,1,0,0,0,1|2,0,0]=4 5305 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100015184649_200000210301 [0,1,0,0,0,1|2,0,0]=4 5306 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000742528_100000210303 [0,1,0,0,0,1|2,0,0]=4 5307 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000747261_100000211605 [0,1,0,0,0,1|2,0,0]=4 5308 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100015184649_200000210301 [0,1,0,0,0,1|2,0,0]=4 5309 B13R1.470 CCCN(C)Cc1ccccc1F 270004a_100000747261_100000210811 [0,1,0,0,0,1|2,0,0]=4 5310 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100000742528_100000210303 [0,1,0,0,0,1|2,0,0]=4 5311 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100015184649_200000210301 [0,1,0,0,0,1|2,0,0]=4 5312 B13R1.470 CCCN(C)Cc1ccccc1I 2230a_100000747261_100011215278 [0,1,0,0,0,1|2,0,0]=4 5313 B13R1.470 CCCN(C)Cc1ccccc1I 269982a_100000747261_100011215278 [0,1,0,0,0,1|2,0,0]=4 5314 B13R1.470 CCCN(C)Cc1ccccc1I 270004a_100000747261_100000010305 [0,1,0,0,0,1|2,0,0]=4 5315 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100000749093_200000210301 [0,1,0,0,0,1|2,0,0]=4 5316 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100015189988_100000210303 [0,1,0,0,0,1|2,0,0]=4 5317 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100000749093_200000210301 [0,1,0,0,0,1|2,0,0]=4 5318 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100015189988_100000210303 [0,1,0,0,0,1|2,0,0]=4 5319 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 2230a_100000196483_200025704644 [0,1,0,0,0,1|2,0,0]=4 5320 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 269982a_100000196483_200025704644 [0,1,0,0,0,1|2,0,0]=4 5321 B13R1.470 CCCN([13CH3])Cc1ccccc1C 2230a_100015185261_200025704644 [0,1,0,0,0,1|2,0,0]=4 5322 B13R1.470 CCCN([13CH3])Cc1ccccc1C 269982a_100015185261_200025704644 [0,1,0,0,0,1|2,0,0]=4 5323 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 2230a_100015184737_200025704644 [0,1,0,0,0,1|2,0,0]=4 5324 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 269982a_100015184737_200025704644 [0,1,0,0,0,1|2,0,0]=4 5325 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 34a_100015184737_200025704644 [0,1,0,0,0,1|2,0,0]=4 5326 B13R1.470 CCCN([13CH3])Cc1ccccc1F 2230a_100015184649_200025704644 [0,1,0,0,0,1|2,0,0]=4 5327 B13R1.470 CCCN([13CH3])Cc1ccccc1F 269982a_100015184649_200025704644 [0,1,0,0,0,1|2,0,0]=4 5328 B13R1.470 CCCN([13CH3])Cc1ccccc1F 34a_100015184649_200025704644 [0,1,0,0,0,1|2,0,0]=4 5329 B13R1.470 CCCN([13CH3])Cc1ccccc1O 2230a_100000749093_200025704644 [0,1,0,0,0,1|2,0,0]=4 5330 B13R1.470 CCCN([13CH3])Cc1ccccc1O 269982a_100000749093_200025704644 [0,1,0,0,0,1|2,0,0]=4 5331 B13R1.470 CCNC(C)Cc1ccccc1Br 270004a_100015525214_100011350739 [0,1,0,0,0,1|2,0,0]=4 5332 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,1,0,0,0,1|2,0,0]=4 5333 B13R1.470 CCNC(C)Cc1ccccc1Cl 270004a_100015525214_100000758791 [0,1,0,0,0,1|2,0,0]=4 5334 B13R1.470 CCNC(C)Cc1ccccc1F 270004a_100015525214_100000709178 [0,1,0,0,0,1|2,0,0]=4 5335 B13R1.470 CNCC(=O)Cc1ccccc1Br 2230a_106832991635_100000700504 [0,1,0,0,0,1|1,0,1]=4 5336 B13R1.470 CNCC(=O)Cc1ccccc1Br 34a_100102657272_100000700504 [0,1,0,0,0,1|1,0,1]=4 5337 B13R1.470 CNCC(=O)Cc1ccccc1Br 7a_106832991635_100000700504 [0,1,0,0,0,1|1,0,1]=4 5338 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,1,0,0,0,1|1,0,1]=4 5339 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,1,0,0,0,1|1,0,1]=4 5340 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,1,0,0,0,1|1,0,1]=4 5341 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,1,0,0,0,1|1,0,1]=4 5342 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,1,0,0,0,1|1,0,1]=4 5343 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,1,0,0,0,1|1,0,1]=4 5344 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,1,0,0,0,1|1,0,1]=4 5345 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,1,0,0,0,1|1,0,1]=4 5346 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,1,0,0,0,1|1,0,1]=4 5347 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,1,0,0,0,1|1,0,1]=4 5348 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,1,0,0,0,1|1,0,1]=4 5349 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,1,0,0,0,1|1,0,1]=4 5350 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,1,0,0,0,1|1,0,1]=4 5351 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,1,0,0,0,1|1,0,1]=4 5352 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,1,0,0,0,1|1,0,1]=4 5353 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,1,0,0,0,1|1,0,1]=4 5354 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,1,0,0,0,1|1,0,1]=4 5355 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,1,0,0,0,1|1,0,1]=4 5356 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,1,0,0,0,1|1,0,1]=4 5357 B13R1.470 CNCC(C)Oc1ccccc1Cl 2230a_100000763343_200000210301 [0,1,0,0,0,1|0,0,0]=2 5358 B13R1.470 CNCC(C)Oc1ccccc1Cl 34a_100000763343_200000210301 [0,1,0,0,0,1|0,0,0]=2 5359 B13R1.470 COCC(C)Nc1ccccc1Br 34a_100000210017_100000765312 [0,1,0,0,0,1|1,0,0]=3 5360 B13R1.470 COCC(C)Nc1ccccc1C 34a_100015192222_100000765312 [0,1,0,0,0,1|1,0,0]=3 5361 B13R1.470 COCC(C)Nc1ccccc1Cl 34a_100000185783_100000765312 [0,1,0,0,0,1|1,0,0]=3 5362 B13R1.470 COCC(C)Nc1ccccc1F 34a_100000210422_100000765312 [0,1,0,0,0,1|1,0,0]=3 5363 B13R1.470 COCC(C)Nc1ccccc1I 34a_100000210053_100000765312 [0,1,0,0,0,1|1,0,0]=3 5364 B13R1.470 COCC(C)Nc1ccccc1O 34a_100000185747_100000765312 [0,1,0,0,0,1|1,0,0]=3 5365 B13R1.470 COCC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000765312 [0,1,0,0,0,1|2,0,0]=4 5366 B13R1.470 COCC(C)Oc1ccccc1Br 34a_100000181306_100000765312 [0,1,0,0,0,1|1,0,0]=3 5367 B13R1.470 COCC(C)Oc1ccccc1Br 7a_100000181306_100000765312 [0,1,0,0,0,1|1,0,0]=3 5368 B13R1.470 COCC(C)Oc1ccccc1C 34a_100000210338_100000765312 [0,1,0,0,0,1|1,0,0]=3 5369 B13R1.470 COCC(C)Oc1ccccc1C 7a_100000210338_100000765312 [0,1,0,0,0,1|1,0,0]=3 5370 B13R1.470 COCC(C)Oc1ccccc1Cl 34a_100000210172_100000765312 [0,1,0,0,0,1|1,0,0]=3 5371 B13R1.470 COCC(C)Oc1ccccc1Cl 7a_100000210172_100000765312 [0,1,0,0,0,1|1,0,0]=3 5372 B13R1.470 COCC(C)Oc1ccccc1F 34a_100000210171_100000765312 [0,1,0,0,0,1|1,0,0]=3 5373 B13R1.470 COCC(C)Oc1ccccc1F 7a_100000210171_100000765312 [0,1,0,0,0,1|1,0,0]=3 5374 B13R1.470 COCC(C)Oc1ccccc1I 34a_100000739446_100000765312 [0,1,0,0,0,1|1,0,0]=3 5375 B13R1.470 COCC(C)Oc1ccccc1I 7a_100000739446_100000765312 [0,1,0,0,0,1|1,0,0]=3 5376 B13R1.470 COCC(C)Oc1ccccc1N 34a_100000185747_100000765312 [0,1,0,0,0,1|1,0,0]=3 5377 B13R1.470 COCC(C)Oc1ccccc1N 7a_100000185747_100000765312 [0,1,0,0,0,1|1,0,0]=3 5378 B13R1.470 COCC(C)Oc1cccnc1Br 34a_100000744436_100000765312 [0,1,0,0,0,1|2,0,0]=4 5379 B13R1.470 COCC(C)Oc1cccnc1Br 7a_100000744436_100000765312 [0,1,0,0,0,1|2,0,0]=4 5380 B13R1.470 COCC(C)Oc1cccnc1C 34a_100000745507_100000765312 [0,1,0,0,0,1|2,0,0]=4 5381 B13R1.470 COCC(C)Oc1cccnc1C 7a_100000745507_100000765312 [0,1,0,0,0,1|2,0,0]=4 5382 B13R1.470 COCC(C)Oc1cccnc1Cl 34a_100000757616_100000765312 [0,1,0,0,0,1|2,0,0]=4 5383 B13R1.470 COCC(C)Oc1cccnc1Cl 7a_100000757616_100000765312 [0,1,0,0,0,1|2,0,0]=4 5384 B13R1.470 COCC(C)Oc1cccnc1F 34a_100000061740_100000765312 [0,1,0,0,0,1|2,0,0]=4 5385 B13R1.470 COCC(C)Oc1cccnc1F 7a_100000061740_100000765312 [0,1,0,0,0,1|2,0,0]=4 5386 B13R1.470 COCC(C)Oc1cccnc1I 34a_100000034122_100000765312 [0,1,0,0,0,1|2,0,0]=4 5387 B13R1.470 COCC(C)Oc1cccnc1I 7a_100000034122_100000765312 [0,1,0,0,0,1|2,0,0]=4 5388 B13R1.470 COCC(C)Oc1cccnc1N 34a_100000211975_100000765312 [0,1,0,0,0,1|2,0,0]=4 5389 B13R1.470 COCC(C)Oc1cccnc1N 7a_100000211975_100000765312 [0,1,0,0,0,1|2,0,0]=4 5390 B13R1.470 COCC(C)Oc1cccoc1=O 34a_100000077404_100000765312 [0,1,0,0,0,1|2,0,0]=4 5391 B13R1.470 COCC(C)Oc1cccoc1=O 7a_100000077404_100000765312 [0,1,0,0,0,1|2,0,0]=4 5392 B13R1.470 COCC(C)Oc1ccncc1Br 34a_100011996408_100000765312 [0,1,0,0,0,1|2,0,0]=4 5393 B13R1.470 COCC(C)Oc1ccncc1C 34a_100000694293_100000765312 [0,1,0,0,0,1|2,0,0]=4 5394 B13R1.470 COCC(C)Oc1ccncc1Cl 34a_100011997054_100000765312 [0,1,0,0,0,1|2,0,0]=4 5395 B13R1.470 COCC(C)Oc1ccncc1F 34a_200000081243_100000765312 [0,1,0,0,0,1|2,0,0]=4 5396 B13R1.470 COCC(C)Oc1cnccc1C 34a_100011997053_100000765312 [0,1,0,0,0,1|2,0,0]=4 5397 B13R1.470 COCC(C)Oc1cnccc1C 7a_100011997053_100000765312 [0,1,0,0,0,1|2,0,0]=4 5398 B13R1.470 COCC(C)Oc1cnccc1Cl 34a_100011996695_100000765312 [0,1,0,0,0,1|2,0,0]=4 5399 B13R1.470 COCC(C)Oc1cnccc1I 34a_100000050107_100000765312 [0,1,0,0,0,1|2,0,0]=4 5400 B13R1.470 COCC(C)Oc1cnccc1N 34a_100000753702_100000765312 [0,1,0,0,0,1|2,0,0]=4 5401 B13R1.470 COCC(C)Oc1coccc1=O 34a_100000060831_100000765312 [0,1,0,0,0,1|2,0,0]=4 5402 B13R1.470 COCC(C)Oc1ncccc1Cl 34a_100011290957_100000765312 [0,1,0,0,0,1|2,0,0]=4 5403 B13R1.470 COCC(C)Oc1ncccc1F 34a_100011219419_100000765312 [0,1,0,0,0,1|2,0,0]=4 5404 B13R1.470 COCC(C)Oc1ncccc1N 34a_100000746358_100000765312 [0,1,0,0,0,1|2,0,0]=4 5405 B13R1.470 COCC(C)Sc1c[nH]ccc1=O 62a_100000765312_100009998708 [0,1,0,0,0,1|2,0,0]=4 5406 B13R1.470 COCC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000765312 [0,1,0,0,0,1|2,0,0]=4 5407 B13R1.470 COCC(C)Sc1c[nH]ccc1=S 62a_100000765312_200012280681 [0,1,0,0,0,1|2,0,0]=4 5408 B13R1.470 COCC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000765312 [0,1,0,0,0,1|2,0,0]=4 5409 B13R1.470 COCC(C)Sc1cccc[n+]1C 62a_100000765312_100000212160 [0,1,0,0,0,1|2,0,0]=4 5410 B13R1.470 COCC(C)Sc1cccc[n+]1[O-] 62a_100000765312_200000042595 [0,1,0,0,0,1|2,0,0]=4 5411 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000695589_100000765312 [0,1,0,0,0,1|1,0,0]=3 5412 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000765312_100000695589 [0,1,0,0,0,1|1,0,0]=3 5413 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000210755_100000765312 [0,1,0,0,0,1|1,0,0]=3 5414 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000765312_100000210755 [0,1,0,0,0,1|1,0,0]=3 5415 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000764095_100000765312 [0,1,0,0,0,1|1,0,0]=3 5416 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000765312_100000764095 [0,1,0,0,0,1|1,0,0]=3 5417 B13R1.470 COCC(C)Sc1ccccc1F 62a_100000765312_100011215700 [0,1,0,0,0,1|1,0,0]=3 5418 B13R1.470 COCC(C)Sc1ccccc1F 62a_100011215700_100000765312 [0,1,0,0,0,1|1,0,0]=3 5419 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000210017_100000765312 [0,1,0,0,0,1|1,0,0]=3 5420 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000765312_100000210017 [0,1,0,0,0,1|1,0,0]=3 5421 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000739446_100000765312 [0,1,0,0,0,1|1,0,0]=3 5422 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000765312_100000739446 [0,1,0,0,0,1|1,0,0]=3 5423 B13R1.470 COCC(C)Sc1cccnc1Br 62a_100000765312_100010202626 [0,1,0,0,0,1|2,0,0]=4 5424 B13R1.470 COCC(C)Sc1cccnc1Br 62a_100010202626_100000765312 [0,1,0,0,0,1|2,0,0]=4 5425 B13R1.470 COCC(C)Sc1cccnc1C 62a_100000751574_100000765312 [0,1,0,0,0,1|2,0,0]=4 5426 B13R1.470 COCC(C)Sc1cccnc1C 62a_100000765312_100000751574 [0,1,0,0,0,1|2,0,0]=4 5427 B13R1.470 COCC(C)Sc1cccnc1Cl 62a_100000036424_100000765312 [0,1,0,0,0,1|2,0,0]=4 5428 B13R1.470 COCC(C)Sc1cccnc1Cl 62a_100000765312_100000036424 [0,1,0,0,0,1|2,0,0]=4 5429 B13R1.470 COCC(C)Sc1cccnc1F 62a_100000765312_100009816115 [0,1,0,0,0,1|2,0,0]=4 5430 B13R1.470 COCC(C)Sc1cccnc1F 62a_100009816115_100000765312 [0,1,0,0,0,1|2,0,0]=4 5431 B13R1.470 COCC(C)Sc1cccnc1N 62a_100000045569_100000765312 [0,1,0,0,0,1|2,0,0]=4 5432 B13R1.470 COCC(C)Sc1cccnc1N 62a_100000765312_100000045569 [0,1,0,0,0,1|2,0,0]=4 5433 B13R1.470 COCC(C)Sc1cccnc1O 62a_100000760158_100000765312 [0,1,0,0,0,1|2,0,0]=4 5434 B13R1.470 COCC(C)Sc1cccnc1O 62a_100000765312_100000760158 [0,1,0,0,0,1|2,0,0]=4 5435 B13R1.470 COCC(C)Sc1ccncc1Br 62a_100000726257_100000765312 [0,1,0,0,0,1|2,0,0]=4 5436 B13R1.470 COCC(C)Sc1ccncc1Br 62a_100000765312_100000726257 [0,1,0,0,0,1|2,0,0]=4 5437 B13R1.470 COCC(C)Sc1ccncc1C 62a_100000765111_100000765312 [0,1,0,0,0,1|2,0,0]=4 5438 B13R1.470 COCC(C)Sc1ccncc1C 62a_100000765312_100000765111 [0,1,0,0,0,1|2,0,0]=4 5439 B13R1.470 COCC(C)Sc1ccncc1Cl 62a_100000708259_100000765312 [0,1,0,0,0,1|2,0,0]=4 5440 B13R1.470 COCC(C)Sc1ccncc1Cl 62a_100000765312_100000708259 [0,1,0,0,0,1|2,0,0]=4 5441 B13R1.470 COCC(C)Sc1ccncc1F 62a_100000047030_100000765312 [0,1,0,0,0,1|2,0,0]=4 5442 B13R1.470 COCC(C)Sc1ccncc1F 62a_100000765312_100000047030 [0,1,0,0,0,1|2,0,0]=4 5443 B13R1.470 COCC(C)Sc1ccncc1N 62a_100000756074_100000765312 [0,1,0,0,0,1|2,0,0]=4 5444 B13R1.470 COCC(C)Sc1ccncc1N 62a_100000765312_100000756074 [0,1,0,0,0,1|2,0,0]=4 5445 B13R1.470 COCC(C)Sc1ccncc1O 62a_100000765312_100009817591 [0,1,0,0,0,1|2,0,0]=4 5446 B13R1.470 COCC(C)Sc1ccncc1O 62a_100009817591_100000765312 [0,1,0,0,0,1|2,0,0]=4 5447 B13R1.470 COCC(C)Sc1cnccc1Br 62a_100000765312_100010138639 [0,1,0,0,0,1|2,0,0]=4 5448 B13R1.470 COCC(C)Sc1cnccc1Br 62a_100010138639_100000765312 [0,1,0,0,0,1|2,0,0]=4 5449 B13R1.470 COCC(C)Sc1cnccc1C 62a_100000761580_100000765312 [0,1,0,0,0,1|2,0,0]=4 5450 B13R1.470 COCC(C)Sc1cnccc1C 62a_100000765312_100000761580 [0,1,0,0,0,1|2,0,0]=4 5451 B13R1.470 COCC(C)Sc1cnccc1Cl 62a_100000765312_100009995489 [0,1,0,0,0,1|2,0,0]=4 5452 B13R1.470 COCC(C)Sc1cnccc1Cl 62a_100009995489_100000765312 [0,1,0,0,0,1|2,0,0]=4 5453 B13R1.470 COCC(C)Sc1cnccc1F 62a_100000765312_100009820683 [0,1,0,0,0,1|2,0,0]=4 5454 B13R1.470 COCC(C)Sc1cnccc1F 62a_100009820683_100000765312 [0,1,0,0,0,1|2,0,0]=4 5455 B13R1.470 COCC(C)Sc1cnccc1N 62a_100000047001_100000765312 [0,1,0,0,0,1|2,0,0]=4 5456 B13R1.470 COCC(C)Sc1cnccc1N 62a_100000765312_100000047001 [0,1,0,0,0,1|2,0,0]=4 5457 B13R1.470 COCC(C)Sc1ncccc1Br 62a_100000696092_100000765312 [0,1,0,0,0,1|2,0,0]=4 5458 B13R1.470 COCC(C)Sc1ncccc1Br 62a_100000765312_100000696092 [0,1,0,0,0,1|2,0,0]=4 5459 B13R1.470 COCC(C)Sc1ncccc1C 62a_100000751373_100000765312 [0,1,0,0,0,1|2,0,0]=4 5460 B13R1.470 COCC(C)Sc1ncccc1C 62a_100000765312_100000751373 [0,1,0,0,0,1|2,0,0]=4 5461 B13R1.470 COCC(C)Sc1ncccc1Cl 62a_100000765312_100011356963 [0,1,0,0,0,1|2,0,0]=4 5462 B13R1.470 COCC(C)Sc1ncccc1Cl 62a_100011356963_100000765312 [0,1,0,0,0,1|2,0,0]=4 5463 B13R1.470 COCC(C)Sc1ncccc1F 62a_100000685392_100000765312 [0,1,0,0,0,1|2,0,0]=4 5464 B13R1.470 COCC(C)Sc1ncccc1F 62a_100000765312_100000685392 [0,1,0,0,0,1|2,0,0]=4 5465 B13R1.470 COCC(C)Sc1ncccc1N 62a_100000688686_100000765312 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.470 COCC(C)Sc1ncccc1N 62a_100000765312_100000688686 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.470 COCC(C)Sc1ncccc1O 62a_100000034122_100000765312 [0,1,0,0,0,1|2,0,0]=4 5468 B13R1.470 COCC(C)Sc1ncccc1O 62a_100000765312_100000034122 [0,1,0,0,0,1|2,0,0]=4 5469 B13R1.470 COCC(N)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,1,0,0,0,1|2,0,0]=4 5470 B13R1.470 COCN(C)Cc1ccccc1Br 2230a_100000184654_100000766300 [0,1,0,0,0,1|2,0,0]=4 5471 B13R1.470 COCN(C)Cc1ccccc1Br 269982a_100000184654_100000766300 [0,1,0,0,0,1|2,0,0]=4 5472 B13R1.470 COCN(C)Cc1ccccc1C 2230a_100000184421_100000766300 [0,1,0,0,0,1|2,0,0]=4 5473 B13R1.470 COCN(C)Cc1ccccc1C 269982a_100000184421_100000766300 [0,1,0,0,0,1|2,0,0]=4 5474 B13R1.470 COCN(C)Cc1ccccc1Cl 2230a_100000184507_100000766300 [0,1,0,0,0,1|2,0,0]=4 5475 B13R1.470 COCN(C)Cc1ccccc1Cl 269982a_100000184507_100000766300 [0,1,0,0,0,1|2,0,0]=4 5476 B13R1.470 COCN(C)Cc1ccccc1F 2230a_100000742528_100000766300 [0,1,0,0,0,1|2,0,0]=4 5477 B13R1.470 COCN(C)Cc1ccccc1F 269982a_100000742528_100000766300 [0,1,0,0,0,1|2,0,0]=4 5478 B13R1.470 COCN(C)Cc1ccccc1O 2230a_100015189988_100000766300 [0,1,0,0,0,1|2,0,0]=4 5479 B13R1.470 COCN(C)Cc1ccccc1O 269982a_100015189988_100000766300 [0,1,0,0,0,1|2,0,0]=4 5480 B13R1.470 COC[C@@H](C)Nc1ccncc1Br 27a_100000764878_100000726257 [0,1,0,0,0,1|2,0,0]=4 5481 B13R1.470 COC[C@@H](C)Nc1ccncc1C 27a_100000764878_100000765111 [0,1,0,0,0,1|2,0,0]=4 5482 B13R1.470 COC[C@@H](C)Nc1ccncc1F 27a_100000764878_100000035921 [0,1,0,0,0,1|2,0,0]=4 5483 B13R1.470 COC[C@@H](C)Nc1ncccc1Br 27a_100000764878_100000696092 [0,1,0,0,0,1|2,0,0]=4 5484 B13R1.470 CSCN(C)Cc1ccccc1Br 2230a_100000184654_100011218213 [0,1,0,0,0,1|2,0,0]=4 5485 B13R1.470 CSCN(C)Cc1ccccc1Br 269982a_100000184654_100011218213 [0,1,0,0,0,1|2,0,0]=4 5486 B13R1.470 CSCN(C)Cc1ccccc1C 2230a_100000184421_100011218213 [0,1,0,0,0,1|2,0,0]=4 5487 B13R1.470 CSCN(C)Cc1ccccc1C 269982a_100000184421_100011218213 [0,1,0,0,0,1|2,0,0]=4 5488 B13R1.470 CSCN(C)Cc1ccccc1Cl 2230a_100000184507_100011218213 [0,1,0,0,0,1|2,0,0]=4 5489 B13R1.470 CSCN(C)Cc1ccccc1Cl 269982a_100000184507_100011218213 [0,1,0,0,0,1|2,0,0]=4 5490 B13R1.470 CSCN(C)Cc1ccccc1F 2230a_100000742528_100011218213 [0,1,0,0,0,1|2,0,0]=4 5491 B13R1.470 CSCN(C)Cc1ccccc1F 269982a_100000742528_100011218213 [0,1,0,0,0,1|2,0,0]=4 5492 B13R1.470 CSCN(C)Cc1ccccc1F 34a_100000742528_100011218213 [0,1,0,0,0,1|2,0,0]=4 5493 B13R1.470 CSCN(C)Cc1ccccc1O 2230a_100015189988_100011218213 [0,1,0,0,0,1|2,0,0]=4 5494 B13R1.470 CSCN(C)Cc1ccccc1O 269982a_100015189988_100011218213 [0,1,0,0,0,1|2,0,0]=4 5495 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,1,0,0,0,1|1,0,1]=4 5496 B13R1.470 Cc1ccccc1NC(C)CCO 34a_100015192222_100009893172 [0,1,0,0,0,1|2,0,0]=4 5497 B13R1.470 Cc1ccccc1OC(C)CC#N 7a_100000210338_100009813641 [0,1,0,0,0,1|2,0,0]=4 5498 B13R1.470 Cc1ccccc1OC(C)CCO 34a_100000210338_100009893172 [0,1,0,0,0,1|2,0,0]=4 5499 B13R1.470 Cc1ccccc1OC(C)CCO 7a_100000210338_100009893172 [0,1,0,0,0,1|2,0,0]=4 5500 B13R1.470 Cc1ccccc1SC(C)CC#N 62a_100000210755_100009813641 [0,1,0,0,0,1|2,0,0]=4 5501 B13R1.470 Cc1ccccc1SC(C)CC#N 62a_100009813641_100000210755 [0,1,0,0,0,1|2,0,0]=4 5502 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100000210755_100009893172 [0,1,0,0,0,1|2,0,0]=4 5503 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100009893172_100000210755 [0,1,0,0,0,1|2,0,0]=4 5504 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,1,0,0,0,1|1,0,1]=4 5505 B13R1.470 [13CH3]OCC(N)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,1,0,0,0,1|2,0,0]=4 5506 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,1,0,0,0,1|2,0,0]=4 5507 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 34a_100011466436_200000210301 [0,2,0,0,0,0|1,0,1]=4 5508 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 7a_100011466436_200000210301 [0,2,0,0,0,0|1,0,1]=4 5509 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 34a_200011466439_200000210301 [0,2,0,0,0,0|1,0,1]=4 5510 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 7a_200011466439_200000210301 [0,2,0,0,0,0|1,0,1]=4 5511 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 34a_100011466436_200025704644 [0,2,0,0,0,0|1,0,1]=4 5512 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 7a_100011466436_200025704644 [0,2,0,0,0,0|1,0,1]=4 5513 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 34a_200011466439_200025704644 [0,2,0,0,0,0|1,0,1]=4 5514 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 7a_200011466439_200025704644 [0,2,0,0,0,0|1,0,1]=4 5515 B13R1.1 CCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011267722 [0,2,0,0,0,0|1,0,0]=3 5516 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,2,0,0,0,0|1,0,0]=3 5517 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,2,0,0,0,0|1,0,0]=3 5518 B13R1.1 CCCC(NC)c1ccc(cc1)F 269862a_106832991636_100011267477 [0,2,0,0,0,0|1,0,0]=3 5519 B13R1.1 CCCC(NC)c1ccc(nc1)Cl 269862a_106832991636_200012185933 [0,2,0,0,0,0|2,0,0]=4 5520 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [0,2,0,0,0,0|1,0,0]=3 5521 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [0,2,0,0,0,0|1,0,0]=3 5522 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [0,2,0,0,0,0|1,0,0]=3 5523 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [0,2,0,0,0,0|1,0,0]=3 5524 B13R1.1 CCCN(CC)c1ccc(cc1)Br 2230a_100000219632_100000210303 [0,2,0,0,0,0|2,0,0]=4 5525 B13R1.1 CCCN(CC)c1ccc(cc1)Br 269982a_100000219632_100000210303 [0,2,0,0,0,0|2,0,0]=4 5526 B13R1.1 CCCN(CC)c1ccc(cc1)Br 34a_100000219632_100000210303 [0,2,0,0,0,0|2,0,0]=4 5527 B13R1.1 CCCN(CC)c1ccc(cc1)C 2230a_100000219985_100000210303 [0,2,0,0,0,0|2,0,0]=4 5528 B13R1.1 CCCN(CC)c1ccc(cc1)C 269982a_100000219985_100000210303 [0,2,0,0,0,0|2,0,0]=4 5529 B13R1.1 CCCN(CC)c1ccc(cc1)C 34a_100000219985_100000210303 [0,2,0,0,0,0|2,0,0]=4 5530 B13R1.1 CCCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000210303 [0,2,0,0,0,0|2,0,0]=4 5531 B13R1.1 CCCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000210303 [0,2,0,0,0,0|2,0,0]=4 5532 B13R1.1 CCCN(CC)c1ccc(cc1)Cl 34a_100000220165_100000210303 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.1 CCCN(CC)c1ccc(cc1)F 2230a_100102640331_100000210303 [0,2,0,0,0,0|2,0,0]=4 5534 B13R1.1 CCCN(CC)c1ccc(cc1)F 269982a_100102640331_100000210303 [0,2,0,0,0,0|2,0,0]=4 5535 B13R1.1 CCCN(CC)c1ccc(cc1)F 34a_100102640331_100000210303 [0,2,0,0,0,0|2,0,0]=4 5536 B13R1.1 CCCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210303 [0,2,0,0,0,0|2,0,0]=4 5537 B13R1.1 CCCN(CC)c1ccc(cc1)O 269982a_100011337800_100000210303 [0,2,0,0,0,0|2,0,0]=4 5538 B13R1.1 CCCN(CC)c1ccc(cc1)O 34a_100011337800_100000210303 [0,2,0,0,0,0|2,0,0]=4 5539 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,2,0,0,0,0|1,0,0]=3 5540 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,2,0,0,0,0|1,0,0]=3 5541 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,2,0,0,0,0|1,0,0]=3 5542 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,2,0,0,0,0|1,0,0]=3 5543 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 2230a_100020612123_200000210301 [0,2,0,0,0,0|1,0,0]=3 5544 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 34a_100020612123_200000210301 [0,2,0,0,0,0|1,0,0]=3 5545 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 2230a_100020612123_200025704644 [0,2,0,0,0,0|1,0,0]=3 5546 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 34a_100020612123_200025704644 [0,2,0,0,0,0|1,0,0]=3 5547 B13R1.1 CCN(COC)c1ccc(cc1)Br 2230a_100000219632_100000766300 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.1 CCN(COC)c1ccc(cc1)Br 269982a_100000219632_100000766300 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.1 CCN(COC)c1ccc(cc1)C 2230a_100000219985_100000766300 [0,2,0,0,0,0|2,0,0]=4 5550 B13R1.1 CCN(COC)c1ccc(cc1)C 269982a_100000219985_100000766300 [0,2,0,0,0,0|2,0,0]=4 5551 B13R1.1 CCN(COC)c1ccc(cc1)Cl 2230a_100000220165_100000766300 [0,2,0,0,0,0|2,0,0]=4 5552 B13R1.1 CCN(COC)c1ccc(cc1)Cl 269982a_100000220165_100000766300 [0,2,0,0,0,0|2,0,0]=4 5553 B13R1.1 CCN(COC)c1ccc(cc1)F 2230a_100102640331_100000766300 [0,2,0,0,0,0|2,0,0]=4 5554 B13R1.1 CCN(COC)c1ccc(cc1)F 269982a_100102640331_100000766300 [0,2,0,0,0,0|2,0,0]=4 5555 B13R1.1 CCN(COC)c1ccc(cc1)O 2230a_100011337800_100000766300 [0,2,0,0,0,0|2,0,0]=4 5556 B13R1.1 CCN(COC)c1ccc(cc1)O 269982a_100011337800_100000766300 [0,2,0,0,0,0|2,0,0]=4 5557 B13R1.1 CCN(CSC)c1ccc(cc1)Br 2230a_100000219632_100011218213 [0,2,0,0,0,0|2,0,0]=4 5558 B13R1.1 CCN(CSC)c1ccc(cc1)Br 269982a_100000219632_100011218213 [0,2,0,0,0,0|2,0,0]=4 5559 B13R1.1 CCN(CSC)c1ccc(cc1)Br 34a_100000219632_100011218213 [0,2,0,0,0,0|2,0,0]=4 5560 B13R1.1 CCN(CSC)c1ccc(cc1)C 2230a_100000219985_100011218213 [0,2,0,0,0,0|2,0,0]=4 5561 B13R1.1 CCN(CSC)c1ccc(cc1)C 269982a_100000219985_100011218213 [0,2,0,0,0,0|2,0,0]=4 5562 B13R1.1 CCN(CSC)c1ccc(cc1)C 34a_100000219985_100011218213 [0,2,0,0,0,0|2,0,0]=4 5563 B13R1.1 CCN(CSC)c1ccc(cc1)Cl 2230a_100000220165_100011218213 [0,2,0,0,0,0|2,0,0]=4 5564 B13R1.1 CCN(CSC)c1ccc(cc1)Cl 269982a_100000220165_100011218213 [0,2,0,0,0,0|2,0,0]=4 5565 B13R1.1 CCN(CSC)c1ccc(cc1)Cl 34a_100000220165_100011218213 [0,2,0,0,0,0|2,0,0]=4 5566 B13R1.1 CCN(CSC)c1ccc(cc1)F 2230a_100102640331_100011218213 [0,2,0,0,0,0|2,0,0]=4 5567 B13R1.1 CCN(CSC)c1ccc(cc1)F 269982a_100102640331_100011218213 [0,2,0,0,0,0|2,0,0]=4 5568 B13R1.1 CCN(CSC)c1ccc(cc1)F 34a_100102640331_100011218213 [0,2,0,0,0,0|2,0,0]=4 5569 B13R1.1 CCN(CSC)c1ccc(cc1)O 2230a_100011337800_100011218213 [0,2,0,0,0,0|2,0,0]=4 5570 B13R1.1 CCN(CSC)c1ccc(cc1)O 269982a_100011337800_100011218213 [0,2,0,0,0,0|2,0,0]=4 5571 B13R1.1 CCN(CSC)c1ccc(cc1)O 34a_100011337800_100011218213 [0,2,0,0,0,0|2,0,0]=4 5572 B13R1.1 CCNC(CC)c1ccc(cc1)Br 269862a_100015525214_100000211647 [0,2,0,0,0,0|2,0,0]=4 5573 B13R1.1 CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210202 [0,2,0,0,0,0|2,0,0]=4 5574 B13R1.1 CCNC(CC)c1ccc(cc1)C 269862a_100015525214_100000185863 [0,2,0,0,0,0|2,0,0]=4 5575 B13R1.1 CCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210202 [0,2,0,0,0,0|2,0,0]=4 5576 B13R1.1 CCNC(CC)c1ccc(cc1)Cl 269862a_100015525214_100000210983 [0,2,0,0,0,0|2,0,0]=4 5577 B13R1.1 CCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210202 [0,2,0,0,0,0|2,0,0]=4 5578 B13R1.1 CCNC(CC)c1ccc(cc1)F 269862a_100015525214_100000211089 [0,2,0,0,0,0|2,0,0]=4 5579 B13R1.1 CCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210202 [0,2,0,0,0,0|2,0,0]=4 5580 B13R1.1 CCNC(CC)c1ccc(cc1)I 269862a_100015525214_100000763097 [0,2,0,0,0,0|2,0,0]=4 5581 B13R1.1 CCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210202 [0,2,0,0,0,0|2,0,0]=4 5582 B13R1.1 CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 5583 B13R1.1 CCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 5584 B13R1.1 CCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 5585 B13R1.1 CCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 5586 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210202 [0,2,0,0,0,0|2,0,0]=4 5587 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210202 [0,2,0,0,0,0|2,0,0]=4 5588 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210202 [0,2,0,0,0,0|2,0,0]=4 5589 B13R1.1 CCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210202 [0,2,0,0,0,0|2,0,0]=4 5590 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 5591 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 5592 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 5593 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 5594 B13R1.1 CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210202 [0,2,0,0,0,0|2,0,0]=4 5595 B13R1.1 CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210202 [0,2,0,0,0,0|2,0,0]=4 5596 B13R1.1 CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210202 [0,2,0,0,0,0|2,0,0]=4 5597 B13R1.1 CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210202 [0,2,0,0,0,0|2,0,0]=4 5598 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210202 [0,2,0,0,0,0|2,0,0]=4 5599 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210202 [0,2,0,0,0,0|2,0,0]=4 5600 B13R1.1 CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210202 [0,2,0,0,0,0|2,0,0]=4 5601 B13R1.1 CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210202 [0,2,0,0,0,0|2,0,0]=4 5602 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 5603 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 5604 B13R1.1 CCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,2,0,0,0,0|2,0,0]=4 5605 B13R1.1 CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|2,0,0]=4 5606 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210202 [0,2,0,0,0,0|2,0,0]=4 5607 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210202 [0,2,0,0,0,0|2,0,0]=4 5608 B13R1.1 CNC(CCO)c1ccc(cc1)C 2230a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 5609 B13R1.1 CNC(CCO)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 5610 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 5611 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 5612 B13R1.1 CNC(CCO)c1ccc(cc1)F 2230a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 5613 B13R1.1 CNC(CCO)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 5614 B13R1.1 CNC(COC)c1ccc(cc1)Br 269862a_106832991636_200011343064 [0,2,0,0,0,0|1,0,0]=3 5615 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 5616 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 5617 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 2230a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 5618 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 5619 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 5620 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 5621 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 2230a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 5622 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 5623 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 5624 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 5625 B13R1.2 C=CCC(NC)c1cccc(c1)Cl 2230a_100025714385_200000210301 [0,2,0,0,0,0|1,0,1]=4 5626 B13R1.2 C=CCC(NC)c1cccc(c1)Cl 34a_100025714385_200000210301 [0,2,0,0,0,0|1,0,1]=4 5627 B13R1.2 C=CCC(N[13CH3])c1cccc(c1)Cl 2230a_100025714385_200025704644 [0,2,0,0,0,0|1,0,1]=4 5628 B13R1.2 C=CCC(N[13CH3])c1cccc(c1)Cl 34a_100025714385_200025704644 [0,2,0,0,0,0|1,0,1]=4 5629 B13R1.2 CCCN(CC)c1cccc(c1)Br 2230a_100000738899_100000210303 [0,2,0,0,0,0|2,0,0]=4 5630 B13R1.2 CCCN(CC)c1cccc(c1)Br 269982a_100000738899_100000210303 [0,2,0,0,0,0|2,0,0]=4 5631 B13R1.2 CCCN(CC)c1cccc(c1)Br 34a_100000738899_100000210303 [0,2,0,0,0,0|2,0,0]=4 5632 B13R1.2 CCCN(CC)c1cccc(c1)C 2230a_100000182157_100000210303 [0,2,0,0,0,0|2,0,0]=4 5633 B13R1.2 CCCN(CC)c1cccc(c1)C 269982a_100000182157_100000210303 [0,2,0,0,0,0|2,0,0]=4 5634 B13R1.2 CCCN(CC)c1cccc(c1)C 34a_100000182157_100000210303 [0,2,0,0,0,0|2,0,0]=4 5635 B13R1.2 CCCN(CC)c1cccc(c1)C 7a_100000182157_100000210303 [0,2,0,0,0,0|2,0,0]=4 5636 B13R1.2 CCCN(CC)c1cccc(c1)O 2230a_100000717746_100000210303 [0,2,0,0,0,0|2,0,0]=4 5637 B13R1.2 CCCN(CC)c1cccc(c1)O 269982a_100000717746_100000210303 [0,2,0,0,0,0|2,0,0]=4 5638 B13R1.2 CCCN(CC)c1cccc(c1)O 34a_100000717746_100000210303 [0,2,0,0,0,0|2,0,0]=4 5639 B13R1.2 CCN(COC)c1cccc(c1)Br 2230a_100000738899_100000766300 [0,2,0,0,0,0|2,0,0]=4 5640 B13R1.2 CCN(COC)c1cccc(c1)Br 269982a_100000738899_100000766300 [0,2,0,0,0,0|2,0,0]=4 5641 B13R1.2 CCN(COC)c1cccc(c1)C 2230a_100000182157_100000766300 [0,2,0,0,0,0|2,0,0]=4 5642 B13R1.2 CCN(COC)c1cccc(c1)C 269982a_100000182157_100000766300 [0,2,0,0,0,0|2,0,0]=4 5643 B13R1.2 CCN(COC)c1cccc(c1)O 2230a_100000717746_100000766300 [0,2,0,0,0,0|2,0,0]=4 5644 B13R1.2 CCN(COC)c1cccc(c1)O 269982a_100000717746_100000766300 [0,2,0,0,0,0|2,0,0]=4 5645 B13R1.2 CCN(CSC)c1cccc(c1)Br 2230a_100000738899_100011218213 [0,2,0,0,0,0|2,0,0]=4 5646 B13R1.2 CCN(CSC)c1cccc(c1)Br 269982a_100000738899_100011218213 [0,2,0,0,0,0|2,0,0]=4 5647 B13R1.2 CCN(CSC)c1cccc(c1)Br 34a_100000738899_100011218213 [0,2,0,0,0,0|2,0,0]=4 5648 B13R1.2 CCN(CSC)c1cccc(c1)C 2230a_100000182157_100011218213 [0,2,0,0,0,0|2,0,0]=4 5649 B13R1.2 CCN(CSC)c1cccc(c1)C 269982a_100000182157_100011218213 [0,2,0,0,0,0|2,0,0]=4 5650 B13R1.2 CCN(CSC)c1cccc(c1)C 34a_100000182157_100011218213 [0,2,0,0,0,0|2,0,0]=4 5651 B13R1.2 CCN(CSC)c1cccc(c1)O 2230a_100000717746_100011218213 [0,2,0,0,0,0|2,0,0]=4 5652 B13R1.2 CCN(CSC)c1cccc(c1)O 269982a_100000717746_100011218213 [0,2,0,0,0,0|2,0,0]=4 5653 B13R1.2 CCN(CSC)c1cccc(c1)O 34a_100000717746_100011218213 [0,2,0,0,0,0|2,0,0]=4 5654 B13R1.2 CCNC(CC)c1cccc(c1)Br 269862a_100015525214_100000211677 [0,2,0,0,0,0|2,0,0]=4 5655 B13R1.2 CCNC(CC)c1cccc(c1)C 269862a_100015525214_100000730664 [0,2,0,0,0,0|2,0,0]=4 5656 B13R1.2 CCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210202 [0,2,0,0,0,0|2,0,0]=4 5657 B13R1.2 CCNC(CC)c1cccc(c1)Cl 269862a_100015525214_100000211052 [0,2,0,0,0,0|2,0,0]=4 5658 B13R1.2 CCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000210202 [0,2,0,0,0,0|2,0,0]=4 5659 B13R1.2 CCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210202 [0,2,0,0,0,0|2,0,0]=4 5660 B13R1.2 CCNC(CC)c1cccc(c1)F 269862a_100015525214_100000687998 [0,2,0,0,0,0|2,0,0]=4 5661 B13R1.2 CCNC(CC)c1cccc(c1)F 34a_100159265421_100000210202 [0,2,0,0,0,0|2,0,0]=4 5662 B13R1.2 CCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210202 [0,2,0,0,0,0|2,0,0]=4 5663 B13R1.2 CCNC(CC)c1cccc(c1)O 269862a_100015525214_100011996911 [0,2,0,0,0,0|2,0,0]=4 5664 B13R1.2 CCNC(CC)c1cccc(c1)O 34a_100159312145_100000210202 [0,2,0,0,0,0|2,0,0]=4 5665 B13R1.2 CCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 5666 B13R1.2 CCNC(CO)c1cccc(c1)Br 34a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 5667 B13R1.2 CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210202 [0,2,0,0,0,0|2,0,0]=4 5668 B13R1.2 CCNC(CO)c1cccc(c1)O 34a_100025717460_100000210202 [0,2,0,0,0,0|2,0,0]=4 5669 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210202 [0,2,0,0,0,0|2,0,0]=4 5670 B13R1.2 CCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000210202 [0,2,0,0,0,0|2,0,0]=4 5671 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 5672 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 5673 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210202 [0,2,0,0,0,0|2,0,0]=4 5674 B13R1.2 CCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210202 [0,2,0,0,0,0|2,0,0]=4 5675 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 5676 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 5677 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 5678 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 5679 B13R1.2 CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210202 [0,2,0,0,0,0|2,0,0]=4 5680 B13R1.2 CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210202 [0,2,0,0,0,0|2,0,0]=4 5681 B13R1.2 CCOC(CC)c1cccc(c1)F 34a_100011350881_100000210202 [0,2,0,0,0,0|2,0,0]=4 5682 B13R1.2 CCOC(CC)c1cccc(c1)F 7a_100011350881_100000210202 [0,2,0,0,0,0|2,0,0]=4 5683 B13R1.2 CCOC(CC)c1cccc(c1)I 34a_200013212081_100000210202 [0,2,0,0,0,0|2,0,0]=4 5684 B13R1.2 CCOC(CC)c1cccc(c1)I 7a_200013212081_100000210202 [0,2,0,0,0,0|2,0,0]=4 5685 B13R1.2 CNC(CCO)c1cccc(c1)Br 2230a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 5686 B13R1.2 CNC(CCO)c1cccc(c1)Br 34a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 5687 B13R1.2 CNC(CCO)c1cccc(c1)C 2230a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 5688 B13R1.2 CNC(CCO)c1cccc(c1)C 34a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 5689 B13R1.2 CNC(CCO)c1cccc(c1)Cl 2230a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 5690 B13R1.2 CNC(CCO)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 5691 B13R1.2 CNC(CCO)c1cccc(c1)F 2230a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 5692 B13R1.2 CNC(CCO)c1cccc(c1)F 34a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 5693 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [0,2,0,0,0,0|0,0,0]=2 5694 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [0,2,0,0,0,0|0,0,0]=2 5695 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200000210301 [0,2,0,0,0,0|2,0,0]=4 5696 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200000210301 [0,2,0,0,0,0|2,0,0]=4 5697 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 2230a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 5698 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 34a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 5699 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 2230a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 5700 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 34a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 5701 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 2230a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 5702 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 5703 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 2230a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 5704 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 34a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 5705 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200025704644 [0,2,0,0,0,0|2,0,0]=4 5706 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200025704644 [0,2,0,0,0,0|2,0,0]=4 5707 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,2,0,0,0,0|1,0,1]=4 5708 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,2,0,0,0,0|1,0,1]=4 5709 B13R1.26 C#CC(OCSC)c1ccccc1 34a_100011219616_100011218213 [0,2,0,0,0,0|1,0,1]=4 5710 B13R1.26 C#CCNC(CC)c1ccccc1 2230a_100000737752_100000038162 [0,2,0,0,0,0|1,0,1]=4 5711 B13R1.26 C#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000038162 [0,2,0,0,0,0|1,0,1]=4 5712 B13R1.26 C#CCN[C@H](CO)c1ccccc1 34a_100000751927_100000184674 [0,2,0,0,0,0|1,0,1]=4 5713 B13R1.26 C#CCOC(CBr)c1ccccc1 7a_100000185958_100000038162 [0,2,0,0,0,0|1,0,1]=4 5714 B13R1.26 C#CCOC(CC)c1ccccc1 34a_100000698172_100000184674 [0,2,0,0,0,0|1,0,1]=4 5715 B13R1.26 C#CCOC(CC)c1ccccc1 7a_100000698172_100000038162 [0,2,0,0,0,0|1,0,1]=4 5716 B13R1.26 C#CCOC(CN)c1ccccc1 34a_100000210709_100000184674 [0,2,0,0,0,0|1,0,1]=4 5717 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000184674 [0,2,0,0,0,0|1,0,1]=4 5718 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000038162 [0,2,0,0,0,0|1,0,1]=4 5719 B13R1.26 C/C=C/CN(CC)c1ccccc1 269982a_100000210013_100102629194 [0,2,0,0,0,0|2,0,0]=4 5720 B13R1.26 C/C=C/CN(CC)c1ccccc1 34a_100000210013_100102629194 [0,2,0,0,0,0|2,0,0]=4 5721 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,2,0,0,0,0|1,0,1]=4 5722 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,2,0,0,0,0|1,0,1]=4 5723 B13R1.26 C=CC(OCSC)c1ccccc1 34a_100011215659_100011218213 [0,2,0,0,0,0|1,0,1]=4 5724 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [0,2,0,0,0,0|1,0,1]=4 5725 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [0,2,0,0,0,0|1,0,1]=4 5726 B13R1.26 C=CC(SCOC)c1ccccc1 62a_100000766300_200000085779 [0,2,0,0,0,0|1,0,1]=4 5727 B13R1.26 C=CC(SCOC)c1ccccc1 62a_200000085779_100000766300 [0,2,0,0,0,0|1,0,1]=4 5728 B13R1.26 C=CC(SCSC)c1ccccc1 62a_100011218213_200000085779 [0,2,0,0,0,0|1,0,1]=4 5729 B13R1.26 C=CC(SCSC)c1ccccc1 62a_200000085779_100011218213 [0,2,0,0,0,0|1,0,1]=4 5730 B13R1.26 C=CCNC(CC)c1ccccc1 2230a_100000737752_100000210623 [0,2,0,0,0,0|1,0,1]=4 5731 B13R1.26 C=CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210623 [0,2,0,0,0,0|1,0,1]=4 5732 B13R1.26 C=CCN[C@H](CO)c1ccccc1 34a_100000751927_100015514636 [0,2,0,0,0,0|1,0,1]=4 5733 B13R1.26 C=CCOC(CBr)c1ccccc1 7a_100000185958_100015514636 [0,2,0,0,0,0|1,0,1]=4 5734 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [0,2,0,0,0,0|1,0,1]=4 5735 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [0,2,0,0,0,0|1,0,1]=4 5736 B13R1.26 C=CCOC(CN)c1ccccc1 34a_100000210709_100015514636 [0,2,0,0,0,0|1,0,1]=4 5737 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 34a_100011933945_100015514636 [0,2,0,0,0,0|1,0,1]=4 5738 B13R1.26 C=CCO[C@H](CCl)c1ccccc1 7a_100011933945_100015514636 [0,2,0,0,0,0|1,0,1]=4 5739 B13R1.26 CC#CCN(CC)c1ccccc1 2230a_100000210013_100000748600 [0,2,0,0,0,0|2,0,0]=4 5740 B13R1.26 CC#CCN(CC)c1ccccc1 34a_100000210013_100000748600 [0,2,0,0,0,0|2,0,0]=4 5741 B13R1.26 CC=CCN(CC)c1ccccc1 2230a_100000210013_100000070051 [0,2,0,0,0,0|2,0,0]=4 5742 B13R1.26 CC=CCN(CC)c1ccccc1 34a_100000210013_100000070051 [0,2,0,0,0,0|2,0,0]=4 5743 B13R1.26 CCC(COCF)c1ccccc1 34a_100000752371_100015361967 [0,2,0,0,0,0|1,0,0]=3 5744 B13R1.26 CCC(COCF)c1ccccc1 7a_100000752371_100015361967 [0,2,0,0,0,0|1,0,0]=3 5745 B13R1.26 CCC(NCC#N)c1ccccc1 2230a_100000737752_100011215382 [0,2,0,0,0,0|2,0,0]=4 5746 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [0,2,0,0,0,0|2,0,0]=4 5747 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,2,0,0,0,0|2,0,0]=4 5748 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,2,0,0,0,0|2,0,0]=4 5749 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,2,0,0,0,0|2,0,0]=4 5750 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,2,0,0,0,0|2,0,0]=4 5751 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [0,2,0,0,0,0|1,0,0]=3 5752 B13R1.26 CCC(NCOC)c1ccccn1 2230a_100015186561_100000766300 [0,2,0,0,0,0|2,0,0]=4 5753 B13R1.26 CCC(NCOC)c1cccnc1 2230a_100000246009_100000766300 [0,2,0,0,0,0|2,0,0]=4 5754 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [0,2,0,0,0,0|1,0,0]=3 5755 B13R1.26 CCC(NCSC)c1ccccn1 2230a_100015186561_100011218213 [0,2,0,0,0,0|2,0,0]=4 5756 B13R1.26 CCC(NCSC)c1cccnc1 2230a_100000246009_100011218213 [0,2,0,0,0,0|2,0,0]=4 5757 B13R1.26 CCC(OCC#N)c1ccccc1 7a_100000698172_100011215382 [0,2,0,0,0,0|2,0,0]=4 5758 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [0,2,0,0,0,0|2,0,0]=4 5759 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [0,2,0,0,0,0|2,0,0]=4 5760 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,2,0,0,0,0|2,0,0]=4 5761 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,2,0,0,0,0|2,0,0]=4 5762 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,2,0,0,0,0|2,0,0]=4 5763 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,2,0,0,0,0|2,0,0]=4 5764 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,2,0,0,0,0|1,0,0]=3 5765 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,2,0,0,0,0|1,0,0]=3 5766 B13R1.26 CCCCC(NC)c1cccnc1 2230a_200011711859_200000210301 [0,2,0,0,0,0|2,0,0]=4 5767 B13R1.26 CCCCC(NC)c1cccnc1 269862a_106832991636_200011709925 [0,2,0,0,0,0|2,0,0]=4 5768 B13R1.26 CCCCC(NC)c1ccncc1 2230a_100015203128_200000210301 [0,2,0,0,0,0|2,0,0]=4 5769 B13R1.26 CCCCC(N[13CH3])c1cccnc1 2230a_200011711859_200025704644 [0,2,0,0,0,0|2,0,0]=4 5770 B13R1.26 CCCCC(N[13CH3])c1ccncc1 2230a_100015203128_200025704644 [0,2,0,0,0,0|2,0,0]=4 5771 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 5772 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 5773 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 5774 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 5775 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000210013_100000210211 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000211623_100000210202 [0,2,0,0,0,0|2,0,0]=4 5777 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000210013_100000210211 [0,2,0,0,0,0|2,0,0]=4 5778 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000211623_100000204670 [0,2,0,0,0,0|2,0,0]=4 5779 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000210013_100000210210 [0,2,0,0,0,0|2,0,0]=4 5780 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000211623_100000210202 [0,2,0,0,0,0|2,0,0]=4 5781 B13R1.26 CCCCN(CF)c1ccccc1 269982a_100000211623_100015361967 [0,2,0,0,0,0|2,0,0]=4 5782 B13R1.26 CCCCN(CF)c1ccccc1 34a_100000211623_100015361967 [0,2,0,0,0,0|2,0,0]=4 5783 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,2,0,0,0,0|1,0,0]=3 5784 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,2,0,0,0,0|1,0,0]=3 5785 B13R1.26 CCCNC(CC)c1ccccn1 2230a_100015186561_100000210303 [0,2,0,0,0,0|2,0,0]=4 5786 B13R1.26 CCCNC(CC)c1ccccn1 269862a_100020643023_100000748178 [0,2,0,0,0,0|2,0,0]=4 5787 B13R1.26 CCCNC(CC)c1cccnc1 2230a_100000246009_100000210303 [0,2,0,0,0,0|2,0,0]=4 5788 B13R1.26 CCCNC(CC)c1cccnc1 269862a_100020643023_100011218761 [0,2,0,0,0,0|2,0,0]=4 5789 B13R1.26 CCCNC(CC)c1ccncc1 269862a_100020643023_100011216016 [0,2,0,0,0,0|2,0,0]=4 5790 B13R1.26 CCCNC(CO)c1ccccn1 2230a_100015196888_100000210303 [0,2,0,0,0,0|2,0,0]=4 5791 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,2,0,0,0,0|1,0,0]=3 5792 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|1,0,0]=3 5793 B13R1.26 CCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210303 [0,2,0,0,0,0|2,0,0]=4 5794 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,2,0,0,0,0|1,0,1]=4 5795 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,2,0,0,0,0|1,0,0]=3 5796 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,2,0,0,0,0|1,0,0]=3 5797 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,2,0,0,0,0|1,0,0]=3 5798 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,2,0,0,0,0|1,0,0]=3 5799 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,2,0,0,0,0|1,0,0]=3 5800 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,2,0,0,0,0|1,0,0]=3 5801 B13R1.26 CCN(CCCF)c1ccccc1 2230a_100000210013_100011934791 [0,2,0,0,0,0|2,0,0]=4 5802 B13R1.26 CCN(CCCF)c1ccccc1 269982a_100000210013_100011934791 [0,2,0,0,0,0|2,0,0]=4 5803 B13R1.26 CCN(CCCF)c1ccccc1 34a_100000210013_100011934791 [0,2,0,0,0,0|2,0,0]=4 5804 B13R1.26 CCN(CCCO)c1ccccc1 2230a_100000210013_100000230001 [0,2,0,0,0,0|2,0,0]=4 5805 B13R1.26 CCN(CCCO)c1ccccc1 2230a_100000212590_100000210202 [0,2,0,0,0,0|2,0,0]=4 5806 B13R1.26 CCN(CCCO)c1ccccc1 269982a_100000210013_100011215043 [0,2,0,0,0,0|2,0,0]=4 5807 B13R1.26 CCN(CCCO)c1ccccc1 269982a_100000212590_100000204670 [0,2,0,0,0,0|2,0,0]=4 5808 B13R1.26 CCN(CCCO)c1ccccc1 34a_100000210013_100000230001 [0,2,0,0,0,0|2,0,0]=4 5809 B13R1.26 CCN(CCCO)c1ccccc1 34a_100000212590_100000210202 [0,2,0,0,0,0|2,0,0]=4 5810 B13R1.26 CCN(CCOC)c1ccccc1 2230a_100000210013_100011201679 [0,2,0,0,0,0|2,0,0]=4 5811 B13R1.26 CCN(CCOC)c1ccccc1 269982a_100000210013_100000233755 [0,2,0,0,0,0|2,0,0]=4 5812 B13R1.26 CCN(CCOC)c1ccccc1 34a_100000210013_100011201679 [0,2,0,0,0,0|2,0,0]=4 5813 B13R1.26 CCN(CCOC)c1ccccc1 7a_100000184040_200000210301 [0,2,0,0,0,0|2,0,0]=4 5814 B13R1.26 CCN(CCO[13CH3])c1ccccc1 7a_100000184040_200025704644 [0,2,0,0,0,0|2,0,0]=4 5815 B13R1.26 CCN(CCSC)c1ccccc1 2230a_100000210013_100000751147 [0,2,0,0,0,0|2,0,0]=4 5816 B13R1.26 CCN(CCSC)c1ccccc1 269982a_100000210013_100000212216 [0,2,0,0,0,0|2,0,0]=4 5817 B13R1.26 CCN(CCSC)c1ccccc1 34a_100000210013_100000212216 [0,2,0,0,0,0|2,0,0]=4 5818 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,2,0,0,0,0|0,0,0]=2 5819 B13R1.26 CCNN=C(CC)c1ccccc1 4a_100000756455_100000210124 [0,2,0,0,0,0|1,0,1]=4 5820 B13R1.26 CCNN=C(CF)c1ccccc1 4a_100000756455_100000069468 [0,2,0,0,0,0|1,0,1]=4 5821 B13R1.26 CCNN=C(CO)c1ccccc1 4a_100000756455_100000748912 [0,2,0,0,0,0|1,0,1]=4 5822 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,2,0,0,0,0|1,0,0]=3 5823 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,2,0,0,0,0|1,0,0]=3 5824 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,2,0,0,0,0|1,0,0]=3 5825 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,2,0,0,0,0|1,0,0]=3 5826 B13R1.26 CCOCN(CC)c1ccccc1 269982a_100000210013_100000739092 [0,2,0,0,0,0|2,0,0]=4 5827 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,2,0,0,0,0|1,0,0]=3 5828 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|1,0,0]=3 5829 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,2,0,0,0,0|0,0,0]=2 5830 B13R1.26 COC(COCF)c1ccccc1 34a_100011215540_100015361967 [0,2,0,0,0,0|1,0,0]=3 5831 B13R1.26 COC(COCF)c1ccccc1 7a_100011215540_100015361967 [0,2,0,0,0,0|1,0,0]=3 5832 B13R1.26 COCNC(CO)c1ccccn1 2230a_100015196888_100000766300 [0,2,0,0,0,0|2,0,0]=4 5833 B13R1.26 COCN[C@H](CO)c1ccccc1 2230a_100000751927_100000766300 [0,2,0,0,0,0|1,0,0]=3 5834 B13R1.26 COCN[C@H](CO)c1ccncc1 2230a_100138412524_100000766300 [0,2,0,0,0,0|2,0,0]=4 5835 B13R1.26 CSCNC(CO)c1ccccn1 2230a_100015196888_100011218213 [0,2,0,0,0,0|2,0,0]=4 5836 B13R1.26 CSCN[C@H](CO)c1ccccc1 2230a_100000751927_100011218213 [0,2,0,0,0,0|1,0,0]=3 5837 B13R1.26 CSCN[C@H](CO)c1ccccc1 34a_100000751927_100011218213 [0,2,0,0,0,0|1,0,0]=3 5838 B13R1.26 CSCN[C@H](CO)c1ccncc1 2230a_100138412524_100011218213 [0,2,0,0,0,0|2,0,0]=4 5839 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [0,2,0,0,0,0|1,0,0]=3 5840 B13R1.26 CSCO[C@H](CCl)c1ccccc1 34a_100011933945_100011218213 [0,2,0,0,0,0|1,0,0]=3 5841 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,2,0,0,0,0|2,0,0]=4 5842 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 5843 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 5844 B13R1.26 N#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215382 [0,2,0,0,0,0|2,0,0]=4 5845 B13R1.26 N#CCOC(CBr)c1ccccc1 7a_100000185958_100011215382 [0,2,0,0,0,0|2,0,0]=4 5846 B13R1.26 N#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215382 [0,2,0,0,0,0|2,0,0]=4 5847 B13R1.26 NCC(OCC=O)c1ccccc1 34a_100000210709_200009817547 [0,2,0,0,0,0|2,0,0]=4 5848 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,2,0,0,0,0|2,0,0]=4 5849 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,2,0,0,0,0|2,0,0]=4 5850 B13R1.26 O=CCN[C@H](CO)c1ccccc1 2230a_100000751927_200015260668 [0,2,0,0,0,0|2,0,0]=4 5851 B13R1.26 O=CCN[C@H](CO)c1ccccc1 34a_100000751927_200009817547 [0,2,0,0,0,0|2,0,0]=4 5852 B13R1.26 O=CCOC(CBr)c1ccccc1 7a_100000185958_200015260668 [0,2,0,0,0,0|2,0,0]=4 5853 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 34a_100011933945_200009817547 [0,2,0,0,0,0|2,0,0]=4 5854 B13R1.26 O=CCO[C@H](CCl)c1ccccc1 7a_100011933945_200015260668 [0,2,0,0,0,0|2,0,0]=4 5855 B13R1.26 OCCCN(CF)c1ccccc1 269982a_100000212590_100015361967 [0,2,0,0,0,0|2,0,0]=4 5856 B13R1.26 OCCCN(CF)c1ccccc1 34a_100000212590_100015361967 [0,2,0,0,0,0|2,0,0]=4 5857 B13R1.26 OCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000211926 [0,2,0,0,0,0|2,0,0]=4 5858 B13R1.26 OCCN[C@H](CO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|2,0,0]=4 5859 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 5861 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 5862 B13R1.26 OC[C@@H](NCCF)c1ccccc1 2230a_100000751927_100011217306 [0,2,0,0,0,0|2,0,0]=4 5863 B13R1.26 OC[C@@H](NCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|2,0,0]=4 5864 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,2,0,0,0,0|1,0,0]=3 5865 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|1,0,0]=3 5866 B13R1.173 CCCC(NC)c1ccccc1Cl 269862a_106832991636_100011400565 [0,2,0,0,0,0|1,0,0]=3 5867 B13R1.173 CCCN(CC)c1ccccc1Br 2230a_114873767003_100000210303 [0,2,0,0,0,0|2,0,0]=4 5868 B13R1.173 CCCN(CC)c1ccccc1Br 269982a_114873767003_100000210303 [0,2,0,0,0,0|2,0,0]=4 5869 B13R1.173 CCCN(CC)c1ccccc1Br 34a_114873767003_100000210303 [0,2,0,0,0,0|2,0,0]=4 5870 B13R1.173 CCCN(CC)c1ccccc1C 2230a_100000211084_100000210303 [0,2,0,0,0,0|2,0,0]=4 5871 B13R1.173 CCCN(CC)c1ccccc1C 269982a_100000211084_100000210303 [0,2,0,0,0,0|2,0,0]=4 5872 B13R1.173 CCCN(CC)c1ccccc1C 34a_100000211084_100000210303 [0,2,0,0,0,0|2,0,0]=4 5873 B13R1.173 CCCN(CC)c1ccccc1F 2230a_100000220365_100000210303 [0,2,0,0,0,0|2,0,0]=4 5874 B13R1.173 CCCN(CC)c1ccccc1F 2230a_100011231789_100000210202 [0,2,0,0,0,0|2,0,0]=4 5875 B13R1.173 CCCN(CC)c1ccccc1F 269982a_100000220365_100000210303 [0,2,0,0,0,0|2,0,0]=4 5876 B13R1.173 CCCN(CC)c1ccccc1F 269982a_100011231789_100000204670 [0,2,0,0,0,0|2,0,0]=4 5877 B13R1.173 CCCN(CC)c1ccccc1F 34a_100000220365_100000210303 [0,2,0,0,0,0|2,0,0]=4 5878 B13R1.173 CCCN(CC)c1ccccc1F 34a_100011231789_100000210202 [0,2,0,0,0,0|2,0,0]=4 5879 B13R1.173 CCCN(CC)c1ccccc1O 269982a_103624766699_100000210303 [0,2,0,0,0,0|2,0,0]=4 5880 B13R1.173 CCCN(CF)c1ccccc1F 269982a_100011231789_100015361967 [0,2,0,0,0,0|2,0,0]=4 5881 B13R1.173 CCCN(CF)c1ccccc1F 34a_100011231789_100015361967 [0,2,0,0,0,0|2,0,0]=4 5882 B13R1.173 CCN(COC)c1ccccc1Br 2230a_114873767003_100000766300 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.173 CCN(COC)c1ccccc1Br 269982a_114873767003_100000766300 [0,2,0,0,0,0|2,0,0]=4 5884 B13R1.173 CCN(COC)c1ccccc1C 2230a_100000211084_100000766300 [0,2,0,0,0,0|2,0,0]=4 5885 B13R1.173 CCN(COC)c1ccccc1C 269982a_100000211084_100000766300 [0,2,0,0,0,0|2,0,0]=4 5886 B13R1.173 CCN(COC)c1ccccc1F 2230a_100000220365_100000766300 [0,2,0,0,0,0|2,0,0]=4 5887 B13R1.173 CCN(COC)c1ccccc1F 269982a_100000220365_100000766300 [0,2,0,0,0,0|2,0,0]=4 5888 B13R1.173 CCN(COC)c1ccccc1O 269982a_103624766699_100000766300 [0,2,0,0,0,0|2,0,0]=4 5889 B13R1.173 CCN(CSC)c1ccccc1Br 2230a_114873767003_100011218213 [0,2,0,0,0,0|2,0,0]=4 5890 B13R1.173 CCN(CSC)c1ccccc1Br 269982a_114873767003_100011218213 [0,2,0,0,0,0|2,0,0]=4 5891 B13R1.173 CCN(CSC)c1ccccc1Br 34a_114873767003_100011218213 [0,2,0,0,0,0|2,0,0]=4 5892 B13R1.173 CCN(CSC)c1ccccc1C 2230a_100000211084_100011218213 [0,2,0,0,0,0|2,0,0]=4 5893 B13R1.173 CCN(CSC)c1ccccc1C 269982a_100000211084_100011218213 [0,2,0,0,0,0|2,0,0]=4 5894 B13R1.173 CCN(CSC)c1ccccc1C 34a_100000211084_100011218213 [0,2,0,0,0,0|2,0,0]=4 5895 B13R1.173 CCN(CSC)c1ccccc1F 2230a_100000220365_100011218213 [0,2,0,0,0,0|2,0,0]=4 5896 B13R1.173 CCN(CSC)c1ccccc1F 269982a_100000220365_100011218213 [0,2,0,0,0,0|2,0,0]=4 5897 B13R1.173 CCN(CSC)c1ccccc1F 34a_100000220365_100011218213 [0,2,0,0,0,0|2,0,0]=4 5898 B13R1.173 CCN(CSC)c1ccccc1O 269982a_103624766699_100011218213 [0,2,0,0,0,0|2,0,0]=4 5899 B13R1.173 CCNC(CC)c1ccccc1C 269862a_100015525214_100011350723 [0,2,0,0,0,0|2,0,0]=4 5900 B13R1.173 CCNC(CC)c1ccccc1Cl 269862a_100015525214_100011400563 [0,2,0,0,0,0|2,0,0]=4 5901 B13R1.173 CCNC(CC)c1ccccc1F 269862a_100015525214_100000686739 [0,2,0,0,0,0|2,0,0]=4 5902 B13R1.173 CCNC(CO)c1ccccc1Cl 2230a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 5903 B13R1.173 CCNC(CO)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 5904 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210202 [0,2,0,0,0,0|2,0,0]=4 5905 B13R1.173 CCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210202 [0,2,0,0,0,0|2,0,0]=4 5906 B13R1.173 CCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210202 [0,2,0,0,0,0|2,0,0]=4 5907 B13R1.173 CCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000210202 [0,2,0,0,0,0|2,0,0]=4 5908 B13R1.173 CCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 5909 B13R1.173 CCN[C@@H](CO)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 5910 B13R1.173 CCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 5911 B13R1.173 CCN[C@H](CO)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 5912 B13R1.173 CCOC(CC)c1ccccc1F 34a_200011689290_100000210202 [0,2,0,0,0,0|2,0,0]=4 5913 B13R1.173 CCOC(CC)c1ccccc1F 7a_200011689290_100000210202 [0,2,0,0,0,0|2,0,0]=4 5914 B13R1.173 CCOC(CN)c1ccccc1Br 34a_100011236429_100000210202 [0,2,0,0,0,0|2,0,0]=4 5915 B13R1.173 CCOC(CN)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|2,0,0]=4 5916 B13R1.173 CNC(CCO)c1ccccc1Cl 2230a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 5917 B13R1.173 CNC(CCO)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 5918 B13R1.173 CNC(CCO)c1ccccc1F 2230a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 5919 B13R1.173 CNC(CCO)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 5920 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 2230a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 5921 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 5922 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 2230a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 5923 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 5924 B13R1.398 C#CCN(CCC)c1ccccc1 2230a_200011218496_100000038162 [0,2,0,0,0,0|2,0,0]=4 5925 B13R1.398 C#CCN(CCC)c1ccccc1 34a_200011218496_100000184674 [0,2,0,0,0,0|2,0,0]=4 5926 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 5927 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 5928 B13R1.398 C=CCC(OCF)c1ccccc1 34a_100000687291_100015361967 [0,2,0,0,0,0|1,0,1]=4 5929 B13R1.398 C=CCC(OCF)c1ccccc1 7a_100000687291_100015361967 [0,2,0,0,0,0|1,0,1]=4 5930 B13R1.398 C=CCN(CCC)c1ccccc1 2230a_100000211662_100000210303 [0,2,0,0,0,0|2,0,0]=4 5931 B13R1.398 C=CCN(CCC)c1ccccc1 2230a_200011218496_100000210623 [0,2,0,0,0,0|2,0,0]=4 5932 B13R1.398 C=CCN(CCC)c1ccccc1 269982a_100000211662_100000210303 [0,2,0,0,0,0|2,0,0]=4 5933 B13R1.398 C=CCN(CCC)c1ccccc1 269982a_200011218496_100000210623 [0,2,0,0,0,0|2,0,0]=4 5934 B13R1.398 C=CCN(CCC)c1ccccc1 34a_100000211662_100000210303 [0,2,0,0,0,0|2,0,0]=4 5935 B13R1.398 C=CCN(CCC)c1ccccc1 34a_200011218496_100015514636 [0,2,0,0,0,0|2,0,0]=4 5936 B13R1.398 C=CCN(COC)c1ccccc1 2230a_100000211662_100000766300 [0,2,0,0,0,0|2,0,0]=4 5937 B13R1.398 C=CCN(COC)c1ccccc1 269982a_100000211662_100000766300 [0,2,0,0,0,0|2,0,0]=4 5938 B13R1.398 C=CCN(CSC)c1ccccc1 2230a_100000211662_100011218213 [0,2,0,0,0,0|2,0,0]=4 5939 B13R1.398 C=CCN(CSC)c1ccccc1 269982a_100000211662_100011218213 [0,2,0,0,0,0|2,0,0]=4 5940 B13R1.398 C=CCN(CSC)c1ccccc1 34a_100000211662_100011218213 [0,2,0,0,0,0|2,0,0]=4 5941 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [0,2,0,0,0,0|1,0,0]=3 5942 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [0,2,0,0,0,0|1,0,0]=3 5943 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [0,2,0,0,0,0|1,0,0]=3 5944 B13R1.398 CCCC(NCC)c1ccccn1 269862a_100015525214_100000751832 [0,2,0,0,0,0|2,0,0]=4 5945 B13R1.398 CCCC(NCC)c1cccnc1 2230a_100011351308_100000210202 [0,2,0,0,0,0|2,0,0]=4 5946 B13R1.398 CCCC(NCC)c1cccnc1 269862a_100015525214_100000700227 [0,2,0,0,0,0|2,0,0]=4 5947 B13R1.398 CCCC(NCC)c1ccncc1 269862a_100015525214_100011350605 [0,2,0,0,0,0|2,0,0]=4 5948 B13R1.398 CCCC(NCF)c1ccccc1 34a_100000189686_100015361967 [0,2,0,0,0,0|1,0,0]=3 5949 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,2,0,0,0,0|1,0,0]=3 5950 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,2,0,0,0,0|1,0,0]=3 5951 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [0,2,0,0,0,0|1,0,0]=3 5952 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [0,2,0,0,0,0|1,0,0]=3 5953 B13R1.398 CCCN(CC#N)c1ccccc1 2230a_200011218496_100011215382 [0,2,0,0,0,0|2,0,0]=4 5954 B13R1.398 CCCN(CC#N)c1ccccc1 269982a_200011218496_100011214920 [0,2,0,0,0,0|2,0,0]=4 5955 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [0,2,0,0,0,0|2,0,0]=4 5956 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [0,2,0,0,0,0|2,0,0]=4 5957 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [0,2,0,0,0,0|2,0,0]=4 5958 B13R1.398 CCCN(CCC)c1ccccc1 2230a_200011218496_100000210303 [0,2,0,0,0,0|2,0,0]=4 5959 B13R1.398 CCCN(CCC)c1ccccc1 269982a_200011218496_100000210303 [0,2,0,0,0,0|2,0,0]=4 5960 B13R1.398 CCCN(CCC)c1ccccc1 34a_200011218496_100000210303 [0,2,0,0,0,0|2,0,0]=4 5961 B13R1.398 CCCN(CCF)c1ccccc1 2230a_200011218496_100011217306 [0,2,0,0,0,0|2,0,0]=4 5962 B13R1.398 CCCN(CCF)c1ccccc1 269982a_200011218496_100011217306 [0,2,0,0,0,0|2,0,0]=4 5963 B13R1.398 CCCN(CCF)c1ccccc1 34a_200011218496_100011217306 [0,2,0,0,0,0|2,0,0]=4 5964 B13R1.398 CCCN(CCO)c1ccccc1 2230a_100000211345_100000210303 [0,2,0,0,0,0|2,0,0]=4 5965 B13R1.398 CCCN(CCO)c1ccccc1 2230a_200011218496_100000211926 [0,2,0,0,0,0|2,0,0]=4 5966 B13R1.398 CCCN(CCO)c1ccccc1 269982a_100000211345_100000210303 [0,2,0,0,0,0|2,0,0]=4 5967 B13R1.398 CCCN(CCO)c1ccccc1 269982a_200011218496_100000211926 [0,2,0,0,0,0|2,0,0]=4 5968 B13R1.398 CCCN(CCO)c1ccccc1 34a_100000211345_100000210303 [0,2,0,0,0,0|2,0,0]=4 5969 B13R1.398 CCCN(CCO)c1ccccc1 34a_200011218496_100000211926 [0,2,0,0,0,0|2,0,0]=4 5970 B13R1.398 CCCN(COC)c1ccccc1 2230a_200011218496_100000766300 [0,2,0,0,0,0|2,0,0]=4 5971 B13R1.398 CCCN(COC)c1ccccc1 269982a_200011218496_100000766300 [0,2,0,0,0,0|2,0,0]=4 5972 B13R1.398 CCCN(CSC)c1ccccc1 2230a_200011218496_100011218213 [0,2,0,0,0,0|2,0,0]=4 5973 B13R1.398 CCCN(CSC)c1ccccc1 269982a_200011218496_100011218213 [0,2,0,0,0,0|2,0,0]=4 5974 B13R1.398 CCCN(CSC)c1ccccc1 34a_200011218496_100011218213 [0,2,0,0,0,0|2,0,0]=4 5975 B13R1.398 CCNC(CCCl)c1ccccc1 2230a_100015525214_200010132975 [0,2,0,0,0,0|2,0,0]=4 5976 B13R1.398 CCNC(COC)c1ccccc1 269862a_100015525214_100000765260 [0,2,0,0,0,0|1,0,0]=3 5977 B13R1.398 CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210202 [0,2,0,0,0,0|2,0,0]=4 5978 B13R1.398 CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210202 [0,2,0,0,0,0|1,0,0]=3 5979 B13R1.398 CCN[C@H](COC)c1ccccc1 34a_103619048568_100000210202 [0,2,0,0,0,0|1,0,0]=3 5980 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,2,0,0,0,0|2,0,0]=4 5981 B13R1.398 CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210202 [0,2,0,0,0,0|2,0,0]=4 5982 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,2,0,0,0,0|2,0,0]=4 5983 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,2,0,0,0,0|2,0,0]=4 5984 B13R1.398 CCSC(CCCl)c1ccccc1 62a_100000210202_200010132975 [0,2,0,0,0,0|2,0,0]=4 5985 B13R1.398 CCSC(CCCl)c1ccccc1 62a_200010132975_100000210202 [0,2,0,0,0,0|2,0,0]=4 5986 B13R1.398 COCN(CCO)c1ccccc1 2230a_100000211345_100000766300 [0,2,0,0,0,0|2,0,0]=4 5987 B13R1.398 COCN(CCO)c1ccccc1 269982a_100000211345_100000766300 [0,2,0,0,0,0|2,0,0]=4 5988 B13R1.398 COC[C@@H](NCF)c1ccccc1 34a_103619048568_100015361967 [0,2,0,0,0,0|1,0,0]=3 5989 B13R1.398 CSCN(CCO)c1ccccc1 2230a_100000211345_100011218213 [0,2,0,0,0,0|2,0,0]=4 5990 B13R1.398 CSCN(CCO)c1ccccc1 269982a_100000211345_100011218213 [0,2,0,0,0,0|2,0,0]=4 5991 B13R1.398 CSCN(CCO)c1ccccc1 34a_100000211345_100011218213 [0,2,0,0,0,0|2,0,0]=4 5992 B13R1.398 FCO[C@H](CCCl)c1ccccc1 34a_100000729684_100015361967 [0,2,0,0,0,0|2,0,0]=4 5993 B13R1.398 FCO[C@H](CCCl)c1ccccc1 7a_100000729684_100015361967 [0,2,0,0,0,0|2,0,0]=4 5994 B13R1.398 FCSC(CCCl)c1ccccc1 62a_100015361967_200010132975 [0,2,0,0,0,0|2,0,0]=4 5995 B13R1.398 FCSC(CCCl)c1ccccc1 62a_200010132975_100015361967 [0,2,0,0,0,0|2,0,0]=4 5996 B13R1.398 N#CC[C@@H](OCF)c1ccccc1 7a_100009817555_100015361967 [0,2,0,0,0,0|2,0,0]=4 5997 B13R1.398 NCCC(OCF)c1ccccc1 34a_100000763605_100015361967 [0,2,0,0,0,0|2,0,0]=4 5998 B13R1.402 C#CC(C)(OCC)c1ccccc1 34a_100000198054_100000210202 [0,2,0,0,0,0|2,0,0]=4 5999 B13R1.402 C#CC(C)(OCC)c1ccccc1 7a_100000198054_100000210202 [0,2,0,0,0,0|2,0,0]=4 6000 B13R1.402 C=CCC(C)(OC)c1ccccc1 7a_200011216374_200000210301 [0,2,0,0,0,0|1,0,1]=4 6001 B13R1.402 C=CCC(C)(O[13CH3])c1ccccc1 7a_200011216374_200025704644 [0,2,0,0,0,0|1,0,1]=4 6002 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,2,0,0,0,0|1,0,0]=3 6003 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,2,0,0,0,0|1,0,0]=3 6004 B13R1.402 CCOC(C)(CC)c1ccccc1 7a_100000748282_100000210202 [0,2,0,0,0,0|2,0,0]=4 6005 B13R1.405 C=C(C)C(OCC)c1ccccc1 34a_200011216824_100000210202 [0,2,0,0,0,0|2,0,0]=4 6006 B13R1.405 C=C(C)C(OCC)c1ccccc1 7a_200011216824_100000210202 [0,2,0,0,0,0|2,0,0]=4 6007 B13R1.405 CC(=O)C(CCCl)c1ccccc1 1458a_100000070787_200010132975 [0,2,0,0,0,0|2,0,0]=4 6008 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 2230a_200009885855_200025704644 [0,2,0,0,0,0|0,0,0]=2 6009 B13R1.405 CC(C)[C@H](CN[13CH3])c1ccccc1 34a_200009885855_200025704644 [0,2,0,0,0,0|0,0,0]=2 6010 B13R1.405 CCCN(C(=O)C)c1ccccc1 11a_200011218496_100015343762 [0,2,0,0,0,0|2,0,0]=4 6011 B13R1.405 CCCN(C(=O)C)c1ccccc1 1626a_200011218496_100015343762 [0,2,0,0,0,0|2,0,0]=4 6012 B13R1.405 CCCN(C(=O)C)c1ccccc1 22a_200011218496_100000070787 [0,2,0,0,0,0|2,0,0]=4 6013 B13R1.405 CCCN(c1ccccc1)C(C)C 2230a_100000210572_100000210303 [0,2,0,0,0,0|2,0,0]=4 6014 B13R1.405 CCCN(c1ccccc1)C(C)C 2230a_200011218496_100000210206 [0,2,0,0,0,0|2,0,0]=4 6015 B13R1.405 CCCN(c1ccccc1)C(C)C 269982a_100000210572_100000210303 [0,2,0,0,0,0|2,0,0]=4 6016 B13R1.405 CCCN(c1ccccc1)C(C)C 269982a_200011218496_100000210206 [0,2,0,0,0,0|2,0,0]=4 6017 B13R1.405 CCCN(c1ccccc1)C(C)C 34a_100000210572_100000210303 [0,2,0,0,0,0|2,0,0]=4 6018 B13R1.405 CCCN(c1ccccc1)C(C)C 34a_200011218496_100000210206 [0,2,0,0,0,0|2,0,0]=4 6019 B13R1.405 CCCN(c1ccccc1)C(C)C 7a_100000210572_100000210303 [0,2,0,0,0,0|2,0,0]=4 6020 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [0,2,0,0,0,0|2,0,0]=4 6021 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 6022 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210202 [0,2,0,0,0,0|2,0,0]=4 6023 B13R1.405 CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210202 [0,2,0,0,0,0|2,0,0]=4 6024 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [0,2,0,0,0,0|2,0,0]=4 6025 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [0,2,0,0,0,0|2,0,0]=4 6026 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100000210202_100009888967 [0,2,0,0,0,0|2,0,0]=4 6027 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210202 [0,2,0,0,0,0|2,0,0]=4 6028 B13R1.405 CN(C)C(CCCl)c1ccccc1 2230a_100102631434_200010132975 [0,2,0,0,0,0|2,0,0]=4 6029 B13R1.405 CN(C)C(CCCl)c1ccccc1 269982a_100102631434_200010132975 [0,2,0,0,0,0|2,0,0]=4 6030 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [0,2,0,0,0,0|0,0,1]=3 6031 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 2230a_200009885855_200000210301 [0,2,0,0,0,0|0,0,0]=2 6032 B13R1.405 CNC[C@H](c1ccccc1)C(C)C 34a_200009885855_200000210301 [0,2,0,0,0,0|0,0,0]=2 6033 B13R1.405 COCC(c1ccccn1)N(C)C 2230a_200011935022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6034 B13R1.405 COCC(c1ccccn1)N(C)C 269982a_200011935022_200000210301 [0,2,0,0,0,0|2,0,0]=4 6035 B13R1.405 COCC(c1ccccn1)N(C)[13CH3] 2230a_200011935022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6036 B13R1.405 COCC(c1ccccn1)N(C)[13CH3] 269982a_200011935022_200025704644 [0,2,0,0,0,0|2,0,0]=4 6037 B13R1.405 COCN(c1ccccc1)C(C)C 2230a_100000210572_100000766300 [0,2,0,0,0,0|2,0,0]=4 6038 B13R1.405 COCN(c1ccccc1)C(C)C 269982a_100000210572_100000766300 [0,2,0,0,0,0|2,0,0]=4 6039 B13R1.405 CSCN(c1ccccc1)C(C)C 2230a_100000210572_100011218213 [0,2,0,0,0,0|2,0,0]=4 6040 B13R1.405 CSCN(c1ccccc1)C(C)C 269982a_100000210572_100011218213 [0,2,0,0,0,0|2,0,0]=4 6041 B13R1.405 CSCN(c1ccccc1)C(C)C 34a_100000210572_100011218213 [0,2,0,0,0,0|2,0,0]=4 6042 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [0,2,0,0,0,0|0,0,1]=3 6043 B13R1.532 CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210202 [0,2,0,0,0,0|1,0,1]=4 6044 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [0,2,0,0,0,0|1,0,1]=4 6045 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,2,0,0,0,0|1,0,1]=4 6046 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,2,0,0,0,0|0,0,1]=3 6047 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,2,0,0,0,0|0,0,1]=3 6048 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,2,0,0,0,0|0,0,1]=3 6049 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,2,0,0,0,0|0,0,1]=3 6050 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,2,0,0,0,0|1,0,0]=3 6051 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,2,0,0,0,0|1,0,0]=3 6052 B13R1.532 CCC(C)N(CC)c1ccccc1 2230a_100000210013_100000758301 [0,2,0,0,0,0|2,0,0]=4 6053 B13R1.532 CCC(C)N(CC)c1ccccc1 269982a_100000210013_100000758301 [0,2,0,0,0,0|2,0,0]=4 6054 B13R1.532 CCC(C)N(CC)c1ccccc1 34a_100000210013_100011215416 [0,2,0,0,0,0|2,0,0]=4 6055 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [0,2,0,0,0,0|2,0,0]=4 6056 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [0,2,0,0,0,0|2,0,0]=4 6057 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [0,2,0,0,0,0|2,0,0]=4 6058 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [0,2,0,0,0,0|2,0,0]=4 6059 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [0,2,0,0,0,0|2,0,0]=4 6060 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [0,2,0,0,0,0|2,0,0]=4 6061 B13R1.532 CCN(c1ccccc1)C(C)OC 269982a_100000210013_100009879195 [0,2,0,0,0,0|2,0,0]=4 6062 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [0,2,0,0,0,0|0,0,1]=3 6063 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [0,2,0,0,0,0|0,0,1]=3 6064 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [0,2,0,0,0,0|0,0,1]=3 6065 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [0,2,0,0,0,0|0,0,1]=3 6066 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [0,2,0,0,0,0|0,0,1]=3 6067 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,2,0,0,0,0|0,0,1]=3 6068 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,2,0,0,0,0|0,0,1]=3 6069 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,2,0,0,0,0|0,0,1]=3 6070 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,2,0,0,0,0|0,0,1]=3 6071 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,2,0,0,0,0|0,0,1]=3 6072 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,2,0,0,0,0|0,0,1]=3 6073 B13R1.532 CNC(C(=O)OC)c1ccccc1 2230a_106832991635_100000754950 [0,2,0,0,0,0|1,0,1]=4 6074 B13R1.532 CNC(C(=O)OC)c1ccccc1 34a_100102657272_100000185205 [0,2,0,0,0,0|1,0,1]=4 6075 B13R1.532 CNC(C(=O)OC)c1ccccc1 7a_106832991635_100000754950 [0,2,0,0,0,0|1,0,1]=4 6076 B13R1.532 COC(=O)C(OC)c1ccccc1 34a_100138415774_100000185205 [0,2,0,0,0,0|1,0,1]=4 6077 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_100000754950_200000210301 [0,2,0,0,0,0|1,0,1]=4 6078 B13R1.532 COC(=O)C(SC)c1ccccc1 62a_200000210301_100000754950 [0,2,0,0,0,0|1,0,1]=4 6079 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_100000754950_200025704644 [0,2,0,0,0,0|1,0,1]=4 6080 B13R1.532 COC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000754950 [0,2,0,0,0,0|1,0,1]=4 6081 B13R1.532 COC(=O)[C@H](OC)c1ccccc1 34a_100009815907_200000210301 [0,2,0,0,0,0|1,0,1]=4 6082 B13R1.532 COC(=O)[C@H](O[13CH3])c1ccccc1 34a_100009815907_200025704644 [0,2,0,0,0,0|1,0,1]=4 6083 B13R1.532 COC(C(=O)NN)c1ccccc1 34a_100011203043_200000210301 [0,2,0,0,0,0|1,0,1]=4 6084 B13R1.532 [13CH3]OC(C(=O)NN)c1ccccc1 34a_100011203043_200025704644 [0,2,0,0,0,0|1,0,1]=4 6085 B13R1.713 C=C(C)CN(CC)c1ccccc1 2230a_100000210013_100000748629 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.713 C=C(C)CN(CC)c1ccccc1 269982a_100000210013_100000748629 [0,2,0,0,0,0|2,0,0]=4 6087 B13R1.713 C=C(C)CN(CC)c1ccccc1 34a_100000210013_100000748629 [0,2,0,0,0,0|2,0,0]=4 6088 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [0,2,0,0,0,0|1,0,1]=4 6089 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,2,0,0,0,0|1,0,0]=3 6090 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100015343762 [0,2,0,0,0,0|2,0,0]=4 6091 B13R1.713 CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100103153847 [0,2,0,0,0,0|2,0,0]=4 6092 B13R1.713 CC(C)CC(N[13CH3])c1ccccn1 2230a_100159271263_200025704644 [0,2,0,0,0,0|2,0,0]=4 6093 B13R1.713 CC(C)CC(N[13CH3])c1cccnc1 2230a_200011351310_200025704644 [0,2,0,0,0,0|2,0,0]=4 6094 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,2,0,0,0,0|1,0,0]=3 6095 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 6096 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 6097 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,2,0,0,0,0|2,0,0]=4 6099 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 6101 B13R1.713 CCC(CN(C)C)c1ccccc1 270004a_100102631434_100000753018 [0,2,0,0,0,0|0,0,0]=2 6102 B13R1.713 CCC(NC(=O)C)c1ccccc1 11a_100000737752_100015343762 [0,2,0,0,0,0|2,0,0]=4 6103 B13R1.713 CCC(NC(=O)C)c1ccccc1 1626a_100000737752_100015343762 [0,2,0,0,0,0|2,0,0]=4 6104 B13R1.713 CCC(NC(=O)C)c1ccccc1 240690a_100000737752_100015343762 [0,2,0,0,0,0|2,0,0]=4 6105 B13R1.713 CCC(NC(=O)C)c1ccccc1 527a_100000737752_100103153847 [0,2,0,0,0,0|2,0,0]=4 6106 B13R1.713 CCC(NC(C)C)c1ccccc1 2230a_100000737752_100000210206 [0,2,0,0,0,0|2,0,0]=4 6107 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,2,0,0,0,0|2,0,0]=4 6108 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,2,0,0,0,0|2,0,0]=4 6109 B13R1.713 CCN(CC(C)C)c1ccccc1 2230a_100000210013_100000210760 [0,2,0,0,0,0|2,0,0]=4 6110 B13R1.713 CCN(CC(C)C)c1ccccc1 269982a_100000210013_100000210624 [0,2,0,0,0,0|2,0,0]=4 6111 B13R1.713 CCN(CC(C)C)c1ccccc1 34a_100000210013_100000210624 [0,2,0,0,0,0|2,0,0]=4 6112 B13R1.713 CCN(CC(C)O)c1ccccc1 2230a_100000210013_100011218427 [0,2,0,0,0,0|2,0,0]=4 6113 B13R1.713 CCN(CC(C)O)c1ccccc1 269982a_100000210013_100011218427 [0,2,0,0,0,0|2,0,0]=4 6114 B13R1.713 CCN(CC(C)O)c1ccccc1 34a_100000210013_100011218427 [0,2,0,0,0,0|2,0,0]=4 6115 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 2230a_100000210013_100009817552 [0,2,0,0,0,0|2,0,0]=4 6116 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 269982a_100000210013_100009817552 [0,2,0,0,0,0|2,0,0]=4 6117 B13R1.713 CCN(C[C@@H](C)O)c1ccccc1 34a_100000210013_100009817552 [0,2,0,0,0,0|2,0,0]=4 6118 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,2,0,0,0,0|1,0,0]=3 6119 B13R1.713 CNC(CC(C)C)c1ccccn1 2230a_100159271263_200000210301 [0,2,0,0,0,0|2,0,0]=4 6120 B13R1.713 CNC(CC(C)C)c1ccccn1 269862a_106832991636_100000685706 [0,2,0,0,0,0|2,0,0]=4 6121 B13R1.713 CNC(CC(C)C)c1cccnc1 2230a_200011351310_200000210301 [0,2,0,0,0,0|2,0,0]=4 6122 B13R1.713 CNC(CC(C)C)c1cccnc1 269862a_106832991636_100011350585 [0,2,0,0,0,0|2,0,0]=4 6123 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,2,0,0,0,0|2,0,0]=4 6124 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,2,0,0,0,0|1,0,0]=3 6125 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [0,2,0,0,0,0|1,0,1]=4 6126 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,2,0,0,0,0|1,0,0]=3 6127 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,2,0,0,0,0|2,0,0]=4 6128 B13R1.17 C#CCNC(C)c1ccc(cc1)Br 34a_100000212058_100000755118 [0,2,0,0,0,0|1,0,1]=4 6129 B13R1.17 C#CCNC(C)c1ccc(cc1)C 34a_100000212058_100011261388 [0,2,0,0,0,0|1,0,1]=4 6130 B13R1.17 C#CCNC(C)c1ccc(cc1)F 34a_100000212058_100000743420 [0,2,0,0,0,0|1,0,1]=4 6131 B13R1.17 C#CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000038162 [0,2,0,0,0,0|1,0,1]=4 6132 B13R1.17 C#CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000184674 [0,2,0,0,0,0|1,0,1]=4 6133 B13R1.17 C#CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000038162 [0,2,0,0,0,0|1,0,1]=4 6134 B13R1.17 C#CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000038162 [0,2,0,0,0,0|1,0,1]=4 6135 B13R1.17 C#CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000038162 [0,2,0,0,0,0|1,0,1]=4 6136 B13R1.17 C#CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000038162 [0,2,0,0,0,0|1,0,1]=4 6137 B13R1.17 C#CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000184674 [0,2,0,0,0,0|1,0,1]=4 6138 B13R1.17 C#CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000038162 [0,2,0,0,0,0|1,0,1]=4 6139 B13R1.17 C#CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000184674 [0,2,0,0,0,0|1,0,1]=4 6140 B13R1.17 C#CCOC(C)c1ccc(cc1)Br 34a_100000210247_100000755118 [0,2,0,0,0,0|1,0,1]=4 6141 B13R1.17 C#CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000184674 [0,2,0,0,0,0|1,0,1]=4 6142 B13R1.17 C#CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000038162 [0,2,0,0,0,0|1,0,1]=4 6143 B13R1.17 C#CCOC(C)c1ccc(cc1)C 34a_100000210247_100011261388 [0,2,0,0,0,0|1,0,1]=4 6144 B13R1.17 C#CCOC(C)c1ccc(cc1)F 34a_100000181323_100000184674 [0,2,0,0,0,0|1,0,1]=4 6145 B13R1.17 C#CCOC(C)c1ccc(cc1)F 34a_100000210247_100000743420 [0,2,0,0,0,0|1,0,1]=4 6146 B13R1.17 C#CCOC(C)c1ccc(cc1)F 7a_100000181323_100000038162 [0,2,0,0,0,0|1,0,1]=4 6147 B13R1.17 C#CCOC(C)c1ccc(cc1)N 34a_100011216399_100000184674 [0,2,0,0,0,0|1,0,1]=4 6148 B13R1.17 C#CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000184674 [0,2,0,0,0,0|1,0,1]=4 6149 B13R1.17 C#CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000038162 [0,2,0,0,0,0|1,0,1]=4 6150 B13R1.17 C#CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000184674 [0,2,0,0,0,0|1,0,1]=4 6151 B13R1.17 C#CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000038162 [0,2,0,0,0,0|1,0,1]=4 6152 B13R1.17 C#CCSC(C)c1ccc(cc1)Br 62a_100000038162_100000755118 [0,2,0,0,0,0|1,0,1]=4 6153 B13R1.17 C#CCSC(C)c1ccc(cc1)C 62a_100000038162_100011261388 [0,2,0,0,0,0|1,0,1]=4 6154 B13R1.17 C#CCSC(C)c1ccc(cc1)Cl 62a_100000038162_100000684792 [0,2,0,0,0,0|1,0,1]=4 6155 B13R1.17 C#CCSC(C)c1ccc(cc1)F 62a_100000038162_100000743420 [0,2,0,0,0,0|1,0,1]=4 6156 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Br 269982a_100000219623_100102629194 [0,2,0,0,0,0|2,0,0]=4 6157 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Br 34a_100000219623_100102629194 [0,2,0,0,0,0|2,0,0]=4 6158 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 269982a_100000219977_100102629194 [0,2,0,0,0,0|2,0,0]=4 6159 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 34a_100000219977_100102629194 [0,2,0,0,0,0|2,0,0]=4 6160 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Cl 269982a_100020629279_100102629194 [0,2,0,0,0,0|2,0,0]=4 6161 B13R1.17 C/C=C/CN(C)c1ccc(cc1)Cl 34a_100020629279_100102629194 [0,2,0,0,0,0|2,0,0]=4 6162 B13R1.17 C/C=C/CN(C)c1ccc(cc1)F 269982a_100000219829_100102629194 [0,2,0,0,0,0|2,0,0]=4 6163 B13R1.17 C/C=C/CN(C)c1ccc(cc1)F 34a_100000219829_100102629194 [0,2,0,0,0,0|2,0,0]=4 6164 B13R1.17 C/C=C/CN(C)c1ccc(cc1)I 269982a_100000743151_100102629194 [0,2,0,0,0,0|2,0,0]=4 6165 B13R1.17 C/C=C/CN(C)c1ccc(cc1)I 34a_100000743151_100102629194 [0,2,0,0,0,0|2,0,0]=4 6166 B13R1.17 C/C=C/CN(C)c1ccc(cc1)O 269982a_100000182112_100102629194 [0,2,0,0,0,0|2,0,0]=4 6167 B13R1.17 C/C=C/CN(C)c1ccc(cc1)O 34a_100000182112_100102629194 [0,2,0,0,0,0|2,0,0]=4 6168 B13R1.17 C=CCNC(C)c1ccc(cc1)Br 2230a_100020586998_100000755118 [0,2,0,0,0,0|1,0,1]=4 6169 B13R1.17 C=CCNC(C)c1ccc(cc1)C 2230a_100020586998_100011261388 [0,2,0,0,0,0|1,0,1]=4 6170 B13R1.17 C=CCNC(C)c1ccc(cc1)Cl 2230a_100020586998_100000684792 [0,2,0,0,0,0|1,0,1]=4 6171 B13R1.17 C=CCNC(C)c1ccc(cc1)F 2230a_100020586998_100000743420 [0,2,0,0,0,0|1,0,1]=4 6172 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210623 [0,2,0,0,0,0|1,0,1]=4 6173 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100015514636 [0,2,0,0,0,0|1,0,1]=4 6174 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210623 [0,2,0,0,0,0|1,0,1]=4 6175 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210623 [0,2,0,0,0,0|1,0,1]=4 6176 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210623 [0,2,0,0,0,0|1,0,1]=4 6177 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210623 [0,2,0,0,0,0|1,0,1]=4 6178 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100015514636 [0,2,0,0,0,0|1,0,1]=4 6179 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210623 [0,2,0,0,0,0|1,0,1]=4 6180 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100015514636 [0,2,0,0,0,0|1,0,1]=4 6181 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 34a_100000745893_100015514636 [0,2,0,0,0,0|1,0,1]=4 6182 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 34a_200000210373_100000755118 [0,2,0,0,0,0|1,0,1]=4 6183 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 7a_100000745893_100015514636 [0,2,0,0,0,0|1,0,1]=4 6184 B13R1.17 C=CCOC(C)c1ccc(cc1)C 34a_200000210373_100011261388 [0,2,0,0,0,0|1,0,1]=4 6185 B13R1.17 C=CCOC(C)c1ccc(cc1)F 34a_100000181323_100015514636 [0,2,0,0,0,0|1,0,1]=4 6186 B13R1.17 C=CCOC(C)c1ccc(cc1)F 34a_200000210373_100000743420 [0,2,0,0,0,0|1,0,1]=4 6187 B13R1.17 C=CCOC(C)c1ccc(cc1)F 7a_100000181323_100015514636 [0,2,0,0,0,0|1,0,1]=4 6188 B13R1.17 C=CCOC(C)c1ccc(cc1)N 34a_100011216399_100015514636 [0,2,0,0,0,0|1,0,1]=4 6189 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100015514636 [0,2,0,0,0,0|1,0,1]=4 6190 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100015514636 [0,2,0,0,0,0|1,0,1]=4 6191 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100015514636 [0,2,0,0,0,0|1,0,1]=4 6192 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100015514636 [0,2,0,0,0,0|1,0,1]=4 6193 B13R1.17 C=CCSC(C)c1ccc(cc1)Br 62a_100000210623_100000755118 [0,2,0,0,0,0|1,0,1]=4 6194 B13R1.17 C=CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210623 [0,2,0,0,0,0|1,0,1]=4 6195 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100000210623_100011261388 [0,2,0,0,0,0|1,0,1]=4 6196 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210623 [0,2,0,0,0,0|1,0,1]=4 6197 B13R1.17 C=CCSC(C)c1ccc(cc1)Cl 62a_100000210623_100000684792 [0,2,0,0,0,0|1,0,1]=4 6198 B13R1.17 C=CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210623 [0,2,0,0,0,0|1,0,1]=4 6199 B13R1.17 C=CCSC(C)c1ccc(cc1)F 62a_100000210623_100000743420 [0,2,0,0,0,0|1,0,1]=4 6200 B13R1.17 C=CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210623 [0,2,0,0,0,0|1,0,1]=4 6201 B13R1.17 CC#CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000748600 [0,2,0,0,0,0|2,0,0]=4 6202 B13R1.17 CC#CCN(C)c1ccc(cc1)Br 34a_100000219623_100000748600 [0,2,0,0,0,0|2,0,0]=4 6203 B13R1.17 CC#CCN(C)c1ccc(cc1)C 2230a_100000219977_100000748600 [0,2,0,0,0,0|2,0,0]=4 6204 B13R1.17 CC#CCN(C)c1ccc(cc1)C 34a_100000219977_100000748600 [0,2,0,0,0,0|2,0,0]=4 6205 B13R1.17 CC#CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000748600 [0,2,0,0,0,0|2,0,0]=4 6206 B13R1.17 CC#CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000748600 [0,2,0,0,0,0|2,0,0]=4 6207 B13R1.17 CC#CCN(C)c1ccc(cc1)F 2230a_100000219829_100000748600 [0,2,0,0,0,0|2,0,0]=4 6208 B13R1.17 CC#CCN(C)c1ccc(cc1)F 34a_100000219829_100000748600 [0,2,0,0,0,0|2,0,0]=4 6209 B13R1.17 CC#CCN(C)c1ccc(cc1)I 2230a_100000743151_100000748600 [0,2,0,0,0,0|2,0,0]=4 6210 B13R1.17 CC#CCN(C)c1ccc(cc1)I 34a_100000743151_100000748600 [0,2,0,0,0,0|2,0,0]=4 6211 B13R1.17 CC#CCN(C)c1ccc(cc1)O 34a_100000182112_100000748600 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.17 CC(CNCF)c1ccc(cc1)O 34a_200015188644_100015361967 [0,2,0,0,0,0|0,0,0]=2 6213 B13R1.17 CC(NCCF)c1ccc(cc1)Br 269862a_100000724931_100000185794 [0,2,0,0,0,0|2,0,0]=4 6214 B13R1.17 CC(NCCF)c1ccc(cc1)Br 34a_100000724931_100000755118 [0,2,0,0,0,0|2,0,0]=4 6215 B13R1.17 CC(NCCF)c1ccc(cc1)Cl 269862a_100000724931_100000185797 [0,2,0,0,0,0|2,0,0]=4 6216 B13R1.17 CC(NCCF)c1ccc(cc1)F 269862a_100000724931_100000185800 [0,2,0,0,0,0|2,0,0]=4 6217 B13R1.17 CC(NCCF)c1ccc(cc1)F 34a_100000724931_100000743420 [0,2,0,0,0,0|2,0,0]=4 6218 B13R1.17 CC(NCCF)c1ccc(cc1)I 269862a_100000724931_100000185465 [0,2,0,0,0,0|2,0,0]=4 6219 B13R1.17 CC(NCCO)c1ccc(cc1)Br 2230a_100016997473_100000755118 [0,2,0,0,0,0|2,0,0]=4 6220 B13R1.17 CC(NCCO)c1ccc(cc1)Br 269862a_100000210304_100000185794 [0,2,0,0,0,0|2,0,0]=4 6221 B13R1.17 CC(NCCO)c1ccc(cc1)Br 34a_100016990907_100000755118 [0,2,0,0,0,0|2,0,0]=4 6222 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 2230a_100016997473_100000684792 [0,2,0,0,0,0|2,0,0]=4 6223 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000185797 [0,2,0,0,0,0|2,0,0]=4 6224 B13R1.17 CC(NCCO)c1ccc(cc1)F 2230a_100016997473_100000743420 [0,2,0,0,0,0|2,0,0]=4 6225 B13R1.17 CC(NCCO)c1ccc(cc1)F 269862a_100000210304_100000185800 [0,2,0,0,0,0|2,0,0]=4 6226 B13R1.17 CC(NCCO)c1ccc(cc1)F 34a_100016990907_100000743420 [0,2,0,0,0,0|2,0,0]=4 6227 B13R1.17 CC(NCCO)c1ccc(cc1)I 269862a_100000210304_100000185465 [0,2,0,0,0,0|2,0,0]=4 6228 B13R1.17 CC(OCC#N)c1ccc(cc1)Br 7a_100000745893_100011215382 [0,2,0,0,0,0|2,0,0]=4 6229 B13R1.17 CC(OCC#N)c1ccc(cc1)F 7a_100000181323_100011215382 [0,2,0,0,0,0|2,0,0]=4 6230 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 34a_100000745893_200009817547 [0,2,0,0,0,0|2,0,0]=4 6231 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 7a_100000745893_200015260668 [0,2,0,0,0,0|2,0,0]=4 6232 B13R1.17 CC(OCC=O)c1ccc(cc1)F 34a_100000181323_200009817547 [0,2,0,0,0,0|2,0,0]=4 6233 B13R1.17 CC(OCC=O)c1ccc(cc1)F 7a_100000181323_200015260668 [0,2,0,0,0,0|2,0,0]=4 6234 B13R1.17 CC(OCC=O)c1ccc(cc1)N 34a_100011216399_200009817547 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.17 CC(OCCBr)c1ccc(cc1)Br 34a_100000211926_100000755118 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.17 CC(OCCBr)c1ccc(cc1)F 34a_100000211926_100000743420 [0,2,0,0,0,0|2,0,0]=4 6237 B13R1.17 CC(OCCF)c1ccc(cc1)Br 34a_100000745893_100011217306 [0,2,0,0,0,0|2,0,0]=4 6238 B13R1.17 CC(OCCF)c1ccc(cc1)Br 7a_100000745893_100011217306 [0,2,0,0,0,0|2,0,0]=4 6239 B13R1.17 CC(OCCF)c1ccc(cc1)F 34a_100000181323_100011217306 [0,2,0,0,0,0|2,0,0]=4 6240 B13R1.17 CC(OCCF)c1ccc(cc1)F 7a_100000181323_100011217306 [0,2,0,0,0,0|2,0,0]=4 6241 B13R1.17 CC(OCCF)c1ccc(cc1)N 34a_100011216399_100011217306 [0,2,0,0,0,0|2,0,0]=4 6242 B13R1.17 CC(OCCN)c1ccc(cc1)Br 34a_100000210304_100000755118 [0,2,0,0,0,0|2,0,0]=4 6243 B13R1.17 CC(OCCN)c1ccc(cc1)F 34a_100000210304_100000743420 [0,2,0,0,0,0|2,0,0]=4 6244 B13R1.17 CC(OCCO)c1ccc(cc1)Br 34a_100000745893_100000211926 [0,2,0,0,0,0|2,0,0]=4 6245 B13R1.17 CC(OCCO)c1ccc(cc1)Br 7a_100000745893_100000211926 [0,2,0,0,0,0|2,0,0]=4 6246 B13R1.17 CC(OCCO)c1ccc(cc1)F 34a_100000181323_100000211926 [0,2,0,0,0,0|2,0,0]=4 6247 B13R1.17 CC(OCCO)c1ccc(cc1)F 7a_100000181323_100000211926 [0,2,0,0,0,0|2,0,0]=4 6248 B13R1.17 CC(OCCO)c1ccc(cc1)N 34a_100011216399_100000211926 [0,2,0,0,0,0|2,0,0]=4 6249 B13R1.17 CC(SCC#N)c1ccc(cc1)Br 62a_100000755118_100011215382 [0,2,0,0,0,0|2,0,0]=4 6250 B13R1.17 CC(SCC#N)c1ccc(cc1)Br 62a_100011215382_100000755118 [0,2,0,0,0,0|2,0,0]=4 6251 B13R1.17 CC(SCC#N)c1ccc(cc1)Cl 62a_100000684792_100011215382 [0,2,0,0,0,0|2,0,0]=4 6252 B13R1.17 CC(SCC#N)c1ccc(cc1)Cl 62a_100011215382_100000684792 [0,2,0,0,0,0|2,0,0]=4 6253 B13R1.17 CC(SCC#N)c1ccc(cc1)F 62a_100000743420_100011215382 [0,2,0,0,0,0|2,0,0]=4 6254 B13R1.17 CC(SCC#N)c1ccc(cc1)F 62a_100011215382_100000743420 [0,2,0,0,0,0|2,0,0]=4 6255 B13R1.17 CC(SCC=O)c1ccc(cc1)Br 62a_100000755118_200015260668 [0,2,0,0,0,0|2,0,0]=4 6256 B13R1.17 CC(SCC=O)c1ccc(cc1)Br 62a_200015260668_100000755118 [0,2,0,0,0,0|2,0,0]=4 6257 B13R1.17 CC(SCC=O)c1ccc(cc1)Cl 62a_100000684792_200015260668 [0,2,0,0,0,0|2,0,0]=4 6258 B13R1.17 CC(SCC=O)c1ccc(cc1)Cl 62a_200015260668_100000684792 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.17 CC(SCC=O)c1ccc(cc1)F 62a_100000743420_200015260668 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.17 CC(SCC=O)c1ccc(cc1)F 62a_200015260668_100000743420 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.17 CC(SCCF)c1ccc(cc1)Br 62a_100000755118_100011217306 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.17 CC(SCCF)c1ccc(cc1)Br 62a_100011217306_100000755118 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100000684792_100011217306 [0,2,0,0,0,0|2,0,0]=4 6264 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100011217306_100000684792 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.17 CC(SCCF)c1ccc(cc1)F 62a_100000743420_100011217306 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.17 CC(SCCF)c1ccc(cc1)F 62a_100011217306_100000743420 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000211926_100000755118 [0,2,0,0,0,0|2,0,0]=4 6268 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000755118_100000211926 [0,2,0,0,0,0|2,0,0]=4 6269 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000211926_100000684792 [0,2,0,0,0,0|2,0,0]=4 6270 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000684792_100000211926 [0,2,0,0,0,0|2,0,0]=4 6271 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000211926_100000743420 [0,2,0,0,0,0|2,0,0]=4 6272 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000743420_100000211926 [0,2,0,0,0,0|2,0,0]=4 6273 B13R1.17 CC=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000070051 [0,2,0,0,0,0|2,0,0]=4 6274 B13R1.17 CC=CCN(C)c1ccc(cc1)Br 34a_100000219623_100000070051 [0,2,0,0,0,0|2,0,0]=4 6275 B13R1.17 CC=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000070051 [0,2,0,0,0,0|2,0,0]=4 6276 B13R1.17 CC=CCN(C)c1ccc(cc1)C 34a_100000219977_100000070051 [0,2,0,0,0,0|2,0,0]=4 6277 B13R1.17 CC=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000070051 [0,2,0,0,0,0|2,0,0]=4 6278 B13R1.17 CC=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000070051 [0,2,0,0,0,0|2,0,0]=4 6279 B13R1.17 CC=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000070051 [0,2,0,0,0,0|2,0,0]=4 6280 B13R1.17 CC=CCN(C)c1ccc(cc1)F 34a_100000219829_100000070051 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.17 CC=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000070051 [0,2,0,0,0,0|2,0,0]=4 6282 B13R1.17 CC=CCN(C)c1ccc(cc1)I 34a_100000743151_100000070051 [0,2,0,0,0,0|2,0,0]=4 6283 B13R1.17 CC=CCN(C)c1ccc(cc1)O 34a_100000182112_100000070051 [0,2,0,0,0,0|2,0,0]=4 6284 B13R1.17 CCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210211 [0,2,0,0,0,0|2,0,0]=4 6285 B13R1.17 CCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210211 [0,2,0,0,0,0|2,0,0]=4 6286 B13R1.17 CCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210210 [0,2,0,0,0,0|2,0,0]=4 6287 B13R1.17 CCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210211 [0,2,0,0,0,0|2,0,0]=4 6288 B13R1.17 CCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210211 [0,2,0,0,0,0|2,0,0]=4 6289 B13R1.17 CCCCN(C)c1ccc(cc1)C 34a_100000219977_100000210210 [0,2,0,0,0,0|2,0,0]=4 6290 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 6291 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210211 [0,2,0,0,0,0|2,0,0]=4 6292 B13R1.17 CCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210210 [0,2,0,0,0,0|2,0,0]=4 6293 B13R1.17 CCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210211 [0,2,0,0,0,0|2,0,0]=4 6294 B13R1.17 CCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210211 [0,2,0,0,0,0|2,0,0]=4 6295 B13R1.17 CCCCN(C)c1ccc(cc1)F 34a_100000219829_100000210210 [0,2,0,0,0,0|2,0,0]=4 6296 B13R1.17 CCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210211 [0,2,0,0,0,0|2,0,0]=4 6297 B13R1.17 CCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210211 [0,2,0,0,0,0|2,0,0]=4 6298 B13R1.17 CCCCN(C)c1ccc(cc1)I 34a_100000743151_100000210210 [0,2,0,0,0,0|2,0,0]=4 6299 B13R1.17 CCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210211 [0,2,0,0,0,0|2,0,0]=4 6300 B13R1.17 CCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210210 [0,2,0,0,0,0|2,0,0]=4 6301 B13R1.17 CCCNC(C)c1cc[n+](cc1)[O-] 269862a_100020643023_100000076990 [0,2,0,0,0,0|2,0,0]=4 6302 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,2,0,0,0,0|1,0,0]=3 6303 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,2,0,0,0,0|1,0,0]=3 6304 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,2,0,0,0,0|1,0,0]=3 6305 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,2,0,0,0,0|1,0,0]=3 6306 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,2,0,0,0,0|1,0,0]=3 6307 B13R1.17 CCCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210303 [0,2,0,0,0,0|2,0,0]=4 6308 B13R1.17 CCCNC(C)c1ccc(cn1)Br 269862a_100020643023_100000686046 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.17 CCCNC(C)c1ccc(cn1)Br 270004a_100020643023_100000686046 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.17 CCCNC(C)c1ccc(cn1)C 269862a_100020643023_100000084104 [0,2,0,0,0,0|2,0,0]=4 6311 B13R1.17 CCCNC(C)c1ccc(cn1)C 270004a_100020643023_100000084104 [0,2,0,0,0,0|2,0,0]=4 6312 B13R1.17 CCCNC(C)c1ccc(cn1)Cl 269862a_100020643023_100000692432 [0,2,0,0,0,0|2,0,0]=4 6313 B13R1.17 CCCNC(C)c1ccc(cn1)Cl 270004a_100020643023_100000692432 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.17 CCCNC(C)c1ccc(cn1)F 269862a_100020643023_100102946652 [0,2,0,0,0,0|2,0,0]=4 6315 B13R1.17 CCCNC(C)c1ccc(cn1)F 270004a_100020643023_100102946652 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.17 CCCNC(C)c1ccc(nc1)Br 269862a_100020643023_100000684857 [0,2,0,0,0,0|2,0,0]=4 6317 B13R1.17 CCCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210303 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.17 CCCNC(C)c1ccc(nc1)C 269862a_100020643023_100011280547 [0,2,0,0,0,0|2,0,0]=4 6319 B13R1.17 CCCNC(C)c1ccc(nc1)C 34a_100011815741_100000210303 [0,2,0,0,0,0|2,0,0]=4 6320 B13R1.17 CCCNC(C)c1ccc(nc1)Cl 269862a_100020643023_100000690552 [0,2,0,0,0,0|2,0,0]=4 6321 B13R1.17 CCCNC(C)c1ccc(nc1)F 269862a_100020643023_100000085738 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,2,0,0,0,0|1,0,0]=3 6323 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,2,0,0,0,0|1,0,0]=3 6324 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,2,0,0,0,0|1,0,0]=3 6325 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,2,0,0,0,0|1,0,0]=3 6326 B13R1.17 CCCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000210303 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,2,0,0,0,0|1,0,0]=3 6328 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,2,0,0,0,0|1,0,0]=3 6329 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,2,0,0,0,0|1,0,0]=3 6330 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,2,0,0,0,0|1,0,0]=3 6331 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,2,0,0,0,0|1,0,0]=3 6332 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,2,0,0,0,0|1,0,0]=3 6333 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,2,0,0,0,0|1,0,0]=3 6334 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,2,0,0,0,0|1,0,0]=3 6335 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,2,0,0,0,0|1,0,0]=3 6336 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,2,0,0,0,0|1,0,0]=3 6337 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,2,0,0,0,0|1,0,0]=3 6338 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,2,0,0,0,0|1,0,0]=3 6339 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,2,0,0,0,0|1,0,0]=3 6340 B13R1.17 CCCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210303 [0,2,0,0,0,0|2,0,0]=4 6341 B13R1.17 CCCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210303 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.17 CCCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210303 [0,2,0,0,0,0|2,0,0]=4 6343 B13R1.17 CCCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210303 [0,2,0,0,0,0|2,0,0]=4 6344 B13R1.17 CCCOC(C)c1ccc(nc1)C 34a_200011815720_100000210303 [0,2,0,0,0,0|2,0,0]=4 6345 B13R1.17 CCCOC(C)c1ccc(nc1)C 7a_200011815720_100000210303 [0,2,0,0,0,0|2,0,0]=4 6346 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210303 [0,2,0,0,0,0|2,0,0]=4 6347 B13R1.17 CCCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210303 [0,2,0,0,0,0|2,0,0]=4 6348 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,2,0,0,0,0|1,0,0]=3 6349 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,2,0,0,0,0|1,0,0]=3 6350 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,2,0,0,0,0|1,0,0]=3 6351 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,2,0,0,0,0|1,0,0]=3 6352 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,2,0,0,0,0|1,0,0]=3 6353 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,2,0,0,0,0|1,0,0]=3 6354 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,2,0,0,0,0|1,0,0]=3 6355 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,2,0,0,0,0|1,0,0]=3 6356 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,2,0,0,0,0|1,0,0]=3 6357 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,2,0,0,0,0|1,0,0]=3 6358 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,2,0,0,0,0|1,0,0]=3 6359 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,2,0,0,0,0|1,0,0]=3 6360 B13R1.17 CCNCC(=O)c1ccc(cc1)C 2230a_100015525214_100000211441 [0,2,0,0,0,0|1,0,1]=4 6361 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [0,2,0,0,0,0|0,0,0]=2 6362 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [0,2,0,0,0,0|1,0,0]=3 6363 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,2,0,0,0,0|1,0,0]=3 6364 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [0,2,0,0,0,0|1,0,0]=3 6365 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [0,2,0,0,0,0|1,0,0]=3 6366 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [0,2,0,0,0,0|1,0,0]=3 6367 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [0,2,0,0,0,0|1,0,0]=3 6368 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|1,0,0]=3 6369 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [0,2,0,0,0,0|1,0,0]=3 6370 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [0,2,0,0,0,0|1,0,0]=3 6371 B13R1.17 CCNN=C(C)c1ccc(cc1)Br 4a_100000756455_100000185794 [0,2,0,0,0,0|1,0,1]=4 6372 B13R1.17 CCNN=C(C)c1ccc(cc1)C 4a_100000756455_100000185793 [0,2,0,0,0,0|1,0,1]=4 6373 B13R1.17 CCNN=C(C)c1ccc(cc1)Cl 4a_100000756455_100000185797 [0,2,0,0,0,0|1,0,1]=4 6374 B13R1.17 CCNN=C(C)c1ccc(cc1)F 4a_100000756455_100000185800 [0,2,0,0,0,0|1,0,1]=4 6375 B13R1.17 CCNN=C(C)c1ccc(cc1)I 4a_100000756455_100000185465 [0,2,0,0,0,0|1,0,1]=4 6376 B13R1.17 CCNN=C(C)c1ccc(cc1)O 4a_100000756455_100000185113 [0,2,0,0,0,0|1,0,1]=4 6377 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.17 CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,2,0,0,0,0|2,0,0]=4 6380 B13R1.17 CCOCN(C)c1ccc(cc1)Br 269982a_100000219623_100000739092 [0,2,0,0,0,0|2,0,0]=4 6381 B13R1.17 CCOCN(C)c1ccc(cc1)C 269982a_100000219977_100000739092 [0,2,0,0,0,0|2,0,0]=4 6382 B13R1.17 CCOCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000739092 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.17 CCOCN(C)c1ccc(cc1)F 269982a_100000219829_100000739092 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.17 CCOCN(C)c1ccc(cc1)I 269982a_100000743151_100000739092 [0,2,0,0,0,0|2,0,0]=4 6385 B13R1.17 CCOCN(C)c1ccc(cc1)O 269982a_100000182112_100000739092 [0,2,0,0,0,0|2,0,0]=4 6386 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.17 CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 6388 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [0,2,0,0,0,0|2,0,0]=4 6389 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [0,2,0,0,0,0|2,0,0]=4 6390 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [0,2,0,0,0,0|2,0,0]=4 6391 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [0,2,0,0,0,0|2,0,0]=4 6392 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [0,2,0,0,0,0|2,0,0]=4 6393 B13R1.17 CN(CCCF)c1ccc(cc1)Br 2230a_100000219623_100011934791 [0,2,0,0,0,0|2,0,0]=4 6394 B13R1.17 CN(CCCF)c1ccc(cc1)Br 269982a_100000219623_100011934791 [0,2,0,0,0,0|2,0,0]=4 6395 B13R1.17 CN(CCCF)c1ccc(cc1)Br 34a_100000219623_100011934791 [0,2,0,0,0,0|2,0,0]=4 6396 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 2230a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 6397 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 269982a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 6398 B13R1.17 CN(CCCF)c1ccc(cc1)Cl 34a_100020629279_100011934791 [0,2,0,0,0,0|2,0,0]=4 6399 B13R1.17 CN(CCCF)c1ccc(cc1)F 2230a_100000219829_100011934791 [0,2,0,0,0,0|2,0,0]=4 6400 B13R1.17 CN(CCCF)c1ccc(cc1)F 269982a_100000219829_100011934791 [0,2,0,0,0,0|2,0,0]=4 6401 B13R1.17 CN(CCCF)c1ccc(cc1)F 34a_100000219829_100011934791 [0,2,0,0,0,0|2,0,0]=4 6402 B13R1.17 CN(CCCF)c1ccc(cc1)I 2230a_100000743151_100011934791 [0,2,0,0,0,0|2,0,0]=4 6403 B13R1.17 CN(CCCF)c1ccc(cc1)I 269982a_100000743151_100011934791 [0,2,0,0,0,0|2,0,0]=4 6404 B13R1.17 CN(CCCF)c1ccc(cc1)I 34a_100000743151_100011934791 [0,2,0,0,0,0|2,0,0]=4 6405 B13R1.17 CN(CCCF)c1ccc(cc1)O 269982a_100000182112_100011934791 [0,2,0,0,0,0|2,0,0]=4 6406 B13R1.17 CN(CCCF)c1ccc(cc1)O 34a_100000182112_100011934791 [0,2,0,0,0,0|2,0,0]=4 6407 B13R1.17 CN(CCCO)c1ccc(cc1)Br 2230a_100000219623_100000230001 [0,2,0,0,0,0|2,0,0]=4 6408 B13R1.17 CN(CCCO)c1ccc(cc1)Br 269982a_100000219623_100011215043 [0,2,0,0,0,0|2,0,0]=4 6409 B13R1.17 CN(CCCO)c1ccc(cc1)Br 34a_100000219623_100000230001 [0,2,0,0,0,0|2,0,0]=4 6410 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 2230a_100020629279_100000230001 [0,2,0,0,0,0|2,0,0]=4 6411 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 269982a_100020629279_100011215043 [0,2,0,0,0,0|2,0,0]=4 6412 B13R1.17 CN(CCCO)c1ccc(cc1)Cl 34a_100020629279_100000230001 [0,2,0,0,0,0|2,0,0]=4 6413 B13R1.17 CN(CCCO)c1ccc(cc1)F 2230a_100000219829_100000230001 [0,2,0,0,0,0|2,0,0]=4 6414 B13R1.17 CN(CCCO)c1ccc(cc1)F 269982a_100000219829_100011215043 [0,2,0,0,0,0|2,0,0]=4 6415 B13R1.17 CN(CCCO)c1ccc(cc1)F 34a_100000219829_100000230001 [0,2,0,0,0,0|2,0,0]=4 6416 B13R1.17 CN(CCCO)c1ccc(cc1)I 2230a_100000743151_100000230001 [0,2,0,0,0,0|2,0,0]=4 6417 B13R1.17 CN(CCCO)c1ccc(cc1)I 269982a_100000743151_100011215043 [0,2,0,0,0,0|2,0,0]=4 6418 B13R1.17 CN(CCCO)c1ccc(cc1)I 34a_100000743151_100000230001 [0,2,0,0,0,0|2,0,0]=4 6419 B13R1.17 CN(CCCO)c1ccc(cc1)O 269982a_100000182112_100011215043 [0,2,0,0,0,0|2,0,0]=4 6420 B13R1.17 CN(CCCO)c1ccc(cc1)O 34a_100000182112_100000230001 [0,2,0,0,0,0|2,0,0]=4 6421 B13R1.17 CNCCC(=O)c1ccc(cc1)Br 7a_106832991635_100011215963 [0,2,0,0,0,0|1,0,1]=4 6422 B13R1.17 CNCCC(=O)c1ccc(cc1)C 2230a_106832991635_100000701375 [0,2,0,0,0,0|1,0,1]=4 6423 B13R1.17 CNCCC(=O)c1ccc(cc1)C 7a_106832991635_100000701375 [0,2,0,0,0,0|1,0,1]=4 6424 B13R1.17 CNCCC(=O)c1ccc(cc1)Cl 7a_106832991635_100011216492 [0,2,0,0,0,0|1,0,1]=4 6425 B13R1.17 CNCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211231 [0,2,0,0,0,0|1,0,1]=4 6426 B13R1.17 CNCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211231 [0,2,0,0,0,0|1,0,1]=4 6427 B13R1.17 CNCCC(=O)c1ccc(cc1)O 2230a_106832991635_100009879949 [0,2,0,0,0,0|1,0,1]=4 6428 B13R1.17 CNCCC(=O)c1ccc(cc1)O 7a_106832991635_100009879949 [0,2,0,0,0,0|1,0,1]=4 6429 B13R1.17 COCCC(N)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 6430 B13R1.17 COCCC(N)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 6431 B13R1.17 COCCC(N)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 6432 B13R1.17 COCCN(C)c1ccc(cc1)Br 2230a_100000219623_100011201679 [0,2,0,0,0,0|2,0,0]=4 6433 B13R1.17 COCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000233755 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.17 COCCN(C)c1ccc(cc1)Br 34a_100000219623_100011201679 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.17 COCCN(C)c1ccc(cc1)C 2230a_100000219977_100011201679 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.17 COCCN(C)c1ccc(cc1)C 269982a_100000219977_100000233755 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.17 COCCN(C)c1ccc(cc1)C 34a_100000219977_100011201679 [0,2,0,0,0,0|2,0,0]=4 6438 B13R1.17 COCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011201679 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.17 COCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000233755 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.17 COCCN(C)c1ccc(cc1)Cl 34a_100020629279_100011201679 [0,2,0,0,0,0|2,0,0]=4 6441 B13R1.17 COCCN(C)c1ccc(cc1)F 2230a_100000219829_100011201679 [0,2,0,0,0,0|2,0,0]=4 6442 B13R1.17 COCCN(C)c1ccc(cc1)F 269982a_100000219829_100000233755 [0,2,0,0,0,0|2,0,0]=4 6443 B13R1.17 COCCN(C)c1ccc(cc1)F 34a_100000219829_100011201679 [0,2,0,0,0,0|2,0,0]=4 6444 B13R1.17 COCCN(C)c1ccc(cc1)I 2230a_100000743151_100011201679 [0,2,0,0,0,0|2,0,0]=4 6445 B13R1.17 COCCN(C)c1ccc(cc1)I 269982a_100000743151_100000233755 [0,2,0,0,0,0|2,0,0]=4 6446 B13R1.17 COCCN(C)c1ccc(cc1)I 34a_100000743151_100011201679 [0,2,0,0,0,0|2,0,0]=4 6447 B13R1.17 COCCN(C)c1ccc(cc1)O 269982a_100000182112_100000233755 [0,2,0,0,0,0|2,0,0]=4 6448 B13R1.17 COCCN(C)c1ccc(cc1)O 34a_100000182112_100011201679 [0,2,0,0,0,0|2,0,0]=4 6449 B13R1.17 COCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 6450 B13R1.17 COCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200000210301 [0,2,0,0,0,0|2,0,0]=4 6451 B13R1.17 COCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000766300 [0,2,0,0,0,0|2,0,0]=4 6452 B13R1.17 COCNC(C)c1ccc(nc1)C 2230a_100011815741_100000766300 [0,2,0,0,0,0|2,0,0]=4 6453 B13R1.17 COCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000766300 [0,2,0,0,0,0|1,0,0]=3 6454 B13R1.17 COCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000766300 [0,2,0,0,0,0|1,0,0]=3 6455 B13R1.17 COCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000766300 [0,2,0,0,0,0|1,0,0]=3 6456 B13R1.17 COCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000766300 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.17 COCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000766300 [0,2,0,0,0,0|1,0,0]=3 6458 B13R1.17 COCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000766300 [0,2,0,0,0,0|1,0,0]=3 6459 B13R1.17 COCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000766300 [0,2,0,0,0,0|1,0,0]=3 6460 B13R1.17 COCSC(C)c1ccc(cc1)Br 62a_100000755118_100000766300 [0,2,0,0,0,0|1,0,0]=3 6461 B13R1.17 COCSC(C)c1ccc(cc1)Br 62a_100000766300_100000755118 [0,2,0,0,0,0|1,0,0]=3 6462 B13R1.17 COCSC(C)c1ccc(cc1)C 62a_100000766300_100011261388 [0,2,0,0,0,0|1,0,0]=3 6463 B13R1.17 COCSC(C)c1ccc(cc1)C 62a_100011261388_100000766300 [0,2,0,0,0,0|1,0,0]=3 6464 B13R1.17 COCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000766300 [0,2,0,0,0,0|1,0,0]=3 6465 B13R1.17 COCSC(C)c1ccc(cc1)Cl 62a_100000766300_100000684792 [0,2,0,0,0,0|1,0,0]=3 6466 B13R1.17 COCSC(C)c1ccc(cc1)F 62a_100000743420_100000766300 [0,2,0,0,0,0|1,0,0]=3 6467 B13R1.17 COCSC(C)c1ccc(cc1)F 62a_100000766300_100000743420 [0,2,0,0,0,0|1,0,0]=3 6468 B13R1.17 CSCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000751147 [0,2,0,0,0,0|2,0,0]=4 6469 B13R1.17 CSCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000212216 [0,2,0,0,0,0|2,0,0]=4 6470 B13R1.17 CSCCN(C)c1ccc(cc1)Br 34a_100000219623_100000212216 [0,2,0,0,0,0|2,0,0]=4 6471 B13R1.17 CSCCN(C)c1ccc(cc1)C 2230a_100000219977_100000751147 [0,2,0,0,0,0|2,0,0]=4 6472 B13R1.17 CSCCN(C)c1ccc(cc1)C 269982a_100000219977_100000212216 [0,2,0,0,0,0|2,0,0]=4 6473 B13R1.17 CSCCN(C)c1ccc(cc1)C 34a_100000219977_100000212216 [0,2,0,0,0,0|2,0,0]=4 6474 B13R1.17 CSCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000751147 [0,2,0,0,0,0|2,0,0]=4 6475 B13R1.17 CSCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000212216 [0,2,0,0,0,0|2,0,0]=4 6476 B13R1.17 CSCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000212216 [0,2,0,0,0,0|2,0,0]=4 6477 B13R1.17 CSCCN(C)c1ccc(cc1)F 2230a_100000219829_100000751147 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.17 CSCCN(C)c1ccc(cc1)F 269982a_100000219829_100000212216 [0,2,0,0,0,0|2,0,0]=4 6479 B13R1.17 CSCCN(C)c1ccc(cc1)F 34a_100000219829_100000212216 [0,2,0,0,0,0|2,0,0]=4 6480 B13R1.17 CSCCN(C)c1ccc(cc1)I 2230a_100000743151_100000751147 [0,2,0,0,0,0|2,0,0]=4 6481 B13R1.17 CSCCN(C)c1ccc(cc1)I 269982a_100000743151_100000212216 [0,2,0,0,0,0|2,0,0]=4 6482 B13R1.17 CSCCN(C)c1ccc(cc1)I 34a_100000743151_100000212216 [0,2,0,0,0,0|2,0,0]=4 6483 B13R1.17 CSCCN(C)c1ccc(cc1)O 269982a_100000182112_100000212216 [0,2,0,0,0,0|2,0,0]=4 6484 B13R1.17 CSCCN(C)c1ccc(cc1)O 34a_100000182112_100000212216 [0,2,0,0,0,0|2,0,0]=4 6485 B13R1.17 CSCNC(C)c1ccc(cn1)Br 2230a_100000723930_100011218213 [0,2,0,0,0,0|2,0,0]=4 6486 B13R1.17 CSCNC(C)c1ccc(nc1)C 2230a_100011815741_100011218213 [0,2,0,0,0,0|2,0,0]=4 6487 B13R1.17 CSCNC(C)c1ccc(nc1)C 34a_100011815741_100011218213 [0,2,0,0,0,0|2,0,0]=4 6488 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100011218213 [0,2,0,0,0,0|1,0,0]=3 6489 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100011218213 [0,2,0,0,0,0|1,0,0]=3 6490 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100011218213 [0,2,0,0,0,0|1,0,0]=3 6491 B13R1.17 CSCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100011218213 [0,2,0,0,0,0|1,0,0]=3 6492 B13R1.17 CSCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100011218213 [0,2,0,0,0,0|2,0,0]=4 6493 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100011218213 [0,2,0,0,0,0|1,0,0]=3 6494 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011218213 [0,2,0,0,0,0|1,0,0]=3 6495 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011218213 [0,2,0,0,0,0|1,0,0]=3 6496 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100011218213 [0,2,0,0,0,0|1,0,0]=3 6497 B13R1.17 CSCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100011218213 [0,2,0,0,0,0|1,0,0]=3 6498 B13R1.17 CSCOC(C)c1ccc(cc1)Br 34a_100000745893_100011218213 [0,2,0,0,0,0|1,0,0]=3 6499 B13R1.17 CSCOC(C)c1ccc(cc1)F 34a_100000181323_100011218213 [0,2,0,0,0,0|1,0,0]=3 6500 B13R1.17 CSCOC(C)c1ccc(cc1)N 34a_100011216399_100011218213 [0,2,0,0,0,0|1,0,0]=3 6501 B13R1.17 CSCOC(C)c1ccc(cn1)Br 34a_100012353650_100011218213 [0,2,0,0,0,0|2,0,0]=4 6502 B13R1.17 CSCOC(C)c1ccc(nc1)Br 34a_200010274204_100011218213 [0,2,0,0,0,0|2,0,0]=4 6503 B13R1.17 CSCOC(C)c1ccc(nc1)C 34a_200011815720_100011218213 [0,2,0,0,0,0|2,0,0]=4 6504 B13R1.17 CSCOC(C)c1ccc(nc1)Cl 34a_200012017543_100011218213 [0,2,0,0,0,0|2,0,0]=4 6505 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218213 [0,2,0,0,0,0|1,0,0]=3 6506 B13R1.17 CSCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011218213 [0,2,0,0,0,0|1,0,0]=3 6507 B13R1.17 CSCSC(C)c1ccc(cc1)Br 62a_100000755118_100011218213 [0,2,0,0,0,0|1,0,0]=3 6508 B13R1.17 CSCSC(C)c1ccc(cc1)Br 62a_100011218213_100000755118 [0,2,0,0,0,0|1,0,0]=3 6509 B13R1.17 CSCSC(C)c1ccc(cc1)C 62a_100011218213_100011261388 [0,2,0,0,0,0|1,0,0]=3 6510 B13R1.17 CSCSC(C)c1ccc(cc1)C 62a_100011261388_100011218213 [0,2,0,0,0,0|1,0,0]=3 6511 B13R1.17 CSCSC(C)c1ccc(cc1)Cl 62a_100000684792_100011218213 [0,2,0,0,0,0|1,0,0]=3 6512 B13R1.17 CSCSC(C)c1ccc(cc1)Cl 62a_100011218213_100000684792 [0,2,0,0,0,0|1,0,0]=3 6513 B13R1.17 CSCSC(C)c1ccc(cc1)F 62a_100000743420_100011218213 [0,2,0,0,0,0|1,0,0]=3 6514 B13R1.17 CSCSC(C)c1ccc(cc1)F 62a_100011218213_100000743420 [0,2,0,0,0,0|1,0,0]=3 6515 B13R1.17 C[C@@H](NCC#N)c1ccc(cc1)Br 2230a_100000720352_100011215382 [0,2,0,0,0,0|2,0,0]=4 6516 B13R1.17 C[C@@H](NCC#N)c1ccc(cc1)Cl 2230a_100015205461_100011215382 [0,2,0,0,0,0|2,0,0]=4 6517 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Br 2230a_100000720352_200015260668 [0,2,0,0,0,0|2,0,0]=4 6518 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl 2230a_100015205461_200015260668 [0,2,0,0,0,0|2,0,0]=4 6519 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl 34a_100015205461_200009817547 [0,2,0,0,0,0|2,0,0]=4 6520 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Br 2230a_100000720352_100011217306 [0,2,0,0,0,0|2,0,0]=4 6521 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 2230a_100015205461_100011217306 [0,2,0,0,0,0|2,0,0]=4 6522 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 34a_100015205461_100011217306 [0,2,0,0,0,0|2,0,0]=4 6523 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Br 2230a_100000720352_100000211926 [0,2,0,0,0,0|2,0,0]=4 6524 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 2230a_100015205461_100000211926 [0,2,0,0,0,0|2,0,0]=4 6525 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 34a_100015205461_100000211926 [0,2,0,0,0,0|2,0,0]=4 6526 B13R1.17 C[C@H](NCC#N)c1ccc(cc1)F 2230a_100025705893_100011215382 [0,2,0,0,0,0|2,0,0]=4 6527 B13R1.17 C[C@H](NCC#N)c1ccc(cc1)I 2230a_100000753911_100011215382 [0,2,0,0,0,0|2,0,0]=4 6528 B13R1.17 C[C@H](NCC#N)c1ccc(cc1)O 2230a_100161106496_100011215382 [0,2,0,0,0,0|2,0,0]=4 6529 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 2230a_100025705893_200015260668 [0,2,0,0,0,0|2,0,0]=4 6530 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 34a_100025705893_200009817547 [0,2,0,0,0,0|2,0,0]=4 6531 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)I 2230a_100000753911_200015260668 [0,2,0,0,0,0|2,0,0]=4 6532 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)O 2230a_100161106496_200015260668 [0,2,0,0,0,0|2,0,0]=4 6533 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 2230a_100025705893_100011217306 [0,2,0,0,0,0|2,0,0]=4 6534 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 34a_100025705893_100011217306 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.17 C[C@H](NCCF)c1ccc(cc1)I 2230a_100000753911_100011217306 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.17 C[C@H](NCCF)c1ccc(cc1)O 2230a_100161106496_100011217306 [0,2,0,0,0,0|2,0,0]=4 6537 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 2230a_100025705893_100000211926 [0,2,0,0,0,0|2,0,0]=4 6538 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 34a_100025705893_100000211926 [0,2,0,0,0,0|2,0,0]=4 6539 B13R1.17 C[C@H](NCCO)c1ccc(cc1)I 2230a_100000753911_100000211926 [0,2,0,0,0,0|2,0,0]=4 6540 B13R1.17 C[C@H](NCCO)c1ccc(cc1)O 2230a_100161106496_100000211926 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.17 C[C@H](OCC#N)c1ccc(cc1)Cl 7a_100011852131_100011215382 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 34a_100011852131_200009817547 [0,2,0,0,0,0|2,0,0]=4 6543 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 7a_100011852131_200015260668 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 34a_100011852131_100011217306 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 7a_100011852131_100011217306 [0,2,0,0,0,0|2,0,0]=4 6546 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [0,2,0,0,0,0|2,0,0]=4 6547 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.17 Cc1ccc(cc1)C(C)NCCF 269862a_100000724931_100000185793 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.17 Cc1ccc(cc1)C(C)NCCF 34a_100000724931_100011261388 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.17 Cc1ccc(cc1)C(C)NCCO 2230a_100016997473_100011261388 [0,2,0,0,0,0|2,0,0]=4 6551 B13R1.17 Cc1ccc(cc1)C(C)NCCO 269862a_100000210304_100000185793 [0,2,0,0,0,0|2,0,0]=4 6552 B13R1.17 Cc1ccc(cc1)C(C)NCCO 34a_100016990907_100011261388 [0,2,0,0,0,0|2,0,0]=4 6553 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,2,0,0,0,0|2,0,0]=4 6554 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,2,0,0,0,0|2,0,0]=4 6555 B13R1.17 Cc1ccc(cc1)C(C)SCC#N 62a_100011215382_100011261388 [0,2,0,0,0,0|2,0,0]=4 6556 B13R1.17 Cc1ccc(cc1)C(C)SCC#N 62a_100011261388_100011215382 [0,2,0,0,0,0|2,0,0]=4 6557 B13R1.17 Cc1ccc(cc1)C(C)SCC=O 62a_100011261388_200015260668 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.17 Cc1ccc(cc1)C(C)SCC=O 62a_200015260668_100011261388 [0,2,0,0,0,0|2,0,0]=4 6559 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011217306_100011261388 [0,2,0,0,0,0|2,0,0]=4 6560 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011261388_100011217306 [0,2,0,0,0,0|2,0,0]=4 6561 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100000211926_100011261388 [0,2,0,0,0,0|2,0,0]=4 6562 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100011261388_100000211926 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.17 Cc1ccc(cc1)C(N)CCO[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.17 Cc1ccc(cc1)C(O)CNCF 34a_200020610344_100015361967 [0,2,0,0,0,0|1,0,0]=3 6565 B13R1.17 Cc1ccc(cc1)N(C)CCCF 2230a_100000219977_100011934791 [0,2,0,0,0,0|2,0,0]=4 6566 B13R1.17 Cc1ccc(cc1)N(C)CCCF 269982a_100000219977_100011934791 [0,2,0,0,0,0|2,0,0]=4 6567 B13R1.17 Cc1ccc(cc1)N(C)CCCF 34a_100000219977_100011934791 [0,2,0,0,0,0|2,0,0]=4 6568 B13R1.17 Cc1ccc(cc1)N(C)CCCO 2230a_100000219977_100000230001 [0,2,0,0,0,0|2,0,0]=4 6569 B13R1.17 Cc1ccc(cc1)N(C)CCCO 269982a_100000219977_100011215043 [0,2,0,0,0,0|2,0,0]=4 6570 B13R1.17 Cc1ccc(cc1)N(C)CCCO 34a_100000219977_100000230001 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC#N 2230a_100016988085_100011215382 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 2230a_100016988085_200015260668 [0,2,0,0,0,0|2,0,0]=4 6573 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 34a_100016988085_200009817547 [0,2,0,0,0,0|2,0,0]=4 6574 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 2230a_100016988085_100011217306 [0,2,0,0,0,0|2,0,0]=4 6575 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 34a_100016988085_100011217306 [0,2,0,0,0,0|2,0,0]=4 6576 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 2230a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 6577 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 34a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 6578 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC#N 7a_100000690690_100011215382 [0,2,0,0,0,0|2,0,0]=4 6579 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 34a_100000690690_200009817547 [0,2,0,0,0,0|2,0,0]=4 6580 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 7a_100000690690_200015260668 [0,2,0,0,0,0|2,0,0]=4 6581 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,2,0,0,0,0|2,0,0]=4 6582 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,2,0,0,0,0|2,0,0]=4 6583 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,2,0,0,0,0|2,0,0]=4 6584 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,2,0,0,0,0|2,0,0]=4 6585 B13R1.17 Cc1ccc(cc1)[C@@H](N)COCF 34a_100009818840_100015361967 [0,2,0,0,0,0|2,0,0]=4 6586 B13R1.17 NC(COCF)c1ccc(cc1)Br 34a_100000734186_100015361967 [0,2,0,0,0,0|2,0,0]=4 6587 B13R1.17 NC(COCF)c1ccc(cc1)F 34a_100000705410_100015361967 [0,2,0,0,0,0|2,0,0]=4 6588 B13R1.17 N[C@H](COCF)c1ccc(cc1)Cl 34a_100009818818_100015361967 [0,2,0,0,0,0|2,0,0]=4 6589 B13R1.17 OC(CNCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [0,2,0,0,0,0|1,0,0]=3 6590 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [0,2,0,0,0,0|1,0,0]=3 6591 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_100015361967_200011996143 [0,2,0,0,0,0|2,0,0]=4 6592 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_200011996143_100015361967 [0,2,0,0,0,0|2,0,0]=4 6593 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100000720402_100015361967 [0,2,0,0,0,0|2,0,0]=4 6594 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100015361967_100000720402 [0,2,0,0,0,0|2,0,0]=4 6595 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [0,2,0,0,0,0|1,0,0]=3 6596 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 6597 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 6598 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 6599 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200025704644 [0,2,0,0,0,0|2,0,0]=4 6600 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 6601 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 6602 B13R1.17 [2H]C(OCSC)c1ccc(cc1)F 34a_217856618577_100011218213 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Br 1458a_100000210414_100000755118 [0,2,0,0,0,0|1,0,1]=4 6604 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000210414_100011261388 [0,2,0,0,0,0|1,0,1]=4 6605 B13R1.21 CCC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_100000210202 [0,2,0,0,0,0|1,0,1]=4 6606 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100000210414_100000684792 [0,2,0,0,0,0|1,0,1]=4 6607 B13R1.21 CCC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_100000210202 [0,2,0,0,0,0|1,0,1]=4 6608 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100000210414_100000743420 [0,2,0,0,0,0|1,0,1]=4 6609 B13R1.21 CCC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_100000210202 [0,2,0,0,0,0|1,0,1]=4 6610 B13R1.21 CCC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_100000210202 [0,2,0,0,0,0|1,0,1]=4 6611 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100000758301 [0,2,0,0,0,0|2,0,0]=4 6612 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100000758301 [0,2,0,0,0,0|2,0,0]=4 6613 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 34a_100000219623_100011215416 [0,2,0,0,0,0|2,0,0]=4 6614 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 2230a_100000219977_100000758301 [0,2,0,0,0,0|2,0,0]=4 6615 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100000758301 [0,2,0,0,0,0|2,0,0]=4 6616 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 34a_100000219977_100011215416 [0,2,0,0,0,0|2,0,0]=4 6617 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000758301 [0,2,0,0,0,0|2,0,0]=4 6618 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000758301 [0,2,0,0,0,0|2,0,0]=4 6619 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100011215416 [0,2,0,0,0,0|2,0,0]=4 6620 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 2230a_100000219829_100000758301 [0,2,0,0,0,0|2,0,0]=4 6621 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100000758301 [0,2,0,0,0,0|2,0,0]=4 6622 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 34a_100000219829_100011215416 [0,2,0,0,0,0|2,0,0]=4 6623 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000758301 [0,2,0,0,0,0|2,0,0]=4 6624 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000758301 [0,2,0,0,0,0|2,0,0]=4 6625 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 34a_100000743151_100011215416 [0,2,0,0,0,0|2,0,0]=4 6626 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000758301 [0,2,0,0,0,0|2,0,0]=4 6627 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 34a_100000182112_100011215416 [0,2,0,0,0,0|2,0,0]=4 6628 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000225621_100000755118 [0,2,0,0,0,0|2,0,0]=4 6629 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000210202 [0,2,0,0,0,0|2,0,0]=4 6630 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000225621_100000755118 [0,2,0,0,0,0|2,0,0]=4 6631 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000204670 [0,2,0,0,0,0|2,0,0]=4 6632 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 2230a_100000225621_100011261388 [0,2,0,0,0,0|2,0,0]=4 6633 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 269982a_100000225621_100011261388 [0,2,0,0,0,0|2,0,0]=4 6634 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000225621_100000684792 [0,2,0,0,0,0|2,0,0]=4 6635 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000210202 [0,2,0,0,0,0|2,0,0]=4 6636 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000225621_100000684792 [0,2,0,0,0,0|2,0,0]=4 6637 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000204670 [0,2,0,0,0,0|2,0,0]=4 6638 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000210202 [0,2,0,0,0,0|2,0,0]=4 6639 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222793_200000210301 [0,2,0,0,0,0|2,0,0]=4 6640 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000225621_100000743420 [0,2,0,0,0,0|2,0,0]=4 6641 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000204670 [0,2,0,0,0,0|2,0,0]=4 6642 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222793_200000210301 [0,2,0,0,0,0|2,0,0]=4 6643 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000225621_100000743420 [0,2,0,0,0,0|2,0,0]=4 6644 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100000210202 [0,2,0,0,0,0|2,0,0]=4 6645 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222793_200000210301 [0,2,0,0,0,0|2,0,0]=4 6646 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 2230a_100000222793_200025704644 [0,2,0,0,0,0|2,0,0]=4 6647 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 269982a_100000222793_200025704644 [0,2,0,0,0,0|2,0,0]=4 6648 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 34a_100000222793_200025704644 [0,2,0,0,0,0|2,0,0]=4 6649 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,2,0,0,0,0|0,0,1]=3 6650 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,2,0,0,0,0|0,0,1]=3 6651 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,2,0,0,0,0|0,0,1]=3 6652 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,2,0,0,0,0|0,0,1]=3 6653 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,2,0,0,0,0|0,0,1]=3 6654 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,2,0,0,0,0|0,0,1]=3 6655 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,2,0,0,0,0|0,0,1]=3 6656 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,2,0,0,0,0|0,0,1]=3 6657 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,2,0,0,0,0|0,0,1]=3 6658 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,2,0,0,0,0|0,0,1]=3 6659 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,2,0,0,0,0|0,0,1]=3 6660 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,2,0,0,0,0|0,0,1]=3 6661 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,2,0,0,0,0|0,0,1]=3 6662 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,2,0,0,0,0|1,0,1]=4 6663 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,2,0,0,0,0|1,0,1]=4 6664 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,2,0,0,0,0|1,0,1]=4 6665 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,2,0,0,0,0|1,0,1]=4 6666 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,2,0,0,0,0|1,0,1]=4 6667 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,2,0,0,0,0|1,0,1]=4 6668 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,2,0,0,0,0|1,0,1]=4 6669 B13R1.21 CNC(=O)N(C)c1ccc(cc1)Br 512a_106832991638_100000219623 [0,2,0,0,0,0|1,0,1]=4 6670 B13R1.21 CNC(=O)N(C)c1ccc(cc1)C 512a_106832991638_100000219977 [0,2,0,0,0,0|1,0,1]=4 6671 B13R1.21 CNC(=O)N(C)c1ccc(cc1)I 512a_100000743151_100102657272 [0,2,0,0,0,0|1,0,1]=4 6672 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,2,0,0,0,0|1,0,1]=4 6673 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,2,0,0,0,0|1,0,1]=4 6674 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 2230a_106832991635_100000184162 [0,2,0,0,0,0|1,0,1]=4 6675 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 34a_100102657272_100000184162 [0,2,0,0,0,0|1,0,1]=4 6676 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 7a_106832991635_100000184162 [0,2,0,0,0,0|1,0,1]=4 6677 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 2230a_106832991635_100000726416 [0,2,0,0,0,0|1,0,1]=4 6678 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 34a_100102657272_100000726416 [0,2,0,0,0,0|1,0,1]=4 6679 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 7a_106832991635_100000183984 [0,2,0,0,0,0|1,0,1]=4 6680 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 2230a_106832991635_100000183210 [0,2,0,0,0,0|1,0,1]=4 6681 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991635_100000183210 [0,2,0,0,0,0|1,0,1]=4 6682 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 2230a_106832991635_100000229918 [0,2,0,0,0,0|1,0,1]=4 6683 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 34a_100102657272_100000229918 [0,2,0,0,0,0|1,0,1]=4 6684 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 7a_106832991635_100000229918 [0,2,0,0,0,0|1,0,1]=4 6685 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 2230a_106832991635_200010205864 [0,2,0,0,0,0|1,0,1]=4 6686 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 34a_100102657272_200010205864 [0,2,0,0,0,0|1,0,1]=4 6687 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 7a_106832991635_200010205864 [0,2,0,0,0,0|1,0,1]=4 6688 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200000210301 [0,2,0,0,0,0|1,0,0]=3 6689 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200000210301 [0,2,0,0,0,0|1,0,0]=3 6690 B13R1.21 COC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100009879195 [0,2,0,0,0,0|2,0,0]=4 6691 B13R1.21 COC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100009879195 [0,2,0,0,0,0|2,0,0]=4 6692 B13R1.21 COC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100009879195 [0,2,0,0,0,0|2,0,0]=4 6693 B13R1.21 COC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100009879195 [0,2,0,0,0,0|2,0,0]=4 6694 B13R1.21 COC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100009879195 [0,2,0,0,0,0|2,0,0]=4 6695 B13R1.21 COC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100009879195 [0,2,0,0,0,0|2,0,0]=4 6696 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200025704644 [0,2,0,0,0,0|1,0,0]=3 6697 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,2,0,0,0,0|1,0,0]=3 6698 B13R1.29 CC(C)(CN[13CH3])c1ccc(cc1)Cl 2230a_100000742012_200025704644 [0,2,0,0,0,0|0,0,0]=2 6699 B13R1.29 CC(C)(CO[13CH3])c1ccc(cc1)Cl 34a_100000068334_200025704644 [0,2,0,0,0,0|1,0,0]=3 6700 B13R1.29 CC(C)(CO[13CH3])c1ccc(cc1)Cl 7a_100000068334_200025704644 [0,2,0,0,0,0|1,0,0]=3 6701 B13R1.29 CC(C)(CO[13CH3])c1ccc(cc1)N 34a_103496529068_200025704644 [0,2,0,0,0,0|1,0,0]=3 6702 B13R1.29 CCNC(C)(C)c1ccc(cc1)Br 2230a_100000739617_100000210202 [0,2,0,0,0,0|2,0,0]=4 6703 B13R1.29 CCNC(C)(C)c1ccc(cc1)C 2230a_200011345931_100000210202 [0,2,0,0,0,0|2,0,0]=4 6704 B13R1.29 CCNC(C)(C)c1ccc(cc1)C 34a_200011345931_100000210202 [0,2,0,0,0,0|2,0,0]=4 6705 B13R1.29 CCNC(C)(C)c1ccc(cc1)Cl 2230a_100000750703_100000210202 [0,2,0,0,0,0|2,0,0]=4 6706 B13R1.29 CCNC(C)(C)c1ccc(cc1)F 2230a_100015193028_100000210202 [0,2,0,0,0,0|2,0,0]=4 6707 B13R1.29 CCNC(C)(C)c1ccc(cc1)F 34a_100015193028_100000210202 [0,2,0,0,0,0|2,0,0]=4 6708 B13R1.29 CCOC(C)(C)c1ccc(cc1)Br 34a_100000753367_100000210202 [0,2,0,0,0,0|2,0,0]=4 6709 B13R1.29 CCOC(C)(C)c1ccc(cc1)Br 7a_100000753367_100000210202 [0,2,0,0,0,0|2,0,0]=4 6710 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000210202 [0,2,0,0,0,0|2,0,0]=4 6711 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000210202 [0,2,0,0,0,0|2,0,0]=4 6712 B13R1.29 CCOC(C)(C)c1ccc(cc1)Cl 34a_100000750429_100000210202 [0,2,0,0,0,0|2,0,0]=4 6713 B13R1.29 CCOC(C)(C)c1ccc(cc1)Cl 7a_100000750429_100000210202 [0,2,0,0,0,0|2,0,0]=4 6714 B13R1.29 CCOC(C)(C)c1ccc(cc1)F 34a_100011219992_100000210202 [0,2,0,0,0,0|2,0,0]=4 6715 B13R1.29 CCOC(C)(C)c1ccc(cc1)F 7a_100011219992_100000210202 [0,2,0,0,0,0|2,0,0]=4 6716 B13R1.29 CNCC(C)(C)c1ccc(cc1)Br 270004a_106832991635_100010228009 [0,2,0,0,0,0|0,0,0]=2 6717 B13R1.29 CNCC(C)(C)c1ccc(cc1)Cl 2230a_100000742012_200000210301 [0,2,0,0,0,0|0,0,0]=2 6718 B13R1.29 CNCC(F)(F)c1ccc(cc1)Br 34a_100102657272_100010185546 [0,2,0,0,0,0|1,0,0]=3 6719 B13R1.29 CNCS(=O)(=O)c1ccc(cc1)C 34a_100102657272_100000183660 [0,2,0,0,0,0|2,0,0]=4 6720 B13R1.29 COCC(C)(C)c1ccc(cc1)Cl 34a_100000068334_200000210301 [0,2,0,0,0,0|1,0,0]=3 6721 B13R1.29 COCC(C)(C)c1ccc(cc1)Cl 7a_100000068334_200000210301 [0,2,0,0,0,0|1,0,0]=3 6722 B13R1.29 COCC(C)(C)c1ccc(cc1)N 34a_103496529068_200000210301 [0,2,0,0,0,0|1,0,0]=3 6723 B13R1.29 COCC(F)(F)c1ccc(cc1)Br 34a_100138415774_100010185546 [0,2,0,0,0,0|2,0,0]=4 6724 B13R1.29 CSCC(F)(F)c1ccc(cc1)Br 62a_100010185546_200000210301 [0,2,0,0,0,0|2,0,0]=4 6725 B13R1.29 CSCC(F)(F)c1ccc(cc1)Br 62a_200000210301_100010185546 [0,2,0,0,0,0|2,0,0]=4 6726 B13R1.29 [13CH3]SCC(F)(F)c1ccc(cc1)Br 62a_100010185546_200025704644 [0,2,0,0,0,0|2,0,0]=4 6727 B13R1.29 [13CH3]SCC(F)(F)c1ccc(cc1)Br 62a_200025704644_100010185546 [0,2,0,0,0,0|2,0,0]=4 6728 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000748629 [0,2,0,0,0,0|2,0,0]=4 6729 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000748629 [0,2,0,0,0,0|2,0,0]=4 6730 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Br 34a_100000219623_100000748629 [0,2,0,0,0,0|2,0,0]=4 6731 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 2230a_100000219977_100000748629 [0,2,0,0,0,0|2,0,0]=4 6732 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 269982a_100000219977_100000748629 [0,2,0,0,0,0|2,0,0]=4 6733 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 34a_100000219977_100000748629 [0,2,0,0,0,0|2,0,0]=4 6734 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000748629 [0,2,0,0,0,0|2,0,0]=4 6735 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000748629 [0,2,0,0,0,0|2,0,0]=4 6736 B13R1.132 C=C(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000748629 [0,2,0,0,0,0|2,0,0]=4 6737 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 2230a_100000219829_100000748629 [0,2,0,0,0,0|2,0,0]=4 6738 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 269982a_100000219829_100000748629 [0,2,0,0,0,0|2,0,0]=4 6739 B13R1.132 C=C(C)CN(C)c1ccc(cc1)F 34a_100000219829_100000748629 [0,2,0,0,0,0|2,0,0]=4 6740 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 2230a_100000743151_100000748629 [0,2,0,0,0,0|2,0,0]=4 6741 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 269982a_100000743151_100000748629 [0,2,0,0,0,0|2,0,0]=4 6742 B13R1.132 C=C(C)CN(C)c1ccc(cc1)I 34a_100000743151_100000748629 [0,2,0,0,0,0|2,0,0]=4 6743 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000748629 [0,2,0,0,0,0|2,0,0]=4 6744 B13R1.132 C=C(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000748629 [0,2,0,0,0,0|2,0,0]=4 6745 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,2,0,0,0,0|1,0,0]=3 6746 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,2,0,0,0,0|2,0,0]=4 6747 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,2,0,0,0,0|2,0,0]=4 6748 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,2,0,0,0,0|2,0,0]=4 6749 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [0,2,0,0,0,0|2,0,0]=4 6750 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [0,2,0,0,0,0|2,0,0]=4 6752 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [0,2,0,0,0,0|2,0,0]=4 6753 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [0,2,0,0,0,0|2,0,0]=4 6754 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [0,2,0,0,0,0|2,0,0]=4 6756 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [0,2,0,0,0,0|2,0,0]=4 6757 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,2,0,0,0,0|2,0,0]=4 6758 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [0,2,0,0,0,0|2,0,0]=4 6759 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [0,2,0,0,0,0|2,0,0]=4 6760 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [0,2,0,0,0,0|2,0,0]=4 6761 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [0,2,0,0,0,0|2,0,0]=4 6762 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [0,2,0,0,0,0|2,0,0]=4 6763 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [0,2,0,0,0,0|2,0,0]=4 6764 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [0,2,0,0,0,0|2,0,0]=4 6765 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [0,2,0,0,0,0|2,0,0]=4 6766 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [0,2,0,0,0,0|2,0,0]=4 6767 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [0,2,0,0,0,0|2,0,0]=4 6768 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [0,2,0,0,0,0|2,0,0]=4 6769 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [0,2,0,0,0,0|2,0,0]=4 6770 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000210760 [0,2,0,0,0,0|2,0,0]=4 6771 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 2230a_200011231703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6772 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000210624 [0,2,0,0,0,0|2,0,0]=4 6773 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 269982a_200011231703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6774 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 34a_100000219623_100000210624 [0,2,0,0,0,0|2,0,0]=4 6775 B13R1.132 CC(C)CN(C)c1ccc(cc1)Br 34a_200011231703_200000210301 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210760 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210624 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.132 CC(C)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000210624 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 2230a_100000219829_100000210760 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 2230a_100000713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 6781 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 269982a_100000219829_100000210624 [0,2,0,0,0,0|2,0,0]=4 6782 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 269982a_100000713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 6783 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 34a_100000219829_100000210624 [0,2,0,0,0,0|2,0,0]=4 6784 B13R1.132 CC(C)CN(C)c1ccc(cc1)F 34a_100000713154_200000210301 [0,2,0,0,0,0|2,0,0]=4 6785 B13R1.132 CC(C)CN(C)c1ccc(cc1)I 2230a_100000743151_100000210760 [0,2,0,0,0,0|2,0,0]=4 6786 B13R1.132 CC(C)CN(C)c1ccc(cc1)I 269982a_100000743151_100000210624 [0,2,0,0,0,0|2,0,0]=4 6787 B13R1.132 CC(C)CN(C)c1ccc(cc1)I 34a_100000743151_100000210624 [0,2,0,0,0,0|2,0,0]=4 6788 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 269982a_100000182112_100000210624 [0,2,0,0,0,0|2,0,0]=4 6789 B13R1.132 CC(C)CN(C)c1ccc(cc1)O 34a_100000182112_100000210624 [0,2,0,0,0,0|2,0,0]=4 6790 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)Br 2230a_200011231703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6791 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)Br 269982a_200011231703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6792 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)Br 34a_200011231703_200025704644 [0,2,0,0,0,0|2,0,0]=4 6793 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)F 2230a_100000713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 6794 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)F 269982a_100000713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 6795 B13R1.132 CC(C)CN([13CH3])c1ccc(cc1)F 34a_100000713154_200025704644 [0,2,0,0,0,0|2,0,0]=4 6796 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Br 271570a_100015190218_100000752885 [0,2,0,0,0,0|2,0,0]=4 6797 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [0,2,0,0,0,0|2,0,0]=4 6798 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)F 271570a_100015190218_100000211213 [0,2,0,0,0,0|2,0,0]=4 6799 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)N 271570a_100015190218_100000185761 [0,2,0,0,0,0|2,0,0]=4 6800 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [0,2,0,0,0,0|2,0,0]=4 6801 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 2230a_100138425928_100000755118 [0,2,0,0,0,0|2,0,0]=4 6802 B13R1.132 CC(C)NC(C)c1ccc(cc1)Br 34a_100138425928_100000755118 [0,2,0,0,0,0|2,0,0]=4 6803 B13R1.132 CC(C)NC(C)c1ccc(cc1)Cl 2230a_100138425928_100000684792 [0,2,0,0,0,0|2,0,0]=4 6804 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 2230a_100138425928_100000743420 [0,2,0,0,0,0|2,0,0]=4 6805 B13R1.132 CC(C)NC(C)c1ccc(cc1)F 34a_100138425928_100000743420 [0,2,0,0,0,0|2,0,0]=4 6806 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210206 [0,2,0,0,0,0|2,0,0]=4 6807 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210206 [0,2,0,0,0,0|2,0,0]=4 6808 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210206 [0,2,0,0,0,0|2,0,0]=4 6809 B13R1.132 CC(C)N[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210206 [0,2,0,0,0,0|2,0,0]=4 6810 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210206 [0,2,0,0,0,0|2,0,0]=4 6811 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210206 [0,2,0,0,0,0|2,0,0]=4 6812 B13R1.132 CC(C)N[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210206 [0,2,0,0,0,0|2,0,0]=4 6813 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000212225_100000755118 [0,2,0,0,0,0|2,0,0]=4 6814 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100000210206 [0,2,0,0,0,0|2,0,0]=4 6815 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000210206 [0,2,0,0,0,0|2,0,0]=4 6816 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100000210206 [0,2,0,0,0,0|2,0,0]=4 6817 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000212225_100000743420 [0,2,0,0,0,0|2,0,0]=4 6818 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000210206 [0,2,0,0,0,0|2,0,0]=4 6819 B13R1.132 CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100000210206 [0,2,0,0,0,0|2,0,0]=4 6820 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210206 [0,2,0,0,0,0|2,0,0]=4 6821 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210206 [0,2,0,0,0,0|2,0,0]=4 6822 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000210206_100000755118 [0,2,0,0,0,0|2,0,0]=4 6823 B13R1.132 CC(C)SC(C)c1ccc(cc1)Br 62a_100000755118_100000210206 [0,2,0,0,0,0|2,0,0]=4 6824 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000210206_100000684792 [0,2,0,0,0,0|2,0,0]=4 6825 B13R1.132 CC(C)SC(C)c1ccc(cc1)Cl 62a_100000684792_100000210206 [0,2,0,0,0,0|2,0,0]=4 6826 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000210206_100000743420 [0,2,0,0,0,0|2,0,0]=4 6827 B13R1.132 CC(C)SC(C)c1ccc(cc1)F 62a_100000743420_100000210206 [0,2,0,0,0,0|2,0,0]=4 6828 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100011218427 [0,2,0,0,0,0|2,0,0]=4 6829 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100011218427 [0,2,0,0,0,0|2,0,0]=4 6830 B13R1.132 CC(O)CN(C)c1ccc(cc1)Br 34a_100000219623_100011218427 [0,2,0,0,0,0|2,0,0]=4 6831 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100011218427 [0,2,0,0,0,0|2,0,0]=4 6832 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100011218427 [0,2,0,0,0,0|2,0,0]=4 6833 B13R1.132 CC(O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011218427 [0,2,0,0,0,0|2,0,0]=4 6834 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 2230a_100000219829_100011218427 [0,2,0,0,0,0|2,0,0]=4 6835 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 269982a_100000219829_100011218427 [0,2,0,0,0,0|2,0,0]=4 6836 B13R1.132 CC(O)CN(C)c1ccc(cc1)F 34a_100000219829_100011218427 [0,2,0,0,0,0|2,0,0]=4 6837 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 2230a_100000743151_100011218427 [0,2,0,0,0,0|2,0,0]=4 6838 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 269982a_100000743151_100011218427 [0,2,0,0,0,0|2,0,0]=4 6839 B13R1.132 CC(O)CN(C)c1ccc(cc1)I 34a_100000743151_100011218427 [0,2,0,0,0,0|2,0,0]=4 6840 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011218427 [0,2,0,0,0,0|2,0,0]=4 6841 B13R1.132 CC(O)CN(C)c1ccc(cc1)O 34a_100000182112_100011218427 [0,2,0,0,0,0|2,0,0]=4 6842 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Br 269982a_100102631434_100000188085 [0,2,0,0,0,0|1,0,1]=4 6843 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Cl 269982a_100102631434_100000211071 [0,2,0,0,0,0|1,0,1]=4 6844 B13R1.132 CN(C)CC(=O)c1ccc(cc1)F 269982a_100102631434_100000211279 [0,2,0,0,0,0|1,0,1]=4 6845 B13R1.132 CN(C)CC(=O)c1ccc(cc1)I 269982a_100102631434_100011216261 [0,2,0,0,0,0|1,0,1]=4 6846 B13R1.132 CN(C)CC(=O)c1ccc(cc1)O 269982a_100102631434_100009814261 [0,2,0,0,0,0|1,0,1]=4 6847 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [0,2,0,0,0,0|1,0,0]=3 6848 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [0,2,0,0,0,0|1,0,0]=3 6849 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [0,2,0,0,0,0|1,0,0]=3 6850 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [0,2,0,0,0,0|1,0,0]=3 6851 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [0,2,0,0,0,0|1,0,0]=3 6852 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [0,2,0,0,0,0|1,0,0]=3 6853 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100009817552 [0,2,0,0,0,0|2,0,0]=4 6854 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100009817552 [0,2,0,0,0,0|2,0,0]=4 6855 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Br 34a_100000219623_100009817552 [0,2,0,0,0,0|2,0,0]=4 6856 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100009817552 [0,2,0,0,0,0|2,0,0]=4 6857 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100009817552 [0,2,0,0,0,0|2,0,0]=4 6858 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100009817552 [0,2,0,0,0,0|2,0,0]=4 6859 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 2230a_100000219829_100009817552 [0,2,0,0,0,0|2,0,0]=4 6860 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 269982a_100000219829_100009817552 [0,2,0,0,0,0|2,0,0]=4 6861 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)F 34a_100000219829_100009817552 [0,2,0,0,0,0|2,0,0]=4 6862 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 2230a_100000743151_100009817552 [0,2,0,0,0,0|2,0,0]=4 6863 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 269982a_100000743151_100009817552 [0,2,0,0,0,0|2,0,0]=4 6864 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)I 34a_100000743151_100009817552 [0,2,0,0,0,0|2,0,0]=4 6865 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 269982a_100000182112_100009817552 [0,2,0,0,0,0|2,0,0]=4 6866 B13R1.132 C[C@@H](O)CN(C)c1ccc(cc1)O 34a_100000182112_100009817552 [0,2,0,0,0,0|2,0,0]=4 6867 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100000211441 [0,2,0,0,0,0|1,0,1]=4 6868 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100000211441 [0,2,0,0,0,0|1,0,1]=4 6869 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,2,0,0,0,0|1,0,0]=3 6870 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 2230a_100138425928_100011261388 [0,2,0,0,0,0|2,0,0]=4 6871 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 34a_100138425928_100011261388 [0,2,0,0,0,0|2,0,0]=4 6872 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C 34a_100000212225_100011261388 [0,2,0,0,0,0|2,0,0]=4 6873 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100000210206_100011261388 [0,2,0,0,0,0|2,0,0]=4 6874 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100011261388_100000210206 [0,2,0,0,0,0|2,0,0]=4 6875 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 2230a_100000219977_100000210760 [0,2,0,0,0,0|2,0,0]=4 6876 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 2230a_100015205861_200000210301 [0,2,0,0,0,0|2,0,0]=4 6877 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 269982a_100000219977_100000210624 [0,2,0,0,0,0|2,0,0]=4 6878 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 269982a_100015205861_200000210301 [0,2,0,0,0,0|2,0,0]=4 6879 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 34a_100000219977_100000210624 [0,2,0,0,0,0|2,0,0]=4 6880 B13R1.132 Cc1ccc(cc1)N(C)CC(C)C 34a_100015205861_200000210301 [0,2,0,0,0,0|2,0,0]=4 6881 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 2230a_100000219977_100011218427 [0,2,0,0,0,0|2,0,0]=4 6882 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 269982a_100000219977_100011218427 [0,2,0,0,0,0|2,0,0]=4 6883 B13R1.132 Cc1ccc(cc1)N(C)CC(C)O 34a_100000219977_100011218427 [0,2,0,0,0,0|2,0,0]=4 6884 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 2230a_100000219977_100009817552 [0,2,0,0,0,0|2,0,0]=4 6885 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 269982a_100000219977_100009817552 [0,2,0,0,0,0|2,0,0]=4 6886 B13R1.132 Cc1ccc(cc1)N(C)C[C@@H](C)O 34a_100000219977_100009817552 [0,2,0,0,0,0|2,0,0]=4 6887 B13R1.132 Cc1ccc(cc1)N([13CH3])CC(C)C 2230a_100015205861_200025704644 [0,2,0,0,0,0|2,0,0]=4 6888 B13R1.132 Cc1ccc(cc1)N([13CH3])CC(C)C 269982a_100015205861_200025704644 [0,2,0,0,0,0|2,0,0]=4 6889 B13R1.132 Cc1ccc(cc1)N([13CH3])CC(C)C 34a_100015205861_200025704644 [0,2,0,0,0,0|2,0,0]=4 6890 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100016988085_100000210206 [0,2,0,0,0,0|2,0,0]=4 6891 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 34a_100016988085_100000210206 [0,2,0,0,0,0|2,0,0]=4 6892 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 34a_100000690690_100000210206 [0,2,0,0,0,0|2,0,0]=4 6893 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 7a_100000690690_100000210206 [0,2,0,0,0,0|2,0,0]=4 6894 B13R1.132 Cc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000186775 [0,2,0,0,0,0|2,0,0]=4 6895 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 2230a_200012023546_100000210202 [0,2,0,0,0,0|2,0,0]=4 6896 B13R1.452 C=Cc1ccc(cc1)C(C)NCC 34a_200012023546_100000210202 [0,2,0,0,0,0|2,0,0]=4 6897 B13R1.452 C=Cc1ccc(cc1)C(O)CCC 271570a_100011290941_100011350873 [0,2,0,0,0,0|2,0,0]=4 6898 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_100011350873_200000210301 [0,2,0,0,0,0|2,0,0]=4 6899 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_200000210301_100011350873 [0,2,0,0,0,0|2,0,0]=4 6900 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_100011350873_200025704644 [0,2,0,0,0,0|2,0,0]=4 6901 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011350873 [0,2,0,0,0,0|2,0,0]=4 6902 B13R1.452 CCCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000210303 [0,2,0,0,0,0|2,0,0]=4 6903 B13R1.452 CCCN(C)c1ccc(cc1)C#N 269982a_200000237418_200000210301 [0,2,0,0,0,0|2,0,0]=4 6904 B13R1.452 CCCN(C)c1ccc(cc1)C#N 34a_100000739737_100000210303 [0,2,0,0,0,0|2,0,0]=4 6905 B13R1.452 CCCN(C)c1ccc(cc1)C#N 34a_200000237418_200000210301 [0,2,0,0,0,0|2,0,0]=4 6906 B13R1.452 CCCN(C)c1ccc(cc1)C#N 7a_200000237418_200000210301 [0,2,0,0,0,0|2,0,0]=4 6907 B13R1.452 CCCN(C)c1ccc(cc1)CC 2230a_100011231861_200000210301 [0,2,0,0,0,0|2,0,0]=4 6908 B13R1.452 CCCN(C)c1ccc(cc1)CC 269982a_100011231861_200000210301 [0,2,0,0,0,0|2,0,0]=4 6909 B13R1.452 CCCN(C)c1ccc(cc1)CC 34a_100011231861_200000210301 [0,2,0,0,0,0|2,0,0]=4 6910 B13R1.452 CCCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 6911 B13R1.452 CCCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 6912 B13R1.452 CCCN(C)c1ccc(cc1)OC 34a_100000220023_100000210303 [0,2,0,0,0,0|2,0,0]=4 6913 B13R1.452 CCCN([13CH3])c1ccc(cc1)C#N 269982a_200000237418_200025704644 [0,2,0,0,0,0|2,0,0]=4 6914 B13R1.452 CCCN([13CH3])c1ccc(cc1)C#N 34a_200000237418_200025704644 [0,2,0,0,0,0|2,0,0]=4 6915 B13R1.452 CCCN([13CH3])c1ccc(cc1)C#N 7a_200000237418_200025704644 [0,2,0,0,0,0|2,0,0]=4 6916 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 2230a_100011231861_200025704644 [0,2,0,0,0,0|2,0,0]=4 6917 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 269982a_100011231861_200025704644 [0,2,0,0,0,0|2,0,0]=4 6918 B13R1.452 CCCN([13CH3])c1ccc(cc1)CC 34a_100011231861_200025704644 [0,2,0,0,0,0|2,0,0]=4 6919 B13R1.452 CCNC(C)c1ccc(cc1)C#N 269862a_100015525214_100000182420 [0,2,0,0,0,0|2,0,0]=4 6920 B13R1.452 CCNC(C)c1ccc(cc1)CC 2230a_100015186439_100000210202 [0,2,0,0,0,0|2,0,0]=4 6921 B13R1.452 CCNC(C)c1ccc(cc1)CC 269862a_100015525214_100000211630 [0,2,0,0,0,0|2,0,0]=4 6922 B13R1.452 CCNC(C)c1ccc(cc1)CC 34a_100015186439_100000210202 [0,2,0,0,0,0|2,0,0]=4 6923 B13R1.452 CCNC(C)c1ccc(cc1)CO 269862a_100015525214_100000082505 [0,2,0,0,0,0|2,0,0]=4 6924 B13R1.452 CCNC(C)c1ccc(cc1)NC 269862a_100015525214_100011806243 [0,2,0,0,0,0|2,0,0]=4 6925 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,2,0,0,0,0|2,0,0]=4 6926 B13R1.452 CCNC(C)c1ccc(cc1)SC 2230a_100000738722_100000210202 [0,2,0,0,0,0|2,0,0]=4 6927 B13R1.452 CCNC(C)c1ccc(cc1)SC 269862a_100015525214_100000185071 [0,2,0,0,0,0|2,0,0]=4 6928 B13R1.452 CCN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_100000210202 [0,2,0,0,0,0|2,0,0]=4 6929 B13R1.452 CCN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_100000210202 [0,2,0,0,0,0|2,0,0]=4 6930 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,2,0,0,0,0|2,0,0]=4 6931 B13R1.452 CCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210202 [0,2,0,0,0,0|2,0,0]=4 6932 B13R1.452 CCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210202 [0,2,0,0,0,0|2,0,0]=4 6933 B13R1.452 CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210202 [0,2,0,0,0,0|2,0,0]=4 6934 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|2,0,0]=4 6935 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|2,0,0]=4 6936 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210202 [0,2,0,0,0,0|2,0,0]=4 6937 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210202 [0,2,0,0,0,0|2,0,0]=4 6938 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,2,0,0,0,0|1,0,1]=4 6939 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,2,0,0,0,0|1,0,1]=4 6940 B13R1.452 CNCC(=O)c1ccc(cc1)C#N 2230a_106832991635_100000212069 [0,2,0,0,0,0|1,0,1]=4 6941 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,2,0,0,0,0|1,0,1]=4 6942 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,2,0,0,0,0|1,0,1]=4 6943 B13R1.452 CNCC(=O)c1ccc(cc1)SC 2230a_106832991635_100011216809 [0,2,0,0,0,0|1,0,1]=4 6944 B13R1.452 CNCC(=O)c1ccc(cc1)SC 34a_100102657272_100011216809 [0,2,0,0,0,0|1,0,1]=4 6945 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,2,0,0,0,0|1,0,0]=3 6946 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|1,0,0]=3 6947 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,2,0,0,0,0|1,0,0]=3 6948 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,2,0,0,0,0|1,0,0]=3 6949 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|2,0,0]=4 6950 B13R1.452 COCN(C)c1ccc(cc1)C#N 269982a_100000739737_100000766300 [0,2,0,0,0,0|2,0,0]=4 6951 B13R1.452 COCN(C)c1ccc(cc1)OC 2230a_100000220023_100000766300 [0,2,0,0,0,0|2,0,0]=4 6952 B13R1.452 COCN(C)c1ccc(cc1)OC 269982a_100000220023_100000766300 [0,2,0,0,0,0|2,0,0]=4 6953 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|2,0,0]=4 6954 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,2,0,0,0,0|1,0,0]=3 6955 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|1,0,0]=3 6956 B13R1.452 COc1ccc(cc1)N(C)CSC 2230a_100000220023_100011218213 [0,2,0,0,0,0|2,0,0]=4 6957 B13R1.452 COc1ccc(cc1)N(C)CSC 269982a_100000220023_100011218213 [0,2,0,0,0,0|2,0,0]=4 6958 B13R1.452 COc1ccc(cc1)N(C)CSC 34a_100000220023_100011218213 [0,2,0,0,0,0|2,0,0]=4 6959 B13R1.452 CSCN(C)c1ccc(cc1)C#N 269982a_100000739737_100011218213 [0,2,0,0,0,0|2,0,0]=4 6960 B13R1.452 CSCN(C)c1ccc(cc1)C#N 34a_100000739737_100011218213 [0,2,0,0,0,0|2,0,0]=4 6961 B13R1.466 CCCN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100000210303 [0,2,0,0,0,0|2,0,0]=4 6962 B13R1.466 CCCN(C)c1ccc(c(c1)Br)C 269982a_100000707694_100000210303 [0,2,0,0,0,0|2,0,0]=4 6963 B13R1.466 CCCN(C)c1ccc(c(c1)Br)C 34a_100000707694_100000210303 [0,2,0,0,0,0|2,0,0]=4 6964 B13R1.466 CCCN(C)c1ccc(c(c1)Br)C 38a_100000707694_100000210303 [0,2,0,0,0,0|2,0,0]=4 6965 B13R1.466 CCCN(C)c1ccc(c(c1)C)Br 2230a_100102888905_100000210303 [0,2,0,0,0,0|2,0,0]=4 6966 B13R1.466 CCCN(C)c1ccc(c(c1)C)Br 269982a_100102888905_100000210303 [0,2,0,0,0,0|2,0,0]=4 6967 B13R1.466 CCCN(C)c1ccc(c(c1)C)Br 34a_100102888905_100000210303 [0,2,0,0,0,0|2,0,0]=4 6968 B13R1.466 CCCN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100000210303 [0,2,0,0,0,0|2,0,0]=4 6969 B13R1.466 CCCN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100000210303 [0,2,0,0,0,0|2,0,0]=4 6970 B13R1.466 CCCN(C)c1ccc(c(c1)C)Cl 34a_114849113799_100000210303 [0,2,0,0,0,0|2,0,0]=4 6971 B13R1.466 CCCN(C)c1ccc(c(c1)C)F 2230a_100011756966_100000210303 [0,2,0,0,0,0|2,0,0]=4 6972 B13R1.466 CCCN(C)c1ccc(c(c1)C)F 269982a_100011756966_100000210303 [0,2,0,0,0,0|2,0,0]=4 6973 B13R1.466 CCCN(C)c1ccc(c(c1)C)F 34a_100011756966_100000210303 [0,2,0,0,0,0|2,0,0]=4 6974 B13R1.466 CCCN(C)c1ccc(c(c1)C)F 38a_100011756966_100000210303 [0,2,0,0,0,0|2,0,0]=4 6975 B13R1.466 CCCN(C)c1ccc(c(c1)C)F 7a_100011756966_100000210303 [0,2,0,0,0,0|2,0,0]=4 6976 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100000210303 [0,2,0,0,0,0|2,0,0]=4 6977 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)C 269982a_100000220120_100000210303 [0,2,0,0,0,0|2,0,0]=4 6978 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)C 34a_100000220120_100000210303 [0,2,0,0,0,0|2,0,0]=4 6979 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)C 38a_100000220120_100000210303 [0,2,0,0,0,0|2,0,0]=4 6980 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000210303 [0,2,0,0,0,0|2,0,0]=4 6981 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 2230a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 6982 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000210303 [0,2,0,0,0,0|2,0,0]=4 6983 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 269982a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 6984 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_100000210303 [0,2,0,0,0,0|2,0,0]=4 6985 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 34a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 6986 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)Cl 7a_100102698826_200000210301 [0,2,0,0,0,0|2,0,0]=4 6987 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_100000210303 [0,2,0,0,0,0|2,0,0]=4 6988 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_100000210303 [0,2,0,0,0,0|2,0,0]=4 6989 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)F 34a_100000697440_100000210303 [0,2,0,0,0,0|2,0,0]=4 6990 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)F 38a_100000697440_100000210303 [0,2,0,0,0,0|2,0,0]=4 6991 B13R1.466 CCCN(C)c1ccc(c(c1)Cl)F 7a_100000697440_100000210303 [0,2,0,0,0,0|2,0,0]=4 6992 B13R1.466 CCCN(C)c1ccc(c(c1)F)Br 2230a_100012285320_100000210303 [0,2,0,0,0,0|2,0,0]=4 6993 B13R1.466 CCCN(C)c1ccc(c(c1)F)Br 269982a_100012285320_100000210303 [0,2,0,0,0,0|2,0,0]=4 6994 B13R1.466 CCCN(C)c1ccc(c(c1)F)Br 34a_100012285320_100000210303 [0,2,0,0,0,0|2,0,0]=4 6995 B13R1.466 CCCN(C)c1ccc(c(c1)F)Br 7a_100012285320_100000210303 [0,2,0,0,0,0|2,0,0]=4 6996 B13R1.466 CCCN(C)c1ccc(c(c1)F)C 2230a_100160572069_100000210303 [0,2,0,0,0,0|2,0,0]=4 6997 B13R1.466 CCCN(C)c1ccc(c(c1)F)C 269982a_100160572069_100000210303 [0,2,0,0,0,0|2,0,0]=4 6998 B13R1.466 CCCN(C)c1ccc(c(c1)F)C 34a_100160572069_100000210303 [0,2,0,0,0,0|2,0,0]=4 6999 B13R1.466 CCCN(C)c1ccc(c(c1)F)C 38a_100160572069_100000210303 [0,2,0,0,0,0|2,0,0]=4 7000 B13R1.466 CCCN(C)c1ccc(c(c1)F)C 7a_100160572069_100000210303 [0,2,0,0,0,0|2,0,0]=4 7001 B13R1.466 CCCN(C)c1ccc(c(c1)F)F 2230a_100000221014_100000210303 [0,2,0,0,0,0|2,0,0]=4 7002 B13R1.466 CCCN(C)c1ccc(c(c1)F)F 269982a_100000221014_100000210303 [0,2,0,0,0,0|2,0,0]=4 7003 B13R1.466 CCCN(C)c1ccc(c(c1)F)F 34a_100000221014_100000210303 [0,2,0,0,0,0|2,0,0]=4 7004 B13R1.466 CCCN(C)c1ccc(c(c1)F)F 38a_100000221014_100000210303 [0,2,0,0,0,0|2,0,0]=4 7005 B13R1.466 CCCN(C)c1ccc(c(c1)F)F 7a_100000221014_100000210303 [0,2,0,0,0,0|2,0,0]=4 7006 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 2230a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 7007 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 269982a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 7008 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 34a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 7009 B13R1.466 CCCN([13CH3])c1ccc(c(c1)Cl)Cl 7a_100102698826_200025704644 [0,2,0,0,0,0|2,0,0]=4 7010 B13R1.466 CCNC(C)c1ccc(c(c1)Br)Br 269862a_100015525214_100009814466 [0,2,0,0,0,0|2,0,0]=4 7011 B13R1.466 CCNC(C)c1ccc(c(c1)Br)C 269862a_100015525214_100011934287 [0,2,0,0,0,0|2,0,0]=4 7012 B13R1.466 CCNC(C)c1ccc(c(c1)Br)Cl 269862a_100015525214_100012356427 [0,2,0,0,0,0|2,0,0]=4 7013 B13R1.466 CCNC(C)c1ccc(c(c1)Br)F 269862a_100015525214_100000239719 [0,2,0,0,0,0|2,0,0]=4 7014 B13R1.466 CCNC(C)c1ccc(c(c1)Br)I 269862a_100015525214_100010146554 [0,2,0,0,0,0|2,0,0]=4 7015 B13R1.466 CCNC(C)c1ccc(c(c1)Br)O 269862a_100015525214_100011772453 [0,2,0,0,0,0|2,0,0]=4 7016 B13R1.466 CCNC(C)c1ccc(c(c1)C)Br 269862a_100015525214_100000697869 [0,2,0,0,0,0|2,0,0]=4 7017 B13R1.466 CCNC(C)c1ccc(c(c1)C)C 269862a_100015525214_100000210971 [0,2,0,0,0,0|2,0,0]=4 7018 B13R1.466 CCNC(C)c1ccc(c(c1)C)Cl 269862a_100015525214_100011216000 [0,2,0,0,0,0|2,0,0]=4 7019 B13R1.466 CCNC(C)c1ccc(c(c1)C)F 2230a_100000705826_100000210202 [0,2,0,0,0,0|2,0,0]=4 7020 B13R1.466 CCNC(C)c1ccc(c(c1)C)F 269862a_100015525214_100000754758 [0,2,0,0,0,0|2,0,0]=4 7021 B13R1.466 CCNC(C)c1ccc(c(c1)C)F 34a_100000705826_100000210202 [0,2,0,0,0,0|2,0,0]=4 7022 B13R1.466 CCNC(C)c1ccc(c(c1)C)O 269862a_100015525214_100000188726 [0,2,0,0,0,0|2,0,0]=4 7023 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)Br 269862a_100015525214_100012353846 [0,2,0,0,0,0|2,0,0]=4 7024 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_100000210202 [0,2,0,0,0,0|2,0,0]=4 7025 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)C 269862a_100015525214_100012002458 [0,2,0,0,0,0|2,0,0]=4 7026 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_100000210202 [0,2,0,0,0,0|2,0,0]=4 7027 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_100000210202 [0,2,0,0,0,0|2,0,0]=4 7028 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)Cl 269862a_100015525214_100000210641 [0,2,0,0,0,0|2,0,0]=4 7029 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_100000210202 [0,2,0,0,0,0|2,0,0]=4 7030 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)F 269862a_100015525214_100000737303 [0,2,0,0,0,0|2,0,0]=4 7031 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)O 269862a_100015525214_100000188625 [0,2,0,0,0,0|2,0,0]=4 7032 B13R1.466 CCNC(C)c1ccc(c(c1)F)Br 269862a_100015525214_100000690002 [0,2,0,0,0,0|2,0,0]=4 7033 B13R1.466 CCNC(C)c1ccc(c(c1)F)C 269862a_100015525214_100000767010 [0,2,0,0,0,0|2,0,0]=4 7034 B13R1.466 CCNC(C)c1ccc(c(c1)F)Cl 269862a_100015525214_100000693814 [0,2,0,0,0,0|2,0,0]=4 7035 B13R1.466 CCNC(C)c1ccc(c(c1)F)F 2230a_100000756309_100000210202 [0,2,0,0,0,0|2,0,0]=4 7036 B13R1.466 CCNC(C)c1ccc(c(c1)F)F 269862a_100015525214_100000184692 [0,2,0,0,0,0|2,0,0]=4 7037 B13R1.466 CCNC(C)c1ccc(c(c1)F)F 34a_100000756309_100000210202 [0,2,0,0,0,0|2,0,0]=4 7038 B13R1.466 CCNC(C)c1ccc(c(c1)F)O 269862a_100015525214_100000751691 [0,2,0,0,0,0|2,0,0]=4 7039 B13R1.466 CCNC(C)c1ccc(c(c1)I)Br 269862a_100015525214_100010146556 [0,2,0,0,0,0|2,0,0]=4 7040 B13R1.466 CCNC(C)c1ccc(c(c1)O)C 269862a_100015525214_100000084092 [0,2,0,0,0,0|2,0,0]=4 7041 B13R1.466 CCNC(C)c1ccc(c(c1)O)F 269862a_100015525214_100000117923 [0,2,0,0,0,0|2,0,0]=4 7042 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_100000210202 [0,2,0,0,0,0|2,0,0]=4 7043 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_100000210202 [0,2,0,0,0,0|2,0,0]=4 7044 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_100000210202 [0,2,0,0,0,0|2,0,0]=4 7045 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_100000210202 [0,2,0,0,0,0|2,0,0]=4 7046 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_100000210202 [0,2,0,0,0,0|2,0,0]=4 7047 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_100000210202 [0,2,0,0,0,0|2,0,0]=4 7048 B13R1.466 CCN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_100000210202 [0,2,0,0,0,0|2,0,0]=4 7049 B13R1.466 CCN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_100000210202 [0,2,0,0,0,0|2,0,0]=4 7050 B13R1.466 CCN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_100000210202 [0,2,0,0,0,0|2,0,0]=4 7051 B13R1.466 CCN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_100000210202 [0,2,0,0,0,0|2,0,0]=4 7052 B13R1.466 CCN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_100000210202 [0,2,0,0,0,0|2,0,0]=4 7053 B13R1.466 CCN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_100000210202 [0,2,0,0,0,0|2,0,0]=4 7054 B13R1.466 CCOC(C)c1ccc(c(c1)Br)F 34a_100011191524_100000210202 [0,2,0,0,0,0|2,0,0]=4 7055 B13R1.466 CCOC(C)c1ccc(c(c1)Br)F 7a_100011191524_100000210202 [0,2,0,0,0,0|2,0,0]=4 7056 B13R1.466 CCOC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_100000210202 [0,2,0,0,0,0|2,0,0]=4 7057 B13R1.466 CCOC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_100000210202 [0,2,0,0,0,0|2,0,0]=4 7058 B13R1.466 CCOC(C)c1ccc(c(c1)F)Cl 34a_100011944057_100000210202 [0,2,0,0,0,0|2,0,0]=4 7059 B13R1.466 CCOC(C)c1ccc(c(c1)F)Cl 7a_100011944057_100000210202 [0,2,0,0,0,0|2,0,0]=4 7060 B13R1.466 CCOC(C)c1ccc(c(c1)F)F 34a_100000246517_100000210202 [0,2,0,0,0,0|2,0,0]=4 7061 B13R1.466 CCOC(C)c1ccc(c(c1)F)F 7a_100000246517_100000210202 [0,2,0,0,0,0|2,0,0]=4 7062 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 2230a_106832991635_100012346676 [0,2,0,0,0,0|1,0,1]=4 7063 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 34a_100102657272_100012346676 [0,2,0,0,0,0|1,0,1]=4 7064 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 7a_106832991635_100012346676 [0,2,0,0,0,0|1,0,1]=4 7065 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 2230a_106832991635_100011217175 [0,2,0,0,0,0|1,0,1]=4 7066 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 34a_100102657272_100011217175 [0,2,0,0,0,0|1,0,1]=4 7067 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 7a_106832991635_100011217175 [0,2,0,0,0,0|1,0,1]=4 7068 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [0,2,0,0,0,0|1,0,1]=4 7069 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [0,2,0,0,0,0|1,0,1]=4 7070 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [0,2,0,0,0,0|1,0,1]=4 7071 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 2230a_106832991635_200012349649 [0,2,0,0,0,0|1,0,1]=4 7072 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 34a_100102657272_200012349649 [0,2,0,0,0,0|1,0,1]=4 7073 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_106832991635_100000211430 [0,2,0,0,0,0|1,0,1]=4 7074 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991635_100000211430 [0,2,0,0,0,0|1,0,1]=4 7075 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 2230a_106832991635_100000757878 [0,2,0,0,0,0|1,0,1]=4 7076 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 34a_100102657272_100000757878 [0,2,0,0,0,0|1,0,1]=4 7077 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 7a_106832991635_100000757878 [0,2,0,0,0,0|1,0,1]=4 7078 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [0,2,0,0,0,0|1,0,1]=4 7079 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 2230a_106832991635_100012361357 [0,2,0,0,0,0|1,0,1]=4 7080 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 34a_100102657272_100012361357 [0,2,0,0,0,0|1,0,1]=4 7081 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 7a_106832991635_100012361357 [0,2,0,0,0,0|1,0,1]=4 7082 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 2230a_106832991635_100011219196 [0,2,0,0,0,0|1,0,1]=4 7083 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 34a_100102657272_100011219196 [0,2,0,0,0,0|1,0,1]=4 7084 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 7a_106832991635_100011219196 [0,2,0,0,0,0|1,0,1]=4 7085 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 2230a_106832991635_100012351892 [0,2,0,0,0,0|1,0,1]=4 7086 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 34a_100102657272_100012351892 [0,2,0,0,0,0|1,0,1]=4 7087 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 7a_106832991635_100012351892 [0,2,0,0,0,0|1,0,1]=4 7088 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 2230a_106832991635_100000183380 [0,2,0,0,0,0|1,0,1]=4 7089 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 34a_100102657272_100000183380 [0,2,0,0,0,0|1,0,1]=4 7090 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 7a_106832991635_100000183380 [0,2,0,0,0,0|1,0,1]=4 7091 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,2,0,0,0,0|1,0,1]=4 7092 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [0,2,0,0,0,0|1,0,0]=3 7093 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_106832991635_100000761251 [0,2,0,0,0,0|1,0,0]=3 7094 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100102657272_100000761251 [0,2,0,0,0,0|1,0,0]=3 7095 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991635_100000761251 [0,2,0,0,0,0|1,0,0]=3 7096 B13R1.466 COCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200000210301 [0,2,0,0,0,0|2,0,0]=4 7097 B13R1.466 COCN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100000766300 [0,2,0,0,0,0|2,0,0]=4 7098 B13R1.466 COCN(C)c1ccc(c(c1)Br)C 269982a_100000707694_100000766300 [0,2,0,0,0,0|2,0,0]=4 7099 B13R1.466 COCN(C)c1ccc(c(c1)C)Br 2230a_100102888905_100000766300 [0,2,0,0,0,0|2,0,0]=4 7100 B13R1.466 COCN(C)c1ccc(c(c1)C)Br 269982a_100102888905_100000766300 [0,2,0,0,0,0|2,0,0]=4 7101 B13R1.466 COCN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100000766300 [0,2,0,0,0,0|2,0,0]=4 7102 B13R1.466 COCN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100000766300 [0,2,0,0,0,0|2,0,0]=4 7103 B13R1.466 COCN(C)c1ccc(c(c1)C)F 2230a_100011756966_100000766300 [0,2,0,0,0,0|2,0,0]=4 7104 B13R1.466 COCN(C)c1ccc(c(c1)C)F 269982a_100011756966_100000766300 [0,2,0,0,0,0|2,0,0]=4 7105 B13R1.466 COCN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100000766300 [0,2,0,0,0,0|2,0,0]=4 7106 B13R1.466 COCN(C)c1ccc(c(c1)Cl)C 269982a_100000220120_100000766300 [0,2,0,0,0,0|2,0,0]=4 7107 B13R1.466 COCN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000766300 [0,2,0,0,0,0|2,0,0]=4 7108 B13R1.466 COCN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000766300 [0,2,0,0,0,0|2,0,0]=4 7109 B13R1.466 COCN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_100000766300 [0,2,0,0,0,0|2,0,0]=4 7110 B13R1.466 COCN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_100000766300 [0,2,0,0,0,0|2,0,0]=4 7111 B13R1.466 COCN(C)c1ccc(c(c1)F)Br 2230a_100012285320_100000766300 [0,2,0,0,0,0|2,0,0]=4 7112 B13R1.466 COCN(C)c1ccc(c(c1)F)Br 269982a_100012285320_100000766300 [0,2,0,0,0,0|2,0,0]=4 7113 B13R1.466 COCN(C)c1ccc(c(c1)F)C 2230a_100160572069_100000766300 [0,2,0,0,0,0|2,0,0]=4 7114 B13R1.466 COCN(C)c1ccc(c(c1)F)C 269982a_100160572069_100000766300 [0,2,0,0,0,0|2,0,0]=4 7115 B13R1.466 COCN(C)c1ccc(c(c1)F)F 2230a_100000221014_100000766300 [0,2,0,0,0,0|2,0,0]=4 7116 B13R1.466 COCN(C)c1ccc(c(c1)F)F 269982a_100000221014_100000766300 [0,2,0,0,0,0|2,0,0]=4 7117 B13R1.466 COC[C@@H](O)c1ccc(c(c1)F)F 34a_100138415774_100000761251 [0,2,0,0,0,0|2,0,0]=4 7118 B13R1.466 CSCN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100011218213 [0,2,0,0,0,0|2,0,0]=4 7119 B13R1.466 CSCN(C)c1ccc(c(c1)Br)C 269982a_100000707694_100011218213 [0,2,0,0,0,0|2,0,0]=4 7120 B13R1.466 CSCN(C)c1ccc(c(c1)Br)C 34a_100000707694_100011218213 [0,2,0,0,0,0|2,0,0]=4 7121 B13R1.466 CSCN(C)c1ccc(c(c1)C)Br 2230a_100102888905_100011218213 [0,2,0,0,0,0|2,0,0]=4 7122 B13R1.466 CSCN(C)c1ccc(c(c1)C)Br 269982a_100102888905_100011218213 [0,2,0,0,0,0|2,0,0]=4 7123 B13R1.466 CSCN(C)c1ccc(c(c1)C)Br 34a_100102888905_100011218213 [0,2,0,0,0,0|2,0,0]=4 7124 B13R1.466 CSCN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100011218213 [0,2,0,0,0,0|2,0,0]=4 7125 B13R1.466 CSCN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100011218213 [0,2,0,0,0,0|2,0,0]=4 7126 B13R1.466 CSCN(C)c1ccc(c(c1)C)Cl 34a_114849113799_100011218213 [0,2,0,0,0,0|2,0,0]=4 7127 B13R1.466 CSCN(C)c1ccc(c(c1)C)F 2230a_100011756966_100011218213 [0,2,0,0,0,0|2,0,0]=4 7128 B13R1.466 CSCN(C)c1ccc(c(c1)C)F 269982a_100011756966_100011218213 [0,2,0,0,0,0|2,0,0]=4 7129 B13R1.466 CSCN(C)c1ccc(c(c1)C)F 34a_100011756966_100011218213 [0,2,0,0,0,0|2,0,0]=4 7130 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100011218213 [0,2,0,0,0,0|2,0,0]=4 7131 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)C 269982a_100000220120_100011218213 [0,2,0,0,0,0|2,0,0]=4 7132 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)C 34a_100000220120_100011218213 [0,2,0,0,0,0|2,0,0]=4 7133 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100011218213 [0,2,0,0,0,0|2,0,0]=4 7134 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100011218213 [0,2,0,0,0,0|2,0,0]=4 7135 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_100011218213 [0,2,0,0,0,0|2,0,0]=4 7136 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_100011218213 [0,2,0,0,0,0|2,0,0]=4 7137 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_100011218213 [0,2,0,0,0,0|2,0,0]=4 7138 B13R1.466 CSCN(C)c1ccc(c(c1)Cl)F 34a_100000697440_100011218213 [0,2,0,0,0,0|2,0,0]=4 7139 B13R1.466 CSCN(C)c1ccc(c(c1)F)Br 2230a_100012285320_100011218213 [0,2,0,0,0,0|2,0,0]=4 7140 B13R1.466 CSCN(C)c1ccc(c(c1)F)Br 269982a_100012285320_100011218213 [0,2,0,0,0,0|2,0,0]=4 7141 B13R1.466 CSCN(C)c1ccc(c(c1)F)Br 34a_100012285320_100011218213 [0,2,0,0,0,0|2,0,0]=4 7142 B13R1.466 CSCN(C)c1ccc(c(c1)F)C 2230a_100160572069_100011218213 [0,2,0,0,0,0|2,0,0]=4 7143 B13R1.466 CSCN(C)c1ccc(c(c1)F)C 269982a_100160572069_100011218213 [0,2,0,0,0,0|2,0,0]=4 7144 B13R1.466 CSCN(C)c1ccc(c(c1)F)C 34a_100160572069_100011218213 [0,2,0,0,0,0|2,0,0]=4 7145 B13R1.466 CSCN(C)c1ccc(c(c1)F)F 2230a_100000221014_100011218213 [0,2,0,0,0,0|2,0,0]=4 7146 B13R1.466 CSCN(C)c1ccc(c(c1)F)F 269982a_100000221014_100011218213 [0,2,0,0,0,0|2,0,0]=4 7147 B13R1.466 CSCN(C)c1ccc(c(c1)F)F 34a_100000221014_100011218213 [0,2,0,0,0,0|2,0,0]=4 7148 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200000210301 [0,2,0,0,0,0|2,0,0]=4 7149 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_200000210301_100000761251 [0,2,0,0,0,0|2,0,0]=4 7150 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [0,2,0,0,0,0|1,0,0]=3 7151 B13R1.466 [13CH3]OCC(N)c1ccc(c(c1)Cl)Cl 34a_100011404344_200025704644 [0,2,0,0,0,0|2,0,0]=4 7152 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200025704644 [0,2,0,0,0,0|2,0,0]=4 7153 B13R1.466 [13CH3]SC[C@@H](O)c1ccc(c(c1)F)F 62a_200025704644_100000761251 [0,2,0,0,0,0|2,0,0]=4 7154 B13R1.1511 CCCN(C)c1ccc(cc1Br)Br 269982a_200000221195_100000210303 [0,2,0,0,0,0|2,0,0]=4 7155 B13R1.1511 CCCN(C)c1ccc(cc1Br)Br 34a_200000221195_100000210303 [0,2,0,0,0,0|2,0,0]=4 7156 B13R1.1511 CCCN(C)c1ccc(cc1Br)C 2230a_100000221369_100000210303 [0,2,0,0,0,0|2,0,0]=4 7157 B13R1.1511 CCCN(C)c1ccc(cc1Br)C 269982a_100000221369_100000210303 [0,2,0,0,0,0|2,0,0]=4 7158 B13R1.1511 CCCN(C)c1ccc(cc1Br)C 34a_100000221369_100000210303 [0,2,0,0,0,0|2,0,0]=4 7159 B13R1.1511 CCCN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000210303 [0,2,0,0,0,0|2,0,0]=4 7160 B13R1.1511 CCCN(C)c1ccc(cc1Br)Cl 34a_100020633009_100000210303 [0,2,0,0,0,0|2,0,0]=4 7161 B13R1.1511 CCCN(C)c1ccc(cc1Br)F 269982a_100011246292_100000210303 [0,2,0,0,0,0|2,0,0]=4 7162 B13R1.1511 CCCN(C)c1ccc(cc1Br)F 34a_100011246292_100000210303 [0,2,0,0,0,0|2,0,0]=4 7163 B13R1.1511 CCCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000210303 [0,2,0,0,0,0|2,0,0]=4 7164 B13R1.1511 CCCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000210303 [0,2,0,0,0,0|2,0,0]=4 7165 B13R1.1511 CCCN(C)c1ccc(cc1C)Br 34a_100000221803_100000210303 [0,2,0,0,0,0|2,0,0]=4 7166 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 7167 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 7168 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 34a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 7169 B13R1.1511 CCCN(C)c1ccc(cc1C)Cl 38a_114849113698_100000210303 [0,2,0,0,0,0|2,0,0]=4 7170 B13R1.1511 CCCN(C)c1ccc(cc1C)O 269982a_100161107805_100000210303 [0,2,0,0,0,0|2,0,0]=4 7171 B13R1.1511 CCCN(C)c1ccc(cc1C)O 34a_100161107805_100000210303 [0,2,0,0,0,0|2,0,0]=4 7172 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000210303 [0,2,0,0,0,0|2,0,0]=4 7173 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 269982a_100102671017_200000210301 [0,2,0,0,0,0|2,0,0]=4 7174 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 34a_100000221650_100000210303 [0,2,0,0,0,0|2,0,0]=4 7175 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Br 34a_100102671017_200000210301 [0,2,0,0,0,0|2,0,0]=4 7176 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000210303 [0,2,0,0,0,0|2,0,0]=4 7177 B13R1.1511 CCCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000210303 [0,2,0,0,0,0|2,0,0]=4 7178 B13R1.1511 CCCN(C)c1ccc(cc1F)Br 2230a_100000743884_100000210303 [0,2,0,0,0,0|2,0,0]=4 7179 B13R1.1511 CCCN(C)c1ccc(cc1F)Br 269982a_100000743884_100000210303 [0,2,0,0,0,0|2,0,0]=4 7180 B13R1.1511 CCCN(C)c1ccc(cc1F)Br 34a_100000743884_100000210303 [0,2,0,0,0,0|2,0,0]=4 7181 B13R1.1511 CCCN(C)c1ccc(cc1F)F 2230a_100020633734_100000210303 [0,2,0,0,0,0|2,0,0]=4 7182 B13R1.1511 CCCN(C)c1ccc(cc1F)F 269982a_100020633734_100000210303 [0,2,0,0,0,0|2,0,0]=4 7183 B13R1.1511 CCCN(C)c1ccc(cc1F)F 34a_100020633734_100000210303 [0,2,0,0,0,0|2,0,0]=4 7184 B13R1.1511 CCCN(C)c1ccc(cc1F)F 38a_100020633734_100000210303 [0,2,0,0,0,0|2,0,0]=4 7185 B13R1.1511 CCCN(C)c1ccc(cc1F)I 269982a_114948340911_100000210303 [0,2,0,0,0,0|2,0,0]=4 7186 B13R1.1511 CCCN(C)c1ccc(cc1F)I 34a_114948340911_100000210303 [0,2,0,0,0,0|2,0,0]=4 7187 B13R1.1511 CCCN(C)c1ccc(cc1F)I 38a_114948340911_100000210303 [0,2,0,0,0,0|2,0,0]=4 7188 B13R1.1511 CCCN([13CH3])c1ccc(cc1Cl)Br 269982a_100102671017_200025704644 [0,2,0,0,0,0|2,0,0]=4 7189 B13R1.1511 CCCN([13CH3])c1ccc(cc1Cl)Br 34a_100102671017_200025704644 [0,2,0,0,0,0|2,0,0]=4 7190 B13R1.1511 CCNC(C)c1ccc(cc1Br)Br 269862a_100015525214_100000183147 [0,2,0,0,0,0|2,0,0]=4 7191 B13R1.1511 CCNC(C)c1ccc(cc1Br)C 269862a_100015525214_100012353930 [0,2,0,0,0,0|2,0,0]=4 7192 B13R1.1511 CCNC(C)c1ccc(cc1Br)Cl 269862a_100015525214_100011934292 [0,2,0,0,0,0|2,0,0]=4 7193 B13R1.1511 CCNC(C)c1ccc(cc1Br)F 269862a_100015525214_100000686192 [0,2,0,0,0,0|2,0,0]=4 7194 B13R1.1511 CCNC(C)c1ccc(cc1C)Br 269862a_100015525214_100012360112 [0,2,0,0,0,0|2,0,0]=4 7195 B13R1.1511 CCNC(C)c1ccc(cc1C)C 269862a_100015525214_100000211561 [0,2,0,0,0,0|2,0,0]=4 7196 B13R1.1511 CCNC(C)c1ccc(cc1C)Cl 269862a_100015525214_100011998434 [0,2,0,0,0,0|2,0,0]=4 7197 B13R1.1511 CCNC(C)c1ccc(cc1C)F 269862a_100015525214_100000753884 [0,2,0,0,0,0|2,0,0]=4 7198 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Br 269862a_100015525214_100000693907 [0,2,0,0,0,0|2,0,0]=4 7199 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_100000210202 [0,2,0,0,0,0|2,0,0]=4 7200 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 269862a_100015525214_100000210972 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.1511 CCNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_100000210202 [0,2,0,0,0,0|2,0,0]=4 7202 B13R1.1511 CCNC(C)c1ccc(cc1Cl)F 269862a_100015525214_100000214953 [0,2,0,0,0,0|2,0,0]=4 7203 B13R1.1511 CCNC(C)c1ccc(cc1F)Br 2230a_100000730447_100000210202 [0,2,0,0,0,0|2,0,0]=4 7204 B13R1.1511 CCNC(C)c1ccc(cc1F)Br 269862a_100015525214_100000690205 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.1511 CCNC(C)c1ccc(cc1F)Br 34a_100000730447_100000210202 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.1511 CCNC(C)c1ccc(cc1F)C 269862a_100015525214_100011216410 [0,2,0,0,0,0|2,0,0]=4 7207 B13R1.1511 CCNC(C)c1ccc(cc1F)Cl 269862a_100015525214_100011805184 [0,2,0,0,0,0|2,0,0]=4 7208 B13R1.1511 CCNC(C)c1ccc(cc1F)F 2230a_100000181410_100000210202 [0,2,0,0,0,0|2,0,0]=4 7209 B13R1.1511 CCNC(C)c1ccc(cc1F)F 269862a_100015525214_100000185200 [0,2,0,0,0,0|2,0,0]=4 7210 B13R1.1511 CCNC(C)c1ccc(cc1F)F 34a_100000181410_100000210202 [0,2,0,0,0,0|2,0,0]=4 7211 B13R1.1511 CCNC(C)c1ccc(cc1O)Br 269862a_100015525214_100000188348 [0,2,0,0,0,0|2,0,0]=4 7212 B13R1.1511 CCNC(C)c1ccc(cc1O)C 269862a_100015525214_100000234885 [0,2,0,0,0,0|2,0,0]=4 7213 B13R1.1511 CCNC(C)c1ccc(cc1O)Cl 269862a_100015525214_100000061402 [0,2,0,0,0,0|2,0,0]=4 7214 B13R1.1511 CCNC(C)c1ccc(cc1O)F 269862a_100015525214_100011215782 [0,2,0,0,0,0|2,0,0]=4 7215 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000210202 [0,2,0,0,0,0|2,0,0]=4 7216 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100000210202 [0,2,0,0,0,0|2,0,0]=4 7217 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100000210202 [0,2,0,0,0,0|2,0,0]=4 7218 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_100000210202 [0,2,0,0,0,0|2,0,0]=4 7219 B13R1.1511 CCN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_100000210202 [0,2,0,0,0,0|2,0,0]=4 7220 B13R1.1511 CCN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_100000210202 [0,2,0,0,0,0|2,0,0]=4 7221 B13R1.1511 CCN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_100000210202 [0,2,0,0,0,0|2,0,0]=4 7222 B13R1.1511 CCN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_100000210202 [0,2,0,0,0,0|2,0,0]=4 7223 B13R1.1511 CCOC(C)c1ccc(cc1C)C 34a_100000246504_100000210202 [0,2,0,0,0,0|2,0,0]=4 7224 B13R1.1511 CCOC(C)c1ccc(cc1C)C 7a_100000246504_100000210202 [0,2,0,0,0,0|2,0,0]=4 7225 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210202 [0,2,0,0,0,0|2,0,0]=4 7226 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210202 [0,2,0,0,0,0|2,0,0]=4 7227 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210202 [0,2,0,0,0,0|2,0,0]=4 7228 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210202 [0,2,0,0,0,0|2,0,0]=4 7229 B13R1.1511 CCOC(C)c1ccc(cc1F)Cl 34a_200011805215_100000210202 [0,2,0,0,0,0|2,0,0]=4 7230 B13R1.1511 CCOC(C)c1ccc(cc1F)Cl 7a_200011805215_100000210202 [0,2,0,0,0,0|2,0,0]=4 7231 B13R1.1511 CCOC(C)c1ccc(cc1F)F 34a_200000246518_100000210202 [0,2,0,0,0,0|2,0,0]=4 7232 B13R1.1511 CCOC(C)c1ccc(cc1F)F 7a_200000246518_100000210202 [0,2,0,0,0,0|2,0,0]=4 7233 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 34a_100102657272_100012361341 [0,2,0,0,0,0|1,0,1]=4 7234 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 7a_106832991635_100012361341 [0,2,0,0,0,0|1,0,1]=4 7235 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 2230a_106832991635_100000229959 [0,2,0,0,0,0|1,0,1]=4 7236 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 34a_100102657272_100000229959 [0,2,0,0,0,0|1,0,1]=4 7237 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 7a_106832991635_100000229959 [0,2,0,0,0,0|1,0,1]=4 7238 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)Cl 2230a_106832991635_100011218845 [0,2,0,0,0,0|1,0,1]=4 7239 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 2230a_106832991635_100012056422 [0,2,0,0,0,0|1,0,1]=4 7240 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 34a_100102657272_100012056422 [0,2,0,0,0,0|1,0,1]=4 7241 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 34a_100102657272_200012361339 [0,2,0,0,0,0|1,0,1]=4 7242 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 7a_106832991635_200012361339 [0,2,0,0,0,0|1,0,1]=4 7243 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 34a_100102657272_100012351891 [0,2,0,0,0,0|1,0,1]=4 7244 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 7a_106832991635_100012351891 [0,2,0,0,0,0|1,0,1]=4 7245 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 34a_100102657272_100000229962 [0,2,0,0,0,0|1,0,1]=4 7246 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 7a_106832991635_100000229962 [0,2,0,0,0,0|1,0,1]=4 7247 B13R1.1511 CNCC(=O)c1ccc(cc1O)F 34a_100102657272_100009817053 [0,2,0,0,0,0|1,0,1]=4 7248 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 34a_100102657272_100009814262 [0,2,0,0,0,0|1,0,1]=4 7249 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 7a_106832991635_100009814262 [0,2,0,0,0,0|1,0,1]=4 7250 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 2230a_106832991635_100000761269 [0,2,0,0,0,0|1,0,0]=3 7251 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 34a_100102657272_100000761269 [0,2,0,0,0,0|1,0,0]=3 7252 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 7a_106832991635_100000761269 [0,2,0,0,0,0|1,0,0]=3 7253 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_106832991635_100000761231 [0,2,0,0,0,0|1,0,0]=3 7254 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100102657272_100000761231 [0,2,0,0,0,0|1,0,0]=3 7255 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 7a_106832991635_100000761231 [0,2,0,0,0,0|1,0,0]=3 7256 B13R1.1511 COCN(C)c1ccc(cc1Br)Br 269982a_200000221195_100000766300 [0,2,0,0,0,0|2,0,0]=4 7257 B13R1.1511 COCN(C)c1ccc(cc1Br)C 2230a_100000221369_100000766300 [0,2,0,0,0,0|2,0,0]=4 7258 B13R1.1511 COCN(C)c1ccc(cc1Br)C 269982a_100000221369_100000766300 [0,2,0,0,0,0|2,0,0]=4 7259 B13R1.1511 COCN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000766300 [0,2,0,0,0,0|2,0,0]=4 7260 B13R1.1511 COCN(C)c1ccc(cc1Br)F 269982a_100011246292_100000766300 [0,2,0,0,0,0|2,0,0]=4 7261 B13R1.1511 COCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000766300 [0,2,0,0,0,0|2,0,0]=4 7262 B13R1.1511 COCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000766300 [0,2,0,0,0,0|2,0,0]=4 7263 B13R1.1511 COCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000766300 [0,2,0,0,0,0|2,0,0]=4 7264 B13R1.1511 COCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000766300 [0,2,0,0,0,0|2,0,0]=4 7265 B13R1.1511 COCN(C)c1ccc(cc1C)O 269982a_100161107805_100000766300 [0,2,0,0,0,0|2,0,0]=4 7266 B13R1.1511 COCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000766300 [0,2,0,0,0,0|2,0,0]=4 7267 B13R1.1511 COCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000766300 [0,2,0,0,0,0|2,0,0]=4 7268 B13R1.1511 COCN(C)c1ccc(cc1F)Br 2230a_100000743884_100000766300 [0,2,0,0,0,0|2,0,0]=4 7269 B13R1.1511 COCN(C)c1ccc(cc1F)Br 269982a_100000743884_100000766300 [0,2,0,0,0,0|2,0,0]=4 7270 B13R1.1511 COCN(C)c1ccc(cc1F)F 2230a_100020633734_100000766300 [0,2,0,0,0,0|2,0,0]=4 7271 B13R1.1511 COCN(C)c1ccc(cc1F)F 269982a_100020633734_100000766300 [0,2,0,0,0,0|2,0,0]=4 7272 B13R1.1511 COCN(C)c1ccc(cc1F)I 269982a_114948340911_100000766300 [0,2,0,0,0,0|2,0,0]=4 7273 B13R1.1511 COC[C@@H](N)c1ccc(cc1C)Br 34a_100138412551_200000210301 [0,2,0,0,0,0|2,0,0]=4 7274 B13R1.1511 COC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_200000210301 [0,2,0,0,0,0|2,0,0]=4 7275 B13R1.1511 COC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_200000210301 [0,2,0,0,0,0|2,0,0]=4 7276 B13R1.1511 COC[C@@H](O)c1ccc(cc1F)F 34a_100138415774_100000761269 [0,2,0,0,0,0|2,0,0]=4 7277 B13R1.1511 COC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138415774_100000761231 [0,2,0,0,0,0|2,0,0]=4 7278 B13R1.1511 CSCN(C)c1ccc(cc1Br)Br 269982a_200000221195_100011218213 [0,2,0,0,0,0|2,0,0]=4 7279 B13R1.1511 CSCN(C)c1ccc(cc1Br)Br 34a_200000221195_100011218213 [0,2,0,0,0,0|2,0,0]=4 7280 B13R1.1511 CSCN(C)c1ccc(cc1Br)C 2230a_100000221369_100011218213 [0,2,0,0,0,0|2,0,0]=4 7281 B13R1.1511 CSCN(C)c1ccc(cc1Br)C 269982a_100000221369_100011218213 [0,2,0,0,0,0|2,0,0]=4 7282 B13R1.1511 CSCN(C)c1ccc(cc1Br)C 34a_100000221369_100011218213 [0,2,0,0,0,0|2,0,0]=4 7283 B13R1.1511 CSCN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100011218213 [0,2,0,0,0,0|2,0,0]=4 7284 B13R1.1511 CSCN(C)c1ccc(cc1Br)Cl 34a_100020633009_100011218213 [0,2,0,0,0,0|2,0,0]=4 7285 B13R1.1511 CSCN(C)c1ccc(cc1Br)F 269982a_100011246292_100011218213 [0,2,0,0,0,0|2,0,0]=4 7286 B13R1.1511 CSCN(C)c1ccc(cc1Br)F 34a_100011246292_100011218213 [0,2,0,0,0,0|2,0,0]=4 7287 B13R1.1511 CSCN(C)c1ccc(cc1C)Br 2230a_100000221803_100011218213 [0,2,0,0,0,0|2,0,0]=4 7288 B13R1.1511 CSCN(C)c1ccc(cc1C)Br 269982a_100000221803_100011218213 [0,2,0,0,0,0|2,0,0]=4 7289 B13R1.1511 CSCN(C)c1ccc(cc1C)Br 34a_100000221803_100011218213 [0,2,0,0,0,0|2,0,0]=4 7290 B13R1.1511 CSCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100011218213 [0,2,0,0,0,0|2,0,0]=4 7291 B13R1.1511 CSCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100011218213 [0,2,0,0,0,0|2,0,0]=4 7292 B13R1.1511 CSCN(C)c1ccc(cc1C)Cl 34a_114849113698_100011218213 [0,2,0,0,0,0|2,0,0]=4 7293 B13R1.1511 CSCN(C)c1ccc(cc1C)O 269982a_100161107805_100011218213 [0,2,0,0,0,0|2,0,0]=4 7294 B13R1.1511 CSCN(C)c1ccc(cc1C)O 34a_100161107805_100011218213 [0,2,0,0,0,0|2,0,0]=4 7295 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100011218213 [0,2,0,0,0,0|2,0,0]=4 7296 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Br 34a_100000221650_100011218213 [0,2,0,0,0,0|2,0,0]=4 7297 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100011218213 [0,2,0,0,0,0|2,0,0]=4 7298 B13R1.1511 CSCN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100011218213 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.1511 CSCN(C)c1ccc(cc1F)Br 2230a_100000743884_100011218213 [0,2,0,0,0,0|2,0,0]=4 7300 B13R1.1511 CSCN(C)c1ccc(cc1F)Br 269982a_100000743884_100011218213 [0,2,0,0,0,0|2,0,0]=4 7301 B13R1.1511 CSCN(C)c1ccc(cc1F)Br 34a_100000743884_100011218213 [0,2,0,0,0,0|2,0,0]=4 7302 B13R1.1511 CSCN(C)c1ccc(cc1F)F 2230a_100020633734_100011218213 [0,2,0,0,0,0|2,0,0]=4 7303 B13R1.1511 CSCN(C)c1ccc(cc1F)F 269982a_100020633734_100011218213 [0,2,0,0,0,0|2,0,0]=4 7304 B13R1.1511 CSCN(C)c1ccc(cc1F)F 34a_100020633734_100011218213 [0,2,0,0,0,0|2,0,0]=4 7305 B13R1.1511 CSCN(C)c1ccc(cc1F)I 269982a_114948340911_100011218213 [0,2,0,0,0,0|2,0,0]=4 7306 B13R1.1511 CSCN(C)c1ccc(cc1F)I 34a_114948340911_100011218213 [0,2,0,0,0,0|2,0,0]=4 7307 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200000210301 [0,2,0,0,0,0|2,0,0]=4 7308 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_200000210301_100000761269 [0,2,0,0,0,0|2,0,0]=4 7309 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200000210301 [0,2,0,0,0,0|2,0,0]=4 7310 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_200000210301_100000761231 [0,2,0,0,0,0|2,0,0]=4 7311 B13R1.1511 Cc1cc(ccc1[C@H](N)CO[13CH3])Br 34a_100138412551_200025704644 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.1511 [13CH3]OC[C@@H](N)c1ccc(cc1Cl)F 34a_102531768864_200025704644 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.1511 [13CH3]OC[C@@H](N)c1ccc(cc1F)F 34a_100138412331_200025704644 [0,2,0,0,0,0|2,0,0]=4 7314 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200025704644 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_200025704644_100000761269 [0,2,0,0,0,0|2,0,0]=4 7316 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200025704644 [0,2,0,0,0,0|2,0,0]=4 7317 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_200025704644_100000761231 [0,2,0,0,0,0|2,0,0]=4 7318 B13R1.12 CCCN(C)c1cccc(c1C)Cl 2230a_100020606106_100000210303 [0,2,0,0,0,0|2,0,0]=4 7319 B13R1.12 CCCN(C)c1cccc(c1C)Cl 269982a_100020606106_100000210303 [0,2,0,0,0,0|2,0,0]=4 7320 B13R1.12 CCCN(C)c1cccc(c1C)Cl 34a_100020606106_100000210303 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.12 CCCN(C)c1cccc(c1C)Cl 38a_100020606106_100000210303 [0,2,0,0,0,0|2,0,0]=4 7322 B13R1.12 CCCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100000210303 [0,2,0,0,0,0|2,0,0]=4 7323 B13R1.12 CCCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100000210303 [0,2,0,0,0,0|2,0,0]=4 7324 B13R1.12 CCCN(C)c1cccc(c1Cl)Cl 34a_100000742713_100000210303 [0,2,0,0,0,0|2,0,0]=4 7325 B13R1.12 CCCN(C)c1cccc(c1F)Cl 2230a_100020633735_100000210303 [0,2,0,0,0,0|2,0,0]=4 7326 B13R1.12 CCCN(C)c1cccc(c1F)Cl 269982a_100020633735_100000210303 [0,2,0,0,0,0|2,0,0]=4 7327 B13R1.12 CCCN(C)c1cccc(c1F)Cl 34a_100020633735_100000210303 [0,2,0,0,0,0|2,0,0]=4 7328 B13R1.12 CCCN(C)c1cccc(c1F)Cl 38a_100020633735_100000210303 [0,2,0,0,0,0|2,0,0]=4 7329 B13R1.12 CCNC(C)c1cccc(c1Br)Cl 269862a_100015525214_100010145520 [0,2,0,0,0,0|2,0,0]=4 7330 B13R1.12 CCNC(C)c1cccc(c1Br)F 269862a_100015525214_100012362612 [0,2,0,0,0,0|2,0,0]=4 7331 B13R1.12 CCNC(C)c1cccc(c1C)Br 269862a_100015525214_100012706834 [0,2,0,0,0,0|2,0,0]=4 7332 B13R1.12 CCNC(C)c1cccc(c1C)C 2230a_100015525214_100012183177 [0,2,0,0,0,0|2,0,0]=4 7333 B13R1.12 CCNC(C)c1cccc(c1C)C 269862a_100015525214_100000756305 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.12 CCNC(C)c1cccc(c1C)Cl 269862a_100015525214_100012002460 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.12 CCNC(C)c1cccc(c1C)F 269862a_100015525214_100000061526 [0,2,0,0,0,0|2,0,0]=4 7336 B13R1.12 CCNC(C)c1cccc(c1C)I 269862a_100015525214_100010725598 [0,2,0,0,0,0|2,0,0]=4 7337 B13R1.12 CCNC(C)c1cccc(c1Cl)Br 269862a_100015525214_100012349481 [0,2,0,0,0,0|2,0,0]=4 7338 B13R1.12 CCNC(C)c1cccc(c1Cl)Cl 2230a_100015335525_100000210202 [0,2,0,0,0,0|2,0,0]=4 7339 B13R1.12 CCNC(C)c1cccc(c1Cl)Cl 269862a_100015525214_100000756844 [0,2,0,0,0,0|2,0,0]=4 7340 B13R1.12 CCNC(C)c1cccc(c1Cl)Cl 34a_100015335525_100000210202 [0,2,0,0,0,0|2,0,0]=4 7341 B13R1.12 CCNC(C)c1cccc(c1Cl)F 2230a_100103153465_100000210202 [0,2,0,0,0,0|2,0,0]=4 7342 B13R1.12 CCNC(C)c1cccc(c1Cl)F 269862a_100015525214_100000699253 [0,2,0,0,0,0|2,0,0]=4 7343 B13R1.12 CCNC(C)c1cccc(c1Cl)F 34a_100103153465_100000210202 [0,2,0,0,0,0|2,0,0]=4 7344 B13R1.12 CCNC(C)c1cccc(c1F)Br 269862a_100015525214_100012355707 [0,2,0,0,0,0|2,0,0]=4 7345 B13R1.12 CCNC(C)c1cccc(c1F)C 269862a_100015525214_100012182731 [0,2,0,0,0,0|2,0,0]=4 7346 B13R1.12 CCNC(C)c1cccc(c1F)Cl 269862a_100015525214_100011830330 [0,2,0,0,0,0|2,0,0]=4 7347 B13R1.12 CCNC(C)c1cccc(c1F)F 269862a_100015525214_100000696358 [0,2,0,0,0,0|2,0,0]=4 7348 B13R1.12 CCNC(C)c1cccc(c1O)Br 269862a_100015525214_100009815558 [0,2,0,0,0,0|2,0,0]=4 7349 B13R1.12 CCNC(C)c1cccc(c1O)C 269862a_100015525214_100009847209 [0,2,0,0,0,0|2,0,0]=4 7350 B13R1.12 CCNC(C)c1cccc(c1O)Cl 269862a_100015525214_100000043392 [0,2,0,0,0,0|2,0,0]=4 7351 B13R1.12 CCNC(C)c1cccc(c1O)F 269862a_100015525214_100011246037 [0,2,0,0,0,0|2,0,0]=4 7352 B13R1.12 CCN[C@@H](C)c1cccc(c1F)F 2230a_100020612118_100000210202 [0,2,0,0,0,0|2,0,0]=4 7353 B13R1.12 CCN[C@@H](C)c1cccc(c1F)F 34a_100020612118_100000210202 [0,2,0,0,0,0|2,0,0]=4 7354 B13R1.12 CCN[C@H](C)c1cccc(c1F)Cl 2230a_100016987989_100000210202 [0,2,0,0,0,0|2,0,0]=4 7355 B13R1.12 CCN[C@H](C)c1cccc(c1F)Cl 34a_100016987989_100000210202 [0,2,0,0,0,0|2,0,0]=4 7356 B13R1.12 CCOC(C)c1cccc(c1C)C 34a_100121572206_100012183177 [0,2,0,0,0,0|2,0,0]=4 7357 B13R1.12 CCOC(C)c1cccc(c1F)Br 34a_200012356376_100000210202 [0,2,0,0,0,0|2,0,0]=4 7358 B13R1.12 CCOC(C)c1cccc(c1F)Br 7a_200012356376_100000210202 [0,2,0,0,0,0|2,0,0]=4 7359 B13R1.12 CCOC(C)c1cccc(c1F)F 34a_100011944069_100000210202 [0,2,0,0,0,0|2,0,0]=4 7360 B13R1.12 CCOC(C)c1cccc(c1F)F 7a_100011944069_100000210202 [0,2,0,0,0,0|2,0,0]=4 7361 B13R1.12 CCSC(C)c1cccc(c1C)C 62a_100000210202_100012183177 [0,2,0,0,0,0|2,0,0]=4 7362 B13R1.12 CCSC(C)c1cccc(c1C)C 62a_100012183177_100000210202 [0,2,0,0,0,0|2,0,0]=4 7363 B13R1.12 CNCC(=O)c1cccc(c1C)I 34a_100102657272_100160470822 [0,2,0,0,0,0|1,0,1]=4 7364 B13R1.12 CNCC(=O)c1cccc(c1C)I 7a_106832991635_100160470822 [0,2,0,0,0,0|1,0,1]=4 7365 B13R1.12 CNCC(=O)c1cccc(c1F)Br 2230a_106832991635_100012356374 [0,2,0,0,0,0|1,0,1]=4 7366 B13R1.12 CNCC(=O)c1cccc(c1F)Br 34a_100102657272_100012356374 [0,2,0,0,0,0|1,0,1]=4 7367 B13R1.12 CNCC(=O)c1cccc(c1F)Br 7a_106832991635_100012356374 [0,2,0,0,0,0|1,0,1]=4 7368 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 2230a_106832991635_200012351890 [0,2,0,0,0,0|1,0,1]=4 7369 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 34a_100102657272_200012351890 [0,2,0,0,0,0|1,0,1]=4 7370 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 7a_106832991635_200012351890 [0,2,0,0,0,0|1,0,1]=4 7371 B13R1.12 COCN(C)c1cccc(c1C)Cl 2230a_100020606106_100000766300 [0,2,0,0,0,0|2,0,0]=4 7372 B13R1.12 COCN(C)c1cccc(c1C)Cl 269982a_100020606106_100000766300 [0,2,0,0,0,0|2,0,0]=4 7373 B13R1.12 COCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100000766300 [0,2,0,0,0,0|2,0,0]=4 7374 B13R1.12 COCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100000766300 [0,2,0,0,0,0|2,0,0]=4 7375 B13R1.12 COCN(C)c1cccc(c1F)Cl 2230a_100020633735_100000766300 [0,2,0,0,0,0|2,0,0]=4 7376 B13R1.12 COCN(C)c1cccc(c1F)Cl 269982a_100020633735_100000766300 [0,2,0,0,0,0|2,0,0]=4 7377 B13R1.12 CSCN(C)c1cccc(c1C)Cl 2230a_100020606106_100011218213 [0,2,0,0,0,0|2,0,0]=4 7378 B13R1.12 CSCN(C)c1cccc(c1C)Cl 269982a_100020606106_100011218213 [0,2,0,0,0,0|2,0,0]=4 7379 B13R1.12 CSCN(C)c1cccc(c1C)Cl 34a_100020606106_100011218213 [0,2,0,0,0,0|2,0,0]=4 7380 B13R1.12 CSCN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100011218213 [0,2,0,0,0,0|2,0,0]=4 7381 B13R1.12 CSCN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100011218213 [0,2,0,0,0,0|2,0,0]=4 7382 B13R1.12 CSCN(C)c1cccc(c1Cl)Cl 34a_100000742713_100011218213 [0,2,0,0,0,0|2,0,0]=4 7383 B13R1.12 CSCN(C)c1cccc(c1F)Cl 2230a_100020633735_100011218213 [0,2,0,0,0,0|2,0,0]=4 7384 B13R1.12 CSCN(C)c1cccc(c1F)Cl 269982a_100020633735_100011218213 [0,2,0,0,0,0|2,0,0]=4 7385 B13R1.12 CSCN(C)c1cccc(c1F)Cl 34a_100020633735_100011218213 [0,2,0,0,0,0|2,0,0]=4 7386 B13R1.18 C#CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000038162 [0,2,0,0,0,0|1,0,1]=4 7387 B13R1.18 C#CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000038162 [0,2,0,0,0,0|1,0,1]=4 7388 B13R1.18 C#CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000184674 [0,2,0,0,0,0|1,0,1]=4 7389 B13R1.18 C#CCNC(C)c1cccc(c1)O 2230a_100000740644_100000038162 [0,2,0,0,0,0|1,0,1]=4 7390 B13R1.18 C#CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000038162 [0,2,0,0,0,0|1,0,1]=4 7391 B13R1.18 C#CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000184674 [0,2,0,0,0,0|1,0,1]=4 7392 B13R1.18 C#CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000038162 [0,2,0,0,0,0|1,0,1]=4 7393 B13R1.18 C#CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000184674 [0,2,0,0,0,0|1,0,1]=4 7394 B13R1.18 C#CCOC(C)c1cccc(c1)Br 34a_100000246457_100000184674 [0,2,0,0,0,0|1,0,1]=4 7395 B13R1.18 C#CCOC(C)c1cccc(c1)Br 7a_100000246457_100000038162 [0,2,0,0,0,0|1,0,1]=4 7396 B13R1.18 C#CCOC(C)c1cccc(c1)C 34a_100000757818_100000184674 [0,2,0,0,0,0|1,0,1]=4 7397 B13R1.18 C#CCOC(C)c1cccc(c1)C 7a_100000757818_100000038162 [0,2,0,0,0,0|1,0,1]=4 7398 B13R1.18 C#CCOC(C)c1cccc(c1)F 34a_100000744526_100000184674 [0,2,0,0,0,0|1,0,1]=4 7399 B13R1.18 C#CCOC(C)c1cccc(c1)F 7a_100000744526_100000038162 [0,2,0,0,0,0|1,0,1]=4 7400 B13R1.18 C#CCOC(C)c1cccc(c1)I 34a_100013085317_100000184674 [0,2,0,0,0,0|1,0,1]=4 7401 B13R1.18 C#CCOC(C)c1cccc(c1)I 7a_100013085317_100000038162 [0,2,0,0,0,0|1,0,1]=4 7402 B13R1.18 C#CCOC(C)c1cccc(c1)N 34a_100011217120_100000184674 [0,2,0,0,0,0|1,0,1]=4 7403 B13R1.18 C#CCOC(C)c1cccc(c1)N 7a_100011217120_100000038162 [0,2,0,0,0,0|1,0,1]=4 7404 B13R1.18 C#CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000184674 [0,2,0,0,0,0|1,0,1]=4 7405 B13R1.18 C#CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000038162 [0,2,0,0,0,0|1,0,1]=4 7406 B13R1.18 C/C=C/CN(C)c1cccc(c1)Br 269982a_100000219648_100102629194 [0,2,0,0,0,0|2,0,0]=4 7407 B13R1.18 C/C=C/CN(C)c1cccc(c1)Br 34a_100000219648_100102629194 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.18 C/C=C/CN(C)c1cccc(c1)C 269982a_100000219674_100102629194 [0,2,0,0,0,0|2,0,0]=4 7409 B13R1.18 C/C=C/CN(C)c1cccc(c1)C 34a_100000219674_100102629194 [0,2,0,0,0,0|2,0,0]=4 7410 B13R1.18 C/C=C/CN(C)c1cccc(c1)Cl 269982a_100000220044_100102629194 [0,2,0,0,0,0|2,0,0]=4 7411 B13R1.18 C/C=C/CN(C)c1cccc(c1)Cl 34a_100000220044_100102629194 [0,2,0,0,0,0|2,0,0]=4 7412 B13R1.18 C/C=C/CN(C)c1cccc(c1)F 269982a_100020633736_100102629194 [0,2,0,0,0,0|2,0,0]=4 7413 B13R1.18 C/C=C/CN(C)c1cccc(c1)F 34a_100020633736_100102629194 [0,2,0,0,0,0|2,0,0]=4 7414 B13R1.18 C/C=C/CN(C)c1cccc(c1)I 269982a_100000221217_100102629194 [0,2,0,0,0,0|2,0,0]=4 7415 B13R1.18 C/C=C/CN(C)c1cccc(c1)I 34a_100000221217_100102629194 [0,2,0,0,0,0|2,0,0]=4 7416 B13R1.18 C/C=C/CN(C)c1cccc(c1)O 269982a_100000756613_100102629194 [0,2,0,0,0,0|2,0,0]=4 7417 B13R1.18 C/C=C/CN(C)c1cccc(c1)O 34a_100000756613_100102629194 [0,2,0,0,0,0|2,0,0]=4 7418 B13R1.18 C=CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210623 [0,2,0,0,0,0|1,0,1]=4 7419 B13R1.18 C=CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210623 [0,2,0,0,0,0|1,0,1]=4 7420 B13R1.18 C=CCNC(C)c1cccc(c1)Cl 34a_100102723534_100015514636 [0,2,0,0,0,0|1,0,1]=4 7421 B13R1.18 C=CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210623 [0,2,0,0,0,0|1,0,1]=4 7422 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210623 [0,2,0,0,0,0|1,0,1]=4 7423 B13R1.18 C=CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100015514636 [0,2,0,0,0,0|1,0,1]=4 7424 B13R1.18 C=CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210623 [0,2,0,0,0,0|1,0,1]=4 7425 B13R1.18 C=CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100015514636 [0,2,0,0,0,0|1,0,1]=4 7426 B13R1.18 C=CCOC(C)c1cccc(c1)Br 34a_100000246457_100015514636 [0,2,0,0,0,0|1,0,1]=4 7427 B13R1.18 C=CCOC(C)c1cccc(c1)Br 7a_100000246457_100015514636 [0,2,0,0,0,0|1,0,1]=4 7428 B13R1.18 C=CCOC(C)c1cccc(c1)C 34a_100000757818_100015514636 [0,2,0,0,0,0|1,0,1]=4 7429 B13R1.18 C=CCOC(C)c1cccc(c1)C 7a_100000757818_100015514636 [0,2,0,0,0,0|1,0,1]=4 7430 B13R1.18 C=CCOC(C)c1cccc(c1)F 34a_100000744526_100015514636 [0,2,0,0,0,0|1,0,1]=4 7431 B13R1.18 C=CCOC(C)c1cccc(c1)F 7a_100000744526_100015514636 [0,2,0,0,0,0|1,0,1]=4 7432 B13R1.18 C=CCOC(C)c1cccc(c1)I 34a_100013085317_100015514636 [0,2,0,0,0,0|1,0,1]=4 7433 B13R1.18 C=CCOC(C)c1cccc(c1)I 7a_100013085317_100015514636 [0,2,0,0,0,0|1,0,1]=4 7434 B13R1.18 C=CCOC(C)c1cccc(c1)N 34a_100011217120_100015514636 [0,2,0,0,0,0|1,0,1]=4 7435 B13R1.18 C=CCOC(C)c1cccc(c1)N 7a_100011217120_100015514636 [0,2,0,0,0,0|1,0,1]=4 7436 B13R1.18 C=CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100015514636 [0,2,0,0,0,0|1,0,1]=4 7437 B13R1.18 C=CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100015514636 [0,2,0,0,0,0|1,0,1]=4 7438 B13R1.18 CC#CCN(C)c1cccc(c1)Br 2230a_100000219648_100000748600 [0,2,0,0,0,0|2,0,0]=4 7439 B13R1.18 CC#CCN(C)c1cccc(c1)Br 34a_100000219648_100000748600 [0,2,0,0,0,0|2,0,0]=4 7440 B13R1.18 CC#CCN(C)c1cccc(c1)C 2230a_100000219674_100000748600 [0,2,0,0,0,0|2,0,0]=4 7441 B13R1.18 CC#CCN(C)c1cccc(c1)C 34a_100000219674_100000748600 [0,2,0,0,0,0|2,0,0]=4 7442 B13R1.18 CC#CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000748600 [0,2,0,0,0,0|2,0,0]=4 7443 B13R1.18 CC#CCN(C)c1cccc(c1)Cl 34a_100000220044_100000748600 [0,2,0,0,0,0|2,0,0]=4 7444 B13R1.18 CC#CCN(C)c1cccc(c1)F 2230a_100020633736_100000748600 [0,2,0,0,0,0|2,0,0]=4 7445 B13R1.18 CC#CCN(C)c1cccc(c1)F 34a_100020633736_100000748600 [0,2,0,0,0,0|2,0,0]=4 7446 B13R1.18 CC#CCN(C)c1cccc(c1)I 2230a_100000221217_100000748600 [0,2,0,0,0,0|2,0,0]=4 7447 B13R1.18 CC#CCN(C)c1cccc(c1)I 34a_100000221217_100000748600 [0,2,0,0,0,0|2,0,0]=4 7448 B13R1.18 CC#CCN(C)c1cccc(c1)O 2230a_100000756613_100000748600 [0,2,0,0,0,0|2,0,0]=4 7449 B13R1.18 CC#CCN(C)c1cccc(c1)O 34a_100000756613_100000748600 [0,2,0,0,0,0|2,0,0]=4 7450 B13R1.18 CC(NCC#N)c1cccc(c1)Br 2230a_100020642005_100011215382 [0,2,0,0,0,0|2,0,0]=4 7451 B13R1.18 CC(NCC#N)c1cccc(c1)Cl 2230a_100102723534_100011215382 [0,2,0,0,0,0|2,0,0]=4 7452 B13R1.18 CC(NCC#N)c1cccc(c1)O 2230a_100000740644_100011215382 [0,2,0,0,0,0|2,0,0]=4 7453 B13R1.18 CC(NCC=O)c1cccc(c1)Br 2230a_100020642005_200015260668 [0,2,0,0,0,0|2,0,0]=4 7454 B13R1.18 CC(NCC=O)c1cccc(c1)Cl 2230a_100102723534_200015260668 [0,2,0,0,0,0|2,0,0]=4 7455 B13R1.18 CC(NCC=O)c1cccc(c1)Cl 34a_100102723534_200009817547 [0,2,0,0,0,0|2,0,0]=4 7456 B13R1.18 CC(NCC=O)c1cccc(c1)O 2230a_100000740644_200015260668 [0,2,0,0,0,0|2,0,0]=4 7457 B13R1.18 CC(NCCF)c1cccc(c1)Br 2230a_100020642005_100011217306 [0,2,0,0,0,0|2,0,0]=4 7458 B13R1.18 CC(NCCF)c1cccc(c1)Br 269862a_100000724931_100000210093 [0,2,0,0,0,0|2,0,0]=4 7459 B13R1.18 CC(NCCF)c1cccc(c1)Cl 2230a_100102723534_100011217306 [0,2,0,0,0,0|2,0,0]=4 7460 B13R1.18 CC(NCCF)c1cccc(c1)Cl 269862a_100000724931_200000210964 [0,2,0,0,0,0|2,0,0]=4 7461 B13R1.18 CC(NCCF)c1cccc(c1)Cl 34a_100102723534_100011217306 [0,2,0,0,0,0|2,0,0]=4 7462 B13R1.18 CC(NCCF)c1cccc(c1)F 269862a_100000724931_100000187083 [0,2,0,0,0,0|2,0,0]=4 7463 B13R1.18 CC(NCCF)c1cccc(c1)I 269862a_100000724931_100011356966 [0,2,0,0,0,0|2,0,0]=4 7464 B13R1.18 CC(NCCF)c1cccc(c1)O 2230a_100000740644_100011217306 [0,2,0,0,0,0|2,0,0]=4 7465 B13R1.18 CC(NCCF)c1cccc(c1)O 269862a_100000724931_100000211620 [0,2,0,0,0,0|2,0,0]=4 7466 B13R1.18 CC(NCCO)c1cccc(c1)Br 2230a_100020642005_100000211926 [0,2,0,0,0,0|2,0,0]=4 7467 B13R1.18 CC(NCCO)c1cccc(c1)Br 269862a_100000210304_100000210093 [0,2,0,0,0,0|2,0,0]=4 7468 B13R1.18 CC(NCCO)c1cccc(c1)Cl 2230a_100102723534_100000211926 [0,2,0,0,0,0|2,0,0]=4 7469 B13R1.18 CC(NCCO)c1cccc(c1)Cl 269862a_100000210304_200000210964 [0,2,0,0,0,0|2,0,0]=4 7470 B13R1.18 CC(NCCO)c1cccc(c1)Cl 34a_100102723534_100000211926 [0,2,0,0,0,0|2,0,0]=4 7471 B13R1.18 CC(NCCO)c1cccc(c1)F 269862a_100000210304_100000187083 [0,2,0,0,0,0|2,0,0]=4 7472 B13R1.18 CC(NCCO)c1cccc(c1)I 269862a_100000210304_100011356966 [0,2,0,0,0,0|2,0,0]=4 7473 B13R1.18 CC(NCCO)c1cccc(c1)O 2230a_100000740644_100000211926 [0,2,0,0,0,0|2,0,0]=4 7474 B13R1.18 CC(NCCO)c1cccc(c1)O 269862a_100000210304_100000211620 [0,2,0,0,0,0|2,0,0]=4 7475 B13R1.18 CC(OCC#N)c1cccc(c1)Br 7a_100000246457_100011215382 [0,2,0,0,0,0|2,0,0]=4 7476 B13R1.18 CC(OCC#N)c1cccc(c1)F 7a_100000744526_100011215382 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.18 CC(OCC#N)c1cccc(c1)I 7a_100013085317_100011215382 [0,2,0,0,0,0|2,0,0]=4 7478 B13R1.18 CC(OCC#N)c1cccc(c1)N 7a_100011217120_100011215382 [0,2,0,0,0,0|2,0,0]=4 7479 B13R1.18 CC(OCC=O)c1cccc(c1)Br 34a_100000246457_200009817547 [0,2,0,0,0,0|2,0,0]=4 7480 B13R1.18 CC(OCC=O)c1cccc(c1)Br 7a_100000246457_200015260668 [0,2,0,0,0,0|2,0,0]=4 7481 B13R1.18 CC(OCC=O)c1cccc(c1)F 34a_100000744526_200009817547 [0,2,0,0,0,0|2,0,0]=4 7482 B13R1.18 CC(OCC=O)c1cccc(c1)F 7a_100000744526_200015260668 [0,2,0,0,0,0|2,0,0]=4 7483 B13R1.18 CC(OCC=O)c1cccc(c1)I 34a_100013085317_200009817547 [0,2,0,0,0,0|2,0,0]=4 7484 B13R1.18 CC(OCC=O)c1cccc(c1)I 7a_100013085317_200015260668 [0,2,0,0,0,0|2,0,0]=4 7485 B13R1.18 CC(OCC=O)c1cccc(c1)N 34a_100011217120_200009817547 [0,2,0,0,0,0|2,0,0]=4 7486 B13R1.18 CC(OCC=O)c1cccc(c1)N 7a_100011217120_200015260668 [0,2,0,0,0,0|2,0,0]=4 7487 B13R1.18 CC(OCCF)c1cccc(c1)Br 34a_100000246457_100011217306 [0,2,0,0,0,0|2,0,0]=4 7488 B13R1.18 CC(OCCF)c1cccc(c1)Br 7a_100000246457_100011217306 [0,2,0,0,0,0|2,0,0]=4 7489 B13R1.18 CC(OCCF)c1cccc(c1)F 34a_100000744526_100011217306 [0,2,0,0,0,0|2,0,0]=4 7490 B13R1.18 CC(OCCF)c1cccc(c1)F 7a_100000744526_100011217306 [0,2,0,0,0,0|2,0,0]=4 7491 B13R1.18 CC(OCCF)c1cccc(c1)I 34a_100013085317_100011217306 [0,2,0,0,0,0|2,0,0]=4 7492 B13R1.18 CC(OCCF)c1cccc(c1)I 7a_100013085317_100011217306 [0,2,0,0,0,0|2,0,0]=4 7493 B13R1.18 CC(OCCF)c1cccc(c1)N 34a_100011217120_100011217306 [0,2,0,0,0,0|2,0,0]=4 7494 B13R1.18 CC(OCCF)c1cccc(c1)N 7a_100011217120_100011217306 [0,2,0,0,0,0|2,0,0]=4 7495 B13R1.18 CC(OCCO)c1cccc(c1)Br 34a_100000246457_100000211926 [0,2,0,0,0,0|2,0,0]=4 7496 B13R1.18 CC(OCCO)c1cccc(c1)Br 7a_100000246457_100000211926 [0,2,0,0,0,0|2,0,0]=4 7497 B13R1.18 CC(OCCO)c1cccc(c1)F 34a_100000744526_100000211926 [0,2,0,0,0,0|2,0,0]=4 7498 B13R1.18 CC(OCCO)c1cccc(c1)F 7a_100000744526_100000211926 [0,2,0,0,0,0|2,0,0]=4 7499 B13R1.18 CC(OCCO)c1cccc(c1)I 34a_100013085317_100000211926 [0,2,0,0,0,0|2,0,0]=4 7500 B13R1.18 CC(OCCO)c1cccc(c1)I 7a_100013085317_100000211926 [0,2,0,0,0,0|2,0,0]=4 7501 B13R1.18 CC(OCCO)c1cccc(c1)N 34a_100011217120_100000211926 [0,2,0,0,0,0|2,0,0]=4 7502 B13R1.18 CC(OCCO)c1cccc(c1)N 7a_100011217120_100000211926 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.18 CC=CCN(C)c1cccc(c1)Br 2230a_100000219648_100000070051 [0,2,0,0,0,0|2,0,0]=4 7504 B13R1.18 CC=CCN(C)c1cccc(c1)Br 34a_100000219648_100000070051 [0,2,0,0,0,0|2,0,0]=4 7505 B13R1.18 CC=CCN(C)c1cccc(c1)C 2230a_100000219674_100000070051 [0,2,0,0,0,0|2,0,0]=4 7506 B13R1.18 CC=CCN(C)c1cccc(c1)C 34a_100000219674_100000070051 [0,2,0,0,0,0|2,0,0]=4 7507 B13R1.18 CC=CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000070051 [0,2,0,0,0,0|2,0,0]=4 7508 B13R1.18 CC=CCN(C)c1cccc(c1)Cl 34a_100000220044_100000070051 [0,2,0,0,0,0|2,0,0]=4 7509 B13R1.18 CC=CCN(C)c1cccc(c1)F 2230a_100020633736_100000070051 [0,2,0,0,0,0|2,0,0]=4 7510 B13R1.18 CC=CCN(C)c1cccc(c1)F 34a_100020633736_100000070051 [0,2,0,0,0,0|2,0,0]=4 7511 B13R1.18 CC=CCN(C)c1cccc(c1)I 2230a_100000221217_100000070051 [0,2,0,0,0,0|2,0,0]=4 7512 B13R1.18 CC=CCN(C)c1cccc(c1)I 34a_100000221217_100000070051 [0,2,0,0,0,0|2,0,0]=4 7513 B13R1.18 CC=CCN(C)c1cccc(c1)O 2230a_100000756613_100000070051 [0,2,0,0,0,0|2,0,0]=4 7514 B13R1.18 CC=CCN(C)c1cccc(c1)O 34a_100000756613_100000070051 [0,2,0,0,0,0|2,0,0]=4 7515 B13R1.18 CCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210211 [0,2,0,0,0,0|2,0,0]=4 7516 B13R1.18 CCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210211 [0,2,0,0,0,0|2,0,0]=4 7517 B13R1.18 CCCCN(C)c1cccc(c1)Br 34a_100000219648_100000210210 [0,2,0,0,0,0|2,0,0]=4 7518 B13R1.18 CCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210211 [0,2,0,0,0,0|2,0,0]=4 7519 B13R1.18 CCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210211 [0,2,0,0,0,0|2,0,0]=4 7520 B13R1.18 CCCCN(C)c1cccc(c1)C 34a_100000219674_100000210210 [0,2,0,0,0,0|2,0,0]=4 7521 B13R1.18 CCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210211 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.18 CCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210211 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.18 CCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210210 [0,2,0,0,0,0|2,0,0]=4 7524 B13R1.18 CCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210211 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.18 CCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210211 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.18 CCCCN(C)c1cccc(c1)F 34a_100020633736_100000210210 [0,2,0,0,0,0|2,0,0]=4 7527 B13R1.18 CCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210211 [0,2,0,0,0,0|2,0,0]=4 7528 B13R1.18 CCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210211 [0,2,0,0,0,0|2,0,0]=4 7529 B13R1.18 CCCCN(C)c1cccc(c1)I 34a_100000221217_100000210210 [0,2,0,0,0,0|2,0,0]=4 7530 B13R1.18 CCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 7531 B13R1.18 CCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210211 [0,2,0,0,0,0|2,0,0]=4 7532 B13R1.18 CCCCN(C)c1cccc(c1)O 34a_100000756613_100000210210 [0,2,0,0,0,0|2,0,0]=4 7533 B13R1.18 CCCNC(C)c1cc(ccn1)Br 269862a_100020643023_100000709912 [0,2,0,0,0,0|2,0,0]=4 7534 B13R1.18 CCCNC(C)c1cc(ccn1)Br 270004a_100020643023_100000709912 [0,2,0,0,0,0|2,0,0]=4 7535 B13R1.18 CCCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210303 [0,2,0,0,0,0|2,0,0]=4 7536 B13R1.18 CCCNC(C)c1cc(ccn1)C 269862a_100020643023_100000728896 [0,2,0,0,0,0|2,0,0]=4 7537 B13R1.18 CCCNC(C)c1cc(ccn1)C 270004a_100020643023_100000728896 [0,2,0,0,0,0|2,0,0]=4 7538 B13R1.18 CCCNC(C)c1cc(ccn1)Cl 269862a_100020643023_100000099826 [0,2,0,0,0,0|2,0,0]=4 7539 B13R1.18 CCCNC(C)c1cc(ccn1)Cl 270004a_100020643023_100000099826 [0,2,0,0,0,0|2,0,0]=4 7540 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,2,0,0,0,0|1,0,0]=3 7541 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,2,0,0,0,0|1,0,0]=3 7542 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,2,0,0,0,0|1,0,0]=3 7543 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,2,0,0,0,0|1,0,0]=3 7544 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,2,0,0,0,0|1,0,0]=3 7545 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,2,0,0,0,0|1,0,0]=3 7546 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,2,0,0,0,0|1,0,0]=3 7547 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,2,0,0,0,0|1,0,0]=3 7548 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,2,0,0,0,0|1,0,0]=3 7549 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,2,0,0,0,0|1,0,0]=3 7550 B13R1.18 CCCNC(C)c1cccc(n1)Br 2230a_200010173468_100000210303 [0,2,0,0,0,0|2,0,0]=4 7551 B13R1.18 CCCNC(C)c1cccc(n1)Br 269862a_100020643023_100009816502 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.18 CCCNC(C)c1cccc(n1)C 2230a_100011877385_100000210303 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.18 CCCNC(C)c1cccc(n1)C 269862a_100020643023_100011877301 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.18 CCCNC(C)c1cccc(n1)Cl 269862a_100020643023_100000085735 [0,2,0,0,0,0|2,0,0]=4 7555 B13R1.18 CCCNC(C)c1cccc(n1)F 269862a_100020643023_100000092306 [0,2,0,0,0,0|2,0,0]=4 7556 B13R1.18 CCCNC(C)c1ccnc(c1)Br 269862a_100020643023_100010177706 [0,2,0,0,0,0|2,0,0]=4 7557 B13R1.18 CCCNC(C)c1ccnc(c1)C 269862a_100020643023_100011998260 [0,2,0,0,0,0|2,0,0]=4 7558 B13R1.18 CCCNC(C)c1ccnc(c1)Cl 269862a_100020643023_100000685609 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.18 CCCNC(C)c1cncc(c1)Br 269862a_100020643023_100011216243 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.18 CCCNC(C)c1cncc(c1)C 269862a_100020643023_100000702010 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.18 CCCNC(C)c1cncc(c1)F 269862a_100020643023_100000758212 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.18 CCCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000210303 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.18 CCCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000210303 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,2,0,0,0,0|1,0,0]=3 7565 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,2,0,0,0,0|1,0,0]=3 7566 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,2,0,0,0,0|1,0,0]=3 7567 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,2,0,0,0,0|1,0,0]=3 7568 B13R1.18 CCCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000210303 [0,2,0,0,0,0|2,0,0]=4 7569 B13R1.18 CCCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210303 [0,2,0,0,0,0|2,0,0]=4 7570 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,2,0,0,0,0|1,0,0]=3 7571 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,2,0,0,0,0|1,0,0]=3 7572 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,2,0,0,0,0|1,0,0]=3 7573 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,2,0,0,0,0|1,0,0]=3 7574 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,2,0,0,0,0|1,0,0]=3 7575 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,2,0,0,0,0|1,0,0]=3 7576 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,2,0,0,0,0|1,0,0]=3 7577 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,2,0,0,0,0|1,0,0]=3 7578 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,2,0,0,0,0|1,0,0]=3 7579 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,2,0,0,0,0|1,0,0]=3 7580 B13R1.18 CCCOC(C)c1cccc(n1)Br 7a_100009820884_100000210303 [0,2,0,0,0,0|2,0,0]=4 7581 B13R1.18 CCCOC(C)c1cccc(n1)C 34a_200011877368_100000210303 [0,2,0,0,0,0|2,0,0]=4 7582 B13R1.18 CCCOC(C)c1cccc(n1)C 7a_200011877368_100000210303 [0,2,0,0,0,0|2,0,0]=4 7583 B13R1.18 CCCOC(C)c1cncc(c1)Br 34a_100012351597_100000210303 [0,2,0,0,0,0|2,0,0]=4 7584 B13R1.18 CCCOC(C)c1cncc(c1)Br 7a_100012351597_100000210303 [0,2,0,0,0,0|2,0,0]=4 7585 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,2,0,0,0,0|1,0,0]=3 7586 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,2,0,0,0,0|1,0,0]=3 7587 B13R1.18 CCNCC(=O)c1cccc(c1)Br 2230a_100015525214_100000212080 [0,2,0,0,0,0|1,0,1]=4 7588 B13R1.18 CCNCC(=O)c1cccc(c1)C 2230a_100015525214_100000739480 [0,2,0,0,0,0|1,0,1]=4 7589 B13R1.18 CCNCC(=O)c1cccc(c1)Cl 2230a_100015525214_100000211444 [0,2,0,0,0,0|1,0,1]=4 7590 B13R1.18 CCNCC(=O)c1cccc(c1)F 2230a_100015525214_100000215616 [0,2,0,0,0,0|1,0,1]=4 7591 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [0,2,0,0,0,0|1,0,0]=3 7592 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [0,2,0,0,0,0|1,0,0]=3 7593 B13R1.18 CCNN=C(C)c1cccc(c1)Br 4a_100000756455_100000210093 [0,2,0,0,0,0|1,0,1]=4 7594 B13R1.18 CCNN=C(C)c1cccc(c1)C 4a_100000756455_100000211476 [0,2,0,0,0,0|1,0,1]=4 7595 B13R1.18 CCNN=C(C)c1cccc(c1)Cl 4a_100000756455_200000210964 [0,2,0,0,0,0|1,0,1]=4 7596 B13R1.18 CCNN=C(C)c1cccc(c1)F 4a_100000756455_100000187083 [0,2,0,0,0,0|1,0,1]=4 7597 B13R1.18 CCNN=C(C)c1cccc(c1)I 4a_100000756455_100011356966 [0,2,0,0,0,0|1,0,1]=4 7598 B13R1.18 CCNN=C(C)c1cccc(c1)O 4a_100000756455_100000211620 [0,2,0,0,0,0|1,0,1]=4 7599 B13R1.18 CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 7600 B13R1.18 CCOCN(C)c1cccc(c1)Br 269982a_100000219648_100000739092 [0,2,0,0,0,0|2,0,0]=4 7601 B13R1.18 CCOCN(C)c1cccc(c1)C 269982a_100000219674_100000739092 [0,2,0,0,0,0|2,0,0]=4 7602 B13R1.18 CCOCN(C)c1cccc(c1)Cl 269982a_100000220044_100000739092 [0,2,0,0,0,0|2,0,0]=4 7603 B13R1.18 CCOCN(C)c1cccc(c1)F 269982a_100020633736_100000739092 [0,2,0,0,0,0|2,0,0]=4 7604 B13R1.18 CCOCN(C)c1cccc(c1)I 269982a_100000221217_100000739092 [0,2,0,0,0,0|2,0,0]=4 7605 B13R1.18 CCOCN(C)c1cccc(c1)O 269982a_100000756613_100000739092 [0,2,0,0,0,0|2,0,0]=4 7606 B13R1.18 CCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 7607 B13R1.18 CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 7608 B13R1.18 CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 7609 B13R1.18 CN(CCCF)c1cccc(c1)Br 2230a_100000219648_100011934791 [0,2,0,0,0,0|2,0,0]=4 7610 B13R1.18 CN(CCCF)c1cccc(c1)Br 269982a_100000219648_100011934791 [0,2,0,0,0,0|2,0,0]=4 7611 B13R1.18 CN(CCCF)c1cccc(c1)Br 34a_100000219648_100011934791 [0,2,0,0,0,0|2,0,0]=4 7612 B13R1.18 CN(CCCF)c1cccc(c1)Cl 2230a_100000220044_100011934791 [0,2,0,0,0,0|2,0,0]=4 7613 B13R1.18 CN(CCCF)c1cccc(c1)Cl 269982a_100000220044_100011934791 [0,2,0,0,0,0|2,0,0]=4 7614 B13R1.18 CN(CCCF)c1cccc(c1)Cl 34a_100000220044_100011934791 [0,2,0,0,0,0|2,0,0]=4 7615 B13R1.18 CN(CCCF)c1cccc(c1)F 2230a_100020633736_100011934791 [0,2,0,0,0,0|2,0,0]=4 7616 B13R1.18 CN(CCCF)c1cccc(c1)F 269982a_100020633736_100011934791 [0,2,0,0,0,0|2,0,0]=4 7617 B13R1.18 CN(CCCF)c1cccc(c1)F 34a_100020633736_100011934791 [0,2,0,0,0,0|2,0,0]=4 7618 B13R1.18 CN(CCCF)c1cccc(c1)I 2230a_100000221217_100011934791 [0,2,0,0,0,0|2,0,0]=4 7619 B13R1.18 CN(CCCF)c1cccc(c1)I 269982a_100000221217_100011934791 [0,2,0,0,0,0|2,0,0]=4 7620 B13R1.18 CN(CCCF)c1cccc(c1)I 34a_100000221217_100011934791 [0,2,0,0,0,0|2,0,0]=4 7621 B13R1.18 CN(CCCF)c1cccc(c1)O 2230a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 7622 B13R1.18 CN(CCCF)c1cccc(c1)O 269982a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 7623 B13R1.18 CN(CCCF)c1cccc(c1)O 34a_100000756613_100011934791 [0,2,0,0,0,0|2,0,0]=4 7624 B13R1.18 CN(CCCO)c1cccc(c1)Br 2230a_100000219648_100000230001 [0,2,0,0,0,0|2,0,0]=4 7625 B13R1.18 CN(CCCO)c1cccc(c1)Br 269982a_100000219648_100011215043 [0,2,0,0,0,0|2,0,0]=4 7626 B13R1.18 CN(CCCO)c1cccc(c1)Br 34a_100000219648_100000230001 [0,2,0,0,0,0|2,0,0]=4 7627 B13R1.18 CN(CCCO)c1cccc(c1)Cl 2230a_100000220044_100000230001 [0,2,0,0,0,0|2,0,0]=4 7628 B13R1.18 CN(CCCO)c1cccc(c1)Cl 269982a_100000220044_100011215043 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.18 CN(CCCO)c1cccc(c1)Cl 34a_100000220044_100000230001 [0,2,0,0,0,0|2,0,0]=4 7630 B13R1.18 CN(CCCO)c1cccc(c1)F 2230a_100020633736_100000230001 [0,2,0,0,0,0|2,0,0]=4 7631 B13R1.18 CN(CCCO)c1cccc(c1)F 269982a_100020633736_100011215043 [0,2,0,0,0,0|2,0,0]=4 7632 B13R1.18 CN(CCCO)c1cccc(c1)F 34a_100020633736_100000230001 [0,2,0,0,0,0|2,0,0]=4 7633 B13R1.18 CN(CCCO)c1cccc(c1)I 2230a_100000221217_100000230001 [0,2,0,0,0,0|2,0,0]=4 7634 B13R1.18 CN(CCCO)c1cccc(c1)I 269982a_100000221217_100011215043 [0,2,0,0,0,0|2,0,0]=4 7635 B13R1.18 CN(CCCO)c1cccc(c1)I 34a_100000221217_100000230001 [0,2,0,0,0,0|2,0,0]=4 7636 B13R1.18 CN(CCCO)c1cccc(c1)O 2230a_100000756613_100000230001 [0,2,0,0,0,0|2,0,0]=4 7637 B13R1.18 CN(CCCO)c1cccc(c1)O 269982a_100000756613_100011215043 [0,2,0,0,0,0|2,0,0]=4 7638 B13R1.18 CN(CCCO)c1cccc(c1)O 34a_100000756613_100000230001 [0,2,0,0,0,0|2,0,0]=4 7639 B13R1.18 COCCC(N)c1cccc(c1)Br 34a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 7640 B13R1.18 COCCC(N)c1cccc(c1)C 34a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 7641 B13R1.18 COCCC(N)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 7642 B13R1.18 COCCC(N)c1cccc(c1)F 34a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 7643 B13R1.18 COCCN(C)c1cccc(c1)Br 2230a_100000219648_100011201679 [0,2,0,0,0,0|2,0,0]=4 7644 B13R1.18 COCCN(C)c1cccc(c1)Br 269982a_100000219648_100000233755 [0,2,0,0,0,0|2,0,0]=4 7645 B13R1.18 COCCN(C)c1cccc(c1)Br 34a_100000219648_100011201679 [0,2,0,0,0,0|2,0,0]=4 7646 B13R1.18 COCCN(C)c1cccc(c1)C 2230a_100000219674_100011201679 [0,2,0,0,0,0|2,0,0]=4 7647 B13R1.18 COCCN(C)c1cccc(c1)C 269982a_100000219674_100000233755 [0,2,0,0,0,0|2,0,0]=4 7648 B13R1.18 COCCN(C)c1cccc(c1)C 34a_100000219674_100011201679 [0,2,0,0,0,0|2,0,0]=4 7649 B13R1.18 COCCN(C)c1cccc(c1)Cl 2230a_100000220044_100011201679 [0,2,0,0,0,0|2,0,0]=4 7650 B13R1.18 COCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000233755 [0,2,0,0,0,0|2,0,0]=4 7651 B13R1.18 COCCN(C)c1cccc(c1)Cl 34a_100000220044_100011201679 [0,2,0,0,0,0|2,0,0]=4 7652 B13R1.18 COCCN(C)c1cccc(c1)F 2230a_100020633736_100011201679 [0,2,0,0,0,0|2,0,0]=4 7653 B13R1.18 COCCN(C)c1cccc(c1)F 269982a_100020633736_100000233755 [0,2,0,0,0,0|2,0,0]=4 7654 B13R1.18 COCCN(C)c1cccc(c1)F 34a_100020633736_100011201679 [0,2,0,0,0,0|2,0,0]=4 7655 B13R1.18 COCCN(C)c1cccc(c1)I 2230a_100000221217_100011201679 [0,2,0,0,0,0|2,0,0]=4 7656 B13R1.18 COCCN(C)c1cccc(c1)I 269982a_100000221217_100000233755 [0,2,0,0,0,0|2,0,0]=4 7657 B13R1.18 COCCN(C)c1cccc(c1)I 34a_100000221217_100011201679 [0,2,0,0,0,0|2,0,0]=4 7658 B13R1.18 COCCN(C)c1cccc(c1)O 2230a_100000756613_100011201679 [0,2,0,0,0,0|2,0,0]=4 7659 B13R1.18 COCCN(C)c1cccc(c1)O 269982a_100000756613_100000233755 [0,2,0,0,0,0|2,0,0]=4 7660 B13R1.18 COCCN(C)c1cccc(c1)O 34a_100000756613_100011201679 [0,2,0,0,0,0|2,0,0]=4 7661 B13R1.18 COCNC(C)c1cc(ccn1)C 2230a_100011933787_100000766300 [0,2,0,0,0,0|2,0,0]=4 7662 B13R1.18 COCNC(C)c1cccc(c1)Br 2230a_100020642005_100000766300 [0,2,0,0,0,0|1,0,0]=3 7663 B13R1.18 COCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000766300 [0,2,0,0,0,0|1,0,0]=3 7664 B13R1.18 COCNC(C)c1cccc(c1)O 2230a_100000740644_100000766300 [0,2,0,0,0,0|1,0,0]=3 7665 B13R1.18 COCNC(C)c1cccc(n1)Br 2230a_200010173468_100000766300 [0,2,0,0,0,0|2,0,0]=4 7666 B13R1.18 COCNC(C)c1cccc(n1)C 2230a_100011877385_100000766300 [0,2,0,0,0,0|2,0,0]=4 7667 B13R1.18 COCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000766300 [0,2,0,0,0,0|2,0,0]=4 7668 B13R1.18 COCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000766300 [0,2,0,0,0,0|1,0,0]=3 7669 B13R1.18 COCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000766300 [0,2,0,0,0,0|1,0,0]=3 7670 B13R1.18 COCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000766300 [0,2,0,0,0,0|2,0,0]=4 7671 B13R1.18 CSCCN(C)c1cccc(c1)Br 2230a_100000219648_100000751147 [0,2,0,0,0,0|2,0,0]=4 7672 B13R1.18 CSCCN(C)c1cccc(c1)Br 269982a_100000219648_100000212216 [0,2,0,0,0,0|2,0,0]=4 7673 B13R1.18 CSCCN(C)c1cccc(c1)Br 34a_100000219648_100000212216 [0,2,0,0,0,0|2,0,0]=4 7674 B13R1.18 CSCCN(C)c1cccc(c1)C 2230a_100000219674_100000751147 [0,2,0,0,0,0|2,0,0]=4 7675 B13R1.18 CSCCN(C)c1cccc(c1)C 269982a_100000219674_100000212216 [0,2,0,0,0,0|2,0,0]=4 7676 B13R1.18 CSCCN(C)c1cccc(c1)C 34a_100000219674_100000212216 [0,2,0,0,0,0|2,0,0]=4 7677 B13R1.18 CSCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000751147 [0,2,0,0,0,0|2,0,0]=4 7678 B13R1.18 CSCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000212216 [0,2,0,0,0,0|2,0,0]=4 7679 B13R1.18 CSCCN(C)c1cccc(c1)Cl 34a_100000220044_100000212216 [0,2,0,0,0,0|2,0,0]=4 7680 B13R1.18 CSCCN(C)c1cccc(c1)F 2230a_100020633736_100000751147 [0,2,0,0,0,0|2,0,0]=4 7681 B13R1.18 CSCCN(C)c1cccc(c1)F 269982a_100020633736_100000212216 [0,2,0,0,0,0|2,0,0]=4 7682 B13R1.18 CSCCN(C)c1cccc(c1)F 34a_100020633736_100000212216 [0,2,0,0,0,0|2,0,0]=4 7683 B13R1.18 CSCCN(C)c1cccc(c1)I 2230a_100000221217_100000751147 [0,2,0,0,0,0|2,0,0]=4 7684 B13R1.18 CSCCN(C)c1cccc(c1)I 269982a_100000221217_100000212216 [0,2,0,0,0,0|2,0,0]=4 7685 B13R1.18 CSCCN(C)c1cccc(c1)I 34a_100000221217_100000212216 [0,2,0,0,0,0|2,0,0]=4 7686 B13R1.18 CSCCN(C)c1cccc(c1)O 2230a_100000756613_100000751147 [0,2,0,0,0,0|2,0,0]=4 7687 B13R1.18 CSCCN(C)c1cccc(c1)O 269982a_100000756613_100000212216 [0,2,0,0,0,0|2,0,0]=4 7688 B13R1.18 CSCCN(C)c1cccc(c1)O 34a_100000756613_100000212216 [0,2,0,0,0,0|2,0,0]=4 7689 B13R1.18 CSCNC(C)c1cc(ccn1)C 2230a_100011933787_100011218213 [0,2,0,0,0,0|2,0,0]=4 7690 B13R1.18 CSCNC(C)c1cccc(c1)Br 2230a_100020642005_100011218213 [0,2,0,0,0,0|1,0,0]=3 7691 B13R1.18 CSCNC(C)c1cccc(c1)Cl 2230a_100102723534_100011218213 [0,2,0,0,0,0|1,0,0]=3 7692 B13R1.18 CSCNC(C)c1cccc(c1)Cl 34a_100102723534_100011218213 [0,2,0,0,0,0|1,0,0]=3 7693 B13R1.18 CSCNC(C)c1cccc(c1)O 2230a_100000740644_100011218213 [0,2,0,0,0,0|1,0,0]=3 7694 B13R1.18 CSCNC(C)c1cccc(n1)Br 2230a_200010173468_100011218213 [0,2,0,0,0,0|2,0,0]=4 7695 B13R1.18 CSCNC(C)c1cccc(n1)C 2230a_100011877385_100011218213 [0,2,0,0,0,0|2,0,0]=4 7696 B13R1.18 CSCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100011218213 [0,2,0,0,0,0|2,0,0]=4 7697 B13R1.18 CSCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100011218213 [0,2,0,0,0,0|2,0,0]=4 7698 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100011218213 [0,2,0,0,0,0|1,0,0]=3 7699 B13R1.18 CSCN[C@H](C)c1cccc(c1)C 34a_100000698126_100011218213 [0,2,0,0,0,0|1,0,0]=3 7700 B13R1.18 CSCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100011218213 [0,2,0,0,0,0|1,0,0]=3 7701 B13R1.18 CSCN[C@H](C)c1cccc(c1)F 34a_100015193778_100011218213 [0,2,0,0,0,0|1,0,0]=3 7702 B13R1.18 CSCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100011218213 [0,2,0,0,0,0|2,0,0]=4 7703 B13R1.18 CSCOC(C)c1cccc(c1)Br 34a_100000246457_100011218213 [0,2,0,0,0,0|1,0,0]=3 7704 B13R1.18 CSCOC(C)c1cccc(c1)C 34a_100000757818_100011218213 [0,2,0,0,0,0|1,0,0]=3 7705 B13R1.18 CSCOC(C)c1cccc(c1)F 34a_100000744526_100011218213 [0,2,0,0,0,0|1,0,0]=3 7706 B13R1.18 CSCOC(C)c1cccc(c1)I 34a_100013085317_100011218213 [0,2,0,0,0,0|1,0,0]=3 7707 B13R1.18 CSCOC(C)c1cccc(c1)N 34a_100011217120_100011218213 [0,2,0,0,0,0|1,0,0]=3 7708 B13R1.18 CSCOC(C)c1cccc(n1)C 34a_200011877368_100011218213 [0,2,0,0,0,0|2,0,0]=4 7709 B13R1.18 CSCOC(C)c1cncc(c1)Br 34a_100012351597_100011218213 [0,2,0,0,0,0|2,0,0]=4 7710 B13R1.18 CSCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011218213 [0,2,0,0,0,0|1,0,0]=3 7711 B13R1.18 C[C@@H](NCC#N)c1cccc(c1)F 2230a_100015193778_100011215382 [0,2,0,0,0,0|2,0,0]=4 7712 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)F 2230a_100015193778_200015260668 [0,2,0,0,0,0|2,0,0]=4 7713 B13R1.18 C[C@@H](NCC=O)c1cccc(c1)F 34a_100015193778_200009817547 [0,2,0,0,0,0|2,0,0]=4 7714 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 2230a_100015193778_100011217306 [0,2,0,0,0,0|2,0,0]=4 7715 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 34a_100015193778_100011217306 [0,2,0,0,0,0|2,0,0]=4 7716 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 2230a_100015193778_100000211926 [0,2,0,0,0,0|2,0,0]=4 7717 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 34a_100015193778_100000211926 [0,2,0,0,0,0|2,0,0]=4 7718 B13R1.18 C[C@@H](OCC#N)c1cccc(c1)Cl 7a_100000747380_100011215382 [0,2,0,0,0,0|2,0,0]=4 7719 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Cl 34a_100000747380_200009817547 [0,2,0,0,0,0|2,0,0]=4 7720 B13R1.18 C[C@@H](OCC=O)c1cccc(c1)Cl 7a_100000747380_200015260668 [0,2,0,0,0,0|2,0,0]=4 7721 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 34a_100000747380_100011217306 [0,2,0,0,0,0|2,0,0]=4 7722 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 7a_100000747380_100011217306 [0,2,0,0,0,0|2,0,0]=4 7723 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 34a_100000747380_100000211926 [0,2,0,0,0,0|2,0,0]=4 7724 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 7a_100000747380_100000211926 [0,2,0,0,0,0|2,0,0]=4 7725 B13R1.18 Cc1cccc(c1)C(C)NCCF 269862a_100000724931_100000211476 [0,2,0,0,0,0|2,0,0]=4 7726 B13R1.18 Cc1cccc(c1)C(C)NCCO 269862a_100000210304_100000211476 [0,2,0,0,0,0|2,0,0]=4 7727 B13R1.18 Cc1cccc(c1)C(C)OCC#N 7a_100000757818_100011215382 [0,2,0,0,0,0|2,0,0]=4 7728 B13R1.18 Cc1cccc(c1)C(C)OCC=O 34a_100000757818_200009817547 [0,2,0,0,0,0|2,0,0]=4 7729 B13R1.18 Cc1cccc(c1)C(C)OCC=O 7a_100000757818_200015260668 [0,2,0,0,0,0|2,0,0]=4 7730 B13R1.18 Cc1cccc(c1)C(C)OCCF 34a_100000757818_100011217306 [0,2,0,0,0,0|2,0,0]=4 7731 B13R1.18 Cc1cccc(c1)C(C)OCCF 7a_100000757818_100011217306 [0,2,0,0,0,0|2,0,0]=4 7732 B13R1.18 Cc1cccc(c1)C(C)OCCO 34a_100000757818_100000211926 [0,2,0,0,0,0|2,0,0]=4 7733 B13R1.18 Cc1cccc(c1)C(C)OCCO 7a_100000757818_100000211926 [0,2,0,0,0,0|2,0,0]=4 7734 B13R1.18 Cc1cccc(c1)C(N)CCO[13CH3] 34a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 7735 B13R1.18 Cc1cccc(c1)N(C)CCCF 2230a_100000219674_100011934791 [0,2,0,0,0,0|2,0,0]=4 7736 B13R1.18 Cc1cccc(c1)N(C)CCCF 269982a_100000219674_100011934791 [0,2,0,0,0,0|2,0,0]=4 7737 B13R1.18 Cc1cccc(c1)N(C)CCCF 34a_100000219674_100011934791 [0,2,0,0,0,0|2,0,0]=4 7738 B13R1.18 Cc1cccc(c1)N(C)CCCO 2230a_100000219674_100000230001 [0,2,0,0,0,0|2,0,0]=4 7739 B13R1.18 Cc1cccc(c1)N(C)CCCO 269982a_100000219674_100011215043 [0,2,0,0,0,0|2,0,0]=4 7740 B13R1.18 Cc1cccc(c1)N(C)CCCO 34a_100000219674_100000230001 [0,2,0,0,0,0|2,0,0]=4 7741 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC#N 2230a_100000698126_100011215382 [0,2,0,0,0,0|2,0,0]=4 7742 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 2230a_100000698126_200015260668 [0,2,0,0,0,0|2,0,0]=4 7743 B13R1.18 Cc1cccc(c1)[C@@H](C)NCC=O 34a_100000698126_200009817547 [0,2,0,0,0,0|2,0,0]=4 7744 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 2230a_100000698126_100011217306 [0,2,0,0,0,0|2,0,0]=4 7745 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 34a_100000698126_100011217306 [0,2,0,0,0,0|2,0,0]=4 7746 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 2230a_100000698126_100000211926 [0,2,0,0,0,0|2,0,0]=4 7747 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 34a_100000698126_100000211926 [0,2,0,0,0,0|2,0,0]=4 7748 B13R1.18 Cc1cccc(c1)[C@H](N)COCF 34a_100009818812_100015361967 [0,2,0,0,0,0|2,0,0]=4 7749 B13R1.18 NC(COCF)c1cccc(c1)Br 34a_100000690078_100015361967 [0,2,0,0,0,0|2,0,0]=4 7750 B13R1.18 N[C@@H](COCF)c1cccc(c1)Cl 34a_100032004910_100015361967 [0,2,0,0,0,0|2,0,0]=4 7751 B13R1.18 N[C@H](COCF)c1cccc(c1)F 34a_100020641251_100015361967 [0,2,0,0,0,0|2,0,0]=4 7752 B13R1.18 Oc1cccc(c1)C(O)CNCF 34a_100020657549_100015361967 [0,2,0,0,0,0|1,0,0]=3 7753 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Br 34a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 7754 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 7755 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)F 34a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 7756 B13R1.22 CCC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_100000210202 [0,2,0,0,0,0|1,0,1]=4 7757 B13R1.22 CCC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_100000210202 [0,2,0,0,0,0|1,0,1]=4 7758 B13R1.22 CCC(=O)C(C)c1cccc(c1)F 1458a_100000762896_100000210202 [0,2,0,0,0,0|1,0,1]=4 7759 B13R1.22 CCC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_100000210202 [0,2,0,0,0,0|1,0,1]=4 7760 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 2230a_100000219648_100000758301 [0,2,0,0,0,0|2,0,0]=4 7761 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100000758301 [0,2,0,0,0,0|2,0,0]=4 7762 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 34a_100000219648_100011215416 [0,2,0,0,0,0|2,0,0]=4 7763 B13R1.22 CCC(C)N(C)c1cccc(c1)C 2230a_100000219674_100000758301 [0,2,0,0,0,0|2,0,0]=4 7764 B13R1.22 CCC(C)N(C)c1cccc(c1)C 269982a_100000219674_100000758301 [0,2,0,0,0,0|2,0,0]=4 7765 B13R1.22 CCC(C)N(C)c1cccc(c1)C 34a_100000219674_100011215416 [0,2,0,0,0,0|2,0,0]=4 7766 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100000758301 [0,2,0,0,0,0|2,0,0]=4 7767 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100000758301 [0,2,0,0,0,0|2,0,0]=4 7768 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 34a_100000220044_100011215416 [0,2,0,0,0,0|2,0,0]=4 7769 B13R1.22 CCC(C)N(C)c1cccc(c1)F 2230a_100020633736_100000758301 [0,2,0,0,0,0|2,0,0]=4 7770 B13R1.22 CCC(C)N(C)c1cccc(c1)F 269982a_100020633736_100000758301 [0,2,0,0,0,0|2,0,0]=4 7771 B13R1.22 CCC(C)N(C)c1cccc(c1)F 34a_100020633736_100011215416 [0,2,0,0,0,0|2,0,0]=4 7772 B13R1.22 CCC(C)N(C)c1cccc(c1)I 2230a_100000221217_100000758301 [0,2,0,0,0,0|2,0,0]=4 7773 B13R1.22 CCC(C)N(C)c1cccc(c1)I 269982a_100000221217_100000758301 [0,2,0,0,0,0|2,0,0]=4 7774 B13R1.22 CCC(C)N(C)c1cccc(c1)I 34a_100000221217_100011215416 [0,2,0,0,0,0|2,0,0]=4 7775 B13R1.22 CCC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000758301 [0,2,0,0,0,0|2,0,0]=4 7776 B13R1.22 CCC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000758301 [0,2,0,0,0,0|2,0,0]=4 7777 B13R1.22 CCC(C)N(C)c1cccc(c1)O 34a_100000756613_100011215416 [0,2,0,0,0,0|2,0,0]=4 7778 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000210202 [0,2,0,0,0,0|2,0,0]=4 7779 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100000204670 [0,2,0,0,0,0|2,0,0]=4 7780 B13R1.22 CCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000210202 [0,2,0,0,0,0|2,0,0]=4 7781 B13R1.22 CCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100000204670 [0,2,0,0,0,0|2,0,0]=4 7782 B13R1.22 CCN(C)C(C)c1cccc(c1)F 34a_100000231114_100000210202 [0,2,0,0,0,0|2,0,0]=4 7783 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 11a_106832991635_100000722698 [0,2,0,0,0,0|0,0,1]=3 7784 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 1626a_100102657272_100000722698 [0,2,0,0,0,0|0,0,1]=3 7785 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 240690a_100102657272_100000722698 [0,2,0,0,0,0|0,0,1]=3 7786 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 527a_100102657272_100000722698 [0,2,0,0,0,0|0,0,1]=3 7787 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 11a_106832991635_100000762818 [0,2,0,0,0,0|0,0,1]=3 7788 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 1626a_100102657272_100000762818 [0,2,0,0,0,0|0,0,1]=3 7789 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 240690a_100102657272_100000762818 [0,2,0,0,0,0|0,0,1]=3 7790 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 527a_100102657272_100000762818 [0,2,0,0,0,0|0,0,1]=3 7791 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,2,0,0,0,0|0,0,1]=3 7792 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,2,0,0,0,0|0,0,1]=3 7793 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,2,0,0,0,0|0,0,1]=3 7794 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,2,0,0,0,0|0,0,1]=3 7795 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,2,0,0,0,0|1,0,1]=4 7796 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,2,0,0,0,0|1,0,1]=4 7797 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,2,0,0,0,0|1,0,1]=4 7798 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_100000219648_100102657272 [0,2,0,0,0,0|1,0,1]=4 7799 B13R1.22 CNC(=O)N(C)c1cccc(c1)Br 512a_106832991638_100000219648 [0,2,0,0,0,0|1,0,1]=4 7800 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_100000219674_100102657272 [0,2,0,0,0,0|1,0,1]=4 7801 B13R1.22 CNC(=O)N(C)c1cccc(c1)C 512a_106832991638_100000219674 [0,2,0,0,0,0|1,0,1]=4 7802 B13R1.22 CNC(=O)N(C)c1cccc(c1)Cl 512a_100000220044_100102657272 [0,2,0,0,0,0|1,0,1]=4 7803 B13R1.22 CNC(=O)N(C)c1cccc(c1)F 512a_100020633736_100102657272 [0,2,0,0,0,0|1,0,1]=4 7804 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_100000221217_100102657272 [0,2,0,0,0,0|1,0,1]=4 7805 B13R1.22 CNC(=O)N(C)c1cccc(c1)I 512a_106832991638_100000221217 [0,2,0,0,0,0|1,0,1]=4 7806 B13R1.22 CNC(=O)N(C)c1cccc(c1)O 512a_100000756613_100102657272 [0,2,0,0,0,0|1,0,1]=4 7807 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,2,0,0,0,0|0,0,1]=3 7808 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,2,0,0,0,0|0,0,1]=3 7809 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,2,0,0,0,0|0,0,1]=3 7810 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,2,0,0,0,0|0,0,1]=3 7811 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 2230a_106832991635_100012349134 [0,2,0,0,0,0|1,0,1]=4 7812 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 34a_100102657272_100012349134 [0,2,0,0,0,0|1,0,1]=4 7813 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 7a_106832991635_100012349134 [0,2,0,0,0,0|1,0,1]=4 7814 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 2230a_106832991635_100000184413 [0,2,0,0,0,0|1,0,1]=4 7815 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 34a_100102657272_100000184413 [0,2,0,0,0,0|1,0,1]=4 7816 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 7a_106832991635_100000184413 [0,2,0,0,0,0|1,0,1]=4 7817 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 2230a_106832991635_100012356231 [0,2,0,0,0,0|1,0,1]=4 7818 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 34a_100102657272_100012356231 [0,2,0,0,0,0|1,0,1]=4 7819 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 7a_106832991635_100012356231 [0,2,0,0,0,0|1,0,1]=4 7820 B13R1.22 COC(=O)C(C)c1cccc(c1)O 271570a_203496583355_100010077029 [0,2,0,0,0,0|1,0,1]=4 7821 B13R1.22 COC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100009879195 [0,2,0,0,0,0|2,0,0]=4 7822 B13R1.22 COC(C)N(C)c1cccc(c1)C 269982a_100000219674_100009879195 [0,2,0,0,0,0|2,0,0]=4 7823 B13R1.22 COC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100009879195 [0,2,0,0,0,0|2,0,0]=4 7824 B13R1.22 COC(C)N(C)c1cccc(c1)F 269982a_100020633736_100009879195 [0,2,0,0,0,0|2,0,0]=4 7825 B13R1.22 COC(C)N(C)c1cccc(c1)I 269982a_100000221217_100009879195 [0,2,0,0,0,0|2,0,0]=4 7826 B13R1.22 COC(C)N(C)c1cccc(c1)O 269982a_100000756613_100009879195 [0,2,0,0,0,0|2,0,0]=4 7827 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)Br 2230a_100000749542_200025704644 [0,2,0,0,0,0|0,0,0]=2 7828 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)Cl 2230a_100000747265_200025704644 [0,2,0,0,0,0|0,0,0]=2 7829 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)F 2230a_100000757675_200025704644 [0,2,0,0,0,0|0,0,0]=2 7830 B13R1.30 CC(C)(CN[13CH3])c1cccc(c1)F 34a_100000757675_200025704644 [0,2,0,0,0,0|0,0,0]=2 7831 B13R1.30 CC(C)(CO[13CH3])c1cccc(c1)Br 34a_200010233077_200025704644 [0,2,0,0,0,0|1,0,0]=3 7832 B13R1.30 CC(C)(CO[13CH3])c1cccc(c1)Br 7a_200010233077_200025704644 [0,2,0,0,0,0|1,0,0]=3 7833 B13R1.30 CCNC(C)(C)c1cccc(c1)Br 2230a_100016995529_100000210202 [0,2,0,0,0,0|2,0,0]=4 7834 B13R1.30 CCNC(C)(C)c1cccc(c1)Cl 2230a_100020605014_100000210202 [0,2,0,0,0,0|2,0,0]=4 7835 B13R1.30 CCNC(C)(C)c1cccc(c1)F 2230a_100016993694_100000210202 [0,2,0,0,0,0|2,0,0]=4 7836 B13R1.30 CCNC(C)(C)c1cccc(c1)F 34a_100016993694_100000210202 [0,2,0,0,0,0|2,0,0]=4 7837 B13R1.30 CCOC(C)(C)c1cccc(c1)Br 34a_100011346009_100000210202 [0,2,0,0,0,0|2,0,0]=4 7838 B13R1.30 CCOC(C)(C)c1cccc(c1)Br 7a_100011346009_100000210202 [0,2,0,0,0,0|2,0,0]=4 7839 B13R1.30 CCOC(C)(C)c1cccc(c1)Cl 34a_100011345980_100000210202 [0,2,0,0,0,0|2,0,0]=4 7840 B13R1.30 CCOC(C)(C)c1cccc(c1)Cl 7a_100011345980_100000210202 [0,2,0,0,0,0|2,0,0]=4 7841 B13R1.30 CCOC(C)(C)c1cccc(c1)F 34a_200011345953_100000210202 [0,2,0,0,0,0|2,0,0]=4 7842 B13R1.30 CCOC(C)(C)c1cccc(c1)F 7a_200011345953_100000210202 [0,2,0,0,0,0|2,0,0]=4 7843 B13R1.30 CNCC(C)(C)c1cccc(c1)Br 2230a_100000749542_200000210301 [0,2,0,0,0,0|0,0,0]=2 7844 B13R1.30 CNCC(C)(C)c1cccc(c1)Cl 2230a_100000747265_200000210301 [0,2,0,0,0,0|0,0,0]=2 7845 B13R1.30 CNCC(C)(C)c1cccc(c1)F 2230a_100000757675_200000210301 [0,2,0,0,0,0|0,0,0]=2 7846 B13R1.30 CNCC(C)(C)c1cccc(c1)F 34a_100000757675_200000210301 [0,2,0,0,0,0|0,0,0]=2 7847 B13R1.30 COCC(C)(C)c1cccc(c1)Br 34a_200010233077_200000210301 [0,2,0,0,0,0|1,0,0]=3 7848 B13R1.30 COCC(C)(C)c1cccc(c1)Br 7a_200010233077_200000210301 [0,2,0,0,0,0|1,0,0]=3 7849 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 2230a_100000219648_100000748629 [0,2,0,0,0,0|2,0,0]=4 7850 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 269982a_100000219648_100000748629 [0,2,0,0,0,0|2,0,0]=4 7851 B13R1.147 C=C(C)CN(C)c1cccc(c1)Br 34a_100000219648_100000748629 [0,2,0,0,0,0|2,0,0]=4 7852 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 2230a_100000219674_100000748629 [0,2,0,0,0,0|2,0,0]=4 7853 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 269982a_100000219674_100000748629 [0,2,0,0,0,0|2,0,0]=4 7854 B13R1.147 C=C(C)CN(C)c1cccc(c1)C 34a_100000219674_100000748629 [0,2,0,0,0,0|2,0,0]=4 7855 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000748629 [0,2,0,0,0,0|2,0,0]=4 7856 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000748629 [0,2,0,0,0,0|2,0,0]=4 7857 B13R1.147 C=C(C)CN(C)c1cccc(c1)Cl 34a_100000220044_100000748629 [0,2,0,0,0,0|2,0,0]=4 7858 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 2230a_100020633736_100000748629 [0,2,0,0,0,0|2,0,0]=4 7859 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 269982a_100020633736_100000748629 [0,2,0,0,0,0|2,0,0]=4 7860 B13R1.147 C=C(C)CN(C)c1cccc(c1)F 34a_100020633736_100000748629 [0,2,0,0,0,0|2,0,0]=4 7861 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 2230a_100000221217_100000748629 [0,2,0,0,0,0|2,0,0]=4 7862 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 269982a_100000221217_100000748629 [0,2,0,0,0,0|2,0,0]=4 7863 B13R1.147 C=C(C)CN(C)c1cccc(c1)I 34a_100000221217_100000748629 [0,2,0,0,0,0|2,0,0]=4 7864 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000748629 [0,2,0,0,0,0|2,0,0]=4 7865 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000748629 [0,2,0,0,0,0|2,0,0]=4 7866 B13R1.147 C=C(C)CN(C)c1cccc(c1)O 34a_100000756613_100000748629 [0,2,0,0,0,0|2,0,0]=4 7867 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,2,0,0,0,0|2,0,0]=4 7868 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 11a_100020642005_100015343762 [0,2,0,0,0,0|2,0,0]=4 7869 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 1626a_100020642005_100015343762 [0,2,0,0,0,0|2,0,0]=4 7870 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 240690a_100020642005_100015343762 [0,2,0,0,0,0|2,0,0]=4 7871 B13R1.147 CC(=O)NC(C)c1cccc(c1)Br 527a_100020642005_100103153847 [0,2,0,0,0,0|2,0,0]=4 7872 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 11a_100102723534_100015343762 [0,2,0,0,0,0|2,0,0]=4 7873 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 1626a_100102723534_100015343762 [0,2,0,0,0,0|2,0,0]=4 7874 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 240690a_100102723534_100015343762 [0,2,0,0,0,0|2,0,0]=4 7875 B13R1.147 CC(=O)NC(C)c1cccc(c1)Cl 527a_100102723534_100103153847 [0,2,0,0,0,0|2,0,0]=4 7876 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100015343762 [0,2,0,0,0,0|2,0,0]=4 7877 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100103153847 [0,2,0,0,0,0|2,0,0]=4 7878 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 11a_100000698126_100015343762 [0,2,0,0,0,0|2,0,0]=4 7879 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 1626a_100000698126_100015343762 [0,2,0,0,0,0|2,0,0]=4 7880 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 240690a_100000698126_100015343762 [0,2,0,0,0,0|2,0,0]=4 7881 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)C 527a_100000698126_100103153847 [0,2,0,0,0,0|2,0,0]=4 7882 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 11a_100015193778_100015343762 [0,2,0,0,0,0|2,0,0]=4 7883 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 1626a_100015193778_100015343762 [0,2,0,0,0,0|2,0,0]=4 7884 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 240690a_100015193778_100015343762 [0,2,0,0,0,0|2,0,0]=4 7885 B13R1.147 CC(=O)N[C@H](C)c1cccc(c1)F 527a_100015193778_100103153847 [0,2,0,0,0,0|2,0,0]=4 7886 B13R1.147 CC(C)CN(C)c1cccc(c1)Br 2230a_100000219648_100000210760 [0,2,0,0,0,0|2,0,0]=4 7887 B13R1.147 CC(C)CN(C)c1cccc(c1)Br 269982a_100000219648_100000210624 [0,2,0,0,0,0|2,0,0]=4 7888 B13R1.147 CC(C)CN(C)c1cccc(c1)Br 34a_100000219648_100000210624 [0,2,0,0,0,0|2,0,0]=4 7889 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000210760 [0,2,0,0,0,0|2,0,0]=4 7890 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 2230a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 7891 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000210624 [0,2,0,0,0,0|2,0,0]=4 7892 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 269982a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 7893 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 34a_100000220044_100000210624 [0,2,0,0,0,0|2,0,0]=4 7894 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 34a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 7895 B13R1.147 CC(C)CN(C)c1cccc(c1)Cl 7a_100015204621_200000210301 [0,2,0,0,0,0|2,0,0]=4 7896 B13R1.147 CC(C)CN(C)c1cccc(c1)F 2230a_100020633736_100000210760 [0,2,0,0,0,0|2,0,0]=4 7897 B13R1.147 CC(C)CN(C)c1cccc(c1)F 269982a_100020633736_100000210624 [0,2,0,0,0,0|2,0,0]=4 7898 B13R1.147 CC(C)CN(C)c1cccc(c1)F 34a_100020633736_100000210624 [0,2,0,0,0,0|2,0,0]=4 7899 B13R1.147 CC(C)CN(C)c1cccc(c1)I 2230a_100000221217_100000210760 [0,2,0,0,0,0|2,0,0]=4 7900 B13R1.147 CC(C)CN(C)c1cccc(c1)I 269982a_100000221217_100000210624 [0,2,0,0,0,0|2,0,0]=4 7901 B13R1.147 CC(C)CN(C)c1cccc(c1)I 34a_100000221217_100000210624 [0,2,0,0,0,0|2,0,0]=4 7902 B13R1.147 CC(C)CN(C)c1cccc(c1)O 2230a_100000756613_100000210760 [0,2,0,0,0,0|2,0,0]=4 7903 B13R1.147 CC(C)CN(C)c1cccc(c1)O 269982a_100000756613_100000210624 [0,2,0,0,0,0|2,0,0]=4 7904 B13R1.147 CC(C)CN(C)c1cccc(c1)O 34a_100000756613_100000210624 [0,2,0,0,0,0|2,0,0]=4 7905 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 2230a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 7906 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 269982a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 7907 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 34a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 7908 B13R1.147 CC(C)CN([13CH3])c1cccc(c1)Cl 7a_100015204621_200025704644 [0,2,0,0,0,0|2,0,0]=4 7909 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [0,2,0,0,0,0|2,0,0]=4 7910 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [0,2,0,0,0,0|2,0,0]=4 7911 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [0,2,0,0,0,0|2,0,0]=4 7912 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [0,2,0,0,0,0|2,0,0]=4 7913 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [0,2,0,0,0,0|2,0,0]=4 7914 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [0,2,0,0,0,0|2,0,0]=4 7915 B13R1.147 CC(C)NC(C)c1cccc(c1)Br 2230a_100020642005_100000210206 [0,2,0,0,0,0|2,0,0]=4 7916 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 2230a_100102723534_100000210206 [0,2,0,0,0,0|2,0,0]=4 7917 B13R1.147 CC(C)NC(C)c1cccc(c1)Cl 34a_100102723534_100000210206 [0,2,0,0,0,0|2,0,0]=4 7918 B13R1.147 CC(C)NC(C)c1cccc(c1)O 2230a_100000740644_100000210206 [0,2,0,0,0,0|2,0,0]=4 7919 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210206 [0,2,0,0,0,0|2,0,0]=4 7920 B13R1.147 CC(C)N[C@H](C)c1cccc(c1)F 34a_100015193778_100000210206 [0,2,0,0,0,0|2,0,0]=4 7921 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100000210206 [0,2,0,0,0,0|2,0,0]=4 7922 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000210206 [0,2,0,0,0,0|2,0,0]=4 7923 B13R1.147 CC(C)OC(C)c1cccc(c1)F 34a_100000744526_100000210206 [0,2,0,0,0,0|2,0,0]=4 7924 B13R1.147 CC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000210206 [0,2,0,0,0,0|2,0,0]=4 7925 B13R1.147 CC(C)OC(C)c1cccc(c1)I 34a_100013085317_100000210206 [0,2,0,0,0,0|2,0,0]=4 7926 B13R1.147 CC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000210206 [0,2,0,0,0,0|2,0,0]=4 7927 B13R1.147 CC(C)OC(C)c1cccc(c1)N 34a_100011217120_100000210206 [0,2,0,0,0,0|2,0,0]=4 7928 B13R1.147 CC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000210206 [0,2,0,0,0,0|2,0,0]=4 7929 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210206 [0,2,0,0,0,0|2,0,0]=4 7930 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210206 [0,2,0,0,0,0|2,0,0]=4 7931 B13R1.147 CC(O)CN(C)c1cccc(c1)Br 2230a_100000219648_100011218427 [0,2,0,0,0,0|2,0,0]=4 7932 B13R1.147 CC(O)CN(C)c1cccc(c1)Br 269982a_100000219648_100011218427 [0,2,0,0,0,0|2,0,0]=4 7933 B13R1.147 CC(O)CN(C)c1cccc(c1)Br 34a_100000219648_100011218427 [0,2,0,0,0,0|2,0,0]=4 7934 B13R1.147 CC(O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100011218427 [0,2,0,0,0,0|2,0,0]=4 7935 B13R1.147 CC(O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100011218427 [0,2,0,0,0,0|2,0,0]=4 7936 B13R1.147 CC(O)CN(C)c1cccc(c1)Cl 34a_100000220044_100011218427 [0,2,0,0,0,0|2,0,0]=4 7937 B13R1.147 CC(O)CN(C)c1cccc(c1)F 2230a_100020633736_100011218427 [0,2,0,0,0,0|2,0,0]=4 7938 B13R1.147 CC(O)CN(C)c1cccc(c1)F 269982a_100020633736_100011218427 [0,2,0,0,0,0|2,0,0]=4 7939 B13R1.147 CC(O)CN(C)c1cccc(c1)F 34a_100020633736_100011218427 [0,2,0,0,0,0|2,0,0]=4 7940 B13R1.147 CC(O)CN(C)c1cccc(c1)I 2230a_100000221217_100011218427 [0,2,0,0,0,0|2,0,0]=4 7941 B13R1.147 CC(O)CN(C)c1cccc(c1)I 269982a_100000221217_100011218427 [0,2,0,0,0,0|2,0,0]=4 7942 B13R1.147 CC(O)CN(C)c1cccc(c1)I 34a_100000221217_100011218427 [0,2,0,0,0,0|2,0,0]=4 7943 B13R1.147 CC(O)CN(C)c1cccc(c1)O 2230a_100000756613_100011218427 [0,2,0,0,0,0|2,0,0]=4 7944 B13R1.147 CC(O)CN(C)c1cccc(c1)O 269982a_100000756613_100011218427 [0,2,0,0,0,0|2,0,0]=4 7945 B13R1.147 CC(O)CN(C)c1cccc(c1)O 34a_100000756613_100011218427 [0,2,0,0,0,0|2,0,0]=4 7946 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 2230a_100102631434_100000212080 [0,2,0,0,0,0|1,0,1]=4 7947 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 269982a_100102631434_100000212080 [0,2,0,0,0,0|1,0,1]=4 7948 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 2230a_100102631434_100000211444 [0,2,0,0,0,0|1,0,1]=4 7949 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 269982a_100102631434_100000211444 [0,2,0,0,0,0|1,0,1]=4 7950 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 2230a_100102631434_100000215616 [0,2,0,0,0,0|1,0,1]=4 7951 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 269982a_100102631434_100000215616 [0,2,0,0,0,0|1,0,1]=4 7952 B13R1.147 CN(C)CC(=O)c1cccc(c1)O 269982a_100102631434_100009813753 [0,2,0,0,0,0|1,0,1]=4 7953 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [0,2,0,0,0,0|1,0,0]=3 7954 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [0,2,0,0,0,0|1,0,0]=3 7955 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [0,2,0,0,0,0|1,0,0]=3 7956 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [0,2,0,0,0,0|1,0,0]=3 7957 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [0,2,0,0,0,0|1,0,0]=3 7958 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [0,2,0,0,0,0|1,0,0]=3 7959 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [0,2,0,0,0,0|1,0,0]=3 7960 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [0,2,0,0,0,0|1,0,0]=3 7961 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Br 2230a_100000219648_100009817552 [0,2,0,0,0,0|2,0,0]=4 7962 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Br 269982a_100000219648_100009817552 [0,2,0,0,0,0|2,0,0]=4 7963 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Br 34a_100000219648_100009817552 [0,2,0,0,0,0|2,0,0]=4 7964 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100009817552 [0,2,0,0,0,0|2,0,0]=4 7965 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100009817552 [0,2,0,0,0,0|2,0,0]=4 7966 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)Cl 34a_100000220044_100009817552 [0,2,0,0,0,0|2,0,0]=4 7967 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)F 2230a_100020633736_100009817552 [0,2,0,0,0,0|2,0,0]=4 7968 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)F 269982a_100020633736_100009817552 [0,2,0,0,0,0|2,0,0]=4 7969 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)F 34a_100020633736_100009817552 [0,2,0,0,0,0|2,0,0]=4 7970 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)I 2230a_100000221217_100009817552 [0,2,0,0,0,0|2,0,0]=4 7971 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)I 269982a_100000221217_100009817552 [0,2,0,0,0,0|2,0,0]=4 7972 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)I 34a_100000221217_100009817552 [0,2,0,0,0,0|2,0,0]=4 7973 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 2230a_100000756613_100009817552 [0,2,0,0,0,0|2,0,0]=4 7974 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 269982a_100000756613_100009817552 [0,2,0,0,0,0|2,0,0]=4 7975 B13R1.147 C[C@@H](O)CN(C)c1cccc(c1)O 34a_100000756613_100009817552 [0,2,0,0,0,0|2,0,0]=4 7976 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 2230a_100102631434_100000739480 [0,2,0,0,0,0|1,0,1]=4 7977 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 269982a_100102631434_100000739480 [0,2,0,0,0,0|1,0,1]=4 7978 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 34a_100000757818_100000210206 [0,2,0,0,0,0|2,0,0]=4 7979 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 7a_100000757818_100000210206 [0,2,0,0,0,0|2,0,0]=4 7980 B13R1.147 Cc1cccc(c1)N(C)CC(C)C 2230a_100000219674_100000210760 [0,2,0,0,0,0|2,0,0]=4 7981 B13R1.147 Cc1cccc(c1)N(C)CC(C)C 269982a_100000219674_100000210624 [0,2,0,0,0,0|2,0,0]=4 7982 B13R1.147 Cc1cccc(c1)N(C)CC(C)C 34a_100000219674_100000210624 [0,2,0,0,0,0|2,0,0]=4 7983 B13R1.147 Cc1cccc(c1)N(C)CC(C)O 2230a_100000219674_100011218427 [0,2,0,0,0,0|2,0,0]=4 7984 B13R1.147 Cc1cccc(c1)N(C)CC(C)O 269982a_100000219674_100011218427 [0,2,0,0,0,0|2,0,0]=4 7985 B13R1.147 Cc1cccc(c1)N(C)CC(C)O 34a_100000219674_100011218427 [0,2,0,0,0,0|2,0,0]=4 7986 B13R1.147 Cc1cccc(c1)N(C)C[C@@H](C)O 2230a_100000219674_100009817552 [0,2,0,0,0,0|2,0,0]=4 7987 B13R1.147 Cc1cccc(c1)N(C)C[C@@H](C)O 269982a_100000219674_100009817552 [0,2,0,0,0,0|2,0,0]=4 7988 B13R1.147 Cc1cccc(c1)N(C)C[C@@H](C)O 34a_100000219674_100009817552 [0,2,0,0,0,0|2,0,0]=4 7989 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 2230a_100000698126_100000210206 [0,2,0,0,0,0|2,0,0]=4 7990 B13R1.147 Cc1cccc(c1)[C@@H](C)NC(C)C 34a_100000698126_100000210206 [0,2,0,0,0,0|2,0,0]=4 7991 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [0,2,0,0,0,0|2,0,0]=4 7992 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,2,0,0,0,0|2,0,0]=4 7993 B13R1.446 CCCN(C)c1cc(ccc1Br)Cl 269982a_100020633006_100000210303 [0,2,0,0,0,0|2,0,0]=4 7994 B13R1.446 CCCN(C)c1cc(ccc1Br)Cl 34a_100020633006_100000210303 [0,2,0,0,0,0|2,0,0]=4 7995 B13R1.446 CCCN(C)c1cc(ccc1Br)F 2230a_100020633008_100000210303 [0,2,0,0,0,0|2,0,0]=4 7996 B13R1.446 CCCN(C)c1cc(ccc1Br)F 269982a_100020633008_100000210303 [0,2,0,0,0,0|2,0,0]=4 7997 B13R1.446 CCCN(C)c1cc(ccc1Br)F 34a_100020633008_100000210303 [0,2,0,0,0,0|2,0,0]=4 7998 B13R1.446 CCCN(C)c1cc(ccc1C)Br 2230a_100020629602_100000210303 [0,2,0,0,0,0|2,0,0]=4 7999 B13R1.446 CCCN(C)c1cc(ccc1C)Br 269982a_100020629602_100000210303 [0,2,0,0,0,0|2,0,0]=4 8000 B13R1.446 CCCN(C)c1cc(ccc1C)Br 34a_100020629602_100000210303 [0,2,0,0,0,0|2,0,0]=4 8001 B13R1.446 CCCN(C)c1cc(ccc1C)Br 38a_100020629602_100000210303 [0,2,0,0,0,0|2,0,0]=4 8002 B13R1.446 CCCN(C)c1cc(ccc1C)Cl 2230a_100000221440_100000210303 [0,2,0,0,0,0|2,0,0]=4 8003 B13R1.446 CCCN(C)c1cc(ccc1C)Cl 269982a_100000221440_100000210303 [0,2,0,0,0,0|2,0,0]=4 8004 B13R1.446 CCCN(C)c1cc(ccc1C)Cl 34a_100000221440_100000210303 [0,2,0,0,0,0|2,0,0]=4 8005 B13R1.446 CCCN(C)c1cc(ccc1C)Cl 38a_100000221440_100000210303 [0,2,0,0,0,0|2,0,0]=4 8006 B13R1.446 CCCN(C)c1cc(ccc1C)F 2230a_114849113390_100000210303 [0,2,0,0,0,0|2,0,0]=4 8007 B13R1.446 CCCN(C)c1cc(ccc1C)F 269982a_114849113390_100000210303 [0,2,0,0,0,0|2,0,0]=4 8008 B13R1.446 CCCN(C)c1cc(ccc1C)F 34a_114849113390_100000210303 [0,2,0,0,0,0|2,0,0]=4 8009 B13R1.446 CCCN(C)c1cc(ccc1C)F 38a_114849113390_100000210303 [0,2,0,0,0,0|2,0,0]=4 8010 B13R1.446 CCCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100000210303 [0,2,0,0,0,0|2,0,0]=4 8011 B13R1.446 CCCN(C)c1cc(ccc1Cl)Br 34a_100011772073_100000210303 [0,2,0,0,0,0|2,0,0]=4 8012 B13R1.446 CCCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000210303 [0,2,0,0,0,0|2,0,0]=4 8013 B13R1.446 CCCN(C)c1cc(ccc1Cl)Cl 34a_100000742562_100000210303 [0,2,0,0,0,0|2,0,0]=4 8014 B13R1.446 CCCN(C)c1cc(ccc1F)Br 2230a_100011314990_100000210303 [0,2,0,0,0,0|2,0,0]=4 8015 B13R1.446 CCCN(C)c1cc(ccc1F)Br 269982a_100011314990_100000210303 [0,2,0,0,0,0|2,0,0]=4 8016 B13R1.446 CCCN(C)c1cc(ccc1F)Br 34a_100011314990_100000210303 [0,2,0,0,0,0|2,0,0]=4 8017 B13R1.446 CCCN(C)c1cc(ccc1F)Br 38a_100011314990_100000210303 [0,2,0,0,0,0|2,0,0]=4 8018 B13R1.446 CCNC(C)c1cc(ccc1Br)Br 269862a_100015525214_100011206948 [0,2,0,0,0,0|2,0,0]=4 8019 B13R1.446 CCNC(C)c1cc(ccc1Br)C 269862a_100015525214_100012361225 [0,2,0,0,0,0|2,0,0]=4 8020 B13R1.446 CCNC(C)c1cc(ccc1Br)Cl 269862a_100015525214_100012361343 [0,2,0,0,0,0|2,0,0]=4 8021 B13R1.446 CCNC(C)c1cc(ccc1Br)F 2230a_100012343209_100000210202 [0,2,0,0,0,0|2,0,0]=4 8022 B13R1.446 CCNC(C)c1cc(ccc1Br)F 269862a_100015525214_100012353695 [0,2,0,0,0,0|2,0,0]=4 8023 B13R1.446 CCNC(C)c1cc(ccc1Br)F 34a_100012343209_100000210202 [0,2,0,0,0,0|2,0,0]=4 8024 B13R1.446 CCNC(C)c1cc(ccc1C)Br 269862a_100015525214_100012706819 [0,2,0,0,0,0|2,0,0]=4 8025 B13R1.446 CCNC(C)c1cc(ccc1C)C 269862a_100015525214_100000211711 [0,2,0,0,0,0|2,0,0]=4 8026 B13R1.446 CCNC(C)c1cc(ccc1C)Cl 269862a_100015525214_100012002457 [0,2,0,0,0,0|2,0,0]=4 8027 B13R1.446 CCNC(C)c1cc(ccc1C)F 2230a_100011191733_100000210202 [0,2,0,0,0,0|2,0,0]=4 8028 B13R1.446 CCNC(C)c1cc(ccc1C)F 269862a_100015525214_100011220403 [0,2,0,0,0,0|2,0,0]=4 8029 B13R1.446 CCNC(C)c1cc(ccc1C)F 34a_100011191733_100000210202 [0,2,0,0,0,0|2,0,0]=4 8030 B13R1.446 CCNC(C)c1cc(ccc1Cl)Br 269862a_100015525214_100011934286 [0,2,0,0,0,0|2,0,0]=4 8031 B13R1.446 CCNC(C)c1cc(ccc1Cl)Cl 2230a_100000737532_100000210202 [0,2,0,0,0,0|2,0,0]=4 8032 B13R1.446 CCNC(C)c1cc(ccc1Cl)Cl 269862a_100015525214_100000184594 [0,2,0,0,0,0|2,0,0]=4 8033 B13R1.446 CCNC(C)c1cc(ccc1Cl)Cl 34a_100000737532_100000210202 [0,2,0,0,0,0|2,0,0]=4 8034 B13R1.446 CCNC(C)c1cc(ccc1Cl)F 269862a_100015525214_100011218795 [0,2,0,0,0,0|2,0,0]=4 8035 B13R1.446 CCNC(C)c1cc(ccc1Cl)I 269862a_100015525214_100010712560 [0,2,0,0,0,0|2,0,0]=4 8036 B13R1.446 CCNC(C)c1cc(ccc1F)Br 269862a_100015525214_100000689017 [0,2,0,0,0,0|2,0,0]=4 8037 B13R1.446 CCNC(C)c1cc(ccc1F)C 269862a_100015525214_100000760338 [0,2,0,0,0,0|2,0,0]=4 8038 B13R1.446 CCNC(C)c1cc(ccc1F)Cl 269862a_100015525214_100011218796 [0,2,0,0,0,0|2,0,0]=4 8039 B13R1.446 CCNC(C)c1cc(ccc1F)F 2230a_100000737541_100000210202 [0,2,0,0,0,0|2,0,0]=4 8040 B13R1.446 CCNC(C)c1cc(ccc1F)F 269862a_100015525214_100000185199 [0,2,0,0,0,0|2,0,0]=4 8041 B13R1.446 CCNC(C)c1cc(ccc1F)F 34a_100000737541_100000210202 [0,2,0,0,0,0|2,0,0]=4 8042 B13R1.446 CCNC(C)c1cc(ccc1F)I 269862a_100015525214_100010254839 [0,2,0,0,0,0|2,0,0]=4 8043 B13R1.446 CCNC(C)c1cc(ccc1I)Br 269862a_100015525214_100012349576 [0,2,0,0,0,0|2,0,0]=4 8044 B13R1.446 CCNC(C)c1cc(ccc1I)F 269862a_100015525214_100010200798 [0,2,0,0,0,0|2,0,0]=4 8045 B13R1.446 CCNC(C)c1cc(ccc1O)Br 269862a_100015525214_100000212127 [0,2,0,0,0,0|2,0,0]=4 8046 B13R1.446 CCNC(C)c1cc(ccc1O)C 269862a_100015525214_100000195442 [0,2,0,0,0,0|2,0,0]=4 8047 B13R1.446 CCNC(C)c1cc(ccc1O)Cl 269862a_100015525214_100000185566 [0,2,0,0,0,0|2,0,0]=4 8048 B13R1.446 CCNC(C)c1cc(ccc1O)F 269862a_100015525214_100000182812 [0,2,0,0,0,0|2,0,0]=4 8049 B13R1.446 CCNC(C)c1cc(ccc1O)I 269862a_100015525214_100010712555 [0,2,0,0,0,0|2,0,0]=4 8050 B13R1.446 CCN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_100000210202 [0,2,0,0,0,0|2,0,0]=4 8051 B13R1.446 CCN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_100000210202 [0,2,0,0,0,0|2,0,0]=4 8052 B13R1.446 CCN[C@@H](C)c1cc(ccc1F)Cl 2230a_100000695052_100000210202 [0,2,0,0,0,0|2,0,0]=4 8053 B13R1.446 CCN[C@@H](C)c1cc(ccc1F)Cl 34a_100000695052_100000210202 [0,2,0,0,0,0|2,0,0]=4 8054 B13R1.446 CCN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_100000210202 [0,2,0,0,0,0|2,0,0]=4 8055 B13R1.446 CCN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_100000210202 [0,2,0,0,0,0|2,0,0]=4 8056 B13R1.446 CCN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_100000210202 [0,2,0,0,0,0|2,0,0]=4 8057 B13R1.446 CCN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_100000210202 [0,2,0,0,0,0|2,0,0]=4 8058 B13R1.446 CCOC(C)c1cc(ccc1C)C 34a_200000246511_100000210202 [0,2,0,0,0,0|2,0,0]=4 8059 B13R1.446 CCOC(C)c1cc(ccc1C)C 7a_200000246511_100000210202 [0,2,0,0,0,0|2,0,0]=4 8060 B13R1.446 CCOC(C)c1cc(ccc1C)Cl 34a_100012002745_100000210202 [0,2,0,0,0,0|2,0,0]=4 8061 B13R1.446 CCOC(C)c1cc(ccc1C)Cl 7a_100012002745_100000210202 [0,2,0,0,0,0|2,0,0]=4 8062 B13R1.446 CCOC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210202 [0,2,0,0,0,0|2,0,0]=4 8063 B13R1.446 CCOC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000210202 [0,2,0,0,0,0|2,0,0]=4 8064 B13R1.446 CCOC(C)c1cc(ccc1F)Br 34a_100011943926_100000210202 [0,2,0,0,0,0|2,0,0]=4 8065 B13R1.446 CCOC(C)c1cc(ccc1F)Br 7a_100011943926_100000210202 [0,2,0,0,0,0|2,0,0]=4 8066 B13R1.446 CCOC(C)c1cc(ccc1F)F 34a_100000246540_100000210202 [0,2,0,0,0,0|2,0,0]=4 8067 B13R1.446 CCOC(C)c1cc(ccc1F)F 7a_100000246540_100000210202 [0,2,0,0,0,0|2,0,0]=4 8068 B13R1.446 CCO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_100000210202 [0,2,0,0,0,0|2,0,0]=4 8069 B13R1.446 CCO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_100000210202 [0,2,0,0,0,0|2,0,0]=4 8070 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 2230a_106832991635_100012361344 [0,2,0,0,0,0|1,0,1]=4 8071 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 34a_100102657272_100012361344 [0,2,0,0,0,0|1,0,1]=4 8072 B13R1.446 CNCC(=O)c1cc(ccc1C)C 2230a_106832991635_100000183774 [0,2,0,0,0,0|1,0,1]=4 8073 B13R1.446 CNCC(=O)c1cc(ccc1C)C 34a_100102657272_100000183774 [0,2,0,0,0,0|1,0,1]=4 8074 B13R1.446 CNCC(=O)c1cc(ccc1C)C 7a_106832991635_100000183774 [0,2,0,0,0,0|1,0,1]=4 8075 B13R1.446 CNCC(=O)c1cc(ccc1Cl)Cl 2230a_106832991635_100000183120 [0,2,0,0,0,0|1,0,1]=4 8076 B13R1.446 CNCC(=O)c1cc(ccc1Cl)F 34a_100102657272_200010187420 [0,2,0,0,0,0|1,0,1]=4 8077 B13R1.446 CNCC(=O)c1cc(ccc1F)F 34a_100102657272_100000211571 [0,2,0,0,0,0|1,0,1]=4 8078 B13R1.446 CNCC(=O)c1cc(ccc1F)F 7a_106832991635_100000211571 [0,2,0,0,0,0|1,0,1]=4 8079 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 34a_100102657272_200009828000 [0,2,0,0,0,0|1,0,1]=4 8080 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 7a_106832991635_200009828000 [0,2,0,0,0,0|1,0,1]=4 8081 B13R1.446 CNCC(=O)c1cc(ccc1O)F 34a_100102657272_100009814381 [0,2,0,0,0,0|1,0,1]=4 8082 B13R1.446 CNCC(=O)c1cc(ccc1O)F 7a_106832991635_100000047744 [0,2,0,0,0,0|1,0,1]=4 8083 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [0,2,0,0,0,0|1,0,1]=4 8084 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [0,2,0,0,0,0|1,0,1]=4 8085 B13R1.446 COCN(C)c1cc(ccc1Br)Cl 269982a_100020633006_100000766300 [0,2,0,0,0,0|2,0,0]=4 8086 B13R1.446 COCN(C)c1cc(ccc1Br)F 2230a_100020633008_100000766300 [0,2,0,0,0,0|2,0,0]=4 8087 B13R1.446 COCN(C)c1cc(ccc1Br)F 269982a_100020633008_100000766300 [0,2,0,0,0,0|2,0,0]=4 8088 B13R1.446 COCN(C)c1cc(ccc1C)Br 2230a_100020629602_100000766300 [0,2,0,0,0,0|2,0,0]=4 8089 B13R1.446 COCN(C)c1cc(ccc1C)Br 269982a_100020629602_100000766300 [0,2,0,0,0,0|2,0,0]=4 8090 B13R1.446 COCN(C)c1cc(ccc1C)Cl 2230a_100000221440_100000766300 [0,2,0,0,0,0|2,0,0]=4 8091 B13R1.446 COCN(C)c1cc(ccc1C)Cl 269982a_100000221440_100000766300 [0,2,0,0,0,0|2,0,0]=4 8092 B13R1.446 COCN(C)c1cc(ccc1C)F 2230a_114849113390_100000766300 [0,2,0,0,0,0|2,0,0]=4 8093 B13R1.446 COCN(C)c1cc(ccc1C)F 269982a_114849113390_100000766300 [0,2,0,0,0,0|2,0,0]=4 8094 B13R1.446 COCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100000766300 [0,2,0,0,0,0|2,0,0]=4 8095 B13R1.446 COCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000766300 [0,2,0,0,0,0|2,0,0]=4 8096 B13R1.446 COCN(C)c1cc(ccc1F)Br 2230a_100011314990_100000766300 [0,2,0,0,0,0|2,0,0]=4 8097 B13R1.446 COCN(C)c1cc(ccc1F)Br 269982a_100011314990_100000766300 [0,2,0,0,0,0|2,0,0]=4 8098 B13R1.446 COC[C@@H](N)c1cc(ccc1F)Br 34a_100010142275_200000210301 [0,2,0,0,0,0|2,0,0]=4 8099 B13R1.446 CSCN(C)c1cc(ccc1Br)Cl 269982a_100020633006_100011218213 [0,2,0,0,0,0|2,0,0]=4 8100 B13R1.446 CSCN(C)c1cc(ccc1Br)Cl 34a_100020633006_100011218213 [0,2,0,0,0,0|2,0,0]=4 8101 B13R1.446 CSCN(C)c1cc(ccc1Br)F 2230a_100020633008_100011218213 [0,2,0,0,0,0|2,0,0]=4 8102 B13R1.446 CSCN(C)c1cc(ccc1Br)F 269982a_100020633008_100011218213 [0,2,0,0,0,0|2,0,0]=4 8103 B13R1.446 CSCN(C)c1cc(ccc1Br)F 34a_100020633008_100011218213 [0,2,0,0,0,0|2,0,0]=4 8104 B13R1.446 CSCN(C)c1cc(ccc1C)Br 2230a_100020629602_100011218213 [0,2,0,0,0,0|2,0,0]=4 8105 B13R1.446 CSCN(C)c1cc(ccc1C)Br 269982a_100020629602_100011218213 [0,2,0,0,0,0|2,0,0]=4 8106 B13R1.446 CSCN(C)c1cc(ccc1C)Br 34a_100020629602_100011218213 [0,2,0,0,0,0|2,0,0]=4 8107 B13R1.446 CSCN(C)c1cc(ccc1C)Cl 2230a_100000221440_100011218213 [0,2,0,0,0,0|2,0,0]=4 8108 B13R1.446 CSCN(C)c1cc(ccc1C)Cl 269982a_100000221440_100011218213 [0,2,0,0,0,0|2,0,0]=4 8109 B13R1.446 CSCN(C)c1cc(ccc1C)Cl 34a_100000221440_100011218213 [0,2,0,0,0,0|2,0,0]=4 8110 B13R1.446 CSCN(C)c1cc(ccc1C)F 2230a_114849113390_100011218213 [0,2,0,0,0,0|2,0,0]=4 8111 B13R1.446 CSCN(C)c1cc(ccc1C)F 269982a_114849113390_100011218213 [0,2,0,0,0,0|2,0,0]=4 8112 B13R1.446 CSCN(C)c1cc(ccc1C)F 34a_114849113390_100011218213 [0,2,0,0,0,0|2,0,0]=4 8113 B13R1.446 CSCN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100011218213 [0,2,0,0,0,0|2,0,0]=4 8114 B13R1.446 CSCN(C)c1cc(ccc1Cl)Br 34a_100011772073_100011218213 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.446 CSCN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100011218213 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.446 CSCN(C)c1cc(ccc1Cl)Cl 34a_100000742562_100011218213 [0,2,0,0,0,0|2,0,0]=4 8117 B13R1.446 CSCN(C)c1cc(ccc1F)Br 2230a_100011314990_100011218213 [0,2,0,0,0,0|2,0,0]=4 8118 B13R1.446 CSCN(C)c1cc(ccc1F)Br 269982a_100011314990_100011218213 [0,2,0,0,0,0|2,0,0]=4 8119 B13R1.446 CSCN(C)c1cc(ccc1F)Br 34a_100011314990_100011218213 [0,2,0,0,0,0|2,0,0]=4 8120 B13R1.446 [13CH3]OC[C@@H](N)c1cc(ccc1F)Br 34a_100010142275_200025704644 [0,2,0,0,0,0|2,0,0]=4 8121 B13R1.450 CCCN(C)c1cc(cc(c1)Br)Br 27a_100000747261_100009814770 [0,2,0,0,0,0|2,0,0]=4 8122 B13R1.450 CCCN(C)c1cc(cc(c1)Br)F 269982a_106741647397_100000210303 [0,2,0,0,0,0|2,0,0]=4 8123 B13R1.450 CCCN(C)c1cc(cc(c1)Br)F 34a_106741647397_100000210303 [0,2,0,0,0,0|2,0,0]=4 8124 B13R1.450 CCCN(C)c1cc(cc(c1)Br)F 7a_106741647397_100000210303 [0,2,0,0,0,0|2,0,0]=4 8125 B13R1.450 CCCN(C)c1cc(cc(c1)Cl)Cl 2230a_100000220458_100000210303 [0,2,0,0,0,0|2,0,0]=4 8126 B13R1.450 CCCN(C)c1cc(cc(c1)Cl)Cl 269982a_100000220458_100000210303 [0,2,0,0,0,0|2,0,0]=4 8127 B13R1.450 CCCN(C)c1cc(cc(c1)Cl)Cl 34a_100000220458_100000210303 [0,2,0,0,0,0|2,0,0]=4 8128 B13R1.450 CCCN(C)c1cc(cc(c1)Cl)Cl 7a_100000220458_100000210303 [0,2,0,0,0,0|2,0,0]=4 8129 B13R1.450 CCCN(C)c1cc(cc(c1)F)C 2230a_103496528823_100000210303 [0,2,0,0,0,0|2,0,0]=4 8130 B13R1.450 CCCN(C)c1cc(cc(c1)F)C 269982a_103496528823_100000210303 [0,2,0,0,0,0|2,0,0]=4 8131 B13R1.450 CCCN(C)c1cc(cc(c1)F)C 34a_103496528823_100000210303 [0,2,0,0,0,0|2,0,0]=4 8132 B13R1.450 CCCN(C)c1cc(cc(c1)F)C 38a_103496528823_100000210303 [0,2,0,0,0,0|2,0,0]=4 8133 B13R1.450 CCCN(C)c1cc(cc(c1)F)C 7a_103496528823_100000210303 [0,2,0,0,0,0|2,0,0]=4 8134 B13R1.450 CCCN(C)c1cc(cc(c1)F)F 2230a_100011233154_100000210303 [0,2,0,0,0,0|2,0,0]=4 8135 B13R1.450 CCCN(C)c1cc(cc(c1)F)F 269982a_100011233154_100000210303 [0,2,0,0,0,0|2,0,0]=4 8136 B13R1.450 CCCN(C)c1cc(cc(c1)F)F 34a_100011233154_100000210303 [0,2,0,0,0,0|2,0,0]=4 8137 B13R1.450 CCCN(C)c1cc(cc(c1)F)F 7a_100011233154_100000210303 [0,2,0,0,0,0|2,0,0]=4 8138 B13R1.450 CCNC(C)c1cc(cc(c1)Br)Br 269862a_100015525214_100012339319 [0,2,0,0,0,0|2,0,0]=4 8139 B13R1.450 CCNC(C)c1cc(cc(c1)Br)C 269862a_100015525214_100000694479 [0,2,0,0,0,0|2,0,0]=4 8140 B13R1.450 CCNC(C)c1cc(cc(c1)Br)Cl 269862a_100015525214_100012351652 [0,2,0,0,0,0|2,0,0]=4 8141 B13R1.450 CCNC(C)c1cc(cc(c1)Br)F 269862a_100015525214_100012361402 [0,2,0,0,0,0|2,0,0]=4 8142 B13R1.450 CCNC(C)c1cc(cc(c1)C)C 2230a_100000753145_100000210202 [0,2,0,0,0,0|2,0,0]=4 8143 B13R1.450 CCNC(C)c1cc(cc(c1)C)C 269862a_100015525214_100000753124 [0,2,0,0,0,0|2,0,0]=4 8144 B13R1.450 CCNC(C)c1cc(cc(c1)C)C 34a_100000753145_100000210202 [0,2,0,0,0,0|2,0,0]=4 8145 B13R1.450 CCNC(C)c1cc(cc(c1)Cl)Cl 2230a_100020620772_100000210202 [0,2,0,0,0,0|2,0,0]=4 8146 B13R1.450 CCNC(C)c1cc(cc(c1)Cl)Cl 269862a_100015525214_100000686458 [0,2,0,0,0,0|2,0,0]=4 8147 B13R1.450 CCNC(C)c1cc(cc(c1)Cl)Cl 34a_100020620772_100000210202 [0,2,0,0,0,0|2,0,0]=4 8148 B13R1.450 CCNC(C)c1cc(cc(c1)Cl)F 269862a_100015525214_100000062022 [0,2,0,0,0,0|2,0,0]=4 8149 B13R1.450 CCNC(C)c1cc(cc(c1)F)C 269862a_100015525214_100011830400 [0,2,0,0,0,0|2,0,0]=4 8150 B13R1.450 CCNC(C)c1cc(cc(c1)F)F 269862a_100015525214_100000748097 [0,2,0,0,0,0|2,0,0]=4 8151 B13R1.450 CCNC(C)c1cc(cc(c1)I)Br 269862a_100015525214_100010005435 [0,2,0,0,0,0|2,0,0]=4 8152 B13R1.450 CCNC(C)c1cc(cc(c1)O)C 269862a_100015525214_100009855872 [0,2,0,0,0,0|2,0,0]=4 8153 B13R1.450 CCN[C@@H](C)c1cc(cc(c1)Cl)F 2230a_100020639286_100000210202 [0,2,0,0,0,0|2,0,0]=4 8154 B13R1.450 CCN[C@@H](C)c1cc(cc(c1)Cl)F 34a_100020639286_100000210202 [0,2,0,0,0,0|2,0,0]=4 8155 B13R1.450 CCN[C@H](C)c1cc(cc(c1)F)F 2230a_100016987943_100000210202 [0,2,0,0,0,0|2,0,0]=4 8156 B13R1.450 CCN[C@H](C)c1cc(cc(c1)F)F 34a_100016987943_100000210202 [0,2,0,0,0,0|2,0,0]=4 8157 B13R1.450 CCO[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_100000210202 [0,2,0,0,0,0|2,0,0]=4 8158 B13R1.450 CCO[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_100000210202 [0,2,0,0,0,0|2,0,0]=4 8159 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 2230a_106832991635_200012340517 [0,2,0,0,0,0|1,0,1]=4 8160 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 34a_100102657272_200012340517 [0,2,0,0,0,0|1,0,1]=4 8161 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 7a_106832991635_200012340517 [0,2,0,0,0,0|1,0,1]=4 8162 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 2230a_106832991635_100011216790 [0,2,0,0,0,0|1,0,1]=4 8163 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 34a_100102657272_100011216790 [0,2,0,0,0,0|1,0,1]=4 8164 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 7a_106832991635_100011216790 [0,2,0,0,0,0|1,0,1]=4 8165 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 2230a_106832991635_100010006762 [0,2,0,0,0,0|1,0,1]=4 8166 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 34a_100102657272_100010006762 [0,2,0,0,0,0|1,0,1]=4 8167 B13R1.450 COCC(N)c1cc(cc(c1)F)F 34a_100012004969_200000210301 [0,2,0,0,0,0|2,0,0]=4 8168 B13R1.450 COCN(C)c1cc(cc(c1)Br)F 269982a_106741647397_100000766300 [0,2,0,0,0,0|2,0,0]=4 8169 B13R1.450 COCN(C)c1cc(cc(c1)Cl)Cl 2230a_100000220458_100000766300 [0,2,0,0,0,0|2,0,0]=4 8170 B13R1.450 COCN(C)c1cc(cc(c1)Cl)Cl 269982a_100000220458_100000766300 [0,2,0,0,0,0|2,0,0]=4 8171 B13R1.450 COCN(C)c1cc(cc(c1)F)C 2230a_103496528823_100000766300 [0,2,0,0,0,0|2,0,0]=4 8172 B13R1.450 COCN(C)c1cc(cc(c1)F)C 269982a_103496528823_100000766300 [0,2,0,0,0,0|2,0,0]=4 8173 B13R1.450 COCN(C)c1cc(cc(c1)F)F 2230a_100011233154_100000766300 [0,2,0,0,0,0|2,0,0]=4 8174 B13R1.450 COCN(C)c1cc(cc(c1)F)F 269982a_100011233154_100000766300 [0,2,0,0,0,0|2,0,0]=4 8175 B13R1.450 COC[C@@H](N)c1cc(cc(c1)Br)F 34a_100138412358_200000210301 [0,2,0,0,0,0|2,0,0]=4 8176 B13R1.450 CSCN(C)c1cc(cc(c1)Br)F 269982a_106741647397_100011218213 [0,2,0,0,0,0|2,0,0]=4 8177 B13R1.450 CSCN(C)c1cc(cc(c1)Br)F 34a_106741647397_100011218213 [0,2,0,0,0,0|2,0,0]=4 8178 B13R1.450 CSCN(C)c1cc(cc(c1)Cl)Cl 2230a_100000220458_100011218213 [0,2,0,0,0,0|2,0,0]=4 8179 B13R1.450 CSCN(C)c1cc(cc(c1)Cl)Cl 269982a_100000220458_100011218213 [0,2,0,0,0,0|2,0,0]=4 8180 B13R1.450 CSCN(C)c1cc(cc(c1)Cl)Cl 34a_100000220458_100011218213 [0,2,0,0,0,0|2,0,0]=4 8181 B13R1.450 CSCN(C)c1cc(cc(c1)F)C 2230a_103496528823_100011218213 [0,2,0,0,0,0|2,0,0]=4 8182 B13R1.450 CSCN(C)c1cc(cc(c1)F)C 269982a_103496528823_100011218213 [0,2,0,0,0,0|2,0,0]=4 8183 B13R1.450 CSCN(C)c1cc(cc(c1)F)C 34a_103496528823_100011218213 [0,2,0,0,0,0|2,0,0]=4 8184 B13R1.450 CSCN(C)c1cc(cc(c1)F)F 2230a_100011233154_100011218213 [0,2,0,0,0,0|2,0,0]=4 8185 B13R1.450 CSCN(C)c1cc(cc(c1)F)F 269982a_100011233154_100011218213 [0,2,0,0,0,0|2,0,0]=4 8186 B13R1.450 CSCN(C)c1cc(cc(c1)F)F 34a_100011233154_100011218213 [0,2,0,0,0,0|2,0,0]=4 8187 B13R1.450 [13CH3]OCC(N)c1cc(cc(c1)F)F 34a_100012004969_200025704644 [0,2,0,0,0,0|2,0,0]=4 8188 B13R1.450 [13CH3]OC[C@@H](N)c1cc(cc(c1)Br)F 34a_100138412358_200025704644 [0,2,0,0,0,0|2,0,0]=4 8189 B13R1.460 C=Cc1cccc(c1)C(O)CNC 271570a_100011290941_200000733937 [0,2,0,0,0,0|1,0,0]=3 8190 B13R1.460 CCCN(C)c1cccc(c1)C#N 2230a_100000221292_100000210303 [0,2,0,0,0,0|2,0,0]=4 8191 B13R1.460 CCCN(C)c1cccc(c1)C#N 269982a_100000221292_100000210303 [0,2,0,0,0,0|2,0,0]=4 8192 B13R1.460 CCCN(C)c1cccc(c1)C#N 34a_100000221292_100000210303 [0,2,0,0,0,0|2,0,0]=4 8193 B13R1.460 CCCN(C)c1cccc(c1)C#N 7a_100000221292_100000210303 [0,2,0,0,0,0|2,0,0]=4 8194 B13R1.460 CCCN(C)c1cccc(c1)OC 2230a_100000219725_100000210303 [0,2,0,0,0,0|2,0,0]=4 8195 B13R1.460 CCCN(C)c1cccc(c1)OC 269982a_100000219725_100000210303 [0,2,0,0,0,0|2,0,0]=4 8196 B13R1.460 CCCN(C)c1cccc(c1)OC 34a_100000219725_100000210303 [0,2,0,0,0,0|2,0,0]=4 8197 B13R1.460 CCCN(C)c1cccc(c1)SC 2230a_100020672454_100000210303 [0,2,0,0,0,0|2,0,0]=4 8198 B13R1.460 CCCN(C)c1cccc(c1)SC 269982a_100020672454_100000210303 [0,2,0,0,0,0|2,0,0]=4 8199 B13R1.460 CCCN(C)c1cccc(c1)SC 34a_100020672454_100000210303 [0,2,0,0,0,0|2,0,0]=4 8200 B13R1.460 CCNC(C)c1cccc(c1)C#N 2230a_100016987922_100000210202 [0,2,0,0,0,0|2,0,0]=4 8201 B13R1.460 CCNC(C)c1cccc(c1)C#N 269862a_100015525214_100000738961 [0,2,0,0,0,0|2,0,0]=4 8202 B13R1.460 CCNC(C)c1cccc(c1)C#N 34a_100016987922_100000210202 [0,2,0,0,0,0|2,0,0]=4 8203 B13R1.460 CCNC(C)c1cccc(c1)CC 269862a_100015525214_100011220055 [0,2,0,0,0,0|2,0,0]=4 8204 B13R1.460 CCNC(C)c1cccc(c1)OC 2230a_100000737859_100000210202 [0,2,0,0,0,0|2,0,0]=4 8205 B13R1.460 CCNC(C)c1cccc(c1)OC 269862a_100015525214_100000171656 [0,2,0,0,0,0|2,0,0]=4 8206 B13R1.460 CCOC(C)c1cccc(c1)OC 34a_100000246466_100000210202 [0,2,0,0,0,0|2,0,0]=4 8207 B13R1.460 CCOC(C)c1cccc(c1)OC 7a_100000246466_100000210202 [0,2,0,0,0,0|2,0,0]=4 8208 B13R1.460 CNCC(=O)c1cccc(c1)C#N 2230a_106832991635_100000751541 [0,2,0,0,0,0|1,0,1]=4 8209 B13R1.460 CNCC(=O)c1cccc(c1)C#N 34a_100102657272_100000751541 [0,2,0,0,0,0|1,0,1]=4 8210 B13R1.460 CNCC(=O)c1cccc(c1)C#N 7a_106832991635_100000751541 [0,2,0,0,0,0|1,0,1]=4 8211 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [0,2,0,0,0,0|1,0,1]=4 8212 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [0,2,0,0,0,0|1,0,1]=4 8213 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000210301_200000733937 [0,2,0,0,0,0|1,0,0]=3 8214 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000733937_200000210301 [0,2,0,0,0,0|1,0,0]=3 8215 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200000733937_200025704644 [0,2,0,0,0,0|1,0,0]=3 8216 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200000733937 [0,2,0,0,0,0|1,0,0]=3 8217 B13R1.460 CNC[C@H](O)c1cccc(c1)OC 34a_100009815823_200000210301 [0,2,0,0,0,0|1,0,0]=3 8218 B13R1.460 CNC[C@H](O)c1cccc(c1)O[13CH3] 34a_100009815823_200025704644 [0,2,0,0,0,0|1,0,0]=3 8219 B13R1.460 COCC(N)c1cccc(c1)OC 34a_100020589383_200000210301 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.460 COCN(C)c1cccc(c1)C#N 2230a_100000221292_100000766300 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.460 COCN(C)c1cccc(c1)C#N 269982a_100000221292_100000766300 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.460 COCN(C)c1cccc(c1)OC 2230a_100000219725_100000766300 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.460 COCN(C)c1cccc(c1)OC 269982a_100000219725_100000766300 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.460 COCN(C)c1cccc(c1)SC 2230a_100020672454_100000766300 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.460 COCN(C)c1cccc(c1)SC 269982a_100020672454_100000766300 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.460 COc1cccc(c1)C(N)CO[13CH3] 34a_100020589383_200025704644 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.460 COc1cccc(c1)N(C)CSC 2230a_100000219725_100011218213 [0,2,0,0,0,0|2,0,0]=4 8228 B13R1.460 COc1cccc(c1)N(C)CSC 269982a_100000219725_100011218213 [0,2,0,0,0,0|2,0,0]=4 8229 B13R1.460 COc1cccc(c1)N(C)CSC 34a_100000219725_100011218213 [0,2,0,0,0,0|2,0,0]=4 8230 B13R1.460 CSCN(C)c1cccc(c1)C#N 2230a_100000221292_100011218213 [0,2,0,0,0,0|2,0,0]=4 8231 B13R1.460 CSCN(C)c1cccc(c1)C#N 269982a_100000221292_100011218213 [0,2,0,0,0,0|2,0,0]=4 8232 B13R1.460 CSCN(C)c1cccc(c1)C#N 34a_100000221292_100011218213 [0,2,0,0,0,0|2,0,0]=4 8233 B13R1.460 CSCN(C)c1cccc(c1)SC 2230a_100020672454_100011218213 [0,2,0,0,0,0|2,0,0]=4 8234 B13R1.460 CSCN(C)c1cccc(c1)SC 269982a_100020672454_100011218213 [0,2,0,0,0,0|2,0,0]=4 8235 B13R1.460 CSCN(C)c1cccc(c1)SC 34a_100020672454_100011218213 [0,2,0,0,0,0|2,0,0]=4 8236 B13R1.11 C#CC(=O)CC(C)c1ccccc1 1458a_100000211873_100000756946 [0,2,0,0,0,0|1,0,1]=4 8237 B13R1.11 C#CC(C)NC(C)c1ccccc1 2230a_100000707721_100000230085 [0,2,0,0,0,0|1,0,1]=4 8238 B13R1.11 C#CC(C)NC(C)c1ccccc1 34a_100000707721_100000211855 [0,2,0,0,0,0|1,0,1]=4 8239 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,2,0,0,0,0|1,0,1]=4 8240 B13R1.11 C#CC(C)SC(C)c1ccccc1 62a_200000035995_100000230085 [0,2,0,0,0,0|1,0,1]=4 8241 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,2,0,0,0,0|1,0,1]=4 8242 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,2,0,0,0,0|1,0,1]=4 8243 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [0,2,0,0,0,0|1,0,1]=4 8244 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,2,0,0,0,0|1,0,1]=4 8245 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,2,0,0,0,0|1,0,1]=4 8246 B13R1.11 CC(C#N)NC(C)c1ccccc1 2230a_100000737613_100000230085 [0,2,0,0,0,0|2,0,0]=4 8247 B13R1.11 CC(C#N)N[C@H](C)c1ccccc1 2230a_100000751104_100000184139 [0,2,0,0,0,0|2,0,0]=4 8248 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,2,0,0,0,0|2,0,0]=4 8249 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,2,0,0,0,0|2,0,0]=4 8250 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000230085_100000703298 [0,2,0,0,0,0|2,0,0]=4 8251 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000703298_100000230085 [0,2,0,0,0,0|2,0,0]=4 8252 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,2,0,0,0,0|1,0,0]=3 8253 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,2,0,0,0,0|1,0,0]=3 8254 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,2,0,0,0,0|2,0,0]=4 8255 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,2,0,0,0,0|2,0,0]=4 8256 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|2,0,0]=4 8257 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,2,0,0,0,0|2,0,0]=4 8258 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,2,0,0,0,0|2,0,0]=4 8259 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,2,0,0,0,0|2,0,0]=4 8260 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,2,0,0,0,0|2,0,0]=4 8261 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,2,0,0,0,0|2,0,0]=4 8262 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,2,0,0,0,0|2,0,0]=4 8263 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,2,0,0,0,0|2,0,0]=4 8264 B13R1.11 CC(SC(F)C#N)c1ccccc1 62a_100000230085_200000117898 [0,2,0,0,0,0|2,0,0]=4 8265 B13R1.11 CC(SC(F)C#N)c1ccccc1 62a_200000117898_100000230085 [0,2,0,0,0,0|2,0,0]=4 8266 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,2,0,0,0,0|2,0,0]=4 8267 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,2,0,0,0,0|2,0,0]=4 8268 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,2,0,0,0,0|1,0,0]=3 8269 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,2,0,0,0,0|1,0,0]=3 8270 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,2,0,0,0,0|2,0,0]=4 8271 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,2,0,0,0,0|2,0,0]=4 8272 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [0,2,0,0,0,0|2,0,0]=4 8273 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [0,2,0,0,0,0|2,0,0]=4 8274 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,2,0,0,0,0|2,0,0]=4 8275 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [0,2,0,0,0,0|1,0,1]=4 8276 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [0,2,0,0,0,0|1,0,1]=4 8277 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [0,2,0,0,0,0|1,0,1]=4 8278 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [0,2,0,0,0,0|1,0,1]=4 8279 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 8280 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 8281 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,2,0,0,0,0|2,0,0]=4 8282 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,2,0,0,0,0|1,0,0]=3 8283 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,2,0,0,0,0|1,0,0]=3 8284 B13R1.11 CCC(C)NC(C)c1ccccn1 2230a_100000181244_100000758301 [0,2,0,0,0,0|2,0,0]=4 8285 B13R1.11 CCC(C)NC(C)c1ccccn1 269862a_100000209981_100000210467 [0,2,0,0,0,0|2,0,0]=4 8286 B13R1.11 CCC(C)NC(C)c1cccnc1 2230a_100000195435_100000758301 [0,2,0,0,0,0|2,0,0]=4 8287 B13R1.11 CCC(C)NC(C)c1cccnc1 269862a_100000209981_100000210468 [0,2,0,0,0,0|2,0,0]=4 8288 B13R1.11 CCC(C)NC(C)c1ccncc1 2230a_100000181269_100000758301 [0,2,0,0,0,0|2,0,0]=4 8289 B13R1.11 CCC(C)NC(C)c1ccncc1 269862a_100000209981_100000185792 [0,2,0,0,0,0|2,0,0]=4 8290 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,2,0,0,0,0|1,0,0]=3 8291 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,2,0,0,0,0|1,0,0]=3 8292 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,2,0,0,0,0|1,0,0]=3 8293 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,2,0,0,0,0|1,0,0]=3 8294 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,2,0,0,0,0|1,0,0]=3 8295 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,2,0,0,0,0|1,0,0]=3 8296 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 8297 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 8298 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [0,2,0,0,0,0|2,0,0]=4 8299 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [0,2,0,0,0,0|1,0,1]=4 8300 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,2,0,0,0,0|0,0,0]=2 8301 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,2,0,0,0,0|0,0,0]=2 8302 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,2,0,0,0,0|1,0,0]=3 8303 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,2,0,0,0,0|1,0,0]=3 8304 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,2,0,0,0,0|1,0,0]=3 8305 B13R1.11 CCN(C)CS(=O)c1ccccc1 269982a_100000225621_100000031784 [0,2,0,0,0,0|2,0,0]=4 8306 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,2,0,0,0,0|1,0,0]=3 8307 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 8308 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 8309 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,2,0,0,0,0|2,0,0]=4 8310 B13R1.11 CN(CC(=O)CF)c1ccccc1 1458a_100000745425_100015361967 [0,2,0,0,0,0|2,0,0]=4 8311 B13R1.11 CN(CC(O)CO)c1ccccc1 2230a_100000210012_100011219619 [0,2,0,0,0,0|2,0,0]=4 8312 B13R1.11 CN(CC(O)CO)c1ccccc1 34a_100000210012_100011219619 [0,2,0,0,0,0|2,0,0]=4 8313 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [0,2,0,0,0,0|1,0,0]=3 8314 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 2230a_100000210012_100015614560 [0,2,0,0,0,0|2,0,0]=4 8315 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 34a_100000210012_100015614560 [0,2,0,0,0,0|2,0,0]=4 8316 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 2230a_100000210012_100009815848 [0,2,0,0,0,0|2,0,0]=4 8317 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 34a_100000210012_100009815848 [0,2,0,0,0,0|2,0,0]=4 8318 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,2,0,0,0,0|0,0,2]=4 8319 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,2,0,0,0,0|0,0,2]=4 8320 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,2,0,0,0,0|0,0,2]=4 8321 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,2,0,0,0,0|0,0,2]=4 8322 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,2,0,0,0,0|1,0,1]=4 8323 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,2,0,0,0,0|0,0,0]=2 8324 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,2,0,0,0,0|0,0,0]=2 8325 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,2,0,0,0,0|0,0,0]=2 8326 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,2,0,0,0,0|0,0,0]=2 8327 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,2,0,0,0,0|1,0,0]=3 8328 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [0,2,0,0,0,0|1,0,0]=3 8329 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [0,2,0,0,0,0|1,0,0]=3 8330 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [0,2,0,0,0,0|1,0,0]=3 8331 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [0,2,0,0,0,0|1,0,0]=3 8332 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [0,2,0,0,0,0|1,0,0]=3 8333 B13R1.11 CNC(=O)NC(C)c1ccccn1 2708a_100000181244_106832991635 [0,2,0,0,0,0|1,0,1]=4 8334 B13R1.11 CNC(=O)NC(C)c1ccccn1 2708a_100102657272_100000181244 [0,2,0,0,0,0|1,0,1]=4 8335 B13R1.11 CNC(=O)NC(C)c1ccccn1 273464a_100000181244_100102657272 [0,2,0,0,0,0|1,0,1]=4 8336 B13R1.11 CNC(=O)NC(C)c1ccccn1 273464a_100102657272_100000181244 [0,2,0,0,0,0|1,0,1]=4 8337 B13R1.11 CNC(=O)NC(C)c1ccccn1 512a_100000181244_100102657272 [0,2,0,0,0,0|1,0,1]=4 8338 B13R1.11 CNC(=O)NC(C)c1ccccn1 512a_106832991638_100000181244 [0,2,0,0,0,0|1,0,1]=4 8339 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100000195435_106832991635 [0,2,0,0,0,0|1,0,1]=4 8340 B13R1.11 CNC(=O)NC(C)c1cccnc1 2708a_100102657272_100000195435 [0,2,0,0,0,0|1,0,1]=4 8341 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100000195435_100102657272 [0,2,0,0,0,0|1,0,1]=4 8342 B13R1.11 CNC(=O)NC(C)c1cccnc1 273464a_100102657272_100000195435 [0,2,0,0,0,0|1,0,1]=4 8343 B13R1.11 CNC(=O)NC(C)c1cccnc1 512a_106832991638_100000195435 [0,2,0,0,0,0|1,0,1]=4 8344 B13R1.11 CNC(=O)NC(C)c1ccncc1 2708a_100000181269_106832991635 [0,2,0,0,0,0|1,0,1]=4 8345 B13R1.11 CNC(=O)NC(C)c1ccncc1 2708a_100102657272_100000181269 [0,2,0,0,0,0|1,0,1]=4 8346 B13R1.11 CNC(=O)NC(C)c1ccncc1 273464a_100000181269_100102657272 [0,2,0,0,0,0|1,0,1]=4 8347 B13R1.11 CNC(=O)NC(C)c1ccncc1 273464a_100102657272_100000181269 [0,2,0,0,0,0|1,0,1]=4 8348 B13R1.11 CNC(=O)NC(C)c1ccncc1 512a_100000181269_100102657272 [0,2,0,0,0,0|1,0,1]=4 8349 B13R1.11 CNC(=O)NC(C)c1ccncc1 512a_106832991638_100000181269 [0,2,0,0,0,0|1,0,1]=4 8350 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,2,0,0,0,0|0,0,1]=3 8351 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,2,0,0,0,0|0,0,1]=3 8352 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,2,0,0,0,0|0,0,1]=3 8353 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,2,0,0,0,0|0,0,1]=3 8354 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,2,0,0,0,0|0,0,1]=3 8355 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,2,0,0,0,0|0,0,1]=3 8356 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,2,0,0,0,0|2,0,0]=4 8357 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,2,0,0,0,0|2,0,0]=4 8358 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,2,0,0,0,0|2,0,0]=4 8359 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,2,0,0,0,0|2,0,0]=4 8360 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,2,0,0,0,0|2,0,0]=4 8361 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,2,0,0,0,0|2,0,0]=4 8362 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,2,0,0,0,0|2,0,0]=4 8363 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,2,0,0,0,0|1,0,0]=3 8364 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,2,0,0,0,0|1,0,0]=3 8365 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [0,2,0,0,0,0|2,0,0]=4 8366 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [0,2,0,0,0,0|2,0,0]=4 8367 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [0,2,0,0,0,0|2,0,0]=4 8368 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,2,0,0,0,0|2,0,0]=4 8369 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,2,0,0,0,0|2,0,0]=4 8370 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,2,0,0,0,0|2,0,0]=4 8371 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,2,0,0,0,0|2,0,0]=4 8372 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,2,0,0,0,0|2,0,0]=4 8373 B13R1.24 C#CCCCN(C)c1ccccc1 2230a_100000210012_100000731252 [0,2,0,0,0,0|2,0,0]=4 8374 B13R1.24 C#CCCCN(C)c1ccccc1 269982a_100000210012_100011215417 [0,2,0,0,0,0|2,0,0]=4 8375 B13R1.24 C#CCCCN(C)c1ccccc1 34a_100000210012_100000695029 [0,2,0,0,0,0|2,0,0]=4 8376 B13R1.24 C#CCCNC(C)c1ccccc1 34a_100000755551_100000211855 [0,2,0,0,0,0|1,0,1]=4 8377 B13R1.24 C#CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000688953 [0,2,0,0,0,0|1,0,1]=4 8378 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,2,0,0,0,0|1,0,1]=4 8379 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,2,0,0,0,0|1,0,1]=4 8380 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,2,0,0,0,0|1,0,1]=4 8381 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000230085_100000688953 [0,2,0,0,0,0|1,0,1]=4 8382 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000688953_100000230085 [0,2,0,0,0,0|1,0,1]=4 8383 B13R1.24 C#CCNCC(C)c1ccccc1 2230a_100000701038_100000038162 [0,2,0,0,0,0|0,0,0]=2 8384 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000212058_100000756946 [0,2,0,0,0,0|0,0,0]=2 8385 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000701038_100000184674 [0,2,0,0,0,0|0,0,0]=2 8386 B13R1.24 C#CCNCC(O)c1ccccc1 2230a_100000210709_100000038162 [0,2,0,0,0,0|1,0,0]=3 8387 B13R1.24 C#CCNCC(O)c1ccccc1 34a_100000212058_100000185958 [0,2,0,0,0,0|1,0,0]=3 8388 B13R1.24 C#CCNCC(O)c1ccccn1 2230a_100000691469_100000038162 [0,2,0,0,0,0|2,0,0]=4 8389 B13R1.24 C#CCNCC(O)c1cccnc1 2230a_100020605170_100000038162 [0,2,0,0,0,0|2,0,0]=4 8390 B13R1.24 C#CCNC[C@@H](O)c1ccccc1 34a_100000212058_100011933945 [0,2,0,0,0,0|1,0,0]=3 8391 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100000210247_100000756946 [0,2,0,0,0,0|1,0,0]=3 8392 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100011215166_100000184674 [0,2,0,0,0,0|1,0,0]=3 8393 B13R1.24 C#CCOCC(C)c1ccccc1 7a_100011215166_100000038162 [0,2,0,0,0,0|1,0,0]=3 8394 B13R1.24 C#CCOCC(O)c1ccccc1 34a_100000210247_100000185958 [0,2,0,0,0,0|2,0,0]=4 8395 B13R1.24 C#CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000184674 [0,2,0,0,0,0|2,0,0]=4 8396 B13R1.24 C#CCOC[C@@H](O)c1ccccc1 34a_100000210247_100011933945 [0,2,0,0,0,0|2,0,0]=4 8397 B13R1.24 C#CCSCC(C)c1ccccc1 62a_100000038162_100000756946 [0,2,0,0,0,0|1,0,0]=3 8398 B13R1.24 C#CCSCC(O)c1ccccc1 62a_100000038162_100000185958 [0,2,0,0,0,0|2,0,0]=4 8399 B13R1.24 C#CCSC[C@@H](O)c1ccccc1 62a_100000038162_100011933945 [0,2,0,0,0,0|2,0,0]=4 8400 B13R1.24 C/C=C/COC(C)c1ccccc1 34a_100016270725_100000211855 [0,2,0,0,0,0|1,0,0]=3 8401 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100102629194 [0,2,0,0,0,0|1,0,0]=3 8402 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100102629194 [0,2,0,0,0,0|1,0,0]=3 8403 B13R1.24 C/C=C/CSC(C)c1ccccc1 62a_100000230085_100102629194 [0,2,0,0,0,0|1,0,0]=3 8404 B13R1.24 C/C=C/CSC(C)c1ccccc1 62a_100102629194_100000230085 [0,2,0,0,0,0|1,0,0]=3 8405 B13R1.24 C=CCCCN(C)c1ccccc1 2230a_100000210012_100011713584 [0,2,0,0,0,0|2,0,0]=4 8406 B13R1.24 C=CCCCN(C)c1ccccc1 269982a_100000210012_100000757094 [0,2,0,0,0,0|2,0,0]=4 8407 B13R1.24 C=CCCCN(C)c1ccccc1 34a_100000210012_100000757094 [0,2,0,0,0,0|2,0,0]=4 8408 B13R1.24 C=CCCNC(C)c1ccccc1 2230a_100015191253_100000230085 [0,2,0,0,0,0|1,0,1]=4 8409 B13R1.24 C=CCCNC(C)c1ccccc1 269862a_100015191253_100000185851 [0,2,0,0,0,0|1,0,1]=4 8410 B13R1.24 C=CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000754431 [0,2,0,0,0,0|1,0,1]=4 8411 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,2,0,0,0,0|1,0,1]=4 8412 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,2,0,0,0,0|1,0,1]=4 8413 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,2,0,0,0,0|1,0,1]=4 8414 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000230085_100000754431 [0,2,0,0,0,0|1,0,1]=4 8415 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000754431_100000230085 [0,2,0,0,0,0|1,0,1]=4 8416 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100000701038_100000210623 [0,2,0,0,0,0|0,0,0]=2 8417 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100020586998_100000756946 [0,2,0,0,0,0|0,0,0]=2 8418 B13R1.24 C=CCNCC(C)c1ccccc1 270004a_100020586998_100000212034 [0,2,0,0,0,0|0,0,0]=2 8419 B13R1.24 C=CCNCC(C)c1ccccc1 34a_100000701038_100015514636 [0,2,0,0,0,0|0,0,0]=2 8420 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [0,2,0,0,0,0|1,0,0]=3 8421 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [0,2,0,0,0,0|1,0,0]=3 8422 B13R1.24 C=CCNCC(O)c1ccccn1 2230a_100000691469_100000210623 [0,2,0,0,0,0|2,0,0]=4 8423 B13R1.24 C=CCNCC(O)c1cccnc1 2230a_100020605170_100000210623 [0,2,0,0,0,0|2,0,0]=4 8424 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [0,2,0,0,0,0|1,0,0]=3 8425 B13R1.24 C=CCOCC(C)c1ccccc1 34a_100011215166_100015514636 [0,2,0,0,0,0|1,0,0]=3 8426 B13R1.24 C=CCOCC(C)c1ccccc1 34a_200000210373_100000756946 [0,2,0,0,0,0|1,0,0]=3 8427 B13R1.24 C=CCOCC(C)c1ccccc1 7a_100011215166_100015514636 [0,2,0,0,0,0|1,0,0]=3 8428 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,2,0,0,0,0|2,0,0]=4 8429 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [0,2,0,0,0,0|2,0,0]=4 8430 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,2,0,0,0,0|2,0,0]=4 8431 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000210623_100000756946 [0,2,0,0,0,0|1,0,0]=3 8432 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000756946_100000210623 [0,2,0,0,0,0|1,0,0]=3 8433 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000185958_100000210623 [0,2,0,0,0,0|2,0,0]=4 8434 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000210623_100000185958 [0,2,0,0,0,0|2,0,0]=4 8435 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100000210623_100011933945 [0,2,0,0,0,0|2,0,0]=4 8436 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210623 [0,2,0,0,0,0|2,0,0]=4 8437 B13R1.24 CC#CCNC(C)c1ccccc1 2230a_100000685387_100000230085 [0,2,0,0,0,0|1,0,0]=3 8438 B13R1.24 CC#CCNC(C)c1ccccc1 34a_100000685387_100000211855 [0,2,0,0,0,0|1,0,0]=3 8439 B13R1.24 CC#CCNC(C)c1ccccn1 2230a_100000181244_100000748600 [0,2,0,0,0,0|2,0,0]=4 8440 B13R1.24 CC#CCNC(C)c1cccnc1 2230a_100000195435_100000748600 [0,2,0,0,0,0|2,0,0]=4 8441 B13R1.24 CC#CCNC(C)c1ccncc1 2230a_100000181269_100000748600 [0,2,0,0,0,0|2,0,0]=4 8442 B13R1.24 CC#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000748600 [0,2,0,0,0,0|1,0,0]=3 8443 B13R1.24 CC#CCOC(C)c1ccccc1 34a_100000761923_100000211855 [0,2,0,0,0,0|1,0,0]=3 8444 B13R1.24 CC#CCO[C@H](C)c1ccccc1 34a_100000761318_100000748600 [0,2,0,0,0,0|1,0,0]=3 8445 B13R1.24 CC#CCO[C@H](C)c1ccccc1 7a_100000761318_100000748600 [0,2,0,0,0,0|1,0,0]=3 8446 B13R1.24 CC#CCSC(C)c1ccccc1 62a_100000230085_100000748600 [0,2,0,0,0,0|1,0,0]=3 8447 B13R1.24 CC#CCSC(C)c1ccccc1 62a_100000748600_100000230085 [0,2,0,0,0,0|1,0,0]=3 8448 B13R1.24 CC(=NNCCO)c1ccccc1 4a_100000210001_100000185851 [0,2,0,0,0,0|1,0,1]=4 8449 B13R1.24 CC(CNCC#N)c1ccccc1 2230a_100000701038_100011215382 [0,2,0,0,0,0|0,0,0]=2 8450 B13R1.24 CC(CNCC=O)c1ccccc1 2230a_100000701038_200015260668 [0,2,0,0,0,0|0,0,0]=2 8451 B13R1.24 CC(CNCC=O)c1ccccc1 34a_100000701038_200009817547 [0,2,0,0,0,0|0,0,0]=2 8452 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [0,2,0,0,0,0|0,0,0]=2 8453 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [0,2,0,0,0,0|0,0,0]=2 8454 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [0,2,0,0,0,0|0,0,0]=2 8455 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [0,2,0,0,0,0|0,0,0]=2 8456 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [0,2,0,0,0,0|0,0,0]=2 8457 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [0,2,0,0,0,0|0,0,0]=2 8458 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [0,2,0,0,0,0|0,0,0]=2 8459 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [0,2,0,0,0,0|0,0,0]=2 8460 B13R1.24 CC(COCC#N)c1ccccc1 7a_100011215166_100011215382 [0,2,0,0,0,0|1,0,0]=3 8461 B13R1.24 CC(COCC=O)c1ccccc1 34a_100011215166_200009817547 [0,2,0,0,0,0|1,0,0]=3 8462 B13R1.24 CC(COCC=O)c1ccccc1 7a_100011215166_200015260668 [0,2,0,0,0,0|1,0,0]=3 8463 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,2,0,0,0,0|1,0,0]=3 8464 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,2,0,0,0,0|1,0,0]=3 8465 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,2,0,0,0,0|1,0,0]=3 8466 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,2,0,0,0,0|1,0,0]=3 8467 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,2,0,0,0,0|1,0,0]=3 8468 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,2,0,0,0,0|1,0,0]=3 8469 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100000756946_100011215382 [0,2,0,0,0,0|1,0,0]=3 8470 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100011215382_100000756946 [0,2,0,0,0,0|1,0,0]=3 8471 B13R1.24 CC(CSCC=O)c1ccccc1 62a_100000756946_200015260668 [0,2,0,0,0,0|1,0,0]=3 8472 B13R1.24 CC(CSCC=O)c1ccccc1 62a_200015260668_100000756946 [0,2,0,0,0,0|1,0,0]=3 8473 B13R1.24 CC(CSCCF)c1ccccc1 62a_100000756946_100011217306 [0,2,0,0,0,0|1,0,0]=3 8474 B13R1.24 CC(CSCCF)c1ccccc1 62a_100011217306_100000756946 [0,2,0,0,0,0|1,0,0]=3 8475 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [0,2,0,0,0,0|1,0,0]=3 8476 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [0,2,0,0,0,0|1,0,0]=3 8477 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,2,0,0,0,0|1,0,0]=3 8478 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,2,0,0,0,0|1,0,0]=3 8479 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,2,0,0,0,0|1,0,0]=3 8480 B13R1.24 CC(NCCCF)c1ccccn1 2230a_100000181244_100011934791 [0,2,0,0,0,0|2,0,0]=4 8481 B13R1.24 CC(NCCCF)c1ccccn1 269862a_100015189416_100000210467 [0,2,0,0,0,0|2,0,0]=4 8482 B13R1.24 CC(NCCCF)c1cccnc1 2230a_100000195435_100011934791 [0,2,0,0,0,0|2,0,0]=4 8483 B13R1.24 CC(NCCCF)c1cccnc1 269862a_100015189416_100000210468 [0,2,0,0,0,0|2,0,0]=4 8484 B13R1.24 CC(NCCCF)c1ccncc1 2230a_100000181269_100011934791 [0,2,0,0,0,0|2,0,0]=4 8485 B13R1.24 CC(NCCCF)c1ccncc1 269862a_100015189416_100000185792 [0,2,0,0,0,0|2,0,0]=4 8486 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,2,0,0,0,0|1,0,0]=3 8487 B13R1.24 CC(NCCCO)c1ccccn1 2230a_100000181244_100000230001 [0,2,0,0,0,0|2,0,0]=4 8488 B13R1.24 CC(NCCCO)c1ccccn1 269862a_100000182051_100000210467 [0,2,0,0,0,0|2,0,0]=4 8489 B13R1.24 CC(NCCCO)c1cccnc1 2230a_100000195435_100000230001 [0,2,0,0,0,0|2,0,0]=4 8490 B13R1.24 CC(NCCCO)c1cccnc1 269862a_100000182051_100000210468 [0,2,0,0,0,0|2,0,0]=4 8491 B13R1.24 CC(NCCCO)c1ccncc1 2230a_100000181269_100000230001 [0,2,0,0,0,0|2,0,0]=4 8492 B13R1.24 CC(NCCCO)c1ccncc1 269862a_100000182051_100000185792 [0,2,0,0,0,0|2,0,0]=4 8493 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,2,0,0,0,0|1,0,0]=3 8494 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,2,0,0,0,0|1,0,0]=3 8495 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,2,0,0,0,0|1,0,0]=3 8496 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,2,0,0,0,0|1,0,0]=3 8497 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,2,0,0,0,0|2,0,0]=4 8498 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100000230085_100011215226 [0,2,0,0,0,0|1,0,1]=4 8499 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100011215226_100000230085 [0,2,0,0,0,0|1,0,1]=4 8500 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,2,0,0,0,0|1,0,0]=3 8501 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,2,0,0,0,0|1,0,0]=3 8502 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,2,0,0,0,0|1,0,0]=3 8503 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,2,0,0,0,0|1,0,0]=3 8504 B13R1.24 CC(SCSC#N)c1ccccc1 62a_100000211825_100000230085 [0,2,0,0,0,0|1,0,1]=4 8505 B13R1.24 CC(SCSC#N)c1ccccc1 62a_100000230085_100000211825 [0,2,0,0,0,0|1,0,1]=4 8506 B13R1.24 CC/C=C\CN(C)c1ccccc1 2230a_100000210012_100103147603 [0,2,0,0,0,0|2,0,0]=4 8507 B13R1.24 CC/C=C\CN(C)c1ccccc1 269982a_100000210012_100103147603 [0,2,0,0,0,0|2,0,0]=4 8508 B13R1.24 CC/C=C\CN(C)c1ccccc1 34a_100000210012_100103147603 [0,2,0,0,0,0|2,0,0]=4 8509 B13R1.24 CC=CCNC(C)c1ccccn1 2230a_100000181244_100000070051 [0,2,0,0,0,0|2,0,0]=4 8510 B13R1.24 CC=CCNC(C)c1cccnc1 2230a_100000195435_100000070051 [0,2,0,0,0,0|2,0,0]=4 8511 B13R1.24 CC=CCNC(C)c1ccncc1 2230a_100000181269_100000070051 [0,2,0,0,0,0|2,0,0]=4 8512 B13R1.24 CC=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000070051 [0,2,0,0,0,0|1,0,0]=3 8513 B13R1.24 CC=CCO[C@H](C)c1ccccc1 34a_100000761318_100000070051 [0,2,0,0,0,0|1,0,0]=3 8514 B13R1.24 CC=CCO[C@H](C)c1ccccc1 7a_100000761318_100000070051 [0,2,0,0,0,0|1,0,0]=3 8515 B13R1.24 CC=CCSC(C)c1ccccc1 62a_100000070051_100000230085 [0,2,0,0,0,0|1,0,0]=3 8516 B13R1.24 CC=CCSC(C)c1ccccc1 62a_100000230085_100000070051 [0,2,0,0,0,0|1,0,0]=3 8517 B13R1.24 CCC#CCN(C)c1ccccc1 2230a_100000210012_100009813939 [0,2,0,0,0,0|2,0,0]=4 8518 B13R1.24 CCC#CCN(C)c1ccccc1 34a_100000210012_100009813939 [0,2,0,0,0,0|2,0,0]=4 8519 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [0,2,0,0,0,0|2,0,0]=4 8520 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [0,2,0,0,0,0|2,0,0]=4 8521 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [0,2,0,0,0,0|2,0,0]=4 8522 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [0,2,0,0,0,0|2,0,0]=4 8523 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [0,2,0,0,0,0|2,0,0]=4 8524 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [0,2,0,0,0,0|2,0,0]=4 8525 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [0,2,0,0,0,0|2,0,0]=4 8526 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [0,2,0,0,0,0|2,0,0]=4 8527 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [0,2,0,0,0,0|2,0,0]=4 8528 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [0,2,0,0,0,0|2,0,0]=4 8529 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [0,2,0,0,0,0|2,0,0]=4 8530 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,2,0,0,0,0|1,0,0]=3 8531 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,2,0,0,0,0|1,0,0]=3 8532 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,2,0,0,0,0|1,0,0]=3 8533 B13R1.24 CCCCNC(C)c1ccccn1 2230a_100000181244_100000210211 [0,2,0,0,0,0|2,0,0]=4 8534 B13R1.24 CCCCNC(C)c1ccccn1 269862a_100000102301_100000210467 [0,2,0,0,0,0|2,0,0]=4 8535 B13R1.24 CCCCNC(C)c1cccnc1 2230a_100000195435_100000210211 [0,2,0,0,0,0|2,0,0]=4 8536 B13R1.24 CCCCNC(C)c1cccnc1 269862a_100000102301_100000210468 [0,2,0,0,0,0|2,0,0]=4 8537 B13R1.24 CCCCNC(C)c1ccncc1 2230a_100000181269_100000210211 [0,2,0,0,0,0|2,0,0]=4 8538 B13R1.24 CCCCNC(C)c1ccncc1 269862a_100000102301_100000185792 [0,2,0,0,0,0|2,0,0]=4 8539 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,2,0,0,0,0|1,0,0]=3 8540 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,2,0,0,0,0|1,0,0]=3 8541 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,2,0,0,0,0|1,0,0]=3 8542 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,2,0,0,0,0|1,0,0]=3 8543 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,2,0,0,0,0|1,0,0]=3 8544 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,2,0,0,0,0|1,0,0]=3 8545 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,2,0,0,0,0|1,0,0]=3 8546 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,2,0,0,0,0|0,0,0]=2 8547 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,2,0,0,0,0|0,0,0]=2 8548 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,2,0,0,0,0|0,0,0]=2 8549 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,2,0,0,0,0|1,0,0]=3 8550 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,2,0,0,0,0|2,0,0]=4 8551 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,2,0,0,0,0|2,0,0]=4 8552 B13R1.24 CCCNN=C(C)c1ccccc1 4a_100000740057_100000185851 [0,2,0,0,0,0|1,0,1]=4 8553 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,2,0,0,0,0|1,0,0]=3 8554 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,2,0,0,0,0|1,0,0]=3 8555 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,2,0,0,0,0|1,0,0]=3 8556 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,2,0,0,0,0|2,0,0]=4 8557 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|2,0,0]=4 8558 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,2,0,0,0,0|2,0,0]=4 8559 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,2,0,0,0,0|1,0,0]=3 8560 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,2,0,0,0,0|1,0,0]=3 8561 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,2,0,0,0,0|2,0,0]=4 8562 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,2,0,0,0,0|2,0,0]=4 8563 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,2,0,0,0,0|2,0,0]=4 8564 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 8565 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,2,0,0,0,0|1,0,1]=4 8566 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,2,0,0,0,0|0,0,0]=2 8567 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,2,0,0,0,0|1,0,0]=3 8568 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,2,0,0,0,0|2,0,0]=4 8569 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,2,0,0,0,0|1,0,0]=3 8570 B13R1.24 CCNN=CC(C)c1ccccc1 4a_100000756455_100000212034 [0,2,0,0,0,0|0,0,1]=3 8571 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 8572 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 8573 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [0,2,0,0,0,0|2,0,0]=4 8574 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,2,0,0,0,0|2,0,0]=4 8575 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,2,0,0,0,0|2,0,0]=4 8576 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,2,0,0,0,0|1,0,0]=3 8577 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,2,0,0,0,0|1,0,0]=3 8578 B13R1.24 CCSCCN(C)c1ccccc1 2230a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 8579 B13R1.24 CCSCCN(C)c1ccccc1 269982a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 8580 B13R1.24 CCSCCN(C)c1ccccc1 34a_100000210012_100000757381 [0,2,0,0,0,0|2,0,0]=4 8581 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,2,0,0,0,0|2,0,0]=4 8582 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,2,0,0,0,0|2,0,0]=4 8583 B13R1.24 CN(CC#CCO)c1ccccc1 2230a_100000210012_200000047223 [0,2,0,0,0,0|2,0,0]=4 8584 B13R1.24 CN(CC#CCO)c1ccccc1 34a_100000210012_200000047223 [0,2,0,0,0,0|2,0,0]=4 8585 B13R1.24 CN(CCCC#N)c1ccccc1 2230a_100000210012_100000687738 [0,2,0,0,0,0|2,0,0]=4 8586 B13R1.24 CN(CCCC#N)c1ccccc1 269982a_100000210012_100000687738 [0,2,0,0,0,0|2,0,0]=4 8587 B13R1.24 CN(CCCC=O)c1ccccc1 2230a_100000210012_200011292268 [0,2,0,0,0,0|2,0,0]=4 8588 B13R1.24 CN(CCCC=O)c1ccccc1 269982a_100000210012_200011292268 [0,2,0,0,0,0|2,0,0]=4 8589 B13R1.24 CN(CCCCF)c1ccccc1 2230a_100000210012_100000729493 [0,2,0,0,0,0|2,0,0]=4 8590 B13R1.24 CN(CCCCF)c1ccccc1 269982a_100000210012_100000729493 [0,2,0,0,0,0|2,0,0]=4 8591 B13R1.24 CN(CCCCF)c1ccccc1 34a_100000210012_100000729493 [0,2,0,0,0,0|2,0,0]=4 8592 B13R1.24 CN(CCCCO)c1ccccc1 2230a_100000210012_100000210776 [0,2,0,0,0,0|2,0,0]=4 8593 B13R1.24 CN(CCCCO)c1ccccc1 269982a_100000210012_100000210776 [0,2,0,0,0,0|2,0,0]=4 8594 B13R1.24 CN(CCCCO)c1ccccc1 34a_100000210012_100011216708 [0,2,0,0,0,0|2,0,0]=4 8595 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,2,0,0,0,0|1,0,1]=4 8596 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,2,0,0,0,0|1,0,1]=4 8597 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [0,2,0,0,0,0|1,0,1]=4 8598 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [0,2,0,0,0,0|1,0,1]=4 8599 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,2,0,0,0,0|1,0,1]=4 8600 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,2,0,0,0,0|1,0,1]=4 8601 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 8602 B13R1.24 COCCCN(C)c1ccccc1 2230a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 8603 B13R1.24 COCCCN(C)c1ccccc1 269982a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 8604 B13R1.24 COCCCN(C)c1ccccc1 34a_100000210012_100000740836 [0,2,0,0,0,0|2,0,0]=4 8605 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,2,0,0,0,0|1,0,0]=3 8606 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,2,0,0,0,0|1,0,0]=3 8607 B13R1.24 COCCNC(C)c1ccccn1 2230a_100000181244_100011201679 [0,2,0,0,0,0|2,0,0]=4 8608 B13R1.24 COCCNC(C)c1ccccn1 269862a_100000209980_100000210467 [0,2,0,0,0,0|2,0,0]=4 8609 B13R1.24 COCCNC(C)c1cccnc1 2230a_100000195435_100011201679 [0,2,0,0,0,0|2,0,0]=4 8610 B13R1.24 COCCNC(C)c1cccnc1 269862a_100000209980_100000210468 [0,2,0,0,0,0|2,0,0]=4 8611 B13R1.24 COCCNC(C)c1ccncc1 2230a_100000181269_100011201679 [0,2,0,0,0,0|2,0,0]=4 8612 B13R1.24 COCCNC(C)c1ccncc1 269862a_100000209980_100000185792 [0,2,0,0,0,0|2,0,0]=4 8613 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,2,0,0,0,0|1,0,0]=3 8614 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,2,0,0,0,0|1,0,0]=3 8615 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,2,0,0,0,0|1,0,0]=3 8616 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,2,0,0,0,0|1,0,0]=3 8617 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,2,0,0,0,0|1,0,0]=3 8618 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,2,0,0,0,0|1,0,0]=3 8619 B13R1.24 COCNCC(C)c1ccccc1 2230a_100000701038_100000766300 [0,2,0,0,0,0|0,0,0]=2 8620 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [0,2,0,0,0,0|1,0,0]=3 8621 B13R1.24 COCNCC(O)c1ccccn1 2230a_100000691469_100000766300 [0,2,0,0,0,0|2,0,0]=4 8622 B13R1.24 COCNCC(O)c1cccnc1 2230a_100020605170_100000766300 [0,2,0,0,0,0|2,0,0]=4 8623 B13R1.24 COCSCC(C)c1ccccc1 62a_100000756946_100000766300 [0,2,0,0,0,0|1,0,0]=3 8624 B13R1.24 COCSCC(C)c1ccccc1 62a_100000766300_100000756946 [0,2,0,0,0,0|1,0,0]=3 8625 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [0,2,0,0,0,0|2,0,0]=4 8626 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [0,2,0,0,0,0|2,0,0]=4 8627 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [0,2,0,0,0,0|2,0,0]=4 8628 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [0,2,0,0,0,0|2,0,0]=4 8629 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,2,0,0,0,0|1,0,0]=3 8630 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,2,0,0,0,0|1,0,0]=3 8631 B13R1.24 CSCCNC(C)c1ccccn1 2230a_100000181244_100000751147 [0,2,0,0,0,0|2,0,0]=4 8632 B13R1.24 CSCCNC(C)c1ccccn1 269862a_100020590264_100000210467 [0,2,0,0,0,0|2,0,0]=4 8633 B13R1.24 CSCCNC(C)c1cccnc1 2230a_100000195435_100000751147 [0,2,0,0,0,0|2,0,0]=4 8634 B13R1.24 CSCCNC(C)c1cccnc1 269862a_100020590264_100000210468 [0,2,0,0,0,0|2,0,0]=4 8635 B13R1.24 CSCCNC(C)c1ccncc1 2230a_100000181269_100000751147 [0,2,0,0,0,0|2,0,0]=4 8636 B13R1.24 CSCCNC(C)c1ccncc1 269862a_100020590264_100000185792 [0,2,0,0,0,0|2,0,0]=4 8637 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,2,0,0,0,0|1,0,0]=3 8638 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,2,0,0,0,0|1,0,0]=3 8639 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,2,0,0,0,0|1,0,0]=3 8640 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,2,0,0,0,0|1,0,0]=3 8641 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,2,0,0,0,0|1,0,0]=3 8642 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,2,0,0,0,0|1,0,0]=3 8643 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,2,0,0,0,0|1,0,0]=3 8644 B13R1.24 CSCNCC(C)c1ccccc1 2230a_100000701038_100011218213 [0,2,0,0,0,0|0,0,0]=2 8645 B13R1.24 CSCNCC(C)c1ccccc1 34a_100000701038_100011218213 [0,2,0,0,0,0|0,0,0]=2 8646 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [0,2,0,0,0,0|1,0,0]=3 8647 B13R1.24 CSCNCC(O)c1ccccn1 2230a_100000691469_100011218213 [0,2,0,0,0,0|2,0,0]=4 8648 B13R1.24 CSCNCC(O)c1cccnc1 2230a_100020605170_100011218213 [0,2,0,0,0,0|2,0,0]=4 8649 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,2,0,0,0,0|1,0,0]=3 8650 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,2,0,0,0,0|2,0,0]=4 8651 B13R1.24 CSCSCC(C)c1ccccc1 62a_100000756946_100011218213 [0,2,0,0,0,0|1,0,0]=3 8652 B13R1.24 CSCSCC(C)c1ccccc1 62a_100011218213_100000756946 [0,2,0,0,0,0|1,0,0]=3 8653 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [0,2,0,0,0,0|2,0,0]=4 8654 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [0,2,0,0,0,0|2,0,0]=4 8655 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [0,2,0,0,0,0|2,0,0]=4 8656 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [0,2,0,0,0,0|2,0,0]=4 8657 B13R1.24 C[C@@H](NCCC#N)c1ccccc1 2230a_100000751104_100011215226 [0,2,0,0,0,0|1,0,1]=4 8658 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,2,0,0,0,0|1,0,0]=3 8659 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,2,0,0,0,0|1,0,0]=3 8660 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,2,0,0,0,0|1,0,1]=4 8661 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,2,0,0,0,0|1,0,0]=3 8662 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,2,0,0,0,0|1,0,0]=3 8663 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,2,0,0,0,0|1,0,0]=3 8664 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,2,0,0,0,0|1,0,0]=3 8665 B13R1.24 N#CCNCC(O)c1ccccc1 2230a_100000210709_100011215382 [0,2,0,0,0,0|1,0,0]=3 8666 B13R1.24 N#CCNCC(O)c1ccccn1 2230a_100000691469_100011215382 [0,2,0,0,0,0|2,0,0]=4 8667 B13R1.24 N#CCNCC(O)c1cccnc1 2230a_100020605170_100011215382 [0,2,0,0,0,0|2,0,0]=4 8668 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100000185958_100011215382 [0,2,0,0,0,0|2,0,0]=4 8669 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100011215382_100000185958 [0,2,0,0,0,0|2,0,0]=4 8670 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011215382_100011933945 [0,2,0,0,0,0|2,0,0]=4 8671 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215382 [0,2,0,0,0,0|2,0,0]=4 8672 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,2,0,0,0,0|2,0,0]=4 8673 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,2,0,0,0,0|2,0,0]=4 8674 B13R1.24 N[C@@H](CCOCF)c1ccccc1 34a_100025705951_100015361967 [0,2,0,0,0,0|2,0,0]=4 8675 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [0,2,0,0,0,0|2,0,0]=4 8676 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|2,0,0]=4 8677 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|2,0,0]=4 8678 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [0,2,0,0,0,0|1,0,0]=3 8679 B13R1.24 O=CCNCC(O)c1ccccn1 2230a_100000691469_200015260668 [0,2,0,0,0,0|2,0,0]=4 8680 B13R1.24 O=CCNCC(O)c1cccnc1 2230a_100020605170_200015260668 [0,2,0,0,0,0|2,0,0]=4 8681 B13R1.24 O=CCSCC(O)c1ccccc1 62a_100000185958_200015260668 [0,2,0,0,0,0|2,0,0]=4 8682 B13R1.24 O=CCSCC(O)c1ccccc1 62a_200015260668_100000185958 [0,2,0,0,0,0|2,0,0]=4 8683 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_100011933945_200015260668 [0,2,0,0,0,0|2,0,0]=4 8684 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_200015260668_100011933945 [0,2,0,0,0,0|2,0,0]=4 8685 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [0,2,0,0,0,0|1,0,0]=3 8686 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [0,2,0,0,0,0|1,0,0]=3 8687 B13R1.24 OC(CNCCF)c1ccccn1 2230a_100000691469_100011217306 [0,2,0,0,0,0|2,0,0]=4 8688 B13R1.24 OC(CNCCF)c1cccnc1 2230a_100020605170_100011217306 [0,2,0,0,0,0|2,0,0]=4 8689 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,2,0,0,0,0|2,0,0]=4 8690 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [0,2,0,0,0,0|2,0,0]=4 8691 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [0,2,0,0,0,0|2,0,0]=4 8692 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [0,2,0,0,0,0|1,0,0]=3 8693 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [0,2,0,0,0,0|1,0,0]=3 8694 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [0,2,0,0,0,0|1,0,0]=3 8695 B13R1.24 OCCNCC(O)c1ccccn1 2230a_100000691469_100000211926 [0,2,0,0,0,0|2,0,0]=4 8696 B13R1.24 OCCNCC(O)c1cccnc1 2230a_100020605170_100000211926 [0,2,0,0,0,0|2,0,0]=4 8697 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [0,2,0,0,0,0|1,0,0]=3 8698 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [0,2,0,0,0,0|1,0,0]=3 8699 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [0,2,0,0,0,0|2,0,0]=4 8700 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [0,2,0,0,0,0|2,0,0]=4 8701 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [0,2,0,0,0,0|2,0,0]=4 8702 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 8703 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [0,2,0,0,0,0|2,0,0]=4 8704 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [0,2,0,0,0,0|2,0,0]=4 8705 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [0,2,0,0,0,0|1,0,0]=3 8706 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,2,0,0,0,0|2,0,0]=4 8707 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [0,2,0,0,0,0|2,0,0]=4 8708 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [0,2,0,0,0,0|2,0,0]=4 8709 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [0,2,0,0,0,0|1,0,1]=4 8710 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 8711 B13R1.45 C=C(C)CCN(C)c1ccccc1 2230a_100000210012_100000730704 [0,2,0,0,0,0|2,0,0]=4 8712 B13R1.45 C=C(C)CCN(C)c1ccccc1 269982a_100000210012_100000730704 [0,2,0,0,0,0|2,0,0]=4 8713 B13R1.45 C=C(C)CCN(C)c1ccccc1 34a_100000210012_100000730704 [0,2,0,0,0,0|2,0,0]=4 8714 B13R1.45 C=C(C)CNC(C)c1ccccn1 2230a_100000181244_100000748629 [0,2,0,0,0,0|2,0,0]=4 8715 B13R1.45 C=C(C)CNC(C)c1cccnc1 2230a_100000195435_100000748629 [0,2,0,0,0,0|2,0,0]=4 8716 B13R1.45 C=C(C)CNC(C)c1ccncc1 2230a_100000181269_100000748629 [0,2,0,0,0,0|2,0,0]=4 8717 B13R1.45 C=C(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000748629 [0,2,0,0,0,0|1,0,0]=3 8718 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,2,0,0,0,0|1,0,0]=3 8719 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,2,0,0,0,0|1,0,0]=3 8720 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,2,0,0,0,0|1,0,0]=3 8721 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000230085_100000211660 [0,2,0,0,0,0|1,0,0]=3 8722 B13R1.45 C=C(C)CSC(C)c1ccccc1 62a_100000748629_100000230085 [0,2,0,0,0,0|1,0,0]=3 8723 B13R1.45 C=C(F)CN[C@H](C)c1ccccc1 2230a_100000751104_100009893438 [0,2,0,0,0,0|1,0,1]=4 8724 B13R1.45 C=C(F)COC(C)c1ccccc1 34a_200010262243_100000211855 [0,2,0,0,0,0|1,0,1]=4 8725 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 34a_100000761318_100009893438 [0,2,0,0,0,0|1,0,1]=4 8726 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 7a_100000761318_100000042424 [0,2,0,0,0,0|1,0,1]=4 8727 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000042424_100000230085 [0,2,0,0,0,0|1,0,1]=4 8728 B13R1.45 C=C(F)CSC(C)c1ccccc1 62a_100000230085_100000042424 [0,2,0,0,0,0|1,0,1]=4 8729 B13R1.45 CC(=CCN(C)c1ccccc1)C 2230a_100000210012_100000761012 [0,2,0,0,0,0|2,0,0]=4 8730 B13R1.45 CC(=CCN(C)c1ccccc1)C 269982a_100000210012_100000761012 [0,2,0,0,0,0|2,0,0]=4 8731 B13R1.45 CC(=CCN(C)c1ccccc1)C 34a_100000210012_100000761012 [0,2,0,0,0,0|2,0,0]=4 8732 B13R1.45 CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000185851 [0,2,0,0,0,0|1,0,1]=4 8733 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,2,0,0,0,0|2,0,0]=4 8734 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,2,0,0,0,0|2,0,0]=4 8735 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,2,0,0,0,0|1,0,0]=3 8736 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,2,0,0,0,0|0,0,0]=2 8737 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,2,0,0,0,0|0,0,0]=2 8738 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,2,0,0,0,0|0,0,0]=2 8739 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,2,0,0,0,0|0,0,0]=2 8740 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,2,0,0,0,0|1,0,0]=3 8741 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,2,0,0,0,0|1,0,0]=3 8742 B13R1.45 CC(=O)NCC(O)c1ccccn1 240690a_100000691469_100015343762 [0,2,0,0,0,0|2,0,0]=4 8743 B13R1.45 CC(=O)NCC(O)c1ccccn1 527a_100000691469_100103153847 [0,2,0,0,0,0|2,0,0]=4 8744 B13R1.45 CC(=O)NCC(O)c1cccnc1 240690a_100020605170_100015343762 [0,2,0,0,0,0|2,0,0]=4 8745 B13R1.45 CC(=O)NCC(O)c1cccnc1 527a_100020605170_100103153847 [0,2,0,0,0,0|2,0,0]=4 8746 B13R1.45 CC(=O)NN=C(C)c1ccccc1 4a_100000189765_100000185851 [0,2,0,0,0,0|1,0,1]=4 8747 B13R1.45 CC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000076356 [0,2,0,0,0,0|2,0,0]=4 8748 B13R1.45 CC(=O)OCN(C)c1ccccc1 34a_100000210012_100009813279 [0,2,0,0,0,0|2,0,0]=4 8749 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,2,0,0,0,0|1,0,0]=3 8750 B13R1.45 CC(C)CCN(C)c1ccccc1 2230a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 8751 B13R1.45 CC(C)CCN(C)c1ccccc1 269982a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 8752 B13R1.45 CC(C)CCN(C)c1ccccc1 34a_100000210012_100000210312 [0,2,0,0,0,0|2,0,0]=4 8753 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,2,0,0,0,0|1,0,0]=3 8754 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,2,0,0,0,0|1,0,0]=3 8755 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,2,0,0,0,0|1,0,0]=3 8756 B13R1.45 CC(C)CNC(C)c1ccccn1 2230a_100000181244_100000210760 [0,2,0,0,0,0|2,0,0]=4 8757 B13R1.45 CC(C)CNC(C)c1ccccn1 269862a_100000210953_100000210467 [0,2,0,0,0,0|2,0,0]=4 8758 B13R1.45 CC(C)CNC(C)c1ccccn1 270004a_100000181244_100000210432 [0,2,0,0,0,0|2,0,0]=4 8759 B13R1.45 CC(C)CNC(C)c1cccnc1 2230a_100000195435_100000210760 [0,2,0,0,0,0|2,0,0]=4 8760 B13R1.45 CC(C)CNC(C)c1cccnc1 269862a_100000210953_100000210468 [0,2,0,0,0,0|2,0,0]=4 8761 B13R1.45 CC(C)CNC(C)c1cccnc1 270004a_100000195435_100000210432 [0,2,0,0,0,0|2,0,0]=4 8762 B13R1.45 CC(C)CNC(C)c1ccncc1 2230a_100000181269_100000210760 [0,2,0,0,0,0|2,0,0]=4 8763 B13R1.45 CC(C)CNC(C)c1ccncc1 269862a_100000210953_100000185792 [0,2,0,0,0,0|2,0,0]=4 8764 B13R1.45 CC(C)CNC(C)c1ccncc1 270004a_100000181269_100000210432 [0,2,0,0,0,0|2,0,0]=4 8765 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,2,0,0,0,0|1,0,0]=3 8766 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,2,0,0,0,0|1,0,0]=3 8767 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,2,0,0,0,0|1,0,0]=3 8768 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,2,0,0,0,0|1,0,0]=3 8769 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,2,0,0,0,0|1,0,0]=3 8770 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,2,0,0,0,0|1,0,0]=3 8771 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,2,0,0,0,0|1,0,0]=3 8772 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,2,0,0,0,0|0,0,0]=2 8773 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,2,0,0,0,0|0,0,0]=2 8774 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,2,0,0,0,0|0,0,0]=2 8775 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,2,0,0,0,0|0,0,0]=2 8776 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,2,0,0,0,0|1,0,0]=3 8777 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,2,0,0,0,0|1,0,0]=3 8778 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,2,0,0,0,0|1,0,0]=3 8779 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [0,2,0,0,0,0|2,0,0]=4 8780 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [0,2,0,0,0,0|2,0,0]=4 8781 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,2,0,0,0,0|1,0,0]=3 8782 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,2,0,0,0,0|1,0,0]=3 8783 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,2,0,0,0,0|1,0,0]=3 8784 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,2,0,0,0,0|1,0,0]=3 8785 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,2,0,0,0,0|1,0,0]=3 8786 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,2,0,0,0,0|2,0,0]=4 8787 B13R1.45 CC(C)OCN(C)c1ccccc1 2230a_100000210012_100000709892 [0,2,0,0,0,0|2,0,0]=4 8788 B13R1.45 CC(C)OCN(C)c1ccccc1 269982a_100000210012_100000709892 [0,2,0,0,0,0|2,0,0]=4 8789 B13R1.45 CC(C)OCN(C)c1ccccc1 34a_100000210012_100000709892 [0,2,0,0,0,0|2,0,0]=4 8790 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 8791 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,2,0,0,0,0|2,0,0]=4 8792 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,2,0,0,0,0|1,0,0]=3 8793 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,2,0,0,0,0|1,0,0]=3 8794 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,2,0,0,0,0|2,0,0]=4 8795 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,2,0,0,0,0|2,0,0]=4 8796 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,2,0,0,0,0|2,0,0]=4 8797 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,2,0,0,0,0|2,0,0]=4 8798 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,2,0,0,0,0|0,0,0]=2 8799 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,2,0,0,0,0|1,0,0]=3 8800 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,2,0,0,0,0|2,0,0]=4 8801 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,2,0,0,0,0|2,0,0]=4 8802 B13R1.45 CC(NCC(F)F)c1ccccc1 34a_100000765723_100000211855 [0,2,0,0,0,0|2,0,0]=4 8803 B13R1.45 CC(NC[C@@H](C)O)c1ccccn1 2230a_100000181244_100009817552 [0,2,0,0,0,0|2,0,0]=4 8804 B13R1.45 CC(NC[C@@H](C)O)c1cccnc1 2230a_100000195435_100009817552 [0,2,0,0,0,0|2,0,0]=4 8805 B13R1.45 CC(NC[C@@H](C)O)c1ccncc1 2230a_100000181269_100009817552 [0,2,0,0,0,0|2,0,0]=4 8806 B13R1.45 CC(O)CCN(C)c1ccccc1 2230a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 8807 B13R1.45 CC(O)CCN(C)c1ccccc1 269982a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 8808 B13R1.45 CC(O)CCN(C)c1ccccc1 34a_100000210012_100012276601 [0,2,0,0,0,0|2,0,0]=4 8809 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,2,0,0,0,0|1,0,0]=3 8810 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,2,0,0,0,0|1,0,0]=3 8811 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|1,0,0]=3 8812 B13R1.45 CC(O)CNC(C)c1ccccn1 2230a_100000181244_100011218427 [0,2,0,0,0,0|2,0,0]=4 8813 B13R1.45 CC(O)CNC(C)c1ccccn1 269862a_100000210904_100000210467 [0,2,0,0,0,0|2,0,0]=4 8814 B13R1.45 CC(O)CNC(C)c1cccnc1 2230a_100000195435_100011218427 [0,2,0,0,0,0|2,0,0]=4 8815 B13R1.45 CC(O)CNC(C)c1cccnc1 269862a_100000210904_100000210468 [0,2,0,0,0,0|2,0,0]=4 8816 B13R1.45 CC(O)CNC(C)c1ccncc1 2230a_100000181269_100011218427 [0,2,0,0,0,0|2,0,0]=4 8817 B13R1.45 CC(O)CNC(C)c1ccncc1 269862a_100000210904_100000185792 [0,2,0,0,0,0|2,0,0]=4 8818 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,2,0,0,0,0|1,0,0]=3 8819 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,2,0,0,0,0|1,0,0]=3 8820 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,2,0,0,0,0|1,0,0]=3 8821 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,2,0,0,0,0|1,0,0]=3 8822 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,2,0,0,0,0|1,0,0]=3 8823 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,2,0,0,0,0|2,0,0]=4 8824 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,2,0,0,0,0|1,0,0]=3 8825 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,2,0,0,0,0|1,0,0]=3 8826 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,2,0,0,0,0|2,0,0]=4 8827 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,2,0,0,0,0|2,0,0]=4 8828 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,2,0,0,0,0|2,0,0]=4 8829 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,2,0,0,0,0|2,0,0]=4 8830 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100000230085_100011934356 [0,2,0,0,0,0|2,0,0]=4 8831 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100011934356_100000230085 [0,2,0,0,0,0|2,0,0]=4 8832 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,2,0,0,0,0|1,0,0]=3 8833 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,2,0,0,0,0|1,0,0]=3 8834 B13R1.45 CC(SC[N+](=O)[O-])c1ccccc1 62a_100000230085_100000761209 [0,2,0,0,0,0|1,0,1]=4 8835 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [0,2,0,0,0,0|1,0,1]=4 8836 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [0,2,0,0,0,0|1,0,1]=4 8837 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,2,0,0,0,0|1,0,0]=3 8838 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,2,0,0,0,0|1,0,0]=3 8839 B13R1.45 CN(C)CCN(C)c1ccccc1 2230a_106657271745_200000210301 [0,2,0,0,0,0|1,0,0]=3 8840 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_100000210012_100000755713 [0,2,0,0,0,0|1,0,0]=3 8841 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_106657271745_200000210301 [0,2,0,0,0,0|1,0,0]=3 8842 B13R1.45 CN(C)CCN(C)c1ccccc1 269982a_200000219566_200000210301 [0,2,0,0,0,0|1,0,0]=3 8843 B13R1.45 CN(C)CCN([13CH3])c1ccccc1 269982a_200000219566_200025704644 [0,2,0,0,0,0|1,0,0]=3 8844 B13R1.45 CN(C)CCS(=O)c1ccccc1 2230a_100102631434_100000740319 [0,2,0,0,0,0|2,0,0]=4 8845 B13R1.45 CN(C)CCS(=O)c1ccccc1 269982a_100102631434_100000740319 [0,2,0,0,0,0|2,0,0]=4 8846 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,2,0,0,0,0|1,0,0]=3 8847 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,2,0,0,0,0|1,0,0]=3 8848 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [0,2,0,0,0,0|1,0,1]=4 8849 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,2,0,0,0,0|1,0,0]=3 8850 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,2,0,0,0,0|1,0,0]=3 8851 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 2230a_106657271745_200025704644 [0,2,0,0,0,0|1,0,0]=3 8852 B13R1.45 CN([13CH3])CCN(C)c1ccccc1 269982a_106657271745_200025704644 [0,2,0,0,0,0|1,0,0]=3 8853 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,2,0,0,0,0|2,0,0]=4 8854 B13R1.45 C[C@@H](NCC(F)F)c1ccccc1 2230a_100000751104_100011934356 [0,2,0,0,0,0|2,0,0]=4 8855 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,2,0,0,0,0|1,0,0]=3 8856 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,2,0,0,0,0|1,0,0]=3 8857 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,2,0,0,0,0|1,0,0]=3 8858 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,2,0,0,0,0|2,0,0]=4 8859 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,2,0,0,0,0|2,0,0]=4 8860 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,2,0,0,0,0|2,0,0]=4 8861 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,2,0,0,0,0|2,0,0]=4 8862 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,2,0,0,0,0|2,0,0]=4 8863 B13R1.45 C[C@@H](OC[N+](=O)[O-])c1ccccc1 34a_100000761318_100000761209 [0,2,0,0,0,0|1,0,1]=4 8864 B13R1.122 C#CCNC(C)(C)c1ccccc1 2230a_100011218174_100000038162 [0,2,0,0,0,0|1,0,1]=4 8865 B13R1.122 C#CCOC(C)(C)c1ccccc1 7a_100000694644_100000038162 [0,2,0,0,0,0|1,0,1]=4 8866 B13R1.122 C#CCSC(C)(C)c1ccccc1 62a_100000038162_100000034625 [0,2,0,0,0,0|1,0,1]=4 8867 B13R1.122 C=CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210623 [0,2,0,0,0,0|1,0,1]=4 8868 B13R1.122 C=CCNC(C)(C)c1ccccc1 2230a_100020586998_100000034625 [0,2,0,0,0,0|1,0,1]=4 8869 B13R1.122 C=CCOC(C)(C)c1ccccc1 7a_100000694644_100015514636 [0,2,0,0,0,0|1,0,1]=4 8870 B13R1.122 C=CCSC(C)(C)c1ccccc1 62a_100000034625_100000210623 [0,2,0,0,0,0|1,0,1]=4 8871 B13R1.122 C=CCSC(C)(C)c1ccccc1 62a_100000210623_100000034625 [0,2,0,0,0,0|1,0,1]=4 8872 B13R1.122 CC(C)(COCF)c1ccccc1 7a_100000747608_100015361967 [0,2,0,0,0,0|1,0,0]=3 8873 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100000703224_100015361967 [0,2,0,0,0,0|1,0,0]=3 8874 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100015361967_100000703224 [0,2,0,0,0,0|1,0,0]=3 8875 B13R1.122 CC(C)(NCC#N)c1ccccc1 2230a_100011218174_100011215382 [0,2,0,0,0,0|2,0,0]=4 8876 B13R1.122 CC(C)(NCC=O)c1ccccc1 2230a_100011218174_200015260668 [0,2,0,0,0,0|2,0,0]=4 8877 B13R1.122 CC(C)(NCCF)c1ccccc1 2230a_100011218174_100011217306 [0,2,0,0,0,0|2,0,0]=4 8878 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100011218174_100000211926 [0,2,0,0,0,0|2,0,0]=4 8879 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100016997473_100000034625 [0,2,0,0,0,0|2,0,0]=4 8880 B13R1.122 CC(C)(OCC#N)c1ccccc1 7a_100000694644_100011215382 [0,2,0,0,0,0|2,0,0]=4 8881 B13R1.122 CC(C)(OCC=O)c1ccccc1 7a_100000694644_200015260668 [0,2,0,0,0,0|2,0,0]=4 8882 B13R1.122 CC(C)(OCCF)c1ccccc1 7a_100000694644_100011217306 [0,2,0,0,0,0|2,0,0]=4 8883 B13R1.122 CC(C)(OCCO)c1ccccc1 7a_100000694644_100000211926 [0,2,0,0,0,0|2,0,0]=4 8884 B13R1.122 CC(C)(SCC#N)c1ccccc1 62a_100000034625_100011215382 [0,2,0,0,0,0|2,0,0]=4 8885 B13R1.122 CC(C)(SCC#N)c1ccccc1 62a_100011215382_100000034625 [0,2,0,0,0,0|2,0,0]=4 8886 B13R1.122 CC(C)(SCC=O)c1ccccc1 62a_100000034625_200015260668 [0,2,0,0,0,0|2,0,0]=4 8887 B13R1.122 CC(C)(SCC=O)c1ccccc1 62a_200015260668_100000034625 [0,2,0,0,0,0|2,0,0]=4 8888 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100000034625_100011217306 [0,2,0,0,0,0|2,0,0]=4 8889 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100011217306_100000034625 [0,2,0,0,0,0|2,0,0]=4 8890 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000034625_100000211926 [0,2,0,0,0,0|2,0,0]=4 8891 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000211926_100000034625 [0,2,0,0,0,0|2,0,0]=4 8892 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,2,0,0,0,0|1,0,0]=3 8893 B13R1.122 CCCNC(C)(C)c1ccccn1 2230a_100011999416_100000210303 [0,2,0,0,0,0|2,0,0]=4 8894 B13R1.122 CCCNC(C)(C)c1cccnc1 2230a_100011376175_100000210303 [0,2,0,0,0,0|2,0,0]=4 8895 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,2,0,0,0,0|1,0,0]=3 8896 B13R1.122 CCCOC(C)(C)c1ccccn1 7a_100000041474_100000210303 [0,2,0,0,0,0|2,0,0]=4 8897 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,2,0,0,0,0|1,0,0]=3 8898 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,2,0,0,0,0|1,0,0]=3 8899 B13R1.122 CCCSC(F)(F)c1ccccc1 62a_100000210303_100000036403 [0,2,0,0,0,0|2,0,0]=4 8900 B13R1.122 CCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210202 [0,2,0,0,0,0|0,0,0]=2 8901 B13R1.122 CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210202 [0,2,0,0,0,0|0,0,0]=2 8902 B13R1.122 CCNCC(F)(F)c1ccccc1 34a_100000717977_100000210202 [0,2,0,0,0,0|1,0,0]=3 8903 B13R1.122 CCNC[Si](C)(C)c1ccccc1 2230a_100015525214_100000038972 [0,2,0,0,0,0|0,1,0]=3 8904 B13R1.122 CCOCC(C)(C)c1ccccc1 7a_100000747608_100000210202 [0,2,0,0,0,0|1,0,0]=3 8905 B13R1.122 CCOCC(F)(F)c1ccccc1 34a_100121572206_100009875531 [0,2,0,0,0,0|2,0,0]=4 8906 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000210202_100000703224 [0,2,0,0,0,0|1,0,0]=3 8907 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000703224_100000210202 [0,2,0,0,0,0|1,0,0]=3 8908 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100000210202_100009875531 [0,2,0,0,0,0|2,0,0]=4 8909 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100009875531_100000210202 [0,2,0,0,0,0|2,0,0]=4 8910 B13R1.122 CCSC[Si](C)(C)c1ccccc1 62a_100000038972_100000210202 [0,2,0,0,0,0|1,1,0]=4 8911 B13R1.122 CCSC[Si](C)(C)c1ccccc1 62a_100000210202_100000038972 [0,2,0,0,0,0|1,1,0]=4 8912 B13R1.122 CNCCS(=O)(=O)c1ccccc1 2230a_100000168333_200000210301 [0,2,0,0,0,0|2,0,0]=4 8913 B13R1.122 CNCCS(=O)(=O)c1ccccc1 2230a_106832991635_100000229977 [0,2,0,0,0,0|2,0,0]=4 8914 B13R1.122 CNCCS(=O)(=O)c1ccccc1 7a_106832991635_100000229977 [0,2,0,0,0,0|2,0,0]=4 8915 B13R1.122 COCNC(C)(C)c1ccccc1 2230a_100011218174_100000766300 [0,2,0,0,0,0|1,0,0]=3 8916 B13R1.122 COCNC(C)(C)c1ccccn1 2230a_100011999416_100000766300 [0,2,0,0,0,0|2,0,0]=4 8917 B13R1.122 COCNC(C)(C)c1cccnc1 2230a_100011376175_100000766300 [0,2,0,0,0,0|2,0,0]=4 8918 B13R1.122 COCSC(C)(C)c1ccccc1 62a_100000034625_100000766300 [0,2,0,0,0,0|1,0,0]=3 8919 B13R1.122 COCSC(C)(C)c1ccccc1 62a_100000766300_100000034625 [0,2,0,0,0,0|1,0,0]=3 8920 B13R1.122 COCSC(F)(F)c1ccccc1 62a_100000766300_100000036403 [0,2,0,0,0,0|2,0,0]=4 8921 B13R1.122 CSCNC(C)(C)c1ccccc1 2230a_100011218174_100011218213 [0,2,0,0,0,0|1,0,0]=3 8922 B13R1.122 CSCNC(C)(C)c1ccccn1 2230a_100011999416_100011218213 [0,2,0,0,0,0|2,0,0]=4 8923 B13R1.122 CSCNC(C)(C)c1cccnc1 2230a_100011376175_100011218213 [0,2,0,0,0,0|2,0,0]=4 8924 B13R1.122 CSCSC(C)(C)c1ccccc1 62a_100000034625_100011218213 [0,2,0,0,0,0|1,0,0]=3 8925 B13R1.122 CSCSC(C)(C)c1ccccc1 62a_100011218213_100000034625 [0,2,0,0,0,0|1,0,0]=3 8926 B13R1.122 CSCSC(F)(F)c1ccccc1 62a_100011218213_100000036403 [0,2,0,0,0,0|2,0,0]=4 8927 B13R1.122 C[Si](C)(CSCF)c1ccccc1 62a_100000038972_100015361967 [0,2,0,0,0,0|1,1,0]=4 8928 B13R1.122 C[Si](C)(CSCF)c1ccccc1 62a_100015361967_100000038972 [0,2,0,0,0,0|1,1,0]=4 8929 B13R1.122 FCNCC(F)(F)c1ccccc1 34a_100000717977_100015361967 [0,2,0,0,0,0|1,0,0]=3 8930 B13R1.122 FCSCC(F)(F)c1ccccc1 62a_100009875531_100015361967 [0,2,0,0,0,0|2,0,0]=4 8931 B13R1.122 FCSCC(F)(F)c1ccccc1 62a_100015361967_100009875531 [0,2,0,0,0,0|2,0,0]=4 8932 B13R1.122 [13CH3]NCCS(=O)(=O)c1ccccc1 2230a_100000168333_200025704644 [0,2,0,0,0,0|2,0,0]=4 8933 B13R1.674 C#CCNC(C)c1ccccc1Br 2230a_100000181357_100000038162 [0,2,0,0,0,0|1,0,1]=4 8934 B13R1.674 C#CCNC(C)c1ccccc1C 2230a_100000181355_100000038162 [0,2,0,0,0,0|1,0,1]=4 8935 B13R1.674 C#CCNC(C)c1ccccc1C 34a_100000181355_100000184674 [0,2,0,0,0,0|1,0,1]=4 8936 B13R1.674 C#CCNC(C)c1ccccc1Cl 2230a_100000174978_100000038162 [0,2,0,0,0,0|1,0,1]=4 8937 B13R1.674 C#CCNC(C)c1ccccc1Cl 34a_100000174978_100000184674 [0,2,0,0,0,0|1,0,1]=4 8938 B13R1.674 C#CCNC(C)c1ccccc1F 2230a_100000181408_100000038162 [0,2,0,0,0,0|1,0,1]=4 8939 B13R1.674 C#CCNC(C)c1ccccc1F 34a_100000181408_100000184674 [0,2,0,0,0,0|1,0,1]=4 8940 B13R1.674 C#CCNC(C)c1ccccc1F 34a_100000212058_200000741388 [0,2,0,0,0,0|1,0,1]=4 8941 B13R1.674 C#CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000038162 [0,2,0,0,0,0|1,0,1]=4 8942 B13R1.674 C#CCOC(C)c1ccccc1Br 34a_100000702211_100000184674 [0,2,0,0,0,0|1,0,1]=4 8943 B13R1.674 C#CCOC(C)c1ccccc1Br 7a_100000702211_100000038162 [0,2,0,0,0,0|1,0,1]=4 8944 B13R1.674 C#CCOC(C)c1ccccc1C 34a_100000742021_100000184674 [0,2,0,0,0,0|1,0,1]=4 8945 B13R1.674 C#CCOC(C)c1ccccc1C 7a_100000742021_100000038162 [0,2,0,0,0,0|1,0,1]=4 8946 B13R1.674 C#CCOC(C)c1ccccc1Cl 34a_100000740796_100000184674 [0,2,0,0,0,0|1,0,1]=4 8947 B13R1.674 C#CCOC(C)c1ccccc1Cl 7a_100000740796_100000038162 [0,2,0,0,0,0|1,0,1]=4 8948 B13R1.674 C#CCOC(C)c1ccccc1F 34a_100000210247_200000741388 [0,2,0,0,0,0|1,0,1]=4 8949 B13R1.674 C#CCOC(C)c1ccccc1F 34a_100000697922_100000184674 [0,2,0,0,0,0|1,0,1]=4 8950 B13R1.674 C#CCOC(C)c1ccccc1F 7a_100000697922_100000038162 [0,2,0,0,0,0|1,0,1]=4 8951 B13R1.674 C#CCOC(C)c1ccccc1N 7a_100011405641_100000038162 [0,2,0,0,0,0|1,0,1]=4 8952 B13R1.674 C#CCSC(C)c1ccccc1Cl 62a_100000038162_100000181259 [0,2,0,0,0,0|1,0,1]=4 8953 B13R1.674 C#CCSC(C)c1ccccc1F 62a_100000038162_200000741388 [0,2,0,0,0,0|1,0,1]=4 8954 B13R1.674 C/C=C/CN(C)c1ccccc1Br 269982a_100020606079_100102629194 [0,2,0,0,0,0|2,0,0]=4 8955 B13R1.674 C/C=C/CN(C)c1ccccc1Br 34a_100020606079_100102629194 [0,2,0,0,0,0|2,0,0]=4 8956 B13R1.674 C/C=C/CN(C)c1ccccc1C 269982a_100000219699_100102629194 [0,2,0,0,0,0|2,0,0]=4 8957 B13R1.674 C/C=C/CN(C)c1ccccc1C 34a_100000219699_100102629194 [0,2,0,0,0,0|2,0,0]=4 8958 B13R1.674 C/C=C/CN(C)c1ccccc1Cl 269982a_100000219374_100102629194 [0,2,0,0,0,0|2,0,0]=4 8959 B13R1.674 C/C=C/CN(C)c1ccccc1Cl 34a_100000219374_100102629194 [0,2,0,0,0,0|2,0,0]=4 8960 B13R1.674 C/C=C/CN(C)c1ccccc1F 269982a_100000220357_100102629194 [0,2,0,0,0,0|2,0,0]=4 8961 B13R1.674 C/C=C/CN(C)c1ccccc1F 34a_100000220357_100102629194 [0,2,0,0,0,0|2,0,0]=4 8962 B13R1.674 C/C=C/CN(C)c1ccccc1O 269982a_100000033821_100102629194 [0,2,0,0,0,0|2,0,0]=4 8963 B13R1.674 C=CCNC(C)c1ccccc1Br 2230a_100000181357_100000210623 [0,2,0,0,0,0|1,0,1]=4 8964 B13R1.674 C=CCNC(C)c1ccccc1C 2230a_100000181355_100000210623 [0,2,0,0,0,0|1,0,1]=4 8965 B13R1.674 C=CCNC(C)c1ccccc1C 34a_100000181355_100015514636 [0,2,0,0,0,0|1,0,1]=4 8966 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210623 [0,2,0,0,0,0|1,0,1]=4 8967 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100020586998_100000181259 [0,2,0,0,0,0|1,0,1]=4 8968 B13R1.674 C=CCNC(C)c1ccccc1Cl 34a_100000174978_100015514636 [0,2,0,0,0,0|1,0,1]=4 8969 B13R1.674 C=CCNC(C)c1ccccc1F 2230a_100000181408_100000210623 [0,2,0,0,0,0|1,0,1]=4 8970 B13R1.674 C=CCNC(C)c1ccccc1F 2230a_100020586998_200000741388 [0,2,0,0,0,0|1,0,1]=4 8971 B13R1.674 C=CCNC(C)c1ccccc1F 34a_100000181408_100015514636 [0,2,0,0,0,0|1,0,1]=4 8972 B13R1.674 C=CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210623 [0,2,0,0,0,0|1,0,1]=4 8973 B13R1.674 C=CCOC(C)c1ccccc1Br 34a_100000702211_100015514636 [0,2,0,0,0,0|1,0,1]=4 8974 B13R1.674 C=CCOC(C)c1ccccc1Br 7a_100000702211_100015514636 [0,2,0,0,0,0|1,0,1]=4 8975 B13R1.674 C=CCOC(C)c1ccccc1C 34a_100000742021_100015514636 [0,2,0,0,0,0|1,0,1]=4 8976 B13R1.674 C=CCOC(C)c1ccccc1C 7a_100000742021_100015514636 [0,2,0,0,0,0|1,0,1]=4 8977 B13R1.674 C=CCOC(C)c1ccccc1Cl 34a_100000740796_100015514636 [0,2,0,0,0,0|1,0,1]=4 8978 B13R1.674 C=CCOC(C)c1ccccc1Cl 7a_100000740796_100015514636 [0,2,0,0,0,0|1,0,1]=4 8979 B13R1.674 C=CCOC(C)c1ccccc1F 34a_100000697922_100015514636 [0,2,0,0,0,0|1,0,1]=4 8980 B13R1.674 C=CCOC(C)c1ccccc1F 34a_200000210373_200000741388 [0,2,0,0,0,0|1,0,1]=4 8981 B13R1.674 C=CCOC(C)c1ccccc1F 7a_100000697922_100015514636 [0,2,0,0,0,0|1,0,1]=4 8982 B13R1.674 C=CCOC(C)c1ccccc1N 7a_100011405641_100015514636 [0,2,0,0,0,0|1,0,1]=4 8983 B13R1.674 C=CCSC(C)c1ccccc1Cl 62a_100000181259_100000210623 [0,2,0,0,0,0|1,0,1]=4 8984 B13R1.674 C=CCSC(C)c1ccccc1Cl 62a_100000210623_100000181259 [0,2,0,0,0,0|1,0,1]=4 8985 B13R1.674 C=CCSC(C)c1ccccc1F 62a_100000210623_200000741388 [0,2,0,0,0,0|1,0,1]=4 8986 B13R1.674 C=CCSC(C)c1ccccc1F 62a_200000741388_100000210623 [0,2,0,0,0,0|1,0,1]=4 8987 B13R1.674 CC#CCN(C)c1ccccc1Br 2230a_100020606079_100000748600 [0,2,0,0,0,0|2,0,0]=4 8988 B13R1.674 CC#CCN(C)c1ccccc1Br 34a_100020606079_100000748600 [0,2,0,0,0,0|2,0,0]=4 8989 B13R1.674 CC#CCN(C)c1ccccc1C 2230a_100000219699_100000748600 [0,2,0,0,0,0|2,0,0]=4 8990 B13R1.674 CC#CCN(C)c1ccccc1C 34a_100000219699_100000748600 [0,2,0,0,0,0|2,0,0]=4 8991 B13R1.674 CC#CCN(C)c1ccccc1Cl 2230a_100000219374_100000748600 [0,2,0,0,0,0|2,0,0]=4 8992 B13R1.674 CC#CCN(C)c1ccccc1Cl 34a_100000219374_100000748600 [0,2,0,0,0,0|2,0,0]=4 8993 B13R1.674 CC#CCN(C)c1ccccc1F 2230a_100000220357_100000748600 [0,2,0,0,0,0|2,0,0]=4 8994 B13R1.674 CC#CCN(C)c1ccccc1F 34a_100000220357_100000748600 [0,2,0,0,0,0|2,0,0]=4 8995 B13R1.674 CC#CCN(C)c1ccccc1F 38a_100000220357_100000748600 [0,2,0,0,0,0|2,0,0]=4 8996 B13R1.674 CC(NCC#N)c1ccccc1Br 2230a_100000181357_100011215382 [0,2,0,0,0,0|2,0,0]=4 8997 B13R1.674 CC(NCC#N)c1ccccc1Cl 2230a_100000174978_100011215382 [0,2,0,0,0,0|2,0,0]=4 8998 B13R1.674 CC(NCC#N)c1ccccc1F 2230a_100000181408_100011215382 [0,2,0,0,0,0|2,0,0]=4 8999 B13R1.674 CC(NCC=O)c1ccccc1Br 2230a_100000181357_200015260668 [0,2,0,0,0,0|2,0,0]=4 9000 B13R1.674 CC(NCC=O)c1ccccc1Cl 2230a_100000174978_200015260668 [0,2,0,0,0,0|2,0,0]=4 9001 B13R1.674 CC(NCC=O)c1ccccc1Cl 34a_100000174978_200009817547 [0,2,0,0,0,0|2,0,0]=4 9002 B13R1.674 CC(NCC=O)c1ccccc1F 2230a_100000181408_200015260668 [0,2,0,0,0,0|2,0,0]=4 9003 B13R1.674 CC(NCC=O)c1ccccc1F 34a_100000181408_200009817547 [0,2,0,0,0,0|2,0,0]=4 9004 B13R1.674 CC(NCCF)c1ccccc1Br 2230a_100000181357_100011217306 [0,2,0,0,0,0|2,0,0]=4 9005 B13R1.674 CC(NCCF)c1ccccc1Br 269862a_100000724931_100000187085 [0,2,0,0,0,0|2,0,0]=4 9006 B13R1.674 CC(NCCF)c1ccccc1Cl 2230a_100000174978_100011217306 [0,2,0,0,0,0|2,0,0]=4 9007 B13R1.674 CC(NCCF)c1ccccc1Cl 269862a_100000724931_100000210134 [0,2,0,0,0,0|2,0,0]=4 9008 B13R1.674 CC(NCCF)c1ccccc1Cl 34a_100000174978_100011217306 [0,2,0,0,0,0|2,0,0]=4 9009 B13R1.674 CC(NCCF)c1ccccc1F 2230a_100000181408_100011217306 [0,2,0,0,0,0|2,0,0]=4 9010 B13R1.674 CC(NCCF)c1ccccc1F 269862a_100000724931_100000210632 [0,2,0,0,0,0|2,0,0]=4 9011 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000181408_100011217306 [0,2,0,0,0,0|2,0,0]=4 9012 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000724931_200000741388 [0,2,0,0,0,0|2,0,0]=4 9013 B13R1.674 CC(NCCF)c1ccccc1I 269862a_100000724931_100000751169 [0,2,0,0,0,0|2,0,0]=4 9014 B13R1.674 CC(NCCO)c1ccccc1Br 2230a_100000181357_100000211926 [0,2,0,0,0,0|2,0,0]=4 9015 B13R1.674 CC(NCCO)c1ccccc1Br 269862a_100000210304_100000187085 [0,2,0,0,0,0|2,0,0]=4 9016 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 9017 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100016997473_100000181259 [0,2,0,0,0,0|2,0,0]=4 9018 B13R1.674 CC(NCCO)c1ccccc1Cl 269862a_100000210304_100000210134 [0,2,0,0,0,0|2,0,0]=4 9019 B13R1.674 CC(NCCO)c1ccccc1Cl 34a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 9020 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100000181408_100000211926 [0,2,0,0,0,0|2,0,0]=4 9021 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100016997473_200000741388 [0,2,0,0,0,0|2,0,0]=4 9022 B13R1.674 CC(NCCO)c1ccccc1F 269862a_100000210304_100000210632 [0,2,0,0,0,0|2,0,0]=4 9023 B13R1.674 CC(NCCO)c1ccccc1F 34a_100000181408_100000211926 [0,2,0,0,0,0|2,0,0]=4 9024 B13R1.674 CC(NCCO)c1ccccc1F 34a_100016990907_200000741388 [0,2,0,0,0,0|2,0,0]=4 9025 B13R1.674 CC(NCCO)c1ccccc1I 269862a_100000210304_100000751169 [0,2,0,0,0,0|2,0,0]=4 9026 B13R1.674 CC(OCC#N)c1ccccc1Br 7a_100000702211_100011215382 [0,2,0,0,0,0|2,0,0]=4 9027 B13R1.674 CC(OCC#N)c1ccccc1Cl 7a_100000740796_100011215382 [0,2,0,0,0,0|2,0,0]=4 9028 B13R1.674 CC(OCC#N)c1ccccc1F 7a_100000697922_100011215382 [0,2,0,0,0,0|2,0,0]=4 9029 B13R1.674 CC(OCC#N)c1ccccc1N 7a_100011405641_100011215382 [0,2,0,0,0,0|2,0,0]=4 9030 B13R1.674 CC(OCC=O)c1ccccc1Br 34a_100000702211_200009817547 [0,2,0,0,0,0|2,0,0]=4 9031 B13R1.674 CC(OCC=O)c1ccccc1Br 7a_100000702211_200015260668 [0,2,0,0,0,0|2,0,0]=4 9032 B13R1.674 CC(OCC=O)c1ccccc1Cl 34a_100000740796_200009817547 [0,2,0,0,0,0|2,0,0]=4 9033 B13R1.674 CC(OCC=O)c1ccccc1Cl 7a_100000740796_200015260668 [0,2,0,0,0,0|2,0,0]=4 9034 B13R1.674 CC(OCC=O)c1ccccc1F 34a_100000697922_200009817547 [0,2,0,0,0,0|2,0,0]=4 9035 B13R1.674 CC(OCC=O)c1ccccc1F 7a_100000697922_200015260668 [0,2,0,0,0,0|2,0,0]=4 9036 B13R1.674 CC(OCC=O)c1ccccc1N 7a_100011405641_200015260668 [0,2,0,0,0,0|2,0,0]=4 9037 B13R1.674 CC(OCCBr)c1ccccc1F 34a_100000211926_200000741388 [0,2,0,0,0,0|2,0,0]=4 9038 B13R1.674 CC(OCCF)c1ccccc1Br 34a_100000702211_100011217306 [0,2,0,0,0,0|2,0,0]=4 9039 B13R1.674 CC(OCCF)c1ccccc1Br 7a_100000702211_100011217306 [0,2,0,0,0,0|2,0,0]=4 9040 B13R1.674 CC(OCCF)c1ccccc1Cl 34a_100000740796_100011217306 [0,2,0,0,0,0|2,0,0]=4 9041 B13R1.674 CC(OCCF)c1ccccc1Cl 7a_100000740796_100011217306 [0,2,0,0,0,0|2,0,0]=4 9042 B13R1.674 CC(OCCF)c1ccccc1F 34a_100000697922_100011217306 [0,2,0,0,0,0|2,0,0]=4 9043 B13R1.674 CC(OCCF)c1ccccc1F 7a_100000697922_100011217306 [0,2,0,0,0,0|2,0,0]=4 9044 B13R1.674 CC(OCCF)c1ccccc1N 7a_100011405641_100011217306 [0,2,0,0,0,0|2,0,0]=4 9045 B13R1.674 CC(OCCN)c1ccccc1F 34a_100000210304_200000741388 [0,2,0,0,0,0|2,0,0]=4 9046 B13R1.674 CC(OCCO)c1ccccc1Br 34a_100000702211_100000211926 [0,2,0,0,0,0|2,0,0]=4 9047 B13R1.674 CC(OCCO)c1ccccc1Br 7a_100000702211_100000211926 [0,2,0,0,0,0|2,0,0]=4 9048 B13R1.674 CC(OCCO)c1ccccc1Cl 34a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 9049 B13R1.674 CC(OCCO)c1ccccc1Cl 7a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 9050 B13R1.674 CC(OCCO)c1ccccc1F 34a_100000697922_100000211926 [0,2,0,0,0,0|2,0,0]=4 9051 B13R1.674 CC(OCCO)c1ccccc1F 7a_100000697922_100000211926 [0,2,0,0,0,0|2,0,0]=4 9052 B13R1.674 CC(OCCO)c1ccccc1N 7a_100011405641_100000211926 [0,2,0,0,0,0|2,0,0]=4 9053 B13R1.674 CC(SCC#N)c1ccccc1Cl 62a_100000181259_100011215382 [0,2,0,0,0,0|2,0,0]=4 9054 B13R1.674 CC(SCC#N)c1ccccc1Cl 62a_100011215382_100000181259 [0,2,0,0,0,0|2,0,0]=4 9055 B13R1.674 CC(SCC#N)c1ccccc1F 62a_100011215382_200000741388 [0,2,0,0,0,0|2,0,0]=4 9056 B13R1.674 CC(SCC#N)c1ccccc1F 62a_200000741388_100011215382 [0,2,0,0,0,0|2,0,0]=4 9057 B13R1.674 CC(SCC=O)c1ccccc1Cl 62a_100000181259_200015260668 [0,2,0,0,0,0|2,0,0]=4 9058 B13R1.674 CC(SCC=O)c1ccccc1Cl 62a_200015260668_100000181259 [0,2,0,0,0,0|2,0,0]=4 9059 B13R1.674 CC(SCC=O)c1ccccc1F 62a_200000741388_200015260668 [0,2,0,0,0,0|2,0,0]=4 9060 B13R1.674 CC(SCC=O)c1ccccc1F 62a_200015260668_200000741388 [0,2,0,0,0,0|2,0,0]=4 9061 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100000181259_100011217306 [0,2,0,0,0,0|2,0,0]=4 9062 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100011217306_100000181259 [0,2,0,0,0,0|2,0,0]=4 9063 B13R1.674 CC(SCCF)c1ccccc1F 62a_100011217306_200000741388 [0,2,0,0,0,0|2,0,0]=4 9064 B13R1.674 CC(SCCF)c1ccccc1F 62a_200000741388_100011217306 [0,2,0,0,0,0|2,0,0]=4 9065 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000181259_100000211926 [0,2,0,0,0,0|2,0,0]=4 9066 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000211926_100000181259 [0,2,0,0,0,0|2,0,0]=4 9067 B13R1.674 CC(SCCO)c1ccccc1F 62a_100000211926_200000741388 [0,2,0,0,0,0|2,0,0]=4 9068 B13R1.674 CC(SCCO)c1ccccc1F 62a_200000741388_100000211926 [0,2,0,0,0,0|2,0,0]=4 9069 B13R1.674 CC=CCN(C)c1ccccc1Br 2230a_100020606079_100000070051 [0,2,0,0,0,0|2,0,0]=4 9070 B13R1.674 CC=CCN(C)c1ccccc1Br 34a_100020606079_100000070051 [0,2,0,0,0,0|2,0,0]=4 9071 B13R1.674 CC=CCN(C)c1ccccc1C 2230a_100000219699_100000070051 [0,2,0,0,0,0|2,0,0]=4 9072 B13R1.674 CC=CCN(C)c1ccccc1C 34a_100000219699_100000070051 [0,2,0,0,0,0|2,0,0]=4 9073 B13R1.674 CC=CCN(C)c1ccccc1Cl 2230a_100000219374_100000070051 [0,2,0,0,0,0|2,0,0]=4 9074 B13R1.674 CC=CCN(C)c1ccccc1Cl 34a_100000219374_100000070051 [0,2,0,0,0,0|2,0,0]=4 9075 B13R1.674 CC=CCN(C)c1ccccc1F 2230a_100000220357_100000070051 [0,2,0,0,0,0|2,0,0]=4 9076 B13R1.674 CC=CCN(C)c1ccccc1F 34a_100000220357_100000070051 [0,2,0,0,0,0|2,0,0]=4 9077 B13R1.674 CCCCN(C)c1ccccc1Br 2230a_100020606079_100000210211 [0,2,0,0,0,0|2,0,0]=4 9078 B13R1.674 CCCCN(C)c1ccccc1Br 269982a_100020606079_100000210211 [0,2,0,0,0,0|2,0,0]=4 9079 B13R1.674 CCCCN(C)c1ccccc1Br 34a_100020606079_100000210210 [0,2,0,0,0,0|2,0,0]=4 9080 B13R1.674 CCCCN(C)c1ccccc1C 2230a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 9081 B13R1.674 CCCCN(C)c1ccccc1C 269982a_100000219699_100000210211 [0,2,0,0,0,0|2,0,0]=4 9082 B13R1.674 CCCCN(C)c1ccccc1C 34a_100000219699_100000210210 [0,2,0,0,0,0|2,0,0]=4 9083 B13R1.674 CCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210211 [0,2,0,0,0,0|2,0,0]=4 9084 B13R1.674 CCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210211 [0,2,0,0,0,0|2,0,0]=4 9085 B13R1.674 CCCCN(C)c1ccccc1Cl 34a_100000219374_100000210210 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.674 CCCCN(C)c1ccccc1F 2230a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 9087 B13R1.674 CCCCN(C)c1ccccc1F 269982a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 9088 B13R1.674 CCCCN(C)c1ccccc1F 34a_100000220357_100000210210 [0,2,0,0,0,0|2,0,0]=4 9089 B13R1.674 CCCCN(C)c1ccccc1F 38a_100000220357_100000210211 [0,2,0,0,0,0|2,0,0]=4 9090 B13R1.674 CCCCN(C)c1ccccc1O 269982a_100000033821_100000210211 [0,2,0,0,0,0|2,0,0]=4 9091 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,2,0,0,0,0|1,0,0]=3 9092 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,2,0,0,0,0|1,0,0]=3 9093 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,2,0,0,0,0|1,0,0]=3 9094 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,2,0,0,0,0|1,0,0]=3 9095 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,2,0,0,0,0|1,0,0]=3 9096 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,2,0,0,0,0|1,0,0]=3 9097 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,2,0,0,0,0|1,0,0]=3 9098 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,2,0,0,0,0|1,0,0]=3 9099 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,2,0,0,0,0|1,0,0]=3 9100 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,2,0,0,0,0|1,0,0]=3 9101 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,2,0,0,0,0|1,0,0]=3 9102 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,2,0,0,0,0|1,0,0]=3 9103 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,2,0,0,0,0|1,0,0]=3 9104 B13R1.674 CCCNC(C)c1cccnc1C 269862a_100020643023_100011995960 [0,2,0,0,0,0|2,0,0]=4 9105 B13R1.674 CCCNC(C)c1cccnc1O 2230a_100159269580_100000210303 [0,2,0,0,0,0|2,0,0]=4 9106 B13R1.674 CCCNC(C)c1ccncc1Br 269862a_100020643023_100009993184 [0,2,0,0,0,0|2,0,0]=4 9107 B13R1.674 CCCNC(C)c1ccncc1Cl 269862a_100020643023_100012001414 [0,2,0,0,0,0|2,0,0]=4 9108 B13R1.674 CCCNC(C)c1ccncc1F 269862a_100020643023_100000727669 [0,2,0,0,0,0|2,0,0]=4 9109 B13R1.674 CCCNC(C)c1cnccc1C 269862a_100020643023_100000693228 [0,2,0,0,0,0|2,0,0]=4 9110 B13R1.674 CCCNC(C)c1cnccc1Cl 269862a_100020643023_100160469449 [0,2,0,0,0,0|2,0,0]=4 9111 B13R1.674 CCCNC(C)c1ncccc1Br 2230a_100159271932_100000210303 [0,2,0,0,0,0|2,0,0]=4 9112 B13R1.674 CCCNC(C)c1ncccc1Br 269862a_100020643023_100012348690 [0,2,0,0,0,0|2,0,0]=4 9113 B13R1.674 CCCNC(C)c1ncccc1C 2230a_100011536111_100000210303 [0,2,0,0,0,0|2,0,0]=4 9114 B13R1.674 CCCNC(C)c1ncccc1C 269862a_100020643023_100011536074 [0,2,0,0,0,0|2,0,0]=4 9115 B13R1.674 CCCNC(C)c1ncccc1Cl 269862a_100020643023_100015267551 [0,2,0,0,0,0|2,0,0]=4 9116 B13R1.674 CCCNC(C)c1ncccc1F 269862a_100020643023_100011997767 [0,2,0,0,0,0|2,0,0]=4 9117 B13R1.674 CCCNC(C)c1ncccc1I 269862a_100020643023_200015599370 [0,2,0,0,0,0|2,0,0]=4 9118 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,2,0,0,0,0|1,0,0]=3 9119 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,2,0,0,0,0|1,0,0]=3 9120 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,2,0,0,0,0|1,0,0]=3 9121 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,2,0,0,0,0|1,0,0]=3 9122 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,2,0,0,0,0|1,0,0]=3 9123 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,2,0,0,0,0|1,0,0]=3 9124 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,2,0,0,0,0|1,0,0]=3 9125 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,2,0,0,0,0|1,0,0]=3 9126 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,2,0,0,0,0|1,0,0]=3 9127 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,2,0,0,0,0|1,0,0]=3 9128 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,2,0,0,0,0|1,0,0]=3 9129 B13R1.674 CCCOC(C)c1cccnc1Cl 34a_100009865335_100000210303 [0,2,0,0,0,0|2,0,0]=4 9130 B13R1.674 CCCOC(C)c1cccnc1Cl 7a_100009865335_100000210303 [0,2,0,0,0,0|2,0,0]=4 9131 B13R1.674 CCCOC(C)c1ccncc1F 34a_100012180158_100000210303 [0,2,0,0,0,0|2,0,0]=4 9132 B13R1.674 CCCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210303 [0,2,0,0,0,0|2,0,0]=4 9133 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,2,0,0,0,0|1,0,0]=3 9134 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,2,0,0,0,0|1,0,0]=3 9135 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,2,0,0,0,0|1,0,0]=3 9136 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,2,0,0,0,0|1,0,0]=3 9137 B13R1.674 CCNCC(=O)c1ccccc1C 2230a_100015525214_100000741374 [0,2,0,0,0,0|1,0,1]=4 9138 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [0,2,0,0,0,0|1,0,0]=3 9139 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [0,2,0,0,0,0|1,0,0]=3 9140 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|1,0,0]=3 9141 B13R1.674 CCNN=C(C)c1ccccc1Br 4a_100000756455_100000187085 [0,2,0,0,0,0|1,0,1]=4 9142 B13R1.674 CCNN=C(C)c1ccccc1C 4a_100000756455_100000211656 [0,2,0,0,0,0|1,0,1]=4 9143 B13R1.674 CCNN=C(C)c1ccccc1Cl 4a_100000756455_100000210134 [0,2,0,0,0,0|1,0,1]=4 9144 B13R1.674 CCNN=C(C)c1ccccc1F 4a_100000756455_100000210632 [0,2,0,0,0,0|1,0,1]=4 9145 B13R1.674 CCNN=C(C)c1ccccc1I 4a_100000756455_100000751169 [0,2,0,0,0,0|1,0,1]=4 9146 B13R1.674 CCNN=C(C)c1ccccc1O 4a_100000756455_100000188907 [0,2,0,0,0,0|1,0,1]=4 9147 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 9148 B13R1.674 CCOCN(C)c1ccccc1Br 269982a_100020606079_100000739092 [0,2,0,0,0,0|2,0,0]=4 9149 B13R1.674 CCOCN(C)c1ccccc1C 269982a_100000219699_100000739092 [0,2,0,0,0,0|2,0,0]=4 9150 B13R1.674 CCOCN(C)c1ccccc1Cl 269982a_100000219374_100000739092 [0,2,0,0,0,0|2,0,0]=4 9151 B13R1.674 CCOCN(C)c1ccccc1F 269982a_100000220357_100000739092 [0,2,0,0,0,0|2,0,0]=4 9152 B13R1.674 CCOCN(C)c1ccccc1O 269982a_100000033821_100000739092 [0,2,0,0,0,0|2,0,0]=4 9153 B13R1.674 CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 9154 B13R1.674 CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 9155 B13R1.674 CN(CCCF)c1ccccc1Br 2230a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 9156 B13R1.674 CN(CCCF)c1ccccc1Br 269982a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 9157 B13R1.674 CN(CCCF)c1ccccc1Br 34a_100020606079_100011934791 [0,2,0,0,0,0|2,0,0]=4 9158 B13R1.674 CN(CCCF)c1ccccc1Cl 2230a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 9159 B13R1.674 CN(CCCF)c1ccccc1Cl 269982a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 9160 B13R1.674 CN(CCCF)c1ccccc1Cl 34a_100000219374_100011934791 [0,2,0,0,0,0|2,0,0]=4 9161 B13R1.674 CN(CCCF)c1ccccc1F 2230a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 9162 B13R1.674 CN(CCCF)c1ccccc1F 269982a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 9163 B13R1.674 CN(CCCF)c1ccccc1F 34a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 9164 B13R1.674 CN(CCCF)c1ccccc1F 38a_100000220357_100011934791 [0,2,0,0,0,0|2,0,0]=4 9165 B13R1.674 CN(CCCF)c1ccccc1O 269982a_100000033821_100011934791 [0,2,0,0,0,0|2,0,0]=4 9166 B13R1.674 CN(CCCO)c1ccccc1Br 2230a_100020606079_100000230001 [0,2,0,0,0,0|2,0,0]=4 9167 B13R1.674 CN(CCCO)c1ccccc1Br 269982a_100020606079_100011215043 [0,2,0,0,0,0|2,0,0]=4 9168 B13R1.674 CN(CCCO)c1ccccc1Br 34a_100020606079_100000230001 [0,2,0,0,0,0|2,0,0]=4 9169 B13R1.674 CN(CCCO)c1ccccc1Cl 2230a_100000219374_100000230001 [0,2,0,0,0,0|2,0,0]=4 9170 B13R1.674 CN(CCCO)c1ccccc1Cl 269982a_100000219374_100011215043 [0,2,0,0,0,0|2,0,0]=4 9171 B13R1.674 CN(CCCO)c1ccccc1Cl 34a_100000219374_100000230001 [0,2,0,0,0,0|2,0,0]=4 9172 B13R1.674 CN(CCCO)c1ccccc1F 2230a_100000220357_100000230001 [0,2,0,0,0,0|2,0,0]=4 9173 B13R1.674 CN(CCCO)c1ccccc1F 269982a_100000220357_100011215043 [0,2,0,0,0,0|2,0,0]=4 9174 B13R1.674 CN(CCCO)c1ccccc1F 34a_100000220357_100000230001 [0,2,0,0,0,0|2,0,0]=4 9175 B13R1.674 CN(CCCO)c1ccccc1O 269982a_100000033821_100011215043 [0,2,0,0,0,0|2,0,0]=4 9176 B13R1.674 CNCCC(=O)c1ccccc1F 2230a_106832991635_100000086012 [0,2,0,0,0,0|1,0,1]=4 9177 B13R1.674 CNCCC(=O)c1ccccc1F 7a_106832991635_100000086012 [0,2,0,0,0,0|1,0,1]=4 9178 B13R1.674 CNCCC(=O)c1ccccc1O 7a_106832991635_100009873196 [0,2,0,0,0,0|1,0,1]=4 9179 B13R1.674 COCCC(N)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 9180 B13R1.674 COCCC(N)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 9181 B13R1.674 COCCN(C)c1ccccc1Br 2230a_100020606079_100011201679 [0,2,0,0,0,0|2,0,0]=4 9182 B13R1.674 COCCN(C)c1ccccc1Br 269982a_100020606079_100000233755 [0,2,0,0,0,0|2,0,0]=4 9183 B13R1.674 COCCN(C)c1ccccc1Br 34a_100020606079_100011201679 [0,2,0,0,0,0|2,0,0]=4 9184 B13R1.674 COCCN(C)c1ccccc1C 2230a_100000219699_100011201679 [0,2,0,0,0,0|2,0,0]=4 9185 B13R1.674 COCCN(C)c1ccccc1C 269982a_100000219699_100000233755 [0,2,0,0,0,0|2,0,0]=4 9186 B13R1.674 COCCN(C)c1ccccc1C 34a_100000219699_100011201679 [0,2,0,0,0,0|2,0,0]=4 9187 B13R1.674 COCCN(C)c1ccccc1Cl 2230a_100000219374_100011201679 [0,2,0,0,0,0|2,0,0]=4 9188 B13R1.674 COCCN(C)c1ccccc1Cl 269982a_100000219374_100000233755 [0,2,0,0,0,0|2,0,0]=4 9189 B13R1.674 COCCN(C)c1ccccc1Cl 34a_100000219374_100011201679 [0,2,0,0,0,0|2,0,0]=4 9190 B13R1.674 COCCN(C)c1ccccc1F 2230a_100000220357_100011201679 [0,2,0,0,0,0|2,0,0]=4 9191 B13R1.674 COCCN(C)c1ccccc1F 269982a_100000220357_100000233755 [0,2,0,0,0,0|2,0,0]=4 9192 B13R1.674 COCCN(C)c1ccccc1F 34a_100000220357_100011201679 [0,2,0,0,0,0|2,0,0]=4 9193 B13R1.674 COCCN(C)c1ccccc1F 38a_100000220357_100011201679 [0,2,0,0,0,0|2,0,0]=4 9194 B13R1.674 COCCN(C)c1ccccc1O 269982a_100000033821_100000233755 [0,2,0,0,0,0|2,0,0]=4 9195 B13R1.674 COCNC(C)c1ccccc1Br 2230a_100000181357_100000766300 [0,2,0,0,0,0|1,0,0]=3 9196 B13R1.674 COCNC(C)c1ccccc1C 2230a_100000181355_100000766300 [0,2,0,0,0,0|1,0,0]=3 9197 B13R1.674 COCNC(C)c1ccccc1Cl 2230a_100000174978_100000766300 [0,2,0,0,0,0|1,0,0]=3 9198 B13R1.674 COCNC(C)c1ccccc1F 2230a_100000181408_100000766300 [0,2,0,0,0,0|1,0,0]=3 9199 B13R1.674 COCNC(C)c1cccnc1O 2230a_100159269580_100000766300 [0,2,0,0,0,0|2,0,0]=4 9200 B13R1.674 COCNC(C)c1ncccc1Br 2230a_100159271932_100000766300 [0,2,0,0,0,0|2,0,0]=4 9201 B13R1.674 COCNC(C)c1ncccc1C 2230a_100011536111_100000766300 [0,2,0,0,0,0|2,0,0]=4 9202 B13R1.674 COCN[C@H](C)c1ccccc1O 2230a_100025703389_100000766300 [0,2,0,0,0,0|1,0,0]=3 9203 B13R1.674 COCSC(C)c1ccccc1Cl 62a_100000181259_100000766300 [0,2,0,0,0,0|1,0,0]=3 9204 B13R1.674 COCSC(C)c1ccccc1Cl 62a_100000766300_100000181259 [0,2,0,0,0,0|1,0,0]=3 9205 B13R1.674 COCSC(C)c1ccccc1F 62a_100000766300_200000741388 [0,2,0,0,0,0|1,0,0]=3 9206 B13R1.674 COCSC(C)c1ccccc1F 62a_200000741388_100000766300 [0,2,0,0,0,0|1,0,0]=3 9207 B13R1.674 CSCCN(C)c1ccccc1Br 2230a_100020606079_100000751147 [0,2,0,0,0,0|2,0,0]=4 9208 B13R1.674 CSCCN(C)c1ccccc1Br 269982a_100020606079_100000212216 [0,2,0,0,0,0|2,0,0]=4 9209 B13R1.674 CSCCN(C)c1ccccc1Br 34a_100020606079_100000212216 [0,2,0,0,0,0|2,0,0]=4 9210 B13R1.674 CSCCN(C)c1ccccc1C 2230a_100000219699_100000751147 [0,2,0,0,0,0|2,0,0]=4 9211 B13R1.674 CSCCN(C)c1ccccc1C 269982a_100000219699_100000212216 [0,2,0,0,0,0|2,0,0]=4 9212 B13R1.674 CSCCN(C)c1ccccc1C 34a_100000219699_100000212216 [0,2,0,0,0,0|2,0,0]=4 9213 B13R1.674 CSCCN(C)c1ccccc1Cl 2230a_100000219374_100000751147 [0,2,0,0,0,0|2,0,0]=4 9214 B13R1.674 CSCCN(C)c1ccccc1Cl 269982a_100000219374_100000212216 [0,2,0,0,0,0|2,0,0]=4 9215 B13R1.674 CSCCN(C)c1ccccc1Cl 34a_100000219374_100000212216 [0,2,0,0,0,0|2,0,0]=4 9216 B13R1.674 CSCCN(C)c1ccccc1F 2230a_100000220357_100000751147 [0,2,0,0,0,0|2,0,0]=4 9217 B13R1.674 CSCCN(C)c1ccccc1F 269982a_100000220357_100000212216 [0,2,0,0,0,0|2,0,0]=4 9218 B13R1.674 CSCCN(C)c1ccccc1F 34a_100000220357_100000212216 [0,2,0,0,0,0|2,0,0]=4 9219 B13R1.674 CSCCN(C)c1ccccc1F 38a_100000220357_100000751147 [0,2,0,0,0,0|2,0,0]=4 9220 B13R1.674 CSCCN(C)c1ccccc1O 269982a_100000033821_100000212216 [0,2,0,0,0,0|2,0,0]=4 9221 B13R1.674 CSCNC(C)c1ccccc1Br 2230a_100000181357_100011218213 [0,2,0,0,0,0|1,0,0]=3 9222 B13R1.674 CSCNC(C)c1ccccc1C 2230a_100000181355_100011218213 [0,2,0,0,0,0|1,0,0]=3 9223 B13R1.674 CSCNC(C)c1ccccc1C 34a_100000181355_100011218213 [0,2,0,0,0,0|1,0,0]=3 9224 B13R1.674 CSCNC(C)c1ccccc1Cl 2230a_100000174978_100011218213 [0,2,0,0,0,0|1,0,0]=3 9225 B13R1.674 CSCNC(C)c1ccccc1Cl 34a_100000174978_100011218213 [0,2,0,0,0,0|1,0,0]=3 9226 B13R1.674 CSCNC(C)c1ccccc1F 2230a_100000181408_100011218213 [0,2,0,0,0,0|1,0,0]=3 9227 B13R1.674 CSCNC(C)c1ccccc1F 34a_100000181408_100011218213 [0,2,0,0,0,0|1,0,0]=3 9228 B13R1.674 CSCNC(C)c1cccnc1O 2230a_100159269580_100011218213 [0,2,0,0,0,0|2,0,0]=4 9229 B13R1.674 CSCNC(C)c1ncccc1Br 2230a_100159271932_100011218213 [0,2,0,0,0,0|2,0,0]=4 9230 B13R1.674 CSCNC(C)c1ncccc1C 2230a_100011536111_100011218213 [0,2,0,0,0,0|2,0,0]=4 9231 B13R1.674 CSCN[C@H](C)c1ccccc1O 2230a_100025703389_100011218213 [0,2,0,0,0,0|1,0,0]=3 9232 B13R1.674 CSCOC(C)c1ccccc1Br 34a_100000702211_100011218213 [0,2,0,0,0,0|1,0,0]=3 9233 B13R1.674 CSCOC(C)c1ccccc1C 34a_100000742021_100011218213 [0,2,0,0,0,0|1,0,0]=3 9234 B13R1.674 CSCOC(C)c1ccccc1Cl 34a_100000740796_100011218213 [0,2,0,0,0,0|1,0,0]=3 9235 B13R1.674 CSCOC(C)c1ccccc1F 34a_100000697922_100011218213 [0,2,0,0,0,0|1,0,0]=3 9236 B13R1.674 CSCOC(C)c1cccnc1Cl 34a_100009865335_100011218213 [0,2,0,0,0,0|2,0,0]=4 9237 B13R1.674 CSCOC(C)c1ccncc1F 34a_100012180158_100011218213 [0,2,0,0,0,0|2,0,0]=4 9238 B13R1.674 CSCSC(C)c1ccccc1Cl 62a_100000181259_100011218213 [0,2,0,0,0,0|1,0,0]=3 9239 B13R1.674 CSCSC(C)c1ccccc1Cl 62a_100011218213_100000181259 [0,2,0,0,0,0|1,0,0]=3 9240 B13R1.674 CSCSC(C)c1ccccc1F 62a_100011218213_200000741388 [0,2,0,0,0,0|1,0,0]=3 9241 B13R1.674 CSCSC(C)c1ccccc1F 62a_200000741388_100011218213 [0,2,0,0,0,0|1,0,0]=3 9242 B13R1.674 C[C@@H](NCC#N)c1ccccc1O 2230a_100025703389_100011215382 [0,2,0,0,0,0|2,0,0]=4 9243 B13R1.674 C[C@@H](NCC=O)c1ccccc1O 2230a_100025703389_200015260668 [0,2,0,0,0,0|2,0,0]=4 9244 B13R1.674 C[C@@H](NCCF)c1ccccc1O 2230a_100025703389_100011217306 [0,2,0,0,0,0|2,0,0]=4 9245 B13R1.674 C[C@@H](NCCO)c1ccccc1O 2230a_100025703389_100000211926 [0,2,0,0,0,0|2,0,0]=4 9246 B13R1.674 Cc1ccccc1C(C)NCC#N 2230a_100000181355_100011215382 [0,2,0,0,0,0|2,0,0]=4 9247 B13R1.674 Cc1ccccc1C(C)NCC=O 2230a_100000181355_200015260668 [0,2,0,0,0,0|2,0,0]=4 9248 B13R1.674 Cc1ccccc1C(C)NCC=O 34a_100000181355_200009817547 [0,2,0,0,0,0|2,0,0]=4 9249 B13R1.674 Cc1ccccc1C(C)NCCF 2230a_100000181355_100011217306 [0,2,0,0,0,0|2,0,0]=4 9250 B13R1.674 Cc1ccccc1C(C)NCCF 269862a_100000724931_100000211656 [0,2,0,0,0,0|2,0,0]=4 9251 B13R1.674 Cc1ccccc1C(C)NCCF 34a_100000181355_100011217306 [0,2,0,0,0,0|2,0,0]=4 9252 B13R1.674 Cc1ccccc1C(C)NCCO 2230a_100000181355_100000211926 [0,2,0,0,0,0|2,0,0]=4 9253 B13R1.674 Cc1ccccc1C(C)NCCO 269862a_100000210304_100000211656 [0,2,0,0,0,0|2,0,0]=4 9254 B13R1.674 Cc1ccccc1C(C)NCCO 34a_100000181355_100000211926 [0,2,0,0,0,0|2,0,0]=4 9255 B13R1.674 Cc1ccccc1C(C)OCC#N 7a_100000742021_100011215382 [0,2,0,0,0,0|2,0,0]=4 9256 B13R1.674 Cc1ccccc1C(C)OCC=O 34a_100000742021_200009817547 [0,2,0,0,0,0|2,0,0]=4 9257 B13R1.674 Cc1ccccc1C(C)OCC=O 7a_100000742021_200015260668 [0,2,0,0,0,0|2,0,0]=4 9258 B13R1.674 Cc1ccccc1C(C)OCCF 34a_100000742021_100011217306 [0,2,0,0,0,0|2,0,0]=4 9259 B13R1.674 Cc1ccccc1C(C)OCCF 7a_100000742021_100011217306 [0,2,0,0,0,0|2,0,0]=4 9260 B13R1.674 Cc1ccccc1C(C)OCCO 34a_100000742021_100000211926 [0,2,0,0,0,0|2,0,0]=4 9261 B13R1.674 Cc1ccccc1C(C)OCCO 7a_100000742021_100000211926 [0,2,0,0,0,0|2,0,0]=4 9262 B13R1.674 Cc1ccccc1N(C)CCCF 2230a_100000219699_100011934791 [0,2,0,0,0,0|2,0,0]=4 9263 B13R1.674 Cc1ccccc1N(C)CCCF 269982a_100000219699_100011934791 [0,2,0,0,0,0|2,0,0]=4 9264 B13R1.674 Cc1ccccc1N(C)CCCF 34a_100000219699_100011934791 [0,2,0,0,0,0|2,0,0]=4 9265 B13R1.674 Cc1ccccc1N(C)CCCO 2230a_100000219699_100000230001 [0,2,0,0,0,0|2,0,0]=4 9266 B13R1.674 Cc1ccccc1N(C)CCCO 269982a_100000219699_100011215043 [0,2,0,0,0,0|2,0,0]=4 9267 B13R1.674 Cc1ccccc1N(C)CCCO 34a_100000219699_100000230001 [0,2,0,0,0,0|2,0,0]=4 9268 B13R1.674 NC(COCF)c1ccccc1Cl 34a_100138412506_100015361967 [0,2,0,0,0,0|2,0,0]=4 9269 B13R1.674 N[C@@H](COCF)c1ccccc1F 34a_100009818778_100015361967 [0,2,0,0,0,0|2,0,0]=4 9270 B13R1.674 N[C@H](COCF)c1ccccc1Br 34a_100161155918_100015361967 [0,2,0,0,0,0|2,0,0]=4 9271 B13R1.674 OC(CNCF)c1ccccc1Cl 34a_200000759403_100015361967 [0,2,0,0,0,0|1,0,0]=3 9272 B13R1.674 [13CH3]OCCC(N)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 9273 B13R1.674 [13CH3]OCCC(N)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 9274 B13R1.86 CCC(CC)N(C)c1ccccc1 269982a_100000210012_100000210505 [0,2,0,0,0,0|2,0,0]=4 9275 B13R1.86 CCN(CC)C(C)c1ccccc1 2230a_100000724800_100000230085 [0,2,0,0,0,0|2,0,0]=4 9276 B13R1.86 CCN(CC)C(C)c1ccccc1 269956a_100000042499_100000211855 [0,2,0,0,0,0|2,0,0]=4 9277 B13R1.86 CCN(CC)C(C)c1ccccc1 269982a_100000724800_100000230085 [0,2,0,0,0,0|2,0,0]=4 9278 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,2,0,0,0,0|1,0,0]=3 9279 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,2,0,0,0,0|1,0,0]=3 9280 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,2,0,0,0,0|1,0,1]=4 9281 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,2,0,0,0,0|2,0,0]=4 9282 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,2,0,0,0,0|2,0,0]=4 9283 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,2,0,0,0,0|2,0,0]=4 9284 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,2,0,0,0,0|2,0,0]=4 9285 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,2,0,0,0,0|2,0,0]=4 9286 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,2,0,0,0,0|2,0,0]=4 9287 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 11a_100102631434_100000722050 [0,2,0,0,0,0|1,0,1]=4 9288 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 1626a_100102631434_100000722050 [0,2,0,0,0,0|1,0,1]=4 9289 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 240690a_100102631434_100000722050 [0,2,0,0,0,0|1,0,1]=4 9290 B13R1.152 CC(C(=O)N(C)C)c1ccccn1 527a_100102631434_100000722050 [0,2,0,0,0,0|1,0,1]=4 9291 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,2,0,0,0,0|1,0,1]=4 9292 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,2,0,0,0,0|1,0,1]=4 9293 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 2230a_100102631434_100000239700 [0,2,0,0,0,0|1,0,1]=4 9294 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 269982a_100102631434_100000239700 [0,2,0,0,0,0|1,0,1]=4 9295 B13R1.152 CC(C)C(=O)C(C)c1ccccc1 1458a_100000210198_100000230085 [0,2,0,0,0,0|1,0,1]=4 9296 B13R1.152 CC(C)C(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210206 [0,2,0,0,0,0|1,0,1]=4 9297 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [0,2,0,0,0,0|2,0,0]=4 9298 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [0,2,0,0,0,0|2,0,0]=4 9299 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [0,2,0,0,0,0|2,0,0]=4 9300 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [0,2,0,0,0,0|2,0,0]=4 9301 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [0,2,0,0,0,0|2,0,0]=4 9302 B13R1.152 CC(F)C(=O)C(C)c1ccccc1 1458a_100000062450_100000230085 [0,2,0,0,0,0|1,0,1]=4 9303 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 11a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9304 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 1626a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9305 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 240690a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9306 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 527a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9307 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [0,2,0,0,0,0|1,0,1]=4 9308 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000751047 [0,2,0,0,0,0|0,0,1]=3 9309 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000751047 [0,2,0,0,0,0|0,0,1]=3 9310 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000751047 [0,2,0,0,0,0|0,0,1]=3 9311 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000751047 [0,2,0,0,0,0|0,0,1]=3 9312 B13R1.263 CCC(C)(C)N(C)c1ccccc1 269982a_100000210012_100000032637 [0,2,0,0,0,0|2,0,0]=4 9313 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 2230a_106832991635_200009813919 [0,2,0,0,0,0|1,0,1]=4 9314 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 7a_106832991635_200009813919 [0,2,0,0,0,0|1,0,1]=4 9315 B13R1.696 CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000210202 [0,2,0,0,0,0|1,0,1]=4 9316 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100000210414_100000181259 [0,2,0,0,0,0|1,0,1]=4 9317 B13R1.696 CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000210202 [0,2,0,0,0,0|1,0,1]=4 9318 B13R1.696 CCC(=O)C(C)c1ccccc1F 1458a_100000210414_200000741388 [0,2,0,0,0,0|1,0,1]=4 9319 B13R1.696 CCC(C)N(C)c1ccccc1Br 2230a_100020606079_100000758301 [0,2,0,0,0,0|2,0,0]=4 9320 B13R1.696 CCC(C)N(C)c1ccccc1Br 269982a_100020606079_100000758301 [0,2,0,0,0,0|2,0,0]=4 9321 B13R1.696 CCC(C)N(C)c1ccccc1Br 34a_100020606079_100011215416 [0,2,0,0,0,0|2,0,0]=4 9322 B13R1.696 CCC(C)N(C)c1ccccc1C 2230a_100000219699_100000758301 [0,2,0,0,0,0|2,0,0]=4 9323 B13R1.696 CCC(C)N(C)c1ccccc1C 269982a_100000219699_100000758301 [0,2,0,0,0,0|2,0,0]=4 9324 B13R1.696 CCC(C)N(C)c1ccccc1C 34a_100000219699_100011215416 [0,2,0,0,0,0|2,0,0]=4 9325 B13R1.696 CCC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000758301 [0,2,0,0,0,0|2,0,0]=4 9326 B13R1.696 CCC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000758301 [0,2,0,0,0,0|2,0,0]=4 9327 B13R1.696 CCC(C)N(C)c1ccccc1Cl 34a_100000219374_100011215416 [0,2,0,0,0,0|2,0,0]=4 9328 B13R1.696 CCC(C)N(C)c1ccccc1F 2230a_100000220357_100000758301 [0,2,0,0,0,0|2,0,0]=4 9329 B13R1.696 CCC(C)N(C)c1ccccc1F 269982a_100000220357_100000758301 [0,2,0,0,0,0|2,0,0]=4 9330 B13R1.696 CCC(C)N(C)c1ccccc1F 34a_100000220357_100011215416 [0,2,0,0,0,0|2,0,0]=4 9331 B13R1.696 CCC(C)N(C)c1ccccc1F 38a_100000220357_100011215416 [0,2,0,0,0,0|2,0,0]=4 9332 B13R1.696 CCC(C)N(C)c1ccccc1O 269982a_100000033821_100000758301 [0,2,0,0,0,0|2,0,0]=4 9333 B13R1.696 CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210202 [0,2,0,0,0,0|2,0,0]=4 9334 B13R1.696 CCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000204670 [0,2,0,0,0,0|2,0,0]=4 9335 B13R1.696 CCN(C)C(C)c1ccccc1Cl 2230a_100000225621_100000181259 [0,2,0,0,0,0|2,0,0]=4 9336 B13R1.696 CCN(C)C(C)c1ccccc1Cl 269982a_100000225621_100000181259 [0,2,0,0,0,0|2,0,0]=4 9337 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000225621_200000741388 [0,2,0,0,0,0|2,0,0]=4 9338 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210202 [0,2,0,0,0,0|2,0,0]=4 9339 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000225621_200000741388 [0,2,0,0,0,0|2,0,0]=4 9340 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000231110_100000204670 [0,2,0,0,0,0|2,0,0]=4 9341 B13R1.696 CCN(C)C(C)c1ccccc1F 34a_100000231110_100000210202 [0,2,0,0,0,0|2,0,0]=4 9342 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,2,0,0,0,0|0,0,1]=3 9343 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,2,0,0,0,0|0,0,1]=3 9344 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,2,0,0,0,0|0,0,1]=3 9345 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,2,0,0,0,0|0,0,1]=3 9346 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,2,0,0,0,0|0,0,1]=3 9347 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,2,0,0,0,0|0,0,1]=3 9348 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,2,0,0,0,0|0,0,1]=3 9349 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,2,0,0,0,0|0,0,1]=3 9350 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,2,0,0,0,0|1,0,1]=4 9351 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,2,0,0,0,0|1,0,1]=4 9352 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,2,0,0,0,0|1,0,1]=4 9353 B13R1.696 CNC(=O)N(C)c1ccccc1Br 512a_106832991638_100020606079 [0,2,0,0,0,0|1,0,1]=4 9354 B13R1.696 CNC(=O)N(C)c1ccccc1C 512a_106832991638_100000219699 [0,2,0,0,0,0|1,0,1]=4 9355 B13R1.696 CNC(=O)N(C)c1ccccc1Cl 512a_106832991638_100000219374 [0,2,0,0,0,0|1,0,1]=4 9356 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 2230a_106832991635_100010255250 [0,2,0,0,0,0|1,0,1]=4 9357 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 7a_106832991635_100010255250 [0,2,0,0,0,0|1,0,1]=4 9358 B13R1.696 COC(C)N(C)c1ccccc1Br 269982a_100020606079_100009879195 [0,2,0,0,0,0|2,0,0]=4 9359 B13R1.696 COC(C)N(C)c1ccccc1C 269982a_100000219699_100009879195 [0,2,0,0,0,0|2,0,0]=4 9360 B13R1.696 COC(C)N(C)c1ccccc1Cl 269982a_100000219374_100009879195 [0,2,0,0,0,0|2,0,0]=4 9361 B13R1.696 COC(C)N(C)c1ccccc1F 269982a_100000220357_100009879195 [0,2,0,0,0,0|2,0,0]=4 9362 B13R1.696 COC(C)N(C)c1ccccc1O 269982a_100000033821_100009879195 [0,2,0,0,0,0|2,0,0]=4 9363 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000210414_100000034625 [0,2,0,0,0,0|1,0,1]=4 9364 B13R1.708 CCC(=O)C(C)(C)c1ccccc1 1458a_100000211857_100000210202 [0,2,0,0,0,0|1,0,1]=4 9365 B13R1.708 CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210202 [0,2,0,0,0,0|1,0,1]=4 9366 B13R1.708 CCN(C)C(C)(C)c1ccccc1 2230a_100000225621_100000034625 [0,2,0,0,0,0|2,0,0]=4 9367 B13R1.708 CCN(C)C(C)(C)c1ccccc1 269982a_100000225621_100000034625 [0,2,0,0,0,0|2,0,0]=4 9368 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 11a_106832991635_100000211857 [0,2,0,0,0,0|0,0,1]=3 9369 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 1626a_100102657272_100000211857 [0,2,0,0,0,0|0,0,1]=3 9370 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 240690a_100102657272_100000211857 [0,2,0,0,0,0|0,0,1]=3 9371 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 527a_100102657272_100000211857 [0,2,0,0,0,0|0,0,1]=3 9372 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 11a_106832991635_100000182030 [0,2,0,0,0,0|1,0,1]=4 9373 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 1626a_100102657272_100000182030 [0,2,0,0,0,0|1,0,1]=4 9374 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 240690a_100102657272_100000182030 [0,2,0,0,0,0|1,0,1]=4 9375 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 527a_100102657272_100000182030 [0,2,0,0,0,0|1,0,1]=4 9376 B13R1.708 CNC(=O)[C@](C)(O)c1ccccc1 240690a_100102657272_100000753667 [0,2,0,0,0,0|0,0,1]=3 9377 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [0,2,0,0,0,0|1,0,0]=3 9378 B13R1.347 CC(=O)C[Si](C)(C)c1ccccc1 1458a_100000070787_100000038972 [0,2,0,0,0,0|1,1,0]=4 9379 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 11a_100011218174_100015343762 [0,2,0,0,0,0|2,0,0]=4 9380 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 1626a_100011218174_100015343762 [0,2,0,0,0,0|2,0,0]=4 9381 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 240690a_100011218174_100015343762 [0,2,0,0,0,0|2,0,0]=4 9382 B13R1.347 CC(=O)NC(C)(C)c1ccccc1 527a_100011218174_100103153847 [0,2,0,0,0,0|2,0,0]=4 9383 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [0,2,0,0,0,0|1,0,0]=3 9384 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100011218174_100000210206 [0,2,0,0,0,0|2,0,0]=4 9385 B13R1.347 CC(C)NC(C)(C)c1ccccc1 2230a_100138425928_100000034625 [0,2,0,0,0,0|2,0,0]=4 9386 B13R1.347 CC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000210206 [0,2,0,0,0,0|2,0,0]=4 9387 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000034625_100000210206 [0,2,0,0,0,0|2,0,0]=4 9388 B13R1.347 CC(C)SC(C)(C)c1ccccc1 62a_100000210206_100000034625 [0,2,0,0,0,0|2,0,0]=4 9389 B13R1.347 CN(C)CC(C)(C)c1ccccc1 269982a_100102631434_100000703224 [0,2,0,0,0,0|0,0,0]=2 9390 B13R1.347 CN(C)CC(C)(O)c1ccccc1 2230a_100011660921_200000210301 [0,2,0,0,0,0|0,0,0]=2 9391 B13R1.347 CN(C)CC(C)(O)c1ccccc1 269982a_100011660921_200000210301 [0,2,0,0,0,0|0,0,0]=2 9392 B13R1.347 CN(C)CC(F)(F)c1ccccc1 269982a_100102631434_100009875531 [0,2,0,0,0,0|1,0,0]=3 9393 B13R1.347 CN(C)CS(=O)(=O)c1ccccc1 269982a_100102631434_100000240042 [0,2,0,0,0,0|2,0,0]=4 9394 B13R1.347 CN(C)C[Si](C)(C)c1ccccc1 2230a_100102631434_100000038972 [0,2,0,0,0,0|0,1,0]=3 9395 B13R1.347 CN(C)C[Si](C)(C)c1ccccc1 269982a_100102631434_100000038972 [0,2,0,0,0,0|0,1,0]=3 9396 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 2230a_100011660921_200025704644 [0,2,0,0,0,0|0,0,0]=2 9397 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 269982a_100011660921_200025704644 [0,2,0,0,0,0|0,0,0]=2 9398 B13R1.2819 CC(C)(CN[13CH3])c1ccccc1F 2230a_100000748766_200025704644 [0,2,0,0,0,0|0,0,0]=2 9399 B13R1.2819 CC(C)(CN[13CH3])c1ccccc1F 34a_100000748766_200025704644 [0,2,0,0,0,0|0,0,0]=2 9400 B13R1.2819 CCNC(C)(C)c1ccccc1Br 2230a_100020606264_100000210202 [0,2,0,0,0,0|2,0,0]=4 9401 B13R1.2819 CCNC(C)(C)c1ccccc1Cl 2230a_100020606166_100000210202 [0,2,0,0,0,0|2,0,0]=4 9402 B13R1.2819 CCNC(C)(C)c1ccccc1Cl 34a_100020606166_100000210202 [0,2,0,0,0,0|2,0,0]=4 9403 B13R1.2819 CCNC(C)(C)c1ccccc1F 2230a_100000734538_100000210202 [0,2,0,0,0,0|2,0,0]=4 9404 B13R1.2819 CCNC(C)(C)c1ccccc1F 34a_100000734538_100000210202 [0,2,0,0,0,0|2,0,0]=4 9405 B13R1.2819 CCOC(C)(C)c1ccccc1Br 34a_100011346021_100000210202 [0,2,0,0,0,0|2,0,0]=4 9406 B13R1.2819 CCOC(C)(C)c1ccccc1Br 7a_100011346021_100000210202 [0,2,0,0,0,0|2,0,0]=4 9407 B13R1.2819 CCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000210202 [0,2,0,0,0,0|2,0,0]=4 9408 B13R1.2819 CCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000210202 [0,2,0,0,0,0|2,0,0]=4 9409 B13R1.2819 CCOC(C)(C)c1ccccc1F 34a_100011345963_100000210202 [0,2,0,0,0,0|2,0,0]=4 9410 B13R1.2819 CCOC(C)(C)c1ccccc1F 7a_100011345963_100000210202 [0,2,0,0,0,0|2,0,0]=4 9411 B13R1.2819 CCOC(C)(C)c1ccccc1I 34a_100010296449_100000210202 [0,2,0,0,0,0|2,0,0]=4 9412 B13R1.2819 CCOC(C)(C)c1ccccc1I 7a_100010296449_100000210202 [0,2,0,0,0,0|2,0,0]=4 9413 B13R1.2819 CCOC(C)(C)c1ccccc1N 7a_100000081495_100000210202 [0,2,0,0,0,0|2,0,0]=4 9414 B13R1.2819 CNCC(C)(C)c1ccccc1F 2230a_100000748766_200000210301 [0,2,0,0,0,0|0,0,0]=2 9415 B13R1.2819 CNCC(C)(C)c1ccccc1F 34a_100000748766_200000210301 [0,2,0,0,0,0|0,0,0]=2 9416 B13R1.201 C=C(C)CN(C)c1ccccc1Br 2230a_100020606079_100000748629 [0,2,0,0,0,0|2,0,0]=4 9417 B13R1.201 C=C(C)CN(C)c1ccccc1Br 269982a_100020606079_100000748629 [0,2,0,0,0,0|2,0,0]=4 9418 B13R1.201 C=C(C)CN(C)c1ccccc1Br 34a_100020606079_100000748629 [0,2,0,0,0,0|2,0,0]=4 9419 B13R1.201 C=C(C)CN(C)c1ccccc1C 2230a_100000219699_100000748629 [0,2,0,0,0,0|2,0,0]=4 9420 B13R1.201 C=C(C)CN(C)c1ccccc1C 269982a_100000219699_100000748629 [0,2,0,0,0,0|2,0,0]=4 9421 B13R1.201 C=C(C)CN(C)c1ccccc1C 34a_100000219699_100000748629 [0,2,0,0,0,0|2,0,0]=4 9422 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000748629 [0,2,0,0,0,0|2,0,0]=4 9423 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000748629 [0,2,0,0,0,0|2,0,0]=4 9424 B13R1.201 C=C(C)CN(C)c1ccccc1Cl 34a_100000219374_100000748629 [0,2,0,0,0,0|2,0,0]=4 9425 B13R1.201 C=C(C)CN(C)c1ccccc1F 2230a_100000220357_100000748629 [0,2,0,0,0,0|2,0,0]=4 9426 B13R1.201 C=C(C)CN(C)c1ccccc1F 269982a_100000220357_100000748629 [0,2,0,0,0,0|2,0,0]=4 9427 B13R1.201 C=C(C)CN(C)c1ccccc1F 34a_100000220357_100000748629 [0,2,0,0,0,0|2,0,0]=4 9428 B13R1.201 C=C(C)CN(C)c1ccccc1F 38a_100000220357_100000748629 [0,2,0,0,0,0|2,0,0]=4 9429 B13R1.201 C=C(C)CN(C)c1ccccc1O 269982a_100000033821_100000748629 [0,2,0,0,0,0|2,0,0]=4 9430 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,2,0,0,0,0|1,0,0]=3 9431 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,2,0,0,0,0|1,0,0]=3 9432 B13R1.201 CC(=O)NC(C)c1ccccc1Br 11a_100000181357_100015343762 [0,2,0,0,0,0|2,0,0]=4 9433 B13R1.201 CC(=O)NC(C)c1ccccc1Br 1626a_100000181357_100015343762 [0,2,0,0,0,0|2,0,0]=4 9434 B13R1.201 CC(=O)NC(C)c1ccccc1Br 240690a_100000181357_100015343762 [0,2,0,0,0,0|2,0,0]=4 9435 B13R1.201 CC(=O)NC(C)c1ccccc1Br 527a_100000181357_100103153847 [0,2,0,0,0,0|2,0,0]=4 9436 B13R1.201 CC(=O)NC(C)c1ccccc1C 11a_100000181355_100015343762 [0,2,0,0,0,0|2,0,0]=4 9437 B13R1.201 CC(=O)NC(C)c1ccccc1C 1626a_100000181355_100015343762 [0,2,0,0,0,0|2,0,0]=4 9438 B13R1.201 CC(=O)NC(C)c1ccccc1C 240690a_100000181355_100015343762 [0,2,0,0,0,0|2,0,0]=4 9439 B13R1.201 CC(=O)NC(C)c1ccccc1C 527a_100000181355_100103153847 [0,2,0,0,0,0|2,0,0]=4 9440 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 11a_100000174978_100015343762 [0,2,0,0,0,0|2,0,0]=4 9441 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 1626a_100000174978_100015343762 [0,2,0,0,0,0|2,0,0]=4 9442 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 240690a_100000174978_100015343762 [0,2,0,0,0,0|2,0,0]=4 9443 B13R1.201 CC(=O)NC(C)c1ccccc1Cl 527a_100000174978_100103153847 [0,2,0,0,0,0|2,0,0]=4 9444 B13R1.201 CC(=O)NC(C)c1ccccc1F 11a_100000181408_100015343762 [0,2,0,0,0,0|2,0,0]=4 9445 B13R1.201 CC(=O)NC(C)c1ccccc1F 1626a_100000181408_100015343762 [0,2,0,0,0,0|2,0,0]=4 9446 B13R1.201 CC(=O)NC(C)c1ccccc1F 240690a_100000181408_100015343762 [0,2,0,0,0,0|2,0,0]=4 9447 B13R1.201 CC(=O)NC(C)c1ccccc1F 527a_100000181408_100103153847 [0,2,0,0,0,0|2,0,0]=4 9448 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 240690a_100025703389_100015343762 [0,2,0,0,0,0|2,0,0]=4 9449 B13R1.201 CC(=O)N[C@H](C)c1ccccc1O 527a_100025703389_100103153847 [0,2,0,0,0,0|2,0,0]=4 9450 B13R1.201 CC(C)CN(C)c1ccccc1Br 2230a_100020606079_100000210760 [0,2,0,0,0,0|2,0,0]=4 9451 B13R1.201 CC(C)CN(C)c1ccccc1Br 269982a_100020606079_100000210624 [0,2,0,0,0,0|2,0,0]=4 9452 B13R1.201 CC(C)CN(C)c1ccccc1Br 34a_100020606079_100000210624 [0,2,0,0,0,0|2,0,0]=4 9453 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100000219374_100000210760 [0,2,0,0,0,0|2,0,0]=4 9454 B13R1.201 CC(C)CN(C)c1ccccc1Cl 2230a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 9455 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100000219374_100000210624 [0,2,0,0,0,0|2,0,0]=4 9456 B13R1.201 CC(C)CN(C)c1ccccc1Cl 269982a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 9457 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100000219374_100000210624 [0,2,0,0,0,0|2,0,0]=4 9458 B13R1.201 CC(C)CN(C)c1ccccc1Cl 34a_100011231759_200000210301 [0,2,0,0,0,0|2,0,0]=4 9459 B13R1.201 CC(C)CN(C)c1ccccc1F 2230a_100000220357_100000210760 [0,2,0,0,0,0|2,0,0]=4 9460 B13R1.201 CC(C)CN(C)c1ccccc1F 269982a_100000220357_100000210624 [0,2,0,0,0,0|2,0,0]=4 9461 B13R1.201 CC(C)CN(C)c1ccccc1F 34a_100000220357_100000210624 [0,2,0,0,0,0|2,0,0]=4 9462 B13R1.201 CC(C)CN(C)c1ccccc1F 38a_100000220357_100000210624 [0,2,0,0,0,0|2,0,0]=4 9463 B13R1.201 CC(C)CN(C)c1ccccc1O 269982a_100000033821_100000210624 [0,2,0,0,0,0|2,0,0]=4 9464 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 2230a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 9465 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 269982a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 9466 B13R1.201 CC(C)CN([13CH3])c1ccccc1Cl 34a_100011231759_200025704644 [0,2,0,0,0,0|2,0,0]=4 9467 B13R1.201 CC(C)C[C@H](N)c1ccccc1Br 271570a_100015190218_100000695589 [0,2,0,0,0,0|2,0,0]=4 9468 B13R1.201 CC(C)C[C@H](N)c1ccccc1Cl 271570a_100015190218_100000764095 [0,2,0,0,0,0|2,0,0]=4 9469 B13R1.201 CC(C)C[C@H](N)c1ccccc1F 271570a_100015190218_100011215700 [0,2,0,0,0,0|2,0,0]=4 9470 B13R1.201 CC(C)C[C@H](N)c1ccccc1N 271570a_100015190218_100000210017 [0,2,0,0,0,0|2,0,0]=4 9471 B13R1.201 CC(C)C[C@H](N)c1ccccc1O 271570a_100015190218_100000739446 [0,2,0,0,0,0|2,0,0]=4 9472 B13R1.201 CC(C)NC(C)c1ccccc1Br 2230a_100000181357_100000210206 [0,2,0,0,0,0|2,0,0]=4 9473 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100000174978_100000210206 [0,2,0,0,0,0|2,0,0]=4 9474 B13R1.201 CC(C)NC(C)c1ccccc1Cl 2230a_100138425928_100000181259 [0,2,0,0,0,0|2,0,0]=4 9475 B13R1.201 CC(C)NC(C)c1ccccc1Cl 34a_100000174978_100000210206 [0,2,0,0,0,0|2,0,0]=4 9476 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100000181408_100000210206 [0,2,0,0,0,0|2,0,0]=4 9477 B13R1.201 CC(C)NC(C)c1ccccc1F 2230a_100138425928_200000741388 [0,2,0,0,0,0|2,0,0]=4 9478 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100000181408_100000210206 [0,2,0,0,0,0|2,0,0]=4 9479 B13R1.201 CC(C)NC(C)c1ccccc1F 34a_100138425928_200000741388 [0,2,0,0,0,0|2,0,0]=4 9480 B13R1.201 CC(C)N[C@H](C)c1ccccc1O 2230a_100025703389_100000210206 [0,2,0,0,0,0|2,0,0]=4 9481 B13R1.201 CC(C)OC(C)c1ccccc1Br 34a_100000702211_100000210206 [0,2,0,0,0,0|2,0,0]=4 9482 B13R1.201 CC(C)OC(C)c1ccccc1Br 7a_100000702211_100000210206 [0,2,0,0,0,0|2,0,0]=4 9483 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [0,2,0,0,0,0|2,0,0]=4 9484 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [0,2,0,0,0,0|2,0,0]=4 9485 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000212225_200000741388 [0,2,0,0,0,0|2,0,0]=4 9486 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000697922_100000210206 [0,2,0,0,0,0|2,0,0]=4 9487 B13R1.201 CC(C)OC(C)c1ccccc1F 7a_100000697922_100000210206 [0,2,0,0,0,0|2,0,0]=4 9488 B13R1.201 CC(C)OC(C)c1ccccc1N 7a_100011405641_100000210206 [0,2,0,0,0,0|2,0,0]=4 9489 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000181259_100000210206 [0,2,0,0,0,0|2,0,0]=4 9490 B13R1.201 CC(C)SC(C)c1ccccc1Cl 62a_100000210206_100000181259 [0,2,0,0,0,0|2,0,0]=4 9491 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_100000210206_200000741388 [0,2,0,0,0,0|2,0,0]=4 9492 B13R1.201 CC(C)SC(C)c1ccccc1F 62a_200000741388_100000210206 [0,2,0,0,0,0|2,0,0]=4 9493 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,2,0,0,0,0|1,0,0]=3 9494 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,2,0,0,0,0|1,0,0]=3 9495 B13R1.201 CC(O)CN(C)c1ccccc1Br 2230a_100020606079_100011218427 [0,2,0,0,0,0|2,0,0]=4 9496 B13R1.201 CC(O)CN(C)c1ccccc1Br 269982a_100020606079_100011218427 [0,2,0,0,0,0|2,0,0]=4 9497 B13R1.201 CC(O)CN(C)c1ccccc1Br 34a_100020606079_100011218427 [0,2,0,0,0,0|2,0,0]=4 9498 B13R1.201 CC(O)CN(C)c1ccccc1Cl 2230a_100000219374_100011218427 [0,2,0,0,0,0|2,0,0]=4 9499 B13R1.201 CC(O)CN(C)c1ccccc1Cl 269982a_100000219374_100011218427 [0,2,0,0,0,0|2,0,0]=4 9500 B13R1.201 CC(O)CN(C)c1ccccc1Cl 34a_100000219374_100011218427 [0,2,0,0,0,0|2,0,0]=4 9501 B13R1.201 CC(O)CN(C)c1ccccc1F 2230a_100000220357_100011218427 [0,2,0,0,0,0|2,0,0]=4 9502 B13R1.201 CC(O)CN(C)c1ccccc1F 269982a_100000220357_100011218427 [0,2,0,0,0,0|2,0,0]=4 9503 B13R1.201 CC(O)CN(C)c1ccccc1F 34a_100000220357_100011218427 [0,2,0,0,0,0|2,0,0]=4 9504 B13R1.201 CC(O)CN(C)c1ccccc1F 38a_100000220357_100011218427 [0,2,0,0,0,0|2,0,0]=4 9505 B13R1.201 CC(O)CN(C)c1ccccc1O 269982a_100000033821_100011218427 [0,2,0,0,0,0|2,0,0]=4 9506 B13R1.201 CN(C)CC(=O)c1ccccc1Br 269982a_100102631434_100000199116 [0,2,0,0,0,0|1,0,1]=4 9507 B13R1.201 CN(C)CC(=O)c1ccccc1Cl 269982a_100102631434_100000211432 [0,2,0,0,0,0|1,0,1]=4 9508 B13R1.201 CN(C)CC(=O)c1ccccc1F 269982a_100102631434_100000204681 [0,2,0,0,0,0|1,0,1]=4 9509 B13R1.201 CN(C)CC(=O)c1ccccc1O 269982a_100102631434_100000188908 [0,2,0,0,0,0|1,0,1]=4 9510 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Br 2230a_100020606079_100009817552 [0,2,0,0,0,0|2,0,0]=4 9511 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Br 269982a_100020606079_100009817552 [0,2,0,0,0,0|2,0,0]=4 9512 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Br 34a_100020606079_100009817552 [0,2,0,0,0,0|2,0,0]=4 9513 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 2230a_100000219374_100009817552 [0,2,0,0,0,0|2,0,0]=4 9514 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 269982a_100000219374_100009817552 [0,2,0,0,0,0|2,0,0]=4 9515 B13R1.201 C[C@@H](O)CN(C)c1ccccc1Cl 34a_100000219374_100009817552 [0,2,0,0,0,0|2,0,0]=4 9516 B13R1.201 C[C@@H](O)CN(C)c1ccccc1F 2230a_100000220357_100009817552 [0,2,0,0,0,0|2,0,0]=4 9517 B13R1.201 C[C@@H](O)CN(C)c1ccccc1F 269982a_100000220357_100009817552 [0,2,0,0,0,0|2,0,0]=4 9518 B13R1.201 C[C@@H](O)CN(C)c1ccccc1F 34a_100000220357_100009817552 [0,2,0,0,0,0|2,0,0]=4 9519 B13R1.201 C[C@@H](O)CN(C)c1ccccc1O 269982a_100000033821_100009817552 [0,2,0,0,0,0|2,0,0]=4 9520 B13R1.201 Cc1ccccc1C(=O)CN(C)C 2230a_100102631434_100000741374 [0,2,0,0,0,0|1,0,1]=4 9521 B13R1.201 Cc1ccccc1C(=O)CN(C)C 269982a_100102631434_100000741374 [0,2,0,0,0,0|1,0,1]=4 9522 B13R1.201 Cc1ccccc1C(C)NC(C)C 2230a_100000181355_100000210206 [0,2,0,0,0,0|2,0,0]=4 9523 B13R1.201 Cc1ccccc1C(C)NC(C)C 34a_100000181355_100000210206 [0,2,0,0,0,0|2,0,0]=4 9524 B13R1.201 Cc1ccccc1C(C)OC(C)C 34a_100000742021_100000210206 [0,2,0,0,0,0|2,0,0]=4 9525 B13R1.201 Cc1ccccc1C(C)OC(C)C 7a_100000742021_100000210206 [0,2,0,0,0,0|2,0,0]=4 9526 B13R1.201 Cc1ccccc1N(C)CC(C)C 2230a_100000219699_100000210760 [0,2,0,0,0,0|2,0,0]=4 9527 B13R1.201 Cc1ccccc1N(C)CC(C)C 269982a_100000219699_100000210624 [0,2,0,0,0,0|2,0,0]=4 9528 B13R1.201 Cc1ccccc1N(C)CC(C)C 34a_100000219699_100000210624 [0,2,0,0,0,0|2,0,0]=4 9529 B13R1.201 Cc1ccccc1N(C)CC(C)O 2230a_100000219699_100011218427 [0,2,0,0,0,0|2,0,0]=4 9530 B13R1.201 Cc1ccccc1N(C)CC(C)O 269982a_100000219699_100011218427 [0,2,0,0,0,0|2,0,0]=4 9531 B13R1.201 Cc1ccccc1N(C)CC(C)O 34a_100000219699_100011218427 [0,2,0,0,0,0|2,0,0]=4 9532 B13R1.201 Cc1ccccc1N(C)C[C@@H](C)O 2230a_100000219699_100009817552 [0,2,0,0,0,0|2,0,0]=4 9533 B13R1.201 Cc1ccccc1N(C)C[C@@H](C)O 269982a_100000219699_100009817552 [0,2,0,0,0,0|2,0,0]=4 9534 B13R1.201 Cc1ccccc1N(C)C[C@@H](C)O 34a_100000219699_100009817552 [0,2,0,0,0,0|2,0,0]=4 9535 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [0,2,0,0,0,0|2,0,0]=4 9536 B13R1.352 CC(NC(C)(C)C)c1ccccc1 2230a_100000715429_100000230085 [0,2,0,0,0,0|2,0,0]=4 9537 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [0,2,0,0,0,0|2,0,0]=4 9538 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [0,2,0,0,0,0|2,0,0]=4 9539 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000211941_100000230085 [0,2,0,0,0,0|2,0,0]=4 9540 B13R1.352 CC(SC(C)(C)C)c1ccccc1 62a_100000230085_100000211941 [0,2,0,0,0,0|2,0,0]=4 9541 B13R1.352 CN(CC(C)(C)C)c1ccccc1 34a_100000210012_100011219605 [0,2,0,0,0,0|2,0,0]=4 9542 B13R1.352 CN(CC(C)(C)F)c1ccccc1 34a_100000210012_100011997219 [0,2,0,0,0,0|2,0,0]=4 9543 B13R1.352 CN(CC(C)(C)O)c1ccccc1 34a_100000210012_100000764493 [0,2,0,0,0,0|2,0,0]=4 9544 B13R1.352 CN(C[N+](C)(C)C)c1ccccc1 269982a_100000210012_200000036245 [0,2,0,0,0,0|1,0,1]=4 9545 B13R1.352 CN(C[Si](C)(C)C)c1ccccc1 2230a_100000210012_100000037933 [0,2,0,0,0,0|2,0,0]=4 9546 B13R1.352 C[C@@H](NS(=O)(=O)C)c1ccccc1 40a_100000751104_100000738038 [0,2,0,0,0,0|2,0,0]=4 9547 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [0,2,0,0,0,0|2,0,0]=4 9548 B13R1.464 CCCN(C)c1ccccc1C#N 2230a_100000744078_100000210303 [0,2,0,0,0,0|2,0,0]=4 9549 B13R1.464 CCCN(C)c1ccccc1C#N 2230a_200000219117_200000210301 [0,2,0,0,0,0|2,0,0]=4 9550 B13R1.464 CCCN(C)c1ccccc1C#N 269982a_100000744078_100000210303 [0,2,0,0,0,0|2,0,0]=4 9551 B13R1.464 CCCN(C)c1ccccc1C#N 269982a_200000219117_200000210301 [0,2,0,0,0,0|2,0,0]=4 9552 B13R1.464 CCCN(C)c1ccccc1OC 2230a_100000219746_100000210303 [0,2,0,0,0,0|2,0,0]=4 9553 B13R1.464 CCCN(C)c1ccccc1OC 269982a_100000219746_100000210303 [0,2,0,0,0,0|2,0,0]=4 9554 B13R1.464 CCCN(C)c1ccccc1OC 34a_100000219746_100000210303 [0,2,0,0,0,0|2,0,0]=4 9555 B13R1.464 CCCN([13CH3])c1ccccc1C#N 2230a_200000219117_200025704644 [0,2,0,0,0,0|2,0,0]=4 9556 B13R1.464 CCCN([13CH3])c1ccccc1C#N 269982a_200000219117_200025704644 [0,2,0,0,0,0|2,0,0]=4 9557 B13R1.464 CCNC(C)c1ccccc1C#N 2230a_100160469468_100000210202 [0,2,0,0,0,0|2,0,0]=4 9558 B13R1.464 CCNC(C)c1ccccc1OC 2230a_100000185323_100000210202 [0,2,0,0,0,0|2,0,0]=4 9559 B13R1.464 CCNC(C)c1ccccc1OC 269862a_100015525214_100000173324 [0,2,0,0,0,0|2,0,0]=4 9560 B13R1.464 CCOC(C)c1ccccc1OC 7a_100000742714_100000210202 [0,2,0,0,0,0|2,0,0]=4 9561 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [0,2,0,0,0,0|1,0,1]=4 9562 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [0,2,0,0,0,0|1,0,1]=4 9563 B13R1.464 COCC(N)c1ccccc1OC 34a_100000756845_200000210301 [0,2,0,0,0,0|2,0,0]=4 9564 B13R1.464 COCN(C)c1ccccc1C#N 2230a_100000744078_100000766300 [0,2,0,0,0,0|2,0,0]=4 9565 B13R1.464 COCN(C)c1ccccc1C#N 269982a_100000744078_100000766300 [0,2,0,0,0,0|2,0,0]=4 9566 B13R1.464 COCN(C)c1ccccc1OC 2230a_100000219746_100000766300 [0,2,0,0,0,0|2,0,0]=4 9567 B13R1.464 COCN(C)c1ccccc1OC 269982a_100000219746_100000766300 [0,2,0,0,0,0|2,0,0]=4 9568 B13R1.464 COc1ccccc1C(N)CO[13CH3] 34a_100000756845_200025704644 [0,2,0,0,0,0|2,0,0]=4 9569 B13R1.464 COc1ccccc1N(C)CSC 2230a_100000219746_100011218213 [0,2,0,0,0,0|2,0,0]=4 9570 B13R1.464 COc1ccccc1N(C)CSC 269982a_100000219746_100011218213 [0,2,0,0,0,0|2,0,0]=4 9571 B13R1.464 COc1ccccc1N(C)CSC 34a_100000219746_100011218213 [0,2,0,0,0,0|2,0,0]=4 9572 B13R1.464 CSCN(C)c1ccccc1C#N 2230a_100000744078_100011218213 [0,2,0,0,0,0|2,0,0]=4 9573 B13R1.464 CSCN(C)c1ccccc1C#N 269982a_100000744078_100011218213 [0,2,0,0,0,0|2,0,0]=4 9574 B13R1.4453 CCCN(C)c1c(cccc1C)C 2230a_100011645471_100000210303 [0,2,0,0,0,0|2,0,0]=4 9575 B13R1.4453 CCCN(C)c1c(cccc1C)C 269982a_100011645471_100000210303 [0,2,0,0,0,0|2,0,0]=4 9576 B13R1.4453 CCCN(C)c1c(cccc1C)C 34a_100011645471_100000210303 [0,2,0,0,0,0|2,0,0]=4 9577 B13R1.4453 CCCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000210303 [0,2,0,0,0,0|2,0,0]=4 9578 B13R1.4453 CCCN(C)c1c(cccc1Cl)Cl 34a_100000691019_100000210303 [0,2,0,0,0,0|2,0,0]=4 9579 B13R1.4453 CCCN(C)c1c(cccc1F)F 2230a_100000743377_100000210303 [0,2,0,0,0,0|2,0,0]=4 9580 B13R1.4453 CCCN(C)c1c(cccc1F)F 269982a_100000743377_100000210303 [0,2,0,0,0,0|2,0,0]=4 9581 B13R1.4453 CCCN(C)c1c(cccc1F)F 34a_100000743377_100000210303 [0,2,0,0,0,0|2,0,0]=4 9582 B13R1.4453 CCCN(C)c1c(cccc1F)F 38a_100000743377_100000210303 [0,2,0,0,0,0|2,0,0]=4 9583 B13R1.4453 CCNC(C)c1c(cccc1F)F 2230a_100025772709_100000210202 [0,2,0,0,0,0|2,0,0]=4 9584 B13R1.4453 CCNC(C)c1c(cccc1F)F 34a_100025772709_100000210202 [0,2,0,0,0,0|2,0,0]=4 9585 B13R1.4453 CCN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_100000210202 [0,2,0,0,0,0|2,0,0]=4 9586 B13R1.4453 CCN[C@@H](C)c1c(cccc1C)C 34a_100016987977_100000210202 [0,2,0,0,0,0|2,0,0]=4 9587 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)Cl 2230a_100016989663_100000210202 [0,2,0,0,0,0|2,0,0]=4 9588 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)Cl 34a_100016989663_100000210202 [0,2,0,0,0,0|2,0,0]=4 9589 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)F 2230a_100011997870_100000210202 [0,2,0,0,0,0|2,0,0]=4 9590 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)F 34a_100011997870_100000210202 [0,2,0,0,0,0|2,0,0]=4 9591 B13R1.4453 CCOC(C)c1c(cccc1Br)F 34a_100013085324_100000210202 [0,2,0,0,0,0|2,0,0]=4 9592 B13R1.4453 CCOC(C)c1c(cccc1Br)F 7a_100013085324_100000210202 [0,2,0,0,0,0|2,0,0]=4 9593 B13R1.4453 CCOC(C)c1c(cccc1C)C 34a_200000695261_100000210202 [0,2,0,0,0,0|2,0,0]=4 9594 B13R1.4453 CCOC(C)c1c(cccc1C)C 7a_200000695261_100000210202 [0,2,0,0,0,0|2,0,0]=4 9595 B13R1.4453 CCOC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000210202 [0,2,0,0,0,0|2,0,0]=4 9596 B13R1.4453 CCOC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000210202 [0,2,0,0,0,0|2,0,0]=4 9597 B13R1.4453 CCOC(C)c1c(cccc1F)F 34a_100000742607_100000210202 [0,2,0,0,0,0|2,0,0]=4 9598 B13R1.4453 CCOC(C)c1c(cccc1F)F 7a_100000742607_100000210202 [0,2,0,0,0,0|2,0,0]=4 9599 B13R1.4453 CCO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000210202 [0,2,0,0,0,0|2,0,0]=4 9600 B13R1.4453 CCO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000210202 [0,2,0,0,0,0|2,0,0]=4 9601 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 2230a_106832991635_100012340516 [0,2,0,0,0,0|1,0,1]=4 9602 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 34a_100102657272_100012340516 [0,2,0,0,0,0|1,0,1]=4 9603 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 2230a_106832991635_100011219195 [0,2,0,0,0,0|1,0,1]=4 9604 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 34a_100102657272_100011219195 [0,2,0,0,0,0|1,0,1]=4 9605 B13R1.4453 CNCC(=O)c1c(cccc1F)F 34a_100102657272_100000199083 [0,2,0,0,0,0|1,0,1]=4 9606 B13R1.4453 COCN(C)c1c(cccc1C)C 2230a_100011645471_100000766300 [0,2,0,0,0,0|2,0,0]=4 9607 B13R1.4453 COCN(C)c1c(cccc1C)C 269982a_100011645471_100000766300 [0,2,0,0,0,0|2,0,0]=4 9608 B13R1.4453 COCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000766300 [0,2,0,0,0,0|2,0,0]=4 9609 B13R1.4453 COCN(C)c1c(cccc1F)F 2230a_100000743377_100000766300 [0,2,0,0,0,0|2,0,0]=4 9610 B13R1.4453 COCN(C)c1c(cccc1F)F 269982a_100000743377_100000766300 [0,2,0,0,0,0|2,0,0]=4 9611 B13R1.4453 CSCN(C)c1c(cccc1C)C 2230a_100011645471_100011218213 [0,2,0,0,0,0|2,0,0]=4 9612 B13R1.4453 CSCN(C)c1c(cccc1C)C 269982a_100011645471_100011218213 [0,2,0,0,0,0|2,0,0]=4 9613 B13R1.4453 CSCN(C)c1c(cccc1C)C 34a_100011645471_100011218213 [0,2,0,0,0,0|2,0,0]=4 9614 B13R1.4453 CSCN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100011218213 [0,2,0,0,0,0|2,0,0]=4 9615 B13R1.4453 CSCN(C)c1c(cccc1Cl)Cl 34a_100000691019_100011218213 [0,2,0,0,0,0|2,0,0]=4 9616 B13R1.4453 CSCN(C)c1c(cccc1F)F 2230a_100000743377_100011218213 [0,2,0,0,0,0|2,0,0]=4 9617 B13R1.4453 CSCN(C)c1c(cccc1F)F 269982a_100000743377_100011218213 [0,2,0,0,0,0|2,0,0]=4 9618 B13R1.4453 CSCN(C)c1c(cccc1F)F 34a_100000743377_100011218213 [0,2,0,0,0,0|2,0,0]=4 9619 B11R1.189 C=Cc1cccc(c1)CNC 26a_100102657272_100011309434 [0,0,1,1,0,0|0,0,2]=4 9620 B11R1.189 C=Cc1cccc(c1)CNC 270004a_106832991635_100011218069 [0,0,1,1,0,0|0,0,2]=4 9621 B11R1.189 C=Cc1cccc(c1)CNC 271570a_100011290941_100000187585 [0,0,1,1,0,0|0,0,2]=4 9622 B11R1.189 C=Cc1cccc(n1)CNC 271570a_100011290941_106354212997 [0,0,1,1,0,0|1,0,1]=4 9623 B11R1.41 C=Cc1ccccc1CNC 271570a_100011290941_100000184654 [0,0,1,1,0,0|0,0,2]=4 9624 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|0,0,0]=2 9625 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|1,0,0]=3 9626 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|1,0,0]=3 9627 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|1,0,0]=3 9628 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|1,0,0]=3 9629 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 9630 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 9631 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 9632 B11R2.11 CN1CC(C1)n2cccn2 2230a_100000751007_200000210301 [0,0,0,1,1,0|2,0,0]=4 9633 B11R2.11 CN1CC(C1)n2cccn2 269982a_100000751007_200000210301 [0,0,0,1,1,0|2,0,0]=4 9634 B11R2.11 CN1CC(C1)n2ccnc2 269982a_100020592337_200000210301 [0,0,0,1,1,0|2,0,0]=4 9635 B11R2.11 [13CH3]N1CC(C1)n2cccn2 2230a_100000751007_200025704644 [0,0,0,1,1,0|2,0,0]=4 9636 B11R2.11 [13CH3]N1CC(C1)n2cccn2 269982a_100000751007_200025704644 [0,0,0,1,1,0|2,0,0]=4 9637 B11R2.11 [13CH3]N1CC(C1)n2ccnc2 269982a_100020592337_200025704644 [0,0,0,1,1,0|2,0,0]=4 9638 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,0,0,1,0,1|2,0,0]=4 9639 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,0,0,1,0,1|2,0,0]=4 9640 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,0,0,1,0,1|2,0,0]=4 9641 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,0,0,1,0,1|2,0,0]=4 9642 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,0,0,1,0,1|2,0,0]=4 9643 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,0,0,1,0,1|2,0,0]=4 9644 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,0,0,1,0,1|2,0,0]=4 9645 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,0,0,1,0,1|2,0,0]=4 9646 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,0,0,1,0,1|1,0,0]=3 9647 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,0,0,1,0,1|1,0,0]=3 9648 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,0,0,1,0,1|2,0,0]=4 9649 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,0,0,1,0,1|2,0,0]=4 9650 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,0,0,1,0,1|1,0,0]=3 9651 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,0,0,1,0,1|1,0,0]=3 9652 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,0,0,1,0,1|2,0,0]=4 9653 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,0,0,1,0,1|2,0,0]=4 9654 B13R2.26 CCCN1Cc2ccccc2C1 2230a_100000752595_100000210303 [0,0,0,1,0,1|2,0,0]=4 9655 B13R2.26 CCCN1Cc2ccccc2C1 269982a_100000752595_100000210303 [0,0,0,1,0,1|2,0,0]=4 9656 B13R2.26 CCCN1Cc2ccccc2C1 34a_100000752595_100000210303 [0,0,0,1,0,1|2,0,0]=4 9657 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,0,0,1,0,1|2,0,0]=4 9658 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,0,0,1,0,1|2,0,0]=4 9659 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,0,0,1,0,1|2,0,0]=4 9660 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,0,0,1,0,1|2,0,0]=4 9661 B13R2.26 CCSC1Cc2ccccc2C1 62a_100000210202_100000753484 [0,0,0,1,0,1|2,0,0]=4 9662 B13R2.26 CNCC1Cc2ccccc2C1 2230a_100000757167_200000210301 [0,0,0,1,0,1|0,0,0]=2 9663 B13R2.26 CNCC1Cc2ccccc2C1 34a_100000757167_200000210301 [0,0,0,1,0,1|0,0,0]=2 9664 B13R2.26 CNCC1Cc2ccccc2O1 2230a_100015207006_200000210301 [0,0,0,1,0,1|0,0,0]=2 9665 B13R2.26 CNCC1Cc2ccccc2O1 34a_100015207006_200000210301 [0,0,0,1,0,1|0,0,0]=2 9666 B13R2.26 CNCc1cc2ccccc2[nH]1 270004a_106832991635_100000051030 [0,0,0,1,0,1|0,0,2]=4 9667 B13R2.26 CNCc1cc2ccccc2o1 207a_100102657272_100000229944 [0,0,0,1,0,1|0,0,2]=4 9668 B13R2.26 CNCc1cc2ccccc2o1 270004a_106832991635_100000229944 [0,0,0,1,0,1|0,0,2]=4 9669 B13R2.26 CNCc1cc2ccccc2s1 207a_100102657272_100000686906 [0,0,0,1,0,1|0,0,2]=4 9670 B13R2.26 CNCc1cc2ccccc2s1 2230a_100015187092_200000210301 [0,0,0,1,0,1|0,0,2]=4 9671 B13R2.26 CNCc1cc2ccccc2s1 270004a_106832991635_100000686906 [0,0,0,1,0,1|0,0,2]=4 9672 B13R2.26 CNCc1nc2ccccc2[nH]1 207a_100102657272_100000185668 [0,0,0,1,0,1|1,0,1]=4 9673 B13R2.26 CNCc1nc2ccccc2[nH]1 2230a_106832991635_100000737899 [0,0,0,1,0,1|1,0,1]=4 9674 B13R2.26 CNCc1nc2ccccc2[nH]1 270004a_106832991635_100000185668 [0,0,0,1,0,1|1,0,1]=4 9675 B13R2.26 CNCc1nc2ccccc2[nH]1 7a_106832991635_100000737899 [0,0,0,1,0,1|1,0,1]=4 9676 B13R2.26 CNCc1nc2ccccc2o1 2230a_106832991635_100000195508 [0,0,0,1,0,1|1,0,1]=4 9677 B13R2.26 CNCc1nc2ccccc2o1 34a_100102657272_200012361514 [0,0,0,1,0,1|1,0,1]=4 9678 B13R2.26 CNCc1nc2ccccc2o1 7a_106832991635_100000195508 [0,0,0,1,0,1|1,0,1]=4 9679 B13R2.26 CNCc1nc2ccccc2s1 2230a_106832991635_100000766747 [0,0,0,1,0,1|1,0,1]=4 9680 B13R2.26 CNCc1nc2ccccc2s1 270004a_106832991635_100011204187 [0,0,0,1,0,1|1,0,1]=4 9681 B13R2.26 CNCc1nc2ccccc2s1 34a_100102657272_100011217541 [0,0,0,1,0,1|1,0,1]=4 9682 B13R2.26 CNCc1nc2ccccc2s1 7a_106832991635_100011217541 [0,0,0,1,0,1|1,0,1]=4 9683 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,0,0,1,0,1|1,0,0]=3 9684 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,0,0,1,0,1|1,0,0]=3 9685 B13R2.26 COCN1Cc2ccccc2C1 2230a_100000752595_100000766300 [0,0,0,1,0,1|2,0,0]=4 9686 B13R2.26 COCN1Cc2ccccc2C1 269982a_100000752595_100000766300 [0,0,0,1,0,1|2,0,0]=4 9687 B13R2.26 COC[C@@H]1Cc2ccccc2N1 34a_100011830367_200000210301 [0,0,0,1,0,1|1,0,0]=3 9688 B13R2.26 CSCN1Cc2ccccc2C1 2230a_100000752595_100011218213 [0,0,0,1,0,1|2,0,0]=4 9689 B13R2.26 CSCN1Cc2ccccc2C1 269982a_100000752595_100011218213 [0,0,0,1,0,1|2,0,0]=4 9690 B13R2.26 CSCN1Cc2ccccc2C1 34a_100000752595_100011218213 [0,0,0,1,0,1|2,0,0]=4 9691 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 2230a_100000757167_200025704644 [0,0,0,1,0,1|0,0,0]=2 9692 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 34a_100000757167_200025704644 [0,0,0,1,0,1|0,0,0]=2 9693 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 2230a_100015207006_200025704644 [0,0,0,1,0,1|0,0,0]=2 9694 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 34a_100015207006_200025704644 [0,0,0,1,0,1|0,0,0]=2 9695 B13R2.26 [13CH3]NCc1cc2ccccc2s1 2230a_100015187092_200025704644 [0,0,0,1,0,1|0,0,2]=4 9696 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,0,0,1,0,1|1,0,0]=3 9697 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,0,0,1,0,1|1,0,0]=3 9698 B13R2.26 [13CH3]OC[C@@H]1Cc2ccccc2N1 34a_100011830367_200025704644 [0,0,0,1,0,1|1,0,0]=3 9699 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [0,0,0,1,0,1|2,0,0]=4 9700 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [0,0,0,1,0,1|2,0,0]=4 9701 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [0,0,0,1,0,1|2,0,0]=4 9702 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [0,0,0,1,0,1|2,0,0]=4 9703 B13R2.31 CN1CC(C1)Oc2ccccc2 269982a_100000751016_200000210301 [0,0,0,1,0,1|0,0,0]=2 9704 B13R2.31 CN1CC(C1)Oc2ccccn2 269982a_100132309326_200000210301 [0,0,0,1,0,1|1,0,0]=3 9705 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,0,0,1,0,1|2,0,0]=4 9706 B13R2.31 [13CH3]N1CC(C1)Oc2ccccc2 269982a_100000751016_200025704644 [0,0,0,1,0,1|0,0,0]=2 9707 B13R2.31 [13CH3]N1CC(C1)Oc2ccccn2 269982a_100132309326_200025704644 [0,0,0,1,0,1|1,0,0]=3 9708 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,0,0,1,0,1|2,0,0]=4 9709 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,0,0,1,0,1|2,0,0]=4 9710 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,0,0,1,0,1|2,0,0]=4 9711 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,0,0,1,0,1|1,0,1]=4 9712 B13R2.64 c1cc(ccn1)OC2CCCC2 34a_100000212176_100000179811 [0,0,0,1,0,1|2,0,0]=4 9713 B13R2.64 c1cc(ccn1)OC2CCOC2 34a_100000212176_100000690089 [0,0,0,1,0,1|2,0,0]=4 9714 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100000728582_100000179811 [0,0,0,1,0,1|2,0,0]=4 9715 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100011217020_100000728582 [0,0,0,1,0,1|2,0,0]=4 9716 B13R2.64 c1cc(ccn1)SC2CCOC2 62a_100000728582_100000690089 [0,0,0,1,0,1|2,0,0]=4 9717 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,0,0,1,0,1|2,0,0]=4 9718 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,0,0,1,0,1|2,0,0]=4 9719 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,0,0,1,0,1|2,0,0]=4 9720 B13R2.64 c1ccc(cc1)CN2CCSC2 2230a_100011215254_100015291786 [0,0,0,1,0,1|2,0,0]=4 9721 B13R2.64 c1ccc(cc1)CN2CCSC2 269982a_100011215254_100000211182 [0,0,0,1,0,1|2,0,0]=4 9722 B13R2.64 c1ccc(cc1)CN2CCSC2 270004a_100011215254_100015611070 [0,0,0,1,0,1|2,0,0]=4 9723 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,0,0,1,0,1|1,0,0]=3 9724 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,0,0,1,0,1|1,0,0]=3 9725 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,0,0,1,0,1|1,0,0]=3 9726 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,0,0,1,0,1|1,0,0]=3 9727 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,0,0,1,0,1|1,0,0]=3 9728 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,0,0,1,0,1|1,0,0]=3 9729 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,0,0,1,0,1|1,0,0]=3 9730 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,0,0,1,0,1|1,0,0]=3 9731 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,0,0,1,0,1|1,0,0]=3 9732 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011216584_100000179811 [0,0,0,1,0,1|2,0,0]=4 9733 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011217020_100011216584 [0,0,0,1,0,1|2,0,0]=4 9734 B13R2.64 c1ccc(nc1)SC2CCOC2 62a_100011216584_100000690089 [0,0,0,1,0,1|2,0,0]=4 9735 B13R2.64 c1cncc(c1)OC2CCCC2 34a_100000210849_100000179811 [0,0,0,1,0,1|2,0,0]=4 9736 B13R2.64 c1cncc(c1)OC2CCCC2 7a_100000210849_100000179811 [0,0,0,1,0,1|2,0,0]=4 9737 B13R2.64 c1cncc(c1)OC2CCOC2 34a_100000210849_100000690089 [0,0,0,1,0,1|2,0,0]=4 9738 B13R2.64 c1cncc(c1)OC2CCOC2 7a_100000210849_100000731011 [0,0,0,1,0,1|2,0,0]=4 9739 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100000210063_100000179811 [0,0,0,1,0,1|2,0,0]=4 9740 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100011217020_100000210063 [0,0,0,1,0,1|2,0,0]=4 9741 B13R2.64 c1cncc(c1)SC2CCOC2 62a_100000210063_100000690089 [0,0,0,1,0,1|2,0,0]=4 9742 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,0,0,1,0,1|1,0,0]=3 9743 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,0,0,1,0,1|1,0,0]=3 9744 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,0,0,1,0,1|2,0,0]=4 9745 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,0,0,1,0,1|2,0,0]=4 9746 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,0,0,1,0,1|2,0,0]=4 9747 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,0,0,1,0,1|2,0,0]=4 9748 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,0,0,1,0,1|2,0,0]=4 9749 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,0,0,1,0,1|2,0,0]=4 9750 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,0,0,1,0,1|2,0,0]=4 9751 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,0,0,1,0,1|2,0,0]=4 9752 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,0,0,1,0,1|2,0,0]=4 9753 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,0,0,1,0,1|2,0,0]=4 9754 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,0,0,1,0,1|2,0,0]=4 9755 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,0,0,1,0,1|2,0,0]=4 9756 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000226674_100015291786 [0,0,0,1,0,1|2,0,0]=4 9757 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000759432_200000210301 [0,0,0,1,0,1|2,0,0]=4 9758 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000186898_100000211595 [0,0,0,1,0,1|2,0,0]=4 9759 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000226674_100000211182 [0,0,0,1,0,1|2,0,0]=4 9760 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000759432_200000210301 [0,0,0,1,0,1|2,0,0]=4 9761 B13R2.444 CN(Cc1ccccc1)C2CC2 270004a_100000226674_100015611070 [0,0,0,1,0,1|2,0,0]=4 9762 B13R2.444 CN(Cc1ccccc1)C2CC2 34a_100000759432_200000210301 [0,0,0,1,0,1|2,0,0]=4 9763 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 2230a_100000759432_200025704644 [0,0,0,1,0,1|2,0,0]=4 9764 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 269982a_100000759432_200025704644 [0,0,0,1,0,1|2,0,0]=4 9765 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 34a_100000759432_200025704644 [0,0,0,1,0,1|2,0,0]=4 9766 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [0,1,0,1,0,0|2,0,0]=4 9767 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [0,1,0,1,0,0|2,0,0]=4 9768 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [0,1,0,1,0,0|2,0,0]=4 9769 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [0,1,0,1,0,0|2,0,0]=4 9770 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [0,1,0,1,0,0|2,0,0]=4 9771 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,1,0,1,0,0|2,0,0]=4 9772 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,1,0,1,0,0|2,0,0]=4 9773 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [0,1,0,1,0,0|2,0,0]=4 9774 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [0,1,0,1,0,0|0,0,0]=2 9775 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [0,1,0,1,0,0|0,0,0]=2 9776 B13R2.1 CNCc1coc2c1cccc2 207a_100102657272_100000688544 [0,1,0,1,0,0|0,0,2]=4 9777 B13R2.1 CNCc1coc2c1cccc2 270004a_106832991635_100000688544 [0,1,0,1,0,0|0,0,2]=4 9778 B13R2.1 CNCc1csc2c1cccc2 207a_100102657272_100000239721 [0,1,0,1,0,0|0,0,2]=4 9779 B13R2.1 CNCc1csc2c1cccc2 2230a_106832991635_200000742921 [0,1,0,1,0,0|0,0,2]=4 9780 B13R2.1 CNCc1csc2c1cccc2 270004a_106832991635_100000239721 [0,1,0,1,0,0|0,0,2]=4 9781 B13R2.1 CNCc1csc2c1cccc2 34a_100000744611_200000210301 [0,1,0,1,0,0|0,0,2]=4 9782 B13R2.1 CNCc1csc2c1cccc2 34a_100102657272_200000742921 [0,1,0,1,0,0|0,0,2]=4 9783 B13R2.1 CNCc1n[nH]c2c1cccc2 207a_100102657272_100000059708 [0,1,0,1,0,0|1,0,1]=4 9784 B13R2.1 CNCc1n[nH]c2c1cccc2 270004a_106832991635_100000059708 [0,1,0,1,0,0|1,0,1]=4 9785 B13R2.1 CNCc1noc2c1cccc2 34a_100102657272_100009813815 [0,1,0,1,0,0|1,0,1]=4 9786 B13R2.1 CNCc1noc2c1cccc2 7a_106832991635_100009813815 [0,1,0,1,0,0|1,0,1]=4 9787 B13R2.1 CNCn1nnc2c1cccc2 2230a_106832991635_100000033166 [0,1,0,1,0,0|2,0,0]=4 9788 B13R2.1 CNCn1nnc2c1cccc2 34a_100102657272_100000033166 [0,1,0,1,0,0|2,0,0]=4 9789 B13R2.1 CNCn1nnc2c1cccc2 7a_106832991635_100000033166 [0,1,0,1,0,0|2,0,0]=4 9790 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [0,1,0,1,0,0|0,0,0]=2 9791 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [0,1,0,1,0,0|0,0,0]=2 9792 B13R2.1 [13CH3]NCc1csc2c1cccc2 34a_100000744611_200025704644 [0,1,0,1,0,0|0,0,2]=4 9793 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,1,0,1,0,0|1,0,1]=4 9794 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,1,0,1,0,0|0,0,1]=3 9795 B13R2.3 C1=C(CCNC1)c2ccccn2 271570a_100000731432_100011216584 [0,1,0,1,0,0|1,0,1]=4 9796 B13R2.3 C1=C(CCNC1)c2cccnc2 271570a_100000731432_100000752921 [0,1,0,1,0,0|1,0,1]=4 9797 B13R2.3 C1=C(CCNC1)c2ccncc2 271570a_100000731432_100000035832 [0,1,0,1,0,0|1,0,1]=4 9798 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,1,0,1,0,0|1,0,1]=4 9799 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,1,0,1,0,0|1,0,1]=4 9800 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,1,0,1,0,0|0,0,0]=2 9801 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,1,0,1,0,0|0,0,0]=2 9802 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,1,0,1,0,0|0,0,0]=2 9803 B13R2.10 CN1CCC(C1)c2ccccn2 2230a_100102730755_200000210301 [0,1,0,1,0,0|1,0,0]=3 9804 B13R2.10 CN1CCC(C1)c2ccccn2 269982a_100102730755_200000210301 [0,1,0,1,0,0|1,0,0]=3 9805 B13R2.10 CN1CCC(C1)c2cccnc2 2230a_200015204282_200000210301 [0,1,0,1,0,0|1,0,0]=3 9806 B13R2.10 CN1CCC(C1)c2cccnc2 269982a_200015204282_200000210301 [0,1,0,1,0,0|1,0,0]=3 9807 B13R2.10 CN1CCC(C1)c2cncnc2 2230a_100025749470_200000210301 [0,1,0,1,0,0|2,0,0]=4 9808 B13R2.10 CN1CCC(C1)c2cncnc2 269982a_100025749470_200000210301 [0,1,0,1,0,0|2,0,0]=4 9809 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,1,0,1,0,0|0,0,0]=2 9810 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,1,0,1,0,0|0,0,0]=2 9811 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,1,0,1,0,0|0,0,0]=2 9812 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 2230a_100102730755_200025704644 [0,1,0,1,0,0|1,0,0]=3 9813 B13R2.10 [13CH3]N1CCC(C1)c2ccccn2 269982a_100102730755_200025704644 [0,1,0,1,0,0|1,0,0]=3 9814 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 2230a_200015204282_200025704644 [0,1,0,1,0,0|1,0,0]=3 9815 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 269982a_200015204282_200025704644 [0,1,0,1,0,0|1,0,0]=3 9816 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 2230a_100025749470_200025704644 [0,1,0,1,0,0|2,0,0]=4 9817 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 269982a_100025749470_200025704644 [0,1,0,1,0,0|2,0,0]=4 9818 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,1,0,1,0,0|2,0,0]=4 9819 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,1,0,1,0,0|2,0,0]=4 9820 B13R2.453 CCNC1(CC1)c2ccccc2 2230a_100000749958_100000210202 [0,1,0,1,0,0|2,0,0]=4 9821 B13R2.453 CNCC1(CC1)c2ccccc2 2230a_100000242008_200000210301 [0,1,0,1,0,0|0,0,0]=2 9822 B13R2.453 CNCC1(CC1)c2ccccc2 34a_100000242008_200000210301 [0,1,0,1,0,0|0,0,0]=2 9823 B13R2.453 COCC1(CC1)c2ccccc2 34a_100000704256_200000210301 [0,1,0,1,0,0|1,0,0]=3 9824 B13R2.453 COCC1(CC1)c2ccccc2 7a_100000704256_200000210301 [0,1,0,1,0,0|1,0,0]=3 9825 B13R2.453 [13CH3]NCC1(CC1)c2ccccc2 2230a_100000242008_200025704644 [0,1,0,1,0,0|0,0,0]=2 9826 B13R2.453 [13CH3]NCC1(CC1)c2ccccc2 34a_100000242008_200025704644 [0,1,0,1,0,0|0,0,0]=2 9827 B13R2.453 [13CH3]OCC1(CC1)c2ccccc2 34a_100000704256_200025704644 [0,1,0,1,0,0|1,0,0]=3 9828 B13R2.453 [13CH3]OCC1(CC1)c2ccccc2 7a_100000704256_200025704644 [0,1,0,1,0,0|1,0,0]=3 9829 B13R2.679 CCN(c1ccccc1)C2CC2 269982a_100000210013_100000211595 [0,1,0,1,0,0|2,0,0]=4 9830 B13R2.679 CCN(c1ccccc1)C2CC2 34a_100000210013_100000211595 [0,1,0,1,0,0|2,0,0]=4 9831 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,1,0,1,0,0|1,0,0]=3 9832 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,1,0,1,0,0|1,0,0]=3 9833 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,1,0,1,0,0|1,0,0]=3 9834 B13R2.679 CNC(c1ccccn1)C2CC2 2230a_100000238667_200000210301 [0,1,0,1,0,0|2,0,0]=4 9835 B13R2.679 CNC(c1ccccn1)C2CC2 269862a_106832991636_114849113519 [0,1,0,1,0,0|2,0,0]=4 9836 B13R2.679 CNC(c1ccccn1)C2CC2 34a_100000238667_200000210301 [0,1,0,1,0,0|2,0,0]=4 9837 B13R2.679 CNC(c1cccnc1)C2CC2 2230a_100000238668_200000210301 [0,1,0,1,0,0|2,0,0]=4 9838 B13R2.679 CNC(c1cccnc1)C2CC2 269862a_106832991636_100011376195 [0,1,0,1,0,0|2,0,0]=4 9839 B13R2.679 CNC(c1ccncc1)C2CC2 2230a_100012004521_200000210301 [0,1,0,1,0,0|2,0,0]=4 9840 B13R2.679 CNC(c1ccncc1)C2CC2 269862a_106832991636_200012087086 [0,1,0,1,0,0|2,0,0]=4 9841 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 9842 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 9843 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 9844 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 9845 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,1,0,1,0,0|1,0,0]=3 9846 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,1,0,1,0,0|1,0,0]=3 9847 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 2230a_100000238667_200025704644 [0,1,0,1,0,0|2,0,0]=4 9848 B13R2.679 [13CH3]NC(c1ccccn1)C2CC2 34a_100000238667_200025704644 [0,1,0,1,0,0|2,0,0]=4 9849 B13R2.679 [13CH3]NC(c1cccnc1)C2CC2 2230a_100000238668_200025704644 [0,1,0,1,0,0|2,0,0]=4 9850 B13R2.679 [13CH3]NC(c1ccncc1)C2CC2 2230a_100012004521_200025704644 [0,1,0,1,0,0|2,0,0]=4 9851 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 9852 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 9853 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 9854 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 9855 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,1,0,1,0,0|1,0,0]=3 9856 B13R2.1613 CNC1CCCc2c1cccn2 269862a_106832991636_100000058033 [0,1,0,1,0,0|2,0,0]=4 9857 B13R2.1613 CNC1CCCc2c1ccnc2 2230a_100020634316_200000210301 [0,1,0,1,0,0|2,0,0]=4 9858 B13R2.1613 CNC1CCCc2c1ccnc2 269862a_106832991636_100000087567 [0,1,0,1,0,0|2,0,0]=4 9859 B13R2.1613 CNC1CCCc2c1cncc2 269862a_106832991636_100016991936 [0,1,0,1,0,0|2,0,0]=4 9860 B13R2.1613 CNC1CCCc2c1nccc2 2230a_100011259139_200000210301 [0,1,0,1,0,0|2,0,0]=4 9861 B13R2.1613 CNC1CCCc2c1nccc2 269862a_106832991636_100000067617 [0,1,0,1,0,0|2,0,0]=4 9862 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|2,0,0]=4 9863 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,1,0,1,0,0|2,0,0]=4 9864 B13R2.1613 CNC1COCc2c1cccc2 269862a_106832991636_100000117393 [0,1,0,1,0,0|1,0,0]=3 9865 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,1,0,1,0,0|1,0,0]=3 9866 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 9867 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 9868 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|2,0,0]=4 9869 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,1,0,1,0,0|1,0,0]=3 9870 B13R2.1613 [13CH3]NC1CCCc2c1ccnc2 2230a_100020634316_200025704644 [0,1,0,1,0,0|2,0,0]=4 9871 B13R2.1613 [13CH3]NC1CCCc2c1nccc2 2230a_100011259139_200025704644 [0,1,0,1,0,0|2,0,0]=4 9872 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|2,0,0]=4 9873 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,1,0,1,0,0|1,0,0]=3 9874 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 9875 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 9876 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|2,0,0]=4 9877 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,1,0,1,0,0|1,0,0]=3 9878 B13R2.2539 CNC1(CCC1)c2ccccc2 2230a_100000734848_200000210301 [0,1,0,1,0,0|1,0,0]=3 9879 B13R2.2539 COC1(COC1)c2ccccc2 7a_100009829368_200000210301 [0,1,0,1,0,0|1,0,0]=3 9880 B13R2.2539 [13CH3]NC1(CCC1)c2ccccc2 2230a_100000734848_200025704644 [0,1,0,1,0,0|1,0,0]=3 9881 B13R2.2539 [13CH3]OC1(COC1)c2ccccc2 7a_100009829368_200025704644 [0,1,0,1,0,0|1,0,0]=3 9882 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,1,0,1,0,0|1,0,1]=4 9883 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,1,0,1,0,0|1,0,1]=4 9884 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,1,0,1,0,0|0,0,0]=2 9885 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,1,0,1,0,0|1,0,1]=4 9886 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,1,0,1,0,0|2,0,0]=4 9887 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,1,0,1,0,0|2,0,0]=4 9888 B13R2.2931 CSc1nn(c2c1cccc2)C 62a_100009817141_200000210301 [0,1,0,1,0,0|1,0,1]=4 9889 B13R2.2931 CSc1nn(c2c1cccc2)C 62a_200000210301_100009817141 [0,1,0,1,0,0|1,0,1]=4 9890 B13R2.2931 Cn1nc(c2c1cccc2)S[13CH3] 62a_100009817141_200025704644 [0,1,0,1,0,0|1,0,1]=4 9891 B13R2.2931 Cn1nc(c2c1cccc2)S[13CH3] 62a_200025704644_100009817141 [0,1,0,1,0,0|1,0,1]=4 9892 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,1,0,1,0,0|2,0,0]=4 9893 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,1,0,1,0,0|2,0,0]=4 9894 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,1,0,1,0,0|2,0,0]=4 9895 B13R2.12 Oc1ccc(cc1)N2CCCC2 271570a_203496583355_100011821362 [0,1,0,1,0,0|2,0,0]=4 9896 B13R2.42 CNC1CC1c2ccc(cc2)Br 2230a_100000755575_200000210301 [0,1,0,1,0,0|0,0,0]=2 9897 B13R2.42 CNC1CC1c2ccc(cc2)Br 34a_100000755575_200000210301 [0,1,0,1,0,0|0,0,0]=2 9898 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200000210301 [0,1,0,1,0,0|0,0,0]=2 9899 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200000210301 [0,1,0,1,0,0|0,0,0]=2 9900 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 2230a_100000755575_200025704644 [0,1,0,1,0,0|0,0,0]=2 9901 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 34a_100000755575_200025704644 [0,1,0,1,0,0|0,0,0]=2 9902 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200025704644 [0,1,0,1,0,0|0,0,0]=2 9903 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200025704644 [0,1,0,1,0,0|0,0,0]=2 9904 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,1,0,1,0,0|2,0,0]=4 9905 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [0,1,0,1,0,0|2,0,0]=4 9906 B13R2.520 CN(c1ccc(cc1)Br)C2CC2 269982a_100000219623_100000211595 [0,1,0,1,0,0|2,0,0]=4 9907 B13R2.520 CN(c1ccc(cc1)Br)C2CC2 34a_100000219623_100000211595 [0,1,0,1,0,0|2,0,0]=4 9908 B13R2.520 CN(c1ccc(cc1)Cl)C2CC2 269982a_100020629279_100000211595 [0,1,0,1,0,0|2,0,0]=4 9909 B13R2.520 CN(c1ccc(cc1)Cl)C2CC2 34a_100020629279_100000211595 [0,1,0,1,0,0|2,0,0]=4 9910 B13R2.520 CN(c1ccc(cc1)F)C2CC2 269982a_100000219829_100000211595 [0,1,0,1,0,0|2,0,0]=4 9911 B13R2.520 CN(c1ccc(cc1)F)C2CC2 34a_100000219829_100000211595 [0,1,0,1,0,0|2,0,0]=4 9912 B13R2.520 CN(c1ccc(cc1)I)C2CC2 269982a_100000743151_100000211595 [0,1,0,1,0,0|2,0,0]=4 9913 B13R2.520 CN(c1ccc(cc1)I)C2CC2 34a_100000743151_100000211595 [0,1,0,1,0,0|2,0,0]=4 9914 B13R2.520 CN(c1ccc(cc1)O)C2CC2 269982a_100000182112_100000211595 [0,1,0,1,0,0|2,0,0]=4 9915 B13R2.520 CN(c1ccc(cc1)O)C2CC2 34a_100000182112_100000211595 [0,1,0,1,0,0|2,0,0]=4 9916 B13R2.520 Cc1ccc(cc1)N(C)C2CC2 269982a_100000219977_100000211595 [0,1,0,1,0,0|2,0,0]=4 9917 B13R2.520 Cc1ccc(cc1)N(C)C2CC2 34a_100000219977_100000211595 [0,1,0,1,0,0|2,0,0]=4 9918 B13R2.520 Oc1ccc(cc1)C(O)C2CC2 271570a_203496583355_100000756592 [0,1,0,1,0,0|2,0,0]=4 9919 B13R2.2986 NC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100000746438 [0,1,0,1,0,0|2,0,0]=4 9920 B13R2.2986 Oc1ccc(cc1)C2(CCC2)O 271570a_203496583355_100010132843 [0,1,0,1,0,0|2,0,0]=4 9921 B13R2.2986 Oc1ccc(cc1)C2(COC2)O 271570a_203496583355_100010074357 [0,1,0,1,0,0|2,0,0]=4 9922 B13R2.5179 N[C@H]1CCCc2c1ccc(c2)O 271570a_203496583355_100160469487 [0,1,0,1,0,0|2,0,0]=4 9923 B13R2.5187 Cc1nn(c2c1cc(cc2)O)C 271570a_203496583355_100010255089 [0,1,0,1,0,0|1,0,1]=4 9924 B13R2.5187 Cc1nn(c2c1ccc(c2)O)C 271570a_203496583355_100010255092 [0,1,0,1,0,0|1,0,1]=4 9925 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,1,0,1,0,0|2,0,0]=4 9926 B13R2.13 Oc1cccc(c1)N2CCCC2 271570a_203496583355_100020633440 [0,1,0,1,0,0|2,0,0]=4 9927 B13R2.162 CC1CCNc2c1cc(cc2)O 271570a_203496583355_200013856564 [0,1,0,1,0,0|2,0,0]=4 9928 B13R2.162 NC1CCCc2c1cc(cc2)O 271570a_203496583355_100011742594 [0,1,0,1,0,0|2,0,0]=4 9929 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [0,1,0,1,0,0|2,0,0]=4 9930 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [0,1,0,1,0,0|2,0,0]=4 9931 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [0,1,0,1,0,0|2,0,0]=4 9932 B13R2.3018 Oc1cccc(c1)C2(CCC2)O 271570a_203496583355_200010765678 [0,1,0,1,0,0|2,0,0]=4 9933 B13R2.5324 CN(c1cccc(c1)Br)C2CC2 269982a_100000219648_100000211595 [0,1,0,1,0,0|2,0,0]=4 9934 B13R2.5324 CN(c1cccc(c1)Br)C2CC2 34a_100000219648_100000211595 [0,1,0,1,0,0|2,0,0]=4 9935 B13R2.5324 CN(c1cccc(c1)Cl)C2CC2 269982a_100000220044_100000211595 [0,1,0,1,0,0|2,0,0]=4 9936 B13R2.5324 CN(c1cccc(c1)Cl)C2CC2 34a_100000220044_100000211595 [0,1,0,1,0,0|2,0,0]=4 9937 B13R2.5324 CN(c1cccc(c1)F)C2CC2 269982a_100020633736_100000211595 [0,1,0,1,0,0|2,0,0]=4 9938 B13R2.5324 CN(c1cccc(c1)F)C2CC2 34a_100020633736_100000211595 [0,1,0,1,0,0|2,0,0]=4 9939 B13R2.5324 CN(c1cccc(c1)I)C2CC2 269982a_100000221217_100000211595 [0,1,0,1,0,0|2,0,0]=4 9940 B13R2.5324 CN(c1cccc(c1)I)C2CC2 34a_100000221217_100000211595 [0,1,0,1,0,0|2,0,0]=4 9941 B13R2.5324 CN(c1cccc(c1)O)C2CC2 269982a_100000756613_100000211595 [0,1,0,1,0,0|2,0,0]=4 9942 B13R2.5324 CN(c1cccc(c1)O)C2CC2 34a_100000756613_100000211595 [0,1,0,1,0,0|2,0,0]=4 9943 B13R2.5324 Cc1cccc(c1)N(C)C2CC2 269982a_100000219674_100000211595 [0,1,0,1,0,0|2,0,0]=4 9944 B13R2.5324 Cc1cccc(c1)N(C)C2CC2 34a_100000219674_100000211595 [0,1,0,1,0,0|2,0,0]=4 9945 B13R2.52 CCN1CC(C1)c2cccnc2 269982a_100015183634_100000204670 [0,1,0,1,0,0|1,0,0]=3 9946 B13R2.52 CCN1CC(C1)c2ccncc2 269982a_100015185986_100000204670 [0,1,0,1,0,0|1,0,0]=3 9947 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,1,0,0|0,0,0]=2 9948 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,1,0,0|0,0,0]=2 9949 B13R2.52 FCN1CC(C1)c2cccnc2 269982a_100015183634_100015361967 [0,1,0,1,0,0|1,0,0]=3 9950 B13R2.52 FCN1CC(C1)c2ccncc2 269982a_100015185986_100015361967 [0,1,0,1,0,0|1,0,0]=3 9951 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,1,0,0|0,0,0]=2 9952 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,1,0,1,0,0|1,0,0]=3 9953 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,1,0,1,0,0|1,0,0]=3 9954 B13R2.690 CN(CC1CC1)c2ccccc2 2230a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 9955 B13R2.690 CN(CC1CC1)c2ccccc2 269982a_100000210012_100000756562 [0,1,0,1,0,0|2,0,0]=4 9956 B13R2.690 CN(CC1CC1)c2ccccc2 34a_100000210012_100000742324 [0,1,0,1,0,0|2,0,0]=4 9957 B13R2.690 CN(CC1CO1)c2ccccc2 2230a_100000210012_100011216344 [0,1,0,1,0,0|2,0,0]=4 9958 B13R2.690 CN(CC1CO1)c2ccccc2 269982a_100000210012_102125554688 [0,1,0,1,0,0|2,0,0]=4 9959 B13R2.690 CN(CC1CO1)c2ccccc2 34a_100000210012_102125554688 [0,1,0,1,0,0|2,0,0]=4 9960 B13R2.690 CN(CC1CS1)c2ccccc2 269982a_100000210012_100000031435 [0,1,0,1,0,0|2,0,0]=4 9961 B13R2.690 CN(C[C@@H]1CO1)c2ccccc2 269982a_100000210012_100000745022 [0,1,0,1,0,0|2,0,0]=4 9962 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,1,0,1,0,0|1,0,0]=3 9963 B13R2.1028 C#CCSC1Cc2c1cccc2 62a_100000038162_100009813401 [0,1,0,1,0,0|1,0,1]=4 9964 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100000210623_100009813401 [0,1,0,1,0,0|1,0,1]=4 9965 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100009813401_100000210623 [0,1,0,1,0,0|1,0,1]=4 9966 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,1,0,1,0,0|1,0,0]=3 9967 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,1,0,1,0,0|1,0,0]=3 9968 B13R2.1028 CCNN=C1Cc2c1cccc2 4a_100000756455_100000051409 [0,1,0,1,0,0|1,0,1]=4 9969 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,1,0,1,0,0|1,0,0]=3 9970 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,1,0,1,0,0|1,0,0]=3 9971 B13R2.1028 COCSC1Cc2c1cccc2 62a_100000766300_100009813401 [0,1,0,1,0,0|1,0,0]=3 9972 B13R2.1028 COCSC1Cc2c1cccc2 62a_100009813401_100000766300 [0,1,0,1,0,0|1,0,0]=3 9973 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100009813401_100011218213 [0,1,0,1,0,0|1,0,0]=3 9974 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100011218213_100009813401 [0,1,0,1,0,0|1,0,0]=3 9975 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100009813401_100011217306 [0,1,0,1,0,0|2,0,0]=4 9976 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100011217306_100009813401 [0,1,0,1,0,0|2,0,0]=4 9977 B13R2.1028 FCOCC1Cc2c1cccc2 34a_100012476685_100015361967 [0,1,0,1,0,0|1,0,0]=3 9978 B13R2.1028 FCOCC1Cc2c1cccc2 7a_100012476685_100015361967 [0,1,0,1,0,0|1,0,0]=3 9979 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100009813401_100011215382 [0,1,0,1,0,0|2,0,0]=4 9980 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100011215382_100009813401 [0,1,0,1,0,0|2,0,0]=4 9981 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_100009813401_200015260668 [0,1,0,1,0,0|2,0,0]=4 9982 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_200015260668_100009813401 [0,1,0,1,0,0|2,0,0]=4 9983 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100000211926_100009813401 [0,1,0,1,0,0|2,0,0]=4 9984 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100009813401_100000211926 [0,1,0,1,0,0|2,0,0]=4 9985 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,1,0,1,0,0|1,0,0]=3 9986 B13R2.8137 CN(c1ccccc1)C2CCC2 269982a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 9987 B13R2.8137 CN(c1ccccc1)C2CCC2 34a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 9988 B13R2.8137 CN(c1ccccc1)C2COC2 269982a_100000210012_100000687716 [0,1,0,1,0,0|2,0,0]=4 9989 B13R2.8137 CN(c1ccccc1)C2COC2 34a_100000210012_100009818527 [0,1,0,1,0,0|2,0,0]=4 9990 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 9991 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 9992 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,1,0,1,0,0|2,0,0]=4 9993 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 9994 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 9995 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,1,0,1,0,0|2,0,0]=4 9996 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,1,0,0|1,0,0]=3 9997 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,1,0,0|1,0,0]=3 9998 B13R2.45 CNc1nc2ccccc2n1C 27a_100102657272_200000239431 [0,1,0,1,0,0|1,0,1]=4 9999 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|2,0,0]=4 10000 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,1,0,1,0,0|2,0,0]=4 10001 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,1,0,1,0,0|2,0,0]=4 10002 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,1,0,1,0,0|2,0,0]=4 10003 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,1,0,1,0,0|2,0,0]=4 10004 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,1,0,1,0,0|1,0,1]=4 10005 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,1,0,1,0,0|2,0,0]=4 10006 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,1,0,1,0,0|0,0,1]=3 10007 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,1,0,1,0,0|0,0,1]=3 10008 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,1,0,1,0,0|0,0,1]=3 10009 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,1,0,1,0,0|0,0,1]=3 10010 B13R2.238 CN1CC(C1)(O)c2ccccc2 2230a_100000717221_200000210301 [0,1,0,1,0,0|0,0,0]=2 10011 B13R2.238 CN1CC(C1)(O)c2ccccc2 269982a_100000717221_200000210301 [0,1,0,1,0,0|0,0,0]=2 10012 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 2230a_100000717221_200025704644 [0,1,0,1,0,0|0,0,0]=2 10013 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 269982a_100000717221_200025704644 [0,1,0,1,0,0|0,0,0]=2 10014 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,1,0,1,0,0|2,0,0]=4 10015 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,1,0,1,0,0|1,0,0]=3 10016 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,1,0,1,0,0|2,0,0]=4 10017 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,1,0,1,0,0|1,0,0]=3 10018 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100000210206_100009813401 [0,1,0,1,0,0|2,0,0]=4 10019 B13R2.5881 CC(C)SC1Cc2c1cccc2 62a_100009813401_100000210206 [0,1,0,1,0,0|2,0,0]=4 10020 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,1,0,0|2,0,0]=4 10021 B13R2.18 Oc1ccccc1C2CCNC2 271570a_203496583355_100010170462 [0,1,0,1,0,0|0,0,0]=2 10022 B13R2.18 Oc1ccccc1N2CCCC2 271570a_203496583355_100011821364 [0,1,0,1,0,0|2,0,0]=4 10023 B13R2.567 CNC1CC1c2ccccc2F 2230a_100000753450_200000210301 [0,1,0,1,0,0|0,0,0]=2 10024 B13R2.567 CNC1CC1c2ccccc2F 34a_100000753450_200000210301 [0,1,0,1,0,0|0,0,0]=2 10025 B13R2.567 [13CH3]NC1CC1c2ccccc2F 2230a_100000753450_200025704644 [0,1,0,1,0,0|0,0,0]=2 10026 B13R2.567 [13CH3]NC1CC1c2ccccc2F 34a_100000753450_200025704644 [0,1,0,1,0,0|0,0,0]=2 10027 B13R2.3097 CN(c1ccccc1Br)C2CC2 269982a_100020606079_100000211595 [0,1,0,1,0,0|2,0,0]=4 10028 B13R2.3097 CN(c1ccccc1Br)C2CC2 34a_100020606079_100000211595 [0,1,0,1,0,0|2,0,0]=4 10029 B13R2.3097 CN(c1ccccc1Cl)C2CC2 269982a_100000219374_100000211595 [0,1,0,1,0,0|2,0,0]=4 10030 B13R2.3097 CN(c1ccccc1Cl)C2CC2 34a_100000219374_100000211595 [0,1,0,1,0,0|2,0,0]=4 10031 B13R2.3097 CN(c1ccccc1F)C2CC2 269982a_100000220357_100000211595 [0,1,0,1,0,0|2,0,0]=4 10032 B13R2.3097 CN(c1ccccc1F)C2CC2 34a_100000220357_100000211595 [0,1,0,1,0,0|2,0,0]=4 10033 B13R2.3097 CN(c1ccccc1O)C2CC2 269982a_100000033821_100000211595 [0,1,0,1,0,0|2,0,0]=4 10034 B13R2.3097 Cc1ccccc1N(C)C2CC2 269982a_100000219699_100000211595 [0,1,0,1,0,0|2,0,0]=4 10035 B13R2.3097 Cc1ccccc1N(C)C2CC2 34a_100000219699_100000211595 [0,1,0,1,0,0|2,0,0]=4 10036 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [1,0,0,0,1,0|1,0,0]=3 10037 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [1,0,0,0,1,0|1,0,0]=3 10038 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [1,0,0,0,1,0|1,0,0]=3 10039 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [1,0,0,0,1,0|2,0,0]=4 10040 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [1,0,0,0,1,0|2,0,0]=4 10041 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [1,0,0,0,1,0|2,0,0]=4 10042 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [1,0,0,0,1,0|1,0,0]=3 10043 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [1,0,0,0,1,0|1,0,0]=3 10044 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [1,0,0,0,1,0|1,0,0]=3 10045 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [1,0,0,0,1,0|1,0,0]=3 10046 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [1,0,0,0,1,0|2,0,0]=4 10047 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [1,0,0,0,1,0|1,0,0]=3 10048 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [1,0,0,0,1,0|1,0,0]=3 10049 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [1,0,0,0,1,0|1,0,0]=3 10050 B9R1.11 CNC(C)c1cn[nH]c1 269862a_106832991636_100000725364 [1,0,0,0,1,0|2,0,0]=4 10051 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [1,0,0,0,1,0|2,0,0]=4 10052 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [1,0,0,0,1,0|2,0,0]=4 10053 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [1,0,0,0,1,0|2,0,0]=4 10054 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [1,0,0,0,1,0|1,0,0]=3 10055 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [1,0,0,0,1,0|2,0,0]=4 10056 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [1,0,0,0,1,0|2,0,0]=4 10057 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [1,0,0,0,1,0|2,0,0]=4 10058 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [1,0,0,0,1,0|2,0,0]=4 10059 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [1,0,0,0,1,0|2,0,0]=4 10060 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [1,0,0,0,1,0|1,0,0]=3 10061 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [1,0,0,0,1,0|2,0,0]=4 10062 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [1,0,0,0,1,0|2,0,0]=4 10063 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [1,0,0,0,1,0|2,0,0]=4 10064 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|2,0,0]=4 10065 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|2,0,0]=4 10066 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|2,0,0]=4 10067 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|2,0,0]=4 10068 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 10069 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 10070 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,1,0|1,0,0]=3 10071 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,1,0|1,0,0]=3 10072 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,1,0|1,0,0]=3 10073 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,1,0|1,0,0]=3 10074 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,1,0|1,0,0]=3 10075 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,1,0|1,0,0]=3 10076 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,1,0|1,0,0]=3 10077 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,1,0|1,0,0]=3 10078 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,1,0|1,0,0]=3 10079 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [1,0,0,0,1,0|2,0,0]=4 10080 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [1,0,0,0,1,0|2,0,0]=4 10081 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [1,0,0,0,1,0|2,0,0]=4 10082 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [1,0,0,0,1,0|2,0,0]=4 10083 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,0,0,0,1,0|2,0,0]=4 10084 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,1,0|1,0,0]=3 10085 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,1,0|1,0,0]=3 10086 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,1,0|1,0,0]=3 10087 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [1,0,0,0,1,0|2,0,0]=4 10088 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 10089 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [1,0,0,0,1,0|2,0,0]=4 10090 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 10091 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [1,0,0,0,1,0|2,0,0]=4 10092 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 10093 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,1,0|2,0,0]=4 10094 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 10095 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,1,0|2,0,0]=4 10096 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,1,0|2,0,0]=4 10097 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,1,0|2,0,0]=4 10098 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,1,0|2,0,0]=4 10099 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,1,0|2,0,0]=4 10100 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,1,0|2,0,0]=4 10101 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,1,0|1,0,0]=3 10102 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,1,0|1,0,0]=3 10103 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,1,0|1,0,0]=3 10104 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,1,0|1,0,0]=3 10105 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,1,0|1,0,0]=3 10106 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,1,0|1,0,0]=3 10107 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [1,0,0,0,1,0|2,0,0]=4 10108 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [1,0,0,0,1,0|2,0,0]=4 10109 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,0,0,0,1,0|2,0,0]=4 10110 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,1,0|1,0,0]=3 10111 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [1,0,0,0,1,0|2,0,0]=4 10112 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 10113 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 10114 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,1,0|2,0,0]=4 10115 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,1,0|2,0,0]=4 10116 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,1,0|2,0,0]=4 10117 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,1,0|2,0,0]=4 10118 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,1,0|2,0,0]=4 10119 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,1,0|2,0,0]=4 10120 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,0,0,0,0,2|1,0,1]=4 10121 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,0,0,0,0,2|1,0,1]=4 10122 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,0,0,0,0,2|1,0,1]=4 10123 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,0,0,0,0,2|1,0,1]=4 10124 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,0,0,0,0,2|1,0,1]=4 10125 B13R1.42 CC#CC(C)OCc1ccccc1 34a_100011216543_100015291786 [0,0,0,0,0,2|1,0,1]=4 10126 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,0,0,0,0,2|2,0,0]=4 10127 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,0,0,0,0,2|2,0,0]=4 10128 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,0,0,0,0,2|2,0,0]=4 10129 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,0,0,0,0,2|2,0,0]=4 10130 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,0,0,0,0,2|2,0,0]=4 10131 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,0,0,0,0,2|2,0,0]=4 10132 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,0,0,0,0,2|2,0,0]=4 10133 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,0,0,0,0,2|2,0,0]=4 10134 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,0,0,0,0,2|2,0,0]=4 10135 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,0,0,0,0,2|2,0,0]=4 10136 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,0,0,0,0,2|2,0,0]=4 10137 B13R1.42 CCCC(=NNc1ccccc1)C 4a_100015195140_100000211909 [0,0,0,0,0,2|1,0,1]=4 10138 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,0,0,0,0,2|1,0,0]=3 10139 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,0,0,0,0,2|1,0,0]=3 10140 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,0,0,0,0,2|1,0,0]=3 10141 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [0,0,0,0,0,2|2,0,0]=4 10142 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [0,0,0,0,0,2|2,0,0]=4 10143 B13R1.42 CCCC(C)COc1ccncc1 34a_100000212176_100011216630 [0,0,0,0,0,2|2,0,0]=4 10144 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,0,0,0,0,2|1,0,0]=3 10145 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,0,0,0,0,2|1,0,0]=3 10146 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216584_100011216630 [0,0,0,0,0,2|2,0,0]=4 10147 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216630_100011216584 [0,0,0,0,0,2|2,0,0]=4 10148 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [0,0,0,0,0,2|2,0,0]=4 10149 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [0,0,0,0,0,2|2,0,0]=4 10150 B13R1.42 CCCC(C)CSc1ccncc1 62a_100000728582_100011216630 [0,0,0,0,0,2|2,0,0]=4 10151 B13R1.42 CCCC(C)CSc1ccncc1 62a_100011216630_100000728582 [0,0,0,0,0,2|2,0,0]=4 10152 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,0,0,0,0,2|1,0,0]=3 10153 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,0,0,0,0,2|1,0,0]=3 10154 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,0,0,0,0,2|1,0,0]=3 10155 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,0,0,0,0,2|1,0,0]=3 10156 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,0,0,0,0,2|1,0,0]=3 10157 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,0,0,0,0,2|1,0,0]=3 10158 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [0,0,0,0,0,2|2,0,0]=4 10159 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [0,0,0,0,0,2|2,0,0]=4 10160 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [0,0,0,0,0,2|2,0,0]=4 10161 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [0,0,0,0,0,2|2,0,0]=4 10162 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [0,0,0,0,0,2|2,0,0]=4 10163 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [0,0,0,0,0,2|2,0,0]=4 10164 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [0,0,0,0,0,2|2,0,0]=4 10165 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [0,0,0,0,0,2|2,0,0]=4 10166 B13R1.42 CCCC(C)NCc1ccncc1 207a_100000741246_100000186114 [0,0,0,0,0,2|2,0,0]=4 10167 B13R1.42 CCCC(C)NCc1ccncc1 2230a_100000741246_100015193705 [0,0,0,0,0,2|2,0,0]=4 10168 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,0,0,0,0,2|1,0,0]=3 10169 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,0,0,0,0,2|1,0,0]=3 10170 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,0,0,0,0,2|1,0,0]=3 10171 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,0,0,0,0,2|1,0,0]=3 10172 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [0,0,0,0,0,2|2,0,0]=4 10173 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [0,0,0,0,0,2|2,0,0]=4 10174 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,0,0,0,0,2|2,0,0]=4 10175 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,0,0,0,0,2|2,0,0]=4 10176 B13R1.42 CCCC(C)OCc1ccncc1 7a_100000764384_100015193705 [0,0,0,0,0,2|2,0,0]=4 10177 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,0,0,0,0,2|1,0,0]=3 10178 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,0,0,0,0,2|1,0,0]=3 10179 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000721315_100000766640 [0,0,0,0,0,2|2,0,0]=4 10180 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000766640_100000721315 [0,0,0,0,0,2|2,0,0]=4 10181 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [0,0,0,0,0,2|2,0,0]=4 10182 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [0,0,0,0,0,2|2,0,0]=4 10183 B13R1.42 CCCC(C)SCc1ccncc1 62a_100000766640_100015193705 [0,0,0,0,0,2|2,0,0]=4 10184 B13R1.42 CCCC(C)SCc1ccncc1 62a_100015193705_100000766640 [0,0,0,0,0,2|2,0,0]=4 10185 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,0,0,0,0,2|2,0,0]=4 10186 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,0,0,0,0,2|2,0,0]=4 10187 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,0,0,0,0,2|2,0,0]=4 10188 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,0,0,0,0,2|2,0,0]=4 10189 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [0,0,0,0,0,2|2,0,0]=4 10190 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [0,0,0,0,0,2|2,0,0]=4 10191 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,0,0,0,0,2|2,0,0]=4 10192 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,0,0,0,0,2|2,0,0]=4 10193 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,0,0,0,0,2|2,0,0]=4 10194 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,0,0,0,0,2|2,0,0]=4 10195 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,0,0,0,0,2|2,0,0]=4 10196 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,0,0,0,0,2|2,0,0]=4 10197 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,0,0,0,0,2|2,0,0]=4 10198 B13R1.42 CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210202 [0,0,0,0,0,2|2,0,0]=4 10199 B13R1.42 CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210202 [0,0,0,0,0,2|2,0,0]=4 10200 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,0,0,0,0,2|2,0,0]=4 10201 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,0,0,0,0,2|2,0,0]=4 10202 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,0,0,0,0,2|2,0,0]=4 10203 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,0,0,0,0,2|2,0,0]=4 10204 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,0,0,0,0,2|1,0,1]=4 10205 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,0,0,0,0,2|1,0,1]=4 10206 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,0,0,0,0,2|1,0,1]=4 10207 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,0,0,0,0,2|1,0,1]=4 10208 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,0,0,0,0,2|1,0,1]=4 10209 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,0,0,0,0,2|1,0,1]=4 10210 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,0,0,0,0,2|1,0,1]=4 10211 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,0,0,0,0,2|1,0,1]=4 10212 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,0,0,0,0,2|1,0,1]=4 10213 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,0,0,0,0,2|1,0,1]=4 10214 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,0,0,0,0,2|1,0,0]=3 10215 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,0,0,0,0,2|1,0,0]=3 10216 B13R1.42 COCC(=NNc1ccccc1)C 4a_100015195140_100000749346 [0,0,0,0,0,2|1,0,1]=4 10217 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,0,0,0,0,2|1,0,0]=3 10218 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,0,0,0,0,2|1,0,0]=3 10219 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,0,0,0,0,2|1,0,0]=3 10220 B13R1.42 COCC(C)NCc1ccccn1 270004a_100000210449_100000749346 [0,0,0,0,0,2|2,0,0]=4 10221 B13R1.42 COCC(C)NCc1cccnc1 270004a_100000210453_100000749346 [0,0,0,0,0,2|2,0,0]=4 10222 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,0,0,0,0,2|1,0,0]=3 10223 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,0,0,0,0,2|1,0,0]=3 10224 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,0,0,0,0,2|1,0,0]=3 10225 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,0,0,0,0,2|1,0,0]=3 10226 B13R1.42 COCC(C)SCc1ccccn1 62a_100000721315_100000765312 [0,0,0,0,0,2|2,0,0]=4 10227 B13R1.42 COCC(C)SCc1ccccn1 62a_100000765312_100000721315 [0,0,0,0,0,2|2,0,0]=4 10228 B13R1.42 COCC(C)SCc1cccnc1 62a_100000741622_100000765312 [0,0,0,0,0,2|2,0,0]=4 10229 B13R1.42 COCC(C)SCc1cccnc1 62a_100000765312_100000741622 [0,0,0,0,0,2|2,0,0]=4 10230 B13R1.42 COCC(C)SCc1ccncc1 62a_100000765312_100015193705 [0,0,0,0,0,2|2,0,0]=4 10231 B13R1.42 COCC(C)SCc1ccncc1 62a_100015193705_100000765312 [0,0,0,0,0,2|2,0,0]=4 10232 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,0,0,0,0,2|2,0,0]=4 10233 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,0,0,0,0,2|2,0,0]=4 10234 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,0,0,0,0,2|2,0,0]=4 10235 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,0,0,0,0,2|2,0,0]=4 10236 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,0,0,0,0,2|2,0,0]=4 10237 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,0,0,0,0,2|2,0,0]=4 10238 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,0,0,0,0,2|2,0,0]=4 10239 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,0,0,0,0,2|1,0,0]=3 10240 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,0,0,0,0,2|1,0,0]=3 10241 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,0,0,0,0,2|1,0,0]=3 10242 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,0,0,0,0,2|1,0,0]=3 10243 B13R1.42 COC[C@@H](C)NCc1ccccn1 207a_100000764878_100000209966 [0,0,0,0,0,2|2,0,0]=4 10244 B13R1.42 COC[C@@H](C)NCc1ccccn1 2230a_100000764878_100000721315 [0,0,0,0,0,2|2,0,0]=4 10245 B13R1.42 COC[C@@H](C)NCc1ccccn1 270004a_100000764878_100000209966 [0,0,0,0,0,2|2,0,0]=4 10246 B13R1.42 COC[C@@H](C)NCc1cccnc1 207a_100000764878_100000209961 [0,0,0,0,0,2|2,0,0]=4 10247 B13R1.42 COC[C@@H](C)NCc1cccnc1 2230a_100000764878_100000741622 [0,0,0,0,0,2|2,0,0]=4 10248 B13R1.42 COC[C@@H](C)NCc1cccnc1 270004a_100000764878_100000209961 [0,0,0,0,0,2|2,0,0]=4 10249 B13R1.42 COC[C@@H](C)NCc1ccncc1 207a_100000764878_100000186114 [0,0,0,0,0,2|2,0,0]=4 10250 B13R1.42 COC[C@@H](C)NCc1ccncc1 2230a_100000764878_100015193705 [0,0,0,0,0,2|2,0,0]=4 10251 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,0,0,0,0,2|1,0,0]=3 10252 B13R1.42 COC[C@@H](C)OCc1ccccn1 34a_100011934205_100000721315 [0,0,0,0,0,2|2,0,0]=4 10253 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [0,0,0,0,0,2|2,0,0]=4 10254 B13R1.42 CSCC(=NNc1ccccc1)C 4a_100015195140_100011216314 [0,0,0,0,0,2|1,0,1]=4 10255 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,0,0,0,0,2|1,0,0]=3 10256 B13R1.42 CSCC(C)NCc1ccccn1 270004a_100000210449_100011216314 [0,0,0,0,0,2|2,0,0]=4 10257 B13R1.42 CSCC(C)NCc1cccnc1 270004a_100000210453_100011216314 [0,0,0,0,0,2|2,0,0]=4 10258 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,0,0,0,0,2|2,0,0]=4 10259 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,0,0,0,0,2|2,0,0]=4 10260 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,0,0,0,0,2|2,0,0]=4 10261 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,0,0,0,0,2|2,0,0]=4 10262 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,0,0,0,0,2|2,0,0]=4 10263 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,0,0,0,0,2|2,0,0]=4 10264 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,0,0,0,0,2|2,0,0]=4 10265 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,0,0,0,0,2|2,0,0]=4 10266 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,0,0,0,0,2|1,0,0]=3 10267 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,0,0,0,0,2|1,0,1]=4 10268 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,0,0,0,0,2|1,0,0]=3 10269 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,0,0,0,0,2|1,0,0]=3