0 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,0,0,0,0,0|1,0,3]=4 1 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,0,0,0,0,0|1,0,3]=4 4 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,0,0,0,0,0|2,1,0]=3 20 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,0,0,0,0,0|2,1,0]=3 21 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,0,0,0,0,0|1,0,2]=3 22 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,0,0,0,0,0|2,0,2]=4 32 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,0,0,0,0,0|2,0,2]=4 34 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,0,0,0,0,0|2,1,0]=3 54 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,0,0,0,0,0|2,1,0]=3 55 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,0,0,0,0,0|2,1,0]=3 56 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,0,0,0,0,0|2,0,2]=4 63 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,0,0,0,0,0|2,0,0]=2 70 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,0,0,0,0,0|2,0,0]=2 71 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,0,0,0,0,0|2,0,0]=2 72 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,0,0,0,0,0|2,0,0]=2 73 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,0,0,0,0,0|2,0,0]=2 76 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,0,0,0,0,0|2,0,0]=2 77 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,0,0,0,0,0|4,0,0]=4 84 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,0,0,0,0,0|2,0,2]=4 88 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,0,0,0,0,0|2,0,2]=4 89 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,0,0,0,0,0|3,0,1]=4 97 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,0,0,0,0,0|2,0,0]=2 99 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,0,0,0,0,0|2,1,0]=3 100 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,0,0,0,0,0|2,1,0]=3 101 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,0,0,0,0,0|1,0,3]=4 102 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,0,0,0,0,0|0,1,2]=3 103 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,0,0,0,0,0|1,0,2]=3 104 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,0,0,0,0,0|2,0,0]=2 108 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,0,0,0,0,0|2,0,2]=4 113 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,0,0,0,0,0|2,0,2]=4 114 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,0,0,0,0,0|3,0,1]=4 117 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,0,0,0,0,0|2,0,0]=2 118 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,0,0,0,0,0|2,0,0]=2 119 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|0,0,2]=3 125 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,0,0,0,0,0|2,1,0]=4 135 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,0,0,0,0,0|2,1,0]=4 136 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|1,0,2]=4 137 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 138 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 139 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|1,0,2]=4 140 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|2,0,0]=3 141 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|2,0,0]=3 142 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|2,0,0]=3 143 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|2,0,0]=3 144 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|2,0,0]=3 151 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|2,0,0]=3 154 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|2,0,0]=3 155 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|2,0,0]=3 158 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,0|0,1,2]=4 160 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|2,0,1]=4 161 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|2,0,1]=4 162 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|2,0,1]=4 163 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|2,0,1]=4 164 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 165 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 166 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 169 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,0]=2 170 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,0]=3 186 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,0]=3 187 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 198 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|2,0,0]=3 234 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|2,0,0]=3 235 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|2,0,0]=3 241 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|2,0,0]=3 242 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|1,1,0]=3 255 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|1,1,0]=3 256 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|1,1,0]=3 257 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,0,0,0,0,0|2,1,0]=4 258 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,0,0,0,0,0|2,1,0]=4 259 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [1,0,0,0,0,0|2,1,0]=4 260 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|1,1,0]=3 261 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|1,1,0]=3 262 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,0,0,0,0,0|2,1,0]=4 263 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,0,0,0,0,0|2,1,0]=4 264 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [1,0,0,0,0,0|2,1,0]=4 265 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [1,0,0,0,0,0|2,1,0]=4 266 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [1,0,0,0,0,0|2,1,0]=4 267 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [1,0,0,0,0,0|2,1,0]=4 268 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|1,1,0]=3 269 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|1,1,0]=3 270 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|1,1,0]=3 271 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|1,1,0]=3 272 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|1,1,0]=3 273 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,0,0,0,0,0|2,1,0]=4 274 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,0,0,0,0,0|2,1,0]=4 275 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [1,0,0,0,0,0|2,1,0]=4 276 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [1,0,0,0,0,0|2,1,0]=4 277 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [1,0,0,0,0,0|2,1,0]=4 278 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [1,0,0,0,0,0|2,1,0]=4 279 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|2,0,1]=4 280 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|2,0,1]=4 281 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|2,0,1]=4 282 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|2,0,1]=4 283 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|2,0,1]=4 284 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|2,0,1]=4 285 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|2,0,1]=4 286 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|2,0,1]=4 287 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|2,0,0]=3 288 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|3,0,0]=4 319 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,1,0,0,0,0|2,1,0]=4 322 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,1,0,0,0,0|2,1,0]=4 323 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,1,0,0,0,0|2,1,0]=4 327 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,1,0,0,0,0|2,1,0]=4 328 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.3 C=CC(SCF)c1ccccc1 62a_100015361967_200000085779 [0,1,0,0,0,0|2,1,0]=4 331 B12R1.3 C=CC(SCF)c1ccccc1 62a_200000085779_100015361967 [0,1,0,0,0,0|2,1,0]=4 332 B12R1.3 C=CCC(OC)c1ccccc1 34a_100000687291_200000210301 [0,1,0,0,0,0|1,0,1]=3 333 B12R1.3 C=CCC(OC)c1ccccc1 7a_100000687291_200000210301 [0,1,0,0,0,0|1,0,1]=3 334 B12R1.3 C=CCC(O[13CH3])c1ccccc1 34a_100000687291_200025704644 [0,1,0,0,0,0|1,0,1]=3 335 B12R1.3 C=CCC(O[13CH3])c1ccccc1 7a_100000687291_200025704644 [0,1,0,0,0,0|1,0,1]=3 336 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,1,0,0,0,0|2,1,0]=4 342 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,1,0,0,0,0|2,1,0]=4 343 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,1,0,0,0,0|2,0,0]=3 345 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,1,0,0,0,0|1,0,0]=2 354 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,1,0,0,0,0|1,0,0]=2 355 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,1,0,0,0,0|1,0,0]=2 357 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.3 CCN(CCF)c1ccccc1 2230a_100000210013_100011217306 [0,1,0,0,0,0|2,1,0]=4 366 B12R1.3 CCN(CCF)c1ccccc1 269982a_100000210013_100011217306 [0,1,0,0,0,0|2,1,0]=4 367 B12R1.3 CCN(CCF)c1ccccc1 34a_100000210013_100011217306 [0,1,0,0,0,0|2,1,0]=4 368 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.3 CCN(CCO)c1ccccc1 2230a_100000211345_100000210202 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.3 CCN(CCO)c1ccccc1 269982a_100000211345_100000204670 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.3 CCN(CCO)c1ccccc1 34a_100000210013_100000211926 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.3 CCN(CCO)c1ccccc1 34a_100000211345_100000210202 [0,1,0,0,0,0|3,0,0]=4 374 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.3 CCNC(CO)c1ccccn1 2230a_100015196888_100000210202 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 378 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 379 B12R1.3 CCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210202 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,1,0,0,0,0|1,0,0]=2 388 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,1,0,0,0,0|1,0,0]=2 389 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,1,0,0,0,0|2,0,0]=3 391 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,1,0,0,0,0|1,0,0]=2 394 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,1,0,0,0,0|2,0,0]=3 396 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,1,0,0,0,0|2,0,0]=3 397 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,1,0,0,0,0|2,0,0]=3 398 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [0,1,0,0,0,0|1,0,1]=3 401 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,1,0,0,0,0|0,0,0]=1 402 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,1,0,0,0,0|0,0,0]=1 403 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,1,0,0,0,0|0,1,0]=2 404 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,1,0,0,0,0|0,1,0]=2 405 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,1,0,0,0,0|2,1,0]=4 406 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,1,0,0,0,0|2,1,0]=4 407 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,1,0,0,0,0|2,1,0]=4 408 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,1,0,0,0,0|2,1,0]=4 409 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,1,0,0,0,0|2,1,0]=4 410 B12R1.3 OCCN(CF)c1ccccc1 269982a_100000211345_100015361967 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.3 OCCN(CF)c1ccccc1 34a_100000211345_100015361967 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|1,1,0]=3 413 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,1,0,0,0,0|1,0,0]=2 415 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [0,1,0,0,0,0|1,0,1]=3 416 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,1,0,0,0,0|0,0,0]=1 417 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,1,0,0,0,0|0,0,0]=1 418 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,1,0,0,0,0|0,1,0]=2 419 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,1,0,0,0,0|0,1,0]=2 420 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,1,0,0,0,0|1,0,1]=3 421 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [0,1,0,0,0,0|2,1,0]=4 423 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [0,1,0,0,0,0|2,1,0]=4 424 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [0,1,0,0,0,0|2,1,0]=4 425 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [0,1,0,0,0,0|2,1,0]=4 426 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [0,1,0,0,0,0|2,1,0]=4 427 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100000755118_100015361967 [0,1,0,0,0,0|2,1,0]=4 428 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100015361967_100000755118 [0,1,0,0,0,0|2,1,0]=4 429 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100000684792_100015361967 [0,1,0,0,0,0|2,1,0]=4 430 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100015361967_100000684792 [0,1,0,0,0,0|2,1,0]=4 431 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100000743420_100015361967 [0,1,0,0,0,0|2,1,0]=4 432 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100015361967_100000743420 [0,1,0,0,0,0|2,1,0]=4 433 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,1,0,0,0,0|1,0,2]=4 434 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,1,0,0,0,0|1,0,2]=4 435 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,1,0,0,0,0|1,0,2]=4 436 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,1,0,0,0,0|1,0,2]=4 437 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,1,0,0,0,0|1,0,2]=4 438 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,1,0,0,0,0|1,0,2]=4 439 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,1,0,0,0,0|1,0,2]=4 440 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,1,0,0,0,0|1,0,0]=2 441 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.16 CN(CCF)c1ccc(cc1)Br 2230a_100000219623_100011217306 [0,1,0,0,0,0|2,1,0]=4 497 B12R1.16 CN(CCF)c1ccc(cc1)Br 269982a_100000219623_100011217306 [0,1,0,0,0,0|2,1,0]=4 498 B12R1.16 CN(CCF)c1ccc(cc1)Br 34a_100000219623_100011217306 [0,1,0,0,0,0|2,1,0]=4 499 B12R1.16 CN(CCF)c1ccc(cc1)Cl 2230a_100020629279_100011217306 [0,1,0,0,0,0|2,1,0]=4 500 B12R1.16 CN(CCF)c1ccc(cc1)Cl 269982a_100020629279_100011217306 [0,1,0,0,0,0|2,1,0]=4 501 B12R1.16 CN(CCF)c1ccc(cc1)Cl 34a_100020629279_100011217306 [0,1,0,0,0,0|2,1,0]=4 502 B12R1.16 CN(CCF)c1ccc(cc1)F 2230a_100000219829_100011217306 [0,1,0,0,0,0|2,1,0]=4 503 B12R1.16 CN(CCF)c1ccc(cc1)F 269982a_100000219829_100011217306 [0,1,0,0,0,0|2,1,0]=4 504 B12R1.16 CN(CCF)c1ccc(cc1)F 34a_100000219829_100011217306 [0,1,0,0,0,0|2,1,0]=4 505 B12R1.16 CN(CCF)c1ccc(cc1)I 2230a_100000743151_100011217306 [0,1,0,0,0,0|2,1,0]=4 506 B12R1.16 CN(CCF)c1ccc(cc1)I 269982a_100000743151_100011217306 [0,1,0,0,0,0|2,1,0]=4 507 B12R1.16 CN(CCF)c1ccc(cc1)I 34a_100000743151_100011217306 [0,1,0,0,0,0|2,1,0]=4 508 B12R1.16 CN(CCF)c1ccc(cc1)O 269982a_100000182112_100011217306 [0,1,0,0,0,0|2,1,0]=4 509 B12R1.16 CN(CCF)c1ccc(cc1)O 34a_100000182112_100011217306 [0,1,0,0,0,0|2,1,0]=4 510 B12R1.16 CN(CCO)c1ccc(cc1)Br 2230a_100000219623_100000211926 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.16 CN(CCO)c1ccc(cc1)Br 269982a_100000219623_100000211926 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.16 CN(CCO)c1ccc(cc1)Br 34a_100000219623_100000211926 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.16 CN(CCO)c1ccc(cc1)Cl 2230a_100020629279_100000211926 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.16 CN(CCO)c1ccc(cc1)Cl 269982a_100020629279_100000211926 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.16 CN(CCO)c1ccc(cc1)Cl 34a_100020629279_100000211926 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.16 CN(CCO)c1ccc(cc1)F 2230a_100000219829_100000211926 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.16 CN(CCO)c1ccc(cc1)F 269982a_100000219829_100000211926 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.16 CN(CCO)c1ccc(cc1)F 34a_100000219829_100000211926 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.16 CN(CCO)c1ccc(cc1)I 2230a_100000743151_100000211926 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.16 CN(CCO)c1ccc(cc1)I 269982a_100000743151_100000211926 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.16 CN(CCO)c1ccc(cc1)I 34a_100000743151_100000211926 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.16 CN(CCO)c1ccc(cc1)O 269982a_100000182112_100000211926 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.16 CN(CCO)c1ccc(cc1)O 34a_100000182112_100000211926 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,1,0,0,0,0|2,0,0]=3 526 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,1,0,0,0,0|2,0,0]=3 527 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,1,0,0,0,0|2,0,0]=3 537 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,1,0,0,0,0|2,0,0]=3 541 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,1,0,0,0,0|2,0,0]=3 546 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,1,0,0,0,0|2,1,0]=4 549 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,1,0,0,0,0|2,1,0]=4 550 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,1,0,0,0,0|2,1,0]=4 551 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,1,0,0,0,0|2,1,0]=4 552 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,1,0,0,0,0|0,1,2]=4 553 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,1,0,0,0,0|1,0,2]=4 554 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100011261388_100015361967 [0,1,0,0,0,0|2,1,0]=4 555 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100015361967_100011261388 [0,1,0,0,0,0|2,1,0]=4 556 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.16 Cc1ccc(cc1)N(C)CCF 2230a_100000219977_100011217306 [0,1,0,0,0,0|2,1,0]=4 559 B12R1.16 Cc1ccc(cc1)N(C)CCF 269982a_100000219977_100011217306 [0,1,0,0,0,0|2,1,0]=4 560 B12R1.16 Cc1ccc(cc1)N(C)CCF 34a_100000219977_100011217306 [0,1,0,0,0,0|2,1,0]=4 561 B12R1.16 Cc1ccc(cc1)N(C)CCO 2230a_100000219977_100000211926 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.16 Cc1ccc(cc1)N(C)CCO 269982a_100000219977_100000211926 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.16 Cc1ccc(cc1)N(C)CCO 34a_100000219977_100000211926 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,1,0,0,0,0|2,1,0]=4 565 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,1,0,0,0,0|2,1,0]=4 566 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,1,0,0,0,0|2,1,0]=4 567 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,1,0,0,0,0|2,0,0]=3 569 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,1,0,0,0,0|0,1,2]=4 570 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,1,0,0,0,0|0,1,2]=4 571 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,1,0,0,0,0|0,1,2]=4 572 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,1,0,0,0,0|0,1,2]=4 573 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,1,0,0,0,0|0,1,2]=4 574 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,1,0,0,0,0|1,0,2]=4 575 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,1,0,0,0,0|1,0,2]=4 576 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,1,0,0,0,0|1,0,2]=4 577 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,1,0,0,0,0|1,0,2]=4 578 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,1,0,0,0,0|1,0,2]=4 579 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,1,0,0,0,0|2,0,0]=3 584 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,1,0,0,0,0|2,0,0]=3 588 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,1,0,0,0,0|2,0,0]=3 589 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,1,0,0,0,0|2,0,0]=3 590 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 34a_217856618577_100015361967 [0,1,0,0,0,0|2,1,0]=4 594 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 7a_217856618577_100015361967 [0,1,0,0,0,0|2,1,0]=4 595 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,1,0,0,0,0|2,1,0]=4 596 B12R1.17 CC(OCF)c1cccc(c1)Br 34a_100000246457_100015361967 [0,1,0,0,0,0|2,1,0]=4 597 B12R1.17 CC(OCF)c1cccc(c1)Br 7a_100000246457_100015361967 [0,1,0,0,0,0|2,1,0]=4 598 B12R1.17 CC(OCF)c1cccc(c1)F 34a_100000744526_100015361967 [0,1,0,0,0,0|2,1,0]=4 599 B12R1.17 CC(OCF)c1cccc(c1)F 7a_100000744526_100015361967 [0,1,0,0,0,0|2,1,0]=4 600 B12R1.17 CC(OCF)c1cccc(c1)I 34a_100013085317_100015361967 [0,1,0,0,0,0|2,1,0]=4 601 B12R1.17 CC(OCF)c1cccc(c1)I 7a_100013085317_100015361967 [0,1,0,0,0,0|2,1,0]=4 602 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [0,1,0,0,0,0|2,1,0]=4 603 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [0,1,0,0,0,0|2,1,0]=4 604 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,1,0,0,0,0|1,0,2]=4 605 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,1,0,0,0,0|1,0,2]=4 606 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,1,0,0,0,0|1,0,2]=4 607 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,1,0,0,0,0|1,0,2]=4 608 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,1,0,0,0,0|1,0,2]=4 609 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,1,0,0,0,0|1,0,2]=4 610 B12R1.17 CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210303 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.17 CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210303 [0,1,0,0,0,0|3,0,0]=4 612 B12R1.17 CCCN(C)c1cccc(c1)Br 34a_100000219648_100000210303 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.17 CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210303 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.17 CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210303 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.17 CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210303 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.17 CCCN(C)c1cccc(c1)F 2230a_100020633736_100000210303 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.17 CCCN(C)c1cccc(c1)F 269982a_100020633736_100000210303 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.17 CCCN(C)c1cccc(c1)F 34a_100020633736_100000210303 [0,1,0,0,0,0|3,0,0]=4 622 B12R1.17 CCCN(C)c1cccc(c1)I 2230a_100000221217_100000210303 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.17 CCCN(C)c1cccc(c1)I 269982a_100000221217_100000210303 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.17 CCCN(C)c1cccc(c1)I 34a_100000221217_100000210303 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.17 CN(CCF)c1cccc(c1)Br 2230a_100000219648_100011217306 [0,1,0,0,0,0|2,1,0]=4 655 B12R1.17 CN(CCF)c1cccc(c1)Br 269982a_100000219648_100011217306 [0,1,0,0,0,0|2,1,0]=4 656 B12R1.17 CN(CCF)c1cccc(c1)Br 34a_100000219648_100011217306 [0,1,0,0,0,0|2,1,0]=4 657 B12R1.17 CN(CCF)c1cccc(c1)Cl 2230a_100000220044_100011217306 [0,1,0,0,0,0|2,1,0]=4 658 B12R1.17 CN(CCF)c1cccc(c1)Cl 269982a_100000220044_100011217306 [0,1,0,0,0,0|2,1,0]=4 659 B12R1.17 CN(CCF)c1cccc(c1)Cl 34a_100000220044_100011217306 [0,1,0,0,0,0|2,1,0]=4 660 B12R1.17 CN(CCF)c1cccc(c1)F 2230a_100020633736_100011217306 [0,1,0,0,0,0|2,1,0]=4 661 B12R1.17 CN(CCF)c1cccc(c1)F 269982a_100020633736_100011217306 [0,1,0,0,0,0|2,1,0]=4 662 B12R1.17 CN(CCF)c1cccc(c1)F 34a_100020633736_100011217306 [0,1,0,0,0,0|2,1,0]=4 663 B12R1.17 CN(CCF)c1cccc(c1)I 2230a_100000221217_100011217306 [0,1,0,0,0,0|2,1,0]=4 664 B12R1.17 CN(CCF)c1cccc(c1)I 269982a_100000221217_100011217306 [0,1,0,0,0,0|2,1,0]=4 665 B12R1.17 CN(CCF)c1cccc(c1)I 34a_100000221217_100011217306 [0,1,0,0,0,0|2,1,0]=4 666 B12R1.17 CN(CCF)c1cccc(c1)O 2230a_100000756613_100011217306 [0,1,0,0,0,0|2,1,0]=4 667 B12R1.17 CN(CCF)c1cccc(c1)O 269982a_100000756613_100011217306 [0,1,0,0,0,0|2,1,0]=4 668 B12R1.17 CN(CCF)c1cccc(c1)O 34a_100000756613_100011217306 [0,1,0,0,0,0|2,1,0]=4 669 B12R1.17 CN(CCO)c1cccc(c1)Br 2230a_100000219648_100000211926 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.17 CN(CCO)c1cccc(c1)Br 269982a_100000219648_100000211926 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.17 CN(CCO)c1cccc(c1)Br 34a_100000219648_100000211926 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.17 CN(CCO)c1cccc(c1)Cl 2230a_100000220044_100000211926 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.17 CN(CCO)c1cccc(c1)Cl 269982a_100000220044_100000211926 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.17 CN(CCO)c1cccc(c1)Cl 34a_100000220044_100000211926 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.17 CN(CCO)c1cccc(c1)F 2230a_100020633736_100000211926 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.17 CN(CCO)c1cccc(c1)F 269982a_100020633736_100000211926 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.17 CN(CCO)c1cccc(c1)F 34a_100020633736_100000211926 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.17 CN(CCO)c1cccc(c1)I 2230a_100000221217_100000211926 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.17 CN(CCO)c1cccc(c1)I 269982a_100000221217_100000211926 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.17 CN(CCO)c1cccc(c1)I 34a_100000221217_100000211926 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.17 CN(CCO)c1cccc(c1)O 2230a_100000756613_100000211926 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.17 CN(CCO)c1cccc(c1)O 269982a_100000756613_100000211926 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.17 CN(CCO)c1cccc(c1)O 34a_100000756613_100000211926 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.17 CNCC(O)c1cccc(c1)O 2230a_100020657549_200000210301 [0,1,0,0,0,0|2,0,0]=3 685 B12R1.17 CNCC(O)c1cccc(c1)O 271570a_203496583355_200000733937 [0,1,0,0,0,0|2,0,0]=3 686 B12R1.17 CNCC(O)c1cccc(c1)O 34a_100020657549_200000210301 [0,1,0,0,0,0|2,0,0]=3 687 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,1,0,0,0,0|2,1,0]=4 692 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 34a_100000747380_100015361967 [0,1,0,0,0,0|2,1,0]=4 693 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 7a_100000747380_100015361967 [0,1,0,0,0,0|2,1,0]=4 694 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,1,0,0,0,0|0,1,2]=4 695 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,1,0,0,0,0|1,0,2]=4 696 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [0,1,0,0,0,0|2,1,0]=4 697 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [0,1,0,0,0,0|2,1,0]=4 698 B12R1.17 Cc1cccc(c1)N(C)CCF 2230a_100000219674_100011217306 [0,1,0,0,0,0|2,1,0]=4 699 B12R1.17 Cc1cccc(c1)N(C)CCF 269982a_100000219674_100011217306 [0,1,0,0,0,0|2,1,0]=4 700 B12R1.17 Cc1cccc(c1)N(C)CCF 34a_100000219674_100011217306 [0,1,0,0,0,0|2,1,0]=4 701 B12R1.17 Cc1cccc(c1)N(C)CCO 2230a_100000219674_100000211926 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.17 Cc1cccc(c1)N(C)CCO 269982a_100000219674_100000211926 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.17 Cc1cccc(c1)N(C)CCO 34a_100000219674_100000211926 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,1,0,0,0,0|2,1,0]=4 705 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,1,0,0,0,0|0,1,2]=4 708 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,1,0,0,0,0|0,1,2]=4 709 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,1,0,0,0,0|0,1,2]=4 710 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,1,0,0,0,0|0,1,2]=4 711 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,1,0,0,0,0|0,1,2]=4 712 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,1,0,0,0,0|1,0,2]=4 713 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,1,0,0,0,0|1,0,2]=4 714 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,1,0,0,0,0|1,0,2]=4 715 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,1,0,0,0,0|1,0,2]=4 716 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,1,0,0,0,0|1,0,2]=4 717 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 2230a_100020657549_200025704644 [0,1,0,0,0,0|2,0,0]=3 718 B12R1.17 [13CH3]NCC(O)c1cccc(c1)O 34a_100020657549_200025704644 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,1,0,0,0,0|1,0,2]=4 723 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,1,0,0,0,0|1,0,2]=4 733 B12R1.30 C=CCCN(C)c1ccccc1 2230a_100000210012_100000754431 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.30 C=CCCN(C)c1ccccc1 269982a_100000210012_100000754431 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.30 C=CCCN(C)c1ccccc1 34a_100000210012_100000754431 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,1,0,0,0,0|2,0,1]=4 737 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,1,0,0,0,0|2,0,1]=4 738 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,1,0,0,0,0|2,0,1]=4 739 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,1,0,0,0,0|2,0,1]=4 740 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000210623_100000230085 [0,1,0,0,0,0|2,0,1]=4 742 B12R1.30 C=CCSC(C)c1ccccc1 62a_100000230085_100000210623 [0,1,0,0,0,0|2,0,1]=4 743 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,1,0,0,0,0|1,1,0]=3 744 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,1,0,0,0,0|1,1,0]=3 745 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,1,0,0,0,0|1,1,0]=3 746 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [0,1,0,0,0,0|1,1,0]=3 747 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [0,1,0,0,0,0|1,1,0]=3 748 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,1,0,0,0,0|1,1,0]=3 749 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,1,0,0,0,0|1,1,0]=3 750 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,1,0,0,0,0|2,1,0]=4 751 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,1,0,0,0,0|2,1,0]=4 752 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [0,1,0,0,0,0|2,1,0]=4 753 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [0,1,0,0,0,0|2,1,0]=4 754 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [0,1,0,0,0,0|2,1,0]=4 755 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [0,1,0,0,0,0|2,1,0]=4 756 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,1,0,0,0,0|2,0,0]=3 757 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,1,0,0,0,0|2,0,0]=3 758 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,1,0,0,0,0|2,0,0]=3 759 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,1,0,0,0,0|1,1,0]=3 766 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [0,1,0,0,0,0|2,0,1]=4 769 B12R1.30 CC(SCC=O)c1ccccc1 62a_100000230085_200015260668 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.30 CC(SCC=O)c1ccccc1 62a_200015260668_100000230085 [0,1,0,0,0,0|2,0,1]=4 771 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,1,0,0,0,0|1,1,0]=3 772 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,1,0,0,0,0|1,1,0]=3 773 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,0,0,0|1,0,2]=4 776 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,1,0,0,0,0|1,0,2]=4 786 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,1,0,0,0,0|1,0,2]=4 787 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,1,0,0,0,0|1,0,2]=4 788 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,1,0,0,0,0|1,0,2]=4 789 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,0,0,0,0|2,0,0]=3 790 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,0,0,0,0|2,0,0]=3 797 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,0,0,0,0|2,0,0]=3 798 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,0,0,0,0|2,0,0]=3 799 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,0,0,0,0|2,0,0]=3 800 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,0,0,0,0|2,0,0]=3 801 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,0,0,0,0|2,0,0]=3 802 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,0,0,0,0|2,0,0]=3 803 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,0,0,0,0|2,0,0]=3 804 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,0,0,0,0|2,0,0]=3 805 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,0,0,0,0|2,0,0]=3 806 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,0,0,0,0|1,0,0]=2 807 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,0,0,0,0|1,0,0]=2 808 B12R1.30 CCNCC(O)c1ccccn1 2230a_100000691469_100000210202 [0,1,0,0,0,0|2,0,0]=3 809 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,1,0,0,0,0|2,0,0]=3 810 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,0,0,0,0|1,0,0]=2 811 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,0,0,0,0|2,0,0]=3 813 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,0,0,0,0|2,0,0]=3 814 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,0,0,0,0|1,0,0]=2 815 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|2,0,0]=3 817 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,0,0,0,0|1,0,0]=2 819 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,1,0,0,0,0|1,0,2]=4 820 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,1,0,0,0,0|1,0,2]=4 821 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,0,0,0,0|2,0,0]=3 822 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,0,0,0,0|2,0,0]=3 823 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,0,0,0,0|1,0,0]=2 824 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,0,0,0,0|1,0,0]=2 827 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,0,0,0,0|1,0,0]=2 828 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000183874_200000210301 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.30 CN(CCC#N)c1ccccc1 2230a_100000210012_100011215226 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.30 CN(CCC#N)c1ccccc1 269982a_100000210012_100011215226 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,1,0,0,0,0|2,1,0]=4 832 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,1,0,0,0,0|2,1,0]=4 833 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,1,0,0,0,0|2,1,0]=4 834 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,1,0,0,0,0|1,0,2]=4 841 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,1,0,0,0,0|1,0,2]=4 842 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,0,0,0,0|2,0,0]=3 843 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,0,0,0,0|1,0,0]=2 844 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,0,0,0,0|1,0,0]=2 847 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,0,0,0,0|1,0,0]=2 848 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,0,0,0,0|1,0,0]=2 849 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,1,0,0,0,0|1,0,2]=4 850 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,0,0,0,0|1,0,0]=2 854 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,0,0,0,0|2,0,0]=3 855 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,1,0,0,0,0|1,0,2]=4 859 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,1,0,0,0,0|1,0,2]=4 860 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,1,0,0,0,0|1,0,2]=4 861 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,1,0,0,0,0|2,0,1]=4 865 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,0,0,0,0|1,0,0]=2 866 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,0,0,0,0|1,0,0]=2 867 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,1,0,0,0,0|2,0,1]=4 872 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,1,0,0,0,0|2,0,1]=4 873 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,1,0,0,0,0|1,1,0]=3 874 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,1,0,0,0,0|2,0,1]=4 876 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,1,0,0,0,0|2,0,1]=4 877 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,1,0,0,0,0|2,0,1]=4 878 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,1,0,0,0,0|1,1,0]=3 879 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,1,0,0,0,0|1,1,0]=3 880 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,1,0,0,0,0|1,0,2]=4 883 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|1,1,0]=3 884 B12R1.30 N[C@H](COCF)c1ccncc1 34a_100138412524_100015361967 [0,1,0,0,0,0|2,1,0]=4 885 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,1,0,0,0,0|0,1,2]=4 886 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,1,0,0,0,0|1,0,2]=4 887 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,1,0,0,0,0|0,1,2]=4 888 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,1,0,0,0,0|0,1,2]=4 889 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,1,0,0,0,0|0,1,2]=4 890 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,1,0,0,0,0|0,1,2]=4 891 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,1,0,0,0,0|0,1,2]=4 892 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,1,0,0,0,0|0,1,2]=4 893 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,1,0,0,0,0|1,0,2]=4 894 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,1,0,0,0,0|1,0,2]=4 895 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,1,0,0,0,0|1,1,1]=4 896 B12R1.30 OC(CSCF)c1ccccc1 62a_100000185958_100015361967 [0,1,0,0,0,0|0,1,0]=2 897 B12R1.30 OC(CSCF)c1ccccc1 62a_100015361967_100000185958 [0,1,0,0,0,0|0,1,0]=2 898 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100011933945_100015361967 [0,1,0,0,0,0|0,1,0]=2 899 B12R1.30 O[C@H](CSCF)c1ccccc1 62a_100015361967_100011933945 [0,1,0,0,0,0|0,1,0]=2 900 B12R1.30 [13CH3]N(CCC#N)c1ccccc1 2230a_100000183874_200025704644 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,0,0,0,0|1,0,0]=2 905 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,0,0,0,0|2,0,0]=3 906 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,1,0,0,0,0|1,0,2]=4 907 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,1,0,0,0,0|1,0,2]=4 908 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,1,0,0,0,0|2,0,1]=4 909 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,0,0,0,0|1,0,0]=2 910 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,0,0,0,0|1,0,0]=2 911 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,1,0,0,0,0|2,1,0]=4 915 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|2,0,1]=4 916 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,1]=4 917 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|2,0,1]=4 918 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|1,0,1]=3 919 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|1,0,2]=4 920 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,0|2,0,1]=4 928 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,0|1,1,1]=4 930 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,0|1,1,1]=4 933 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,0|0,1,1]=3 934 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [0,1,0,0,0,0|2,1,0]=4 939 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100000034625_100015361967 [0,1,0,0,0,0|2,1,0]=4 940 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100015361967_100000034625 [0,1,0,0,0,0|2,1,0]=4 941 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.39 CCSC(F)(F)c1ccccc1 62a_100000210202_100000036403 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [0,1,0,0,0,0|2,0,0]=3 950 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100000717977_200000210301 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.39 CNCC(F)(F)c1ccccc1 34a_100102657272_100009875531 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.39 COCC(F)(F)c1ccccc1 34a_100138415774_100009875531 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.39 CSCC(F)(F)c1ccccc1 62a_100009875531_200000210301 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.39 CSCC(F)(F)c1ccccc1 62a_200000210301_100009875531 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.39 FCSC(F)(F)c1ccccc1 62a_100015361967_100000036403 [0,1,0,0,0,0|2,1,0]=4 959 B12R1.39 [13CH3]NCC(F)(F)c1ccccc1 34a_100000717977_200025704644 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_100009875531_200025704644 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.39 [13CH3]SCC(F)(F)c1ccccc1 62a_200025704644_100009875531 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,0|2,0,1]=4 963 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,0|2,0,1]=4 964 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,0|1,0,1]=3 965 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,0|1,0,1]=3 966 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,0|1,0,1]=3 967 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,1,0,0,0,0|1,0,2]=4 968 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,0|2,0,1]=4 984 B12R1.107 CC(CN(C)C)c1ccccc1 2230a_100102631434_100000756946 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.107 CC(CN(C)C)c1ccccc1 269982a_100102631434_100000756946 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.107 CC(CN(C)C)c1ccccc1 270004a_100102631434_100000212034 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,0|1,0,2]=4 988 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100000227976_200000210301 [0,1,0,0,0,0|2,0,0]=3 992 B12R1.107 CN(C)CC(O)c1ccccc1 2230a_100102631434_100000185958 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.107 CN(C)CC(O)c1ccccc1 269982a_100000227976_200000210301 [0,1,0,0,0,0|2,0,0]=3 994 B12R1.107 CN(C)C[C@@H](O)c1ccccc1 2230a_100102631434_100011933945 [0,1,0,0,0,0|2,0,0]=3 995 B12R1.107 CN(CC(F)F)c1ccccc1 2230a_100000210012_100011934356 [0,1,0,0,0,0|2,1,0]=4 996 B12R1.107 CN(CC(F)F)c1ccccc1 269982a_100000210012_100011934356 [0,1,0,0,0,0|2,1,0]=4 997 B12R1.107 CN(CC(F)F)c1ccccc1 34a_100000210012_100011934356 [0,1,0,0,0,0|2,1,0]=4 998 B12R1.107 CN([13CH3])CC(O)c1ccccc1 2230a_100000227976_200025704644 [0,1,0,0,0,0|2,0,0]=3 999 B12R1.107 CN([13CH3])CC(O)c1ccccc1 269982a_100000227976_200025704644 [0,1,0,0,0,0|2,0,0]=3 1000 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,1,0,0,0,0|0,1,2]=4 1004 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,0|1,0,1]=3 1005 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,1,0,0,0,0|2,1,0]=4 1006 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,1,0,0,0,0|2,1,0]=4 1007 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [0,1,0,0,0,0|2,1,0]=4 1008 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [0,1,0,0,0,0|2,1,0]=4 1009 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,1,0,0,0,0|2,1,0]=4 1010 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,1,0,0,0,0|2,1,0]=4 1011 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [0,1,0,0,0,0|2,1,0]=4 1012 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [0,1,0,0,0,0|2,1,0]=4 1013 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [0,1,0,0,0,0|2,1,0]=4 1014 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100000181259_100015361967 [0,1,0,0,0,0|2,1,0]=4 1015 B12R1.308 CC(SCF)c1ccccc1Cl 62a_100015361967_100000181259 [0,1,0,0,0,0|2,1,0]=4 1016 B12R1.308 CC(SCF)c1ccccc1F 62a_100015361967_200000741388 [0,1,0,0,0,0|2,1,0]=4 1017 B12R1.308 CC(SCF)c1ccccc1F 62a_200000741388_100015361967 [0,1,0,0,0,0|2,1,0]=4 1018 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,1,0,0,0,0|1,0,2]=4 1019 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,1,0,0,0,0|1,0,2]=4 1020 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,1,0,0,0,0|1,0,2]=4 1021 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,1,0,0,0,0|1,0,2]=4 1022 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,1,0,0,0,0|1,0,2]=4 1023 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,1,0,0,0,0|1,0,2]=4 1024 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,1,0,0,0,0|1,0,2]=4 1025 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [0,1,0,0,0,0|3,0,0]=4 1027 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [0,1,0,0,0,0|3,0,0]=4 1028 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,1,0,0,0,0|3,0,0]=4 1046 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,1,0,0,0,0|3,0,0]=4 1047 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,1,0,0,0,0|3,0,0]=4 1048 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,1,0,0,0,0|3,0,0]=4 1055 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,1,0,0,0,0|3,0,0]=4 1065 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,1,0,0,0,0|3,0,0]=4 1071 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,1,0,0,0,0|3,0,0]=4 1074 B12R1.308 CN(CCF)c1ccccc1Br 2230a_100020606079_100011217306 [0,1,0,0,0,0|2,1,0]=4 1075 B12R1.308 CN(CCF)c1ccccc1Br 269982a_100020606079_100011217306 [0,1,0,0,0,0|2,1,0]=4 1076 B12R1.308 CN(CCF)c1ccccc1Br 34a_100020606079_100011217306 [0,1,0,0,0,0|2,1,0]=4 1077 B12R1.308 CN(CCF)c1ccccc1Cl 2230a_100000219374_100011217306 [0,1,0,0,0,0|2,1,0]=4 1078 B12R1.308 CN(CCF)c1ccccc1Cl 269982a_100000219374_100011217306 [0,1,0,0,0,0|2,1,0]=4 1079 B12R1.308 CN(CCF)c1ccccc1Cl 34a_100000219374_100011217306 [0,1,0,0,0,0|2,1,0]=4 1080 B12R1.308 CN(CCF)c1ccccc1F 2230a_100000220357_100011217306 [0,1,0,0,0,0|2,1,0]=4 1081 B12R1.308 CN(CCF)c1ccccc1F 269982a_100000220357_100011217306 [0,1,0,0,0,0|2,1,0]=4 1082 B12R1.308 CN(CCF)c1ccccc1F 34a_100000220357_100011217306 [0,1,0,0,0,0|2,1,0]=4 1083 B12R1.308 CN(CCF)c1ccccc1F 38a_100000220357_100011217306 [0,1,0,0,0,0|2,1,0]=4 1084 B12R1.308 CN(CCF)c1ccccc1O 269982a_100000033821_100011217306 [0,1,0,0,0,0|2,1,0]=4 1085 B12R1.308 CN(CCO)c1ccccc1Br 2230a_100020606079_100000211926 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.308 CN(CCO)c1ccccc1Br 269982a_100020606079_100000211926 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.308 CN(CCO)c1ccccc1Br 34a_100020606079_100000211926 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.308 CN(CCO)c1ccccc1Cl 2230a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.308 CN(CCO)c1ccccc1Cl 269982a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.308 CN(CCO)c1ccccc1Cl 34a_100000219374_100000211926 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.308 CN(CCO)c1ccccc1F 2230a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.308 CN(CCO)c1ccccc1F 269982a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.308 CN(CCO)c1ccccc1F 34a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.308 CN(CCO)c1ccccc1F 38a_100000220357_100000211926 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.308 CN(CCO)c1ccccc1O 269982a_100000033821_100000211926 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.308 CNCC(O)c1ccccc1Br 2230a_100011236429_200000210301 [0,1,0,0,0,0|2,0,0]=3 1097 B12R1.308 CNCC(O)c1ccccc1Cl 2230a_200000759403_200000210301 [0,1,0,0,0,0|2,0,0]=3 1098 B12R1.308 CNCC(O)c1ccccc1Cl 34a_200000759403_200000210301 [0,1,0,0,0,0|2,0,0]=3 1099 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,1,0,0,0,0|3,0,0]=4 1101 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,1,0,0,0,0|0,1,2]=4 1103 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,1,0,0,0,0|1,0,2]=4 1104 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,1,0,0,0,0|2,1,0]=4 1105 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [0,1,0,0,0,0|2,1,0]=4 1106 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [0,1,0,0,0,0|2,1,0]=4 1107 B12R1.308 Cc1ccccc1N(C)CCF 2230a_100000219699_100011217306 [0,1,0,0,0,0|2,1,0]=4 1108 B12R1.308 Cc1ccccc1N(C)CCF 269982a_100000219699_100011217306 [0,1,0,0,0,0|2,1,0]=4 1109 B12R1.308 Cc1ccccc1N(C)CCF 34a_100000219699_100011217306 [0,1,0,0,0,0|2,1,0]=4 1110 B12R1.308 Cc1ccccc1N(C)CCO 2230a_100000219699_100000211926 [0,1,0,0,0,0|3,0,0]=4 1111 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100000219699_100000211926 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.308 Cc1ccccc1N(C)CCO 269982a_100011233185_200000210301 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.308 Cc1ccccc1N(C)CCO 34a_100000219699_100000211926 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.308 Cc1ccccc1N(C)CCO 34a_100011233185_200000210301 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.308 Cc1ccccc1N([13CH3])CCO 269982a_100011233185_200025704644 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.308 Cc1ccccc1N([13CH3])CCO 34a_100011233185_200025704644 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,1,0,0,0,0|0,1,2]=4 1118 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,1,0,0,0,0|0,1,2]=4 1119 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,1,0,0,0,0|0,1,2]=4 1120 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,1,0,0,0,0|0,1,2]=4 1121 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,1,0,0,0,0|0,1,2]=4 1122 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,1,0,0,0,0|0,1,2]=4 1123 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,1,0,0,0,0|1,0,2]=4 1124 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,1,0,0,0,0|1,0,2]=4 1125 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,1,0,0,0,0|1,0,2]=4 1126 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,1,0,0,0,0|1,0,2]=4 1127 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,1,0,0,0,0|1,0,2]=4 1128 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,1,0,0,0,0|1,0,2]=4 1129 B12R1.308 [13CH3]NCC(O)c1ccccc1Br 2230a_100011236429_200025704644 [0,1,0,0,0,0|2,0,0]=3 1130 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 2230a_200000759403_200025704644 [0,1,0,0,0,0|2,0,0]=3 1131 B12R1.308 [13CH3]NCC(O)c1ccccc1Cl 34a_200000759403_200025704644 [0,1,0,0,0,0|2,0,0]=3 1132 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,1,0,0,0,0|3,0,0]=4 1135 B10R0.19 C=CC=CC(=O)C(C)CCC 1458a_100016291481_100000766640 [0,0,1,0,0,0|3,0,0]=4 1136 B10R0.19 C=CC=CC(=O)C(C)CCO 1458a_100016291481_100009893172 [0,0,1,0,0,0|3,0,0]=4 1137 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,0|2,0,1]=4 1138 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,0,0,1,0,0|2,0,1]=4 1139 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,0|3,0,0]=4 1140 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,0|3,0,0]=4 1141 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,0|3,0,0]=4 1142 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,0|3,0,0]=4 1143 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,1,0,0|3,0,0]=4 1144 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,1,0,0|3,0,0]=4 1145 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [0,0,0,1,0,0|3,0,0]=4 1146 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [0,0,0,1,0,0|3,0,0]=4 1147 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [0,0,0,1,0,0|2,1,0]=4 1148 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [0,0,0,1,0,0|2,1,0]=4 1149 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [0,0,0,1,0,0|3,0,0]=4 1150 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [0,0,0,1,0,0|3,0,0]=4 1151 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,0,0,1,0,0|2,0,1]=4 1152 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [0,0,0,1,0,0|3,0,0]=4 1153 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [0,0,0,1,0,0|3,0,0]=4 1154 B10R1.11 CNCC(O)c1ccco1 2230a_100000738650_200000210301 [0,0,0,0,1,0|3,0,0]=4 1155 B10R1.11 CNCC(O)c1ccsc1 2230a_100000758718_200000210301 [0,0,0,0,1,0|3,0,0]=4 1156 B10R1.11 CNCC(O)c1ccsc1 34a_100000758718_200000210301 [0,0,0,0,1,0|3,0,0]=4 1157 B10R1.11 [13CH3]NCC(O)c1ccco1 2230a_100000738650_200025704644 [0,0,0,0,1,0|3,0,0]=4 1158 B10R1.11 [13CH3]NCC(O)c1ccsc1 2230a_100000758718_200025704644 [0,0,0,0,1,0|3,0,0]=4 1159 B10R1.11 [13CH3]NCC(O)c1ccsc1 34a_100000758718_200025704644 [0,0,0,0,1,0|3,0,0]=4 1160 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,0,0,0,0,1|2,0,1]=4 1161 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,0,0,0,0,1|2,0,1]=4 1162 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,0,0,0,0,1|2,0,1]=4 1163 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,0,0,0,0,1|2,0,0]=3 1164 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,0,0,0,0,1|2,0,0]=3 1165 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,0,0,0,0,1|2,0,0]=3 1166 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,0,0,0,0,1|3,0,0]=4 1167 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,0,0,0,0,1|3,0,0]=4 1168 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [0,0,0,0,0,1|3,0,0]=4 1169 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,0,0,0,0,1|2,0,0]=3 1170 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,0,0,0,0,1|2,0,0]=3 1171 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,0,0,0,0,1|3,0,0]=4 1172 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,0,0,0,0,1|3,0,0]=4 1173 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,0,0,0,0,1|3,0,0]=4 1174 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,0,0,0,0,1|3,0,0]=4 1175 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [0,0,0,0,0,1|3,0,0]=4 1176 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [0,0,0,0,0,1|3,0,0]=4 1177 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,0,0,0,0,1|3,0,0]=4 1178 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,0,0,0,0,1|3,0,0]=4 1179 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,0,0,0,0,1|3,0,0]=4 1180 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,0,0,0,0,1|3,0,0]=4 1181 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,0,0,0,0,1|3,0,0]=4 1182 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,0,0,0,0,1|3,0,0]=4 1183 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,0,0,0,0,1|2,1,0]=4 1184 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,0,0,0,0,1|2,1,0]=4 1185 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,0,0,0,0,1|2,1,0]=4 1186 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,0,0,0,0,1|2,1,0]=4 1187 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,0,0,0,0,1|1,0,2]=4 1188 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,0,0,0,0,1|1,0,2]=4 1189 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,0,0,0,0,1|1,0,2]=4 1190 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,0,0,0,0,1|1,0,2]=4 1191 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,0,0,0,0,1|1,0,2]=4 1192 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,0,0,0,0,1|2,0,0]=3 1193 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,0,0,0,0,1|2,0,0]=3 1194 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,0,0,0,0,1|2,0,0]=3 1195 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,0,0,0,0,1|3,0,0]=4 1196 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,0,0,0,0,1|3,0,0]=4 1197 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,0,0,0,0,1|3,0,0]=4 1198 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,0,0,0,0,1|2,0,0]=3 1199 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,0,0,0,0,1|2,0,0]=3 1200 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,0,0,0,0,1|3,0,0]=4 1201 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,0,0,0,0,1|3,0,0]=4 1202 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,0,0,0,0,1|3,0,0]=4 1203 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,0,0,0,0,1|3,0,0]=4 1204 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [0,0,0,0,0,1|3,0,0]=4 1205 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [0,0,0,0,0,1|3,0,0]=4 1206 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,0,0,0,0,1|3,0,0]=4 1207 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,0,0,0,0,1|3,0,0]=4 1208 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,0,0,0,0,1|3,0,0]=4 1209 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,0,0,0,0,1|3,0,0]=4 1210 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,0,0,0,0,1|3,0,0]=4 1211 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,0,0,0,0,1|3,0,0]=4 1212 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,0,0,0,0,1|3,0,0]=4 1213 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,0,0,0,0,1|3,0,0]=4 1214 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,0,0,0,0,1|3,0,0]=4 1215 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,0,0,0,0,1|3,0,0]=4 1216 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,0,0,0,0,1|3,0,0]=4 1217 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,0,0,0,0,1|3,0,0]=4 1218 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,0,0,0,0,1|3,0,0]=4 1219 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,0,0,0,0,1|3,0,0]=4 1220 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,0,0,0,0,1|2,1,0]=4 1221 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,0,0,0,0,1|2,1,0]=4 1222 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,0,0,0,0,1|3,0,0]=4 1223 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,0,0,0,0,1|3,0,0]=4 1224 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,0,0,0,0,1|3,0,0]=4 1225 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,0,0,0,0,1|3,0,0]=4 1226 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,0,0,0,0,1|3,0,0]=4 1227 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,0,0,0,0,1|3,0,0]=4 1228 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,0,0,0,0,1|3,0,0]=4 1229 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,0,0,0,0,1|3,0,0]=4 1230 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,0,0,0,0,1|3,0,0]=4 1231 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,0,0,0,0,1|2,0,0]=3 1232 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,0,0,0,0,1|2,0,0]=3 1233 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,0,0,0,0,1|2,0,0]=3 1234 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,0,0,0,0,1|2,0,0]=3 1235 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,0,0,0,0,1|3,0,0]=4 1236 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,0,0,0,0,1|3,0,0]=4 1237 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,0,0,0,0,1|3,0,0]=4 1238 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,0,0,0,0,1|3,0,0]=4 1239 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,0,0,0,0,1|3,0,0]=4 1240 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,0,0,0,0,1|3,0,0]=4 1241 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,0,0,0,0,1|3,0,0]=4 1242 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,0,0,0,0,1|3,0,0]=4 1243 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,0,0,0,0,1|3,0,0]=4 1244 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,0,0,0,0,1|3,0,0]=4 1245 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,0,0,0,0,1|2,0,0]=3 1246 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,0,0,0,0,1|2,0,0]=3 1247 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,0,0,0,0,1|2,0,0]=3 1248 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,0,0,0,0,1|1,0,2]=4 1249 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,0,0,0,0,1|1,0,2]=4 1250 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,0,0,0,0,1|3,0,0]=4 1251 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,0,0,0,0,1|3,0,0]=4 1252 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,0,0,0,0,1|2,0,0]=3 1253 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,0,0,0,0,1|2,0,0]=3 1255 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,0,0,0,0,1|2,0,0]=3 1256 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [1,0,1,0,0,0|2,0,0]=4 1257 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|2,0,0]=4 1258 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,0,1,0,0,0|1,1,0]=4 1259 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,1,0,0,0|2,0,0]=4 1260 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|1,0,1]=4 1261 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,2]=4 1262 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1263 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1264 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1265 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1266 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1267 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1268 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,2]=4 1269 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 1270 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 1271 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 1272 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 1273 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 1274 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 1275 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 1276 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 1277 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 1278 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 1279 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 1280 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 1281 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 1282 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 1283 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 1284 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 1285 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 1286 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 1287 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 1288 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 1289 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 1290 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 1291 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 1292 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 1293 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 1294 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 1295 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 1296 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 1297 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 1298 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 1299 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 1300 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 1301 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 1302 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 1303 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 1304 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 1305 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 1306 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 1307 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 1308 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 1309 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 1310 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 1311 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 1312 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 1313 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 1314 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 1315 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 1316 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 1317 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|1,1,0]=4 1318 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|1,1,0]=4 1319 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|1,1,0]=4 1320 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|1,1,0]=4 1321 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|1,1,0]=4 1322 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 1323 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 1324 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 1325 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 1326 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 1327 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 1328 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 1329 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 1330 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 1331 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 1332 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 1333 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 1334 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1335 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [1,1,0,0,0,0|2,0,0]=4 1337 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [1,1,0,0,0,0|2,0,0]=4 1338 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1339 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [1,1,0,0,0,0|2,0,0]=4 1340 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [1,1,0,0,0,0|2,0,0]=4 1341 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1342 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [1,1,0,0,0,0|2,0,0]=4 1343 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [1,1,0,0,0,0|2,0,0]=4 1344 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [1,1,0,0,0,0|2,0,0]=4 1345 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [1,1,0,0,0,0|2,0,0]=4 1346 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,1,0,0,0,0|0,0,2]=4 1347 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,1,0,0,0,0|0,0,2]=4 1348 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,1,0,0,0,0|0,0,2]=4 1349 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,1,0,0,0,0|0,0,2]=4 1350 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [1,1,0,0,0,0|2,0,0]=4 1351 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,1,0,0,0,0|0,0,2]=4 1352 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,1,0,0,0,0|0,0,2]=4 1353 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,1,0,0,0,0|0,0,2]=4 1354 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,1,0,0,0,0|0,0,2]=4 1355 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [1,1,0,0,0,0|2,0,0]=4 1357 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [1,1,0,0,0,0|2,0,0]=4 1358 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [1,1,0,0,0,0|2,0,0]=4 1359 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,1,0,0,0,0|1,0,0]=3 1360 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,1,0,0,0,0|1,0,0]=3 1361 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [1,1,0,0,0,0|2,0,0]=4 1362 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [1,1,0,0,0,0|2,0,0]=4 1363 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [1,1,0,0,0,0|2,0,0]=4 1364 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [1,1,0,0,0,0|2,0,0]=4 1365 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [1,1,0,0,0,0|2,0,0]=4 1366 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,1,0,0,0,0|1,0,0]=3 1367 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [1,1,0,0,0,0|2,0,0]=4 1369 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,1,0,0,0,0|0,0,0]=2 1370 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,1,0,0,0,0|0,0,0]=2 1371 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,1,0,0,0,0|0,0,0]=2 1372 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,1,0,0,0,0|0,0,0]=2 1373 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [1,1,0,0,0,0|2,0,0]=4 1374 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [1,1,0,0,0,0|2,0,0]=4 1375 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [1,1,0,0,0,0|2,0,0]=4 1376 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [1,1,0,0,0,0|2,0,0]=4 1377 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [1,1,0,0,0,0|2,0,0]=4 1378 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [1,1,0,0,0,0|2,0,0]=4 1379 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 1380 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 1381 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 1382 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,1,0,0,0,0|1,0,1]=4 1383 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,1,0,0,0,0|0,1,0]=3 1384 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,1,0,0,0,0|1,0,0]=3 1385 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,1,0,0,0,0|0,0,0]=2 1386 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,1,0,0,0,0|0,0,0]=2 1387 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 1389 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 1390 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 1391 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,1,0,0,0,0|1,0,1]=4 1392 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,1,0,0,0,0|0,1,0]=3 1393 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,1,0,0,0,0|1,0,0]=3 1394 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,1,0,0,0,0|0,0,0]=2 1395 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,1,0,0,0,0|0,0,0]=2 1396 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|2,0,0]=4 1397 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|2,0,0]=4 1398 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|2,0,0]=4 1399 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|2,0,0]=4 1400 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|2,0,0]=4 1401 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [1,1,0,0,0,0|2,0,0]=4 1403 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [1,1,0,0,0,0|2,0,0]=4 1404 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [1,1,0,0,0,0|2,0,0]=4 1405 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [1,1,0,0,0,0|2,0,0]=4 1406 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [1,1,0,0,0,0|2,0,0]=4 1407 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|0,0,2]=4 1408 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|0,0,2]=4 1409 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|0,0,2]=4 1410 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|0,0,2]=4 1411 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|0,0,2]=4 1412 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|0,0,2]=4 1413 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|0,0,2]=4 1414 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|1,0,0]=3 1415 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|0,0,0]=2 1416 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 1417 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1418 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|2,0,0]=4 1419 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1420 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 1421 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1422 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 1423 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1424 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|2,0,0]=4 1425 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1426 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 1427 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1428 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 1429 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 1430 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 1431 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|2,0,0]=4 1432 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 1433 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 1434 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1435 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1436 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|2,0,0]=4 1437 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1438 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|2,0,0]=4 1442 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 1443 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1444 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|2,0,0]=4 1445 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1446 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1448 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1449 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1454 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1460 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,0]=3 1464 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [1,1,0,0,0,0|2,0,0]=4 1469 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [1,1,0,0,0,0|2,0,0]=4 1470 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [1,1,0,0,0,0|2,0,0]=4 1473 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [1,1,0,0,0,0|2,0,0]=4 1478 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [1,1,0,0,0,0|2,0,0]=4 1479 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [1,1,0,0,0,0|2,0,0]=4 1480 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [1,1,0,0,0,0|2,0,0]=4 1483 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [1,1,0,0,0,0|2,0,0]=4 1484 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [1,1,0,0,0,0|2,0,0]=4 1485 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [1,1,0,0,0,0|2,0,0]=4 1486 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [1,1,0,0,0,0|2,0,0]=4 1487 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [1,1,0,0,0,0|2,0,0]=4 1489 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|2,0,0]=4 1490 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|2,0,0]=4 1491 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|2,0,0]=4 1492 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|2,0,0]=4 1493 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|2,0,0]=4 1494 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|2,0,0]=4 1495 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|2,0,0]=4 1496 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 1499 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|2,0,0]=4 1500 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [1,1,0,0,0,0|2,0,0]=4 1505 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [1,1,0,0,0,0|2,0,0]=4 1506 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [1,1,0,0,0,0|2,0,0]=4 1507 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [1,1,0,0,0,0|2,0,0]=4 1508 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [1,1,0,0,0,0|2,0,0]=4 1509 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [1,1,0,0,0,0|2,0,0]=4 1510 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [1,1,0,0,0,0|2,0,0]=4 1511 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 1512 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [1,1,0,0,0,0|2,0,0]=4 1514 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [1,1,0,0,0,0|2,0,0]=4 1515 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [1,1,0,0,0,0|2,0,0]=4 1516 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [1,1,0,0,0,0|2,0,0]=4 1517 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [1,1,0,0,0,0|2,0,0]=4 1520 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [1,1,0,0,0,0|2,0,0]=4 1521 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [1,1,0,0,0,0|2,0,0]=4 1522 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [1,1,0,0,0,0|2,0,0]=4 1523 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|2,0,0]=4 1524 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|2,0,0]=4 1525 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|2,0,0]=4 1526 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,0]=3 1527 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|1,0,0]=3 1528 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1529 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|2,0,0]=4 1530 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1531 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|2,0,0]=4 1532 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [1,1,0,0,0,0|2,0,0]=4 1533 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [1,1,0,0,0,0|2,0,0]=4 1534 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [1,1,0,0,0,0|2,0,0]=4 1535 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [1,1,0,0,0,0|2,0,0]=4 1536 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [1,1,0,0,0,0|2,0,0]=4 1537 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [1,1,0,0,0,0|2,0,0]=4 1538 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [1,1,0,0,0,0|2,0,0]=4 1539 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [1,1,0,0,0,0|2,0,0]=4 1540 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1543 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,1,0,0,0,0|2,0,0]=4 1544 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|0,0,2]=4 1545 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|0,0,2]=4 1546 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|0,0,2]=4 1547 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|0,0,2]=4 1548 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|0,0,2]=4 1549 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|0,0,2]=4 1550 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|0,0,2]=4 1551 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|0,0,0]=2 1552 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 1553 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1554 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [1,1,0,0,0,0|2,0,0]=4 1555 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1556 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1558 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1559 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1561 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [1,1,0,0,0,0|2,0,0]=4 1562 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1563 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 1564 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1565 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 1566 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [1,1,0,0,0,0|2,0,0]=4 1567 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 1568 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [1,1,0,0,0,0|2,0,0]=4 1570 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 1571 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1589 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1590 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,1,0,0,0,0|1,0,0]=3 1591 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [1,1,0,0,0,0|2,0,0]=4 1592 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1612 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [1,1,0,0,0,0|2,0,0]=4 1613 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [1,1,0,0,0,0|2,0,0]=4 1614 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1615 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,1,0,0,0,0|2,0,0]=4 1616 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1617 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1618 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [1,1,0,0,0,0|2,0,0]=4 1619 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [1,1,0,0,0,0|2,0,0]=4 1620 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1621 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1622 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1623 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [1,1,0,0,0,0|2,0,0]=4 1626 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,1,0,0,0,0|2,0,0]=4 1627 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|1,0,1]=4 1628 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,1]=4 1629 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|1,0,1]=4 1630 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|0,0,1]=3 1631 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|0,0,2]=4 1632 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1633 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1634 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1641 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1642 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1643 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 1644 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 1645 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 1647 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 1648 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 1649 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|1,0,1]=4 1650 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,1]=4 1651 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|0,0,1]=3 1652 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1653 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [1,1,0,0,0,0|2,0,0]=4 1654 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [1,1,0,0,0,0|2,0,0]=4 1655 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [1,1,0,0,0,0|2,0,0]=4 1657 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|2,0,0]=4 1658 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|2,0,0]=4 1659 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|2,0,0]=4 1660 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|2,0,0]=4 1661 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|2,0,0]=4 1662 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|2,0,0]=4 1663 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|2,0,0]=4 1664 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1665 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [1,1,0,0,0,0|2,0,0]=4 1666 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [1,1,0,0,0,0|2,0,0]=4 1667 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [1,1,0,0,0,0|2,0,0]=4 1668 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|0,0,2]=4 1669 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|0,0,2]=4 1670 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|0,0,2]=4 1671 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|0,0,2]=4 1672 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|0,0,2]=4 1673 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|0,0,2]=4 1674 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|0,0,2]=4 1675 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1676 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1677 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|2,0,0]=4 1678 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1680 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1682 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1684 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|2,0,0]=4 1689 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1690 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1691 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1692 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1693 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1694 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1708 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1709 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1710 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [1,1,0,0,0,0|2,0,0]=4 1711 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 1712 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|2,0,0]=4 1713 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 1714 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [1,1,0,0,0,0|2,0,0]=4 1715 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [1,1,0,0,0,0|2,0,0]=4 1722 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [1,1,0,0,0,0|2,0,0]=4 1723 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [1,1,0,0,0,0|2,0,0]=4 1724 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [1,1,0,0,0,0|2,0,0]=4 1725 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|2,0,0]=4 1727 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|2,0,0]=4 1730 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|2,0,0]=4 1736 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [1,1,0,0,0,0|2,0,0]=4 1740 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [1,1,0,0,0,0|2,0,0]=4 1741 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [1,1,0,0,0,0|2,0,0]=4 1742 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|1,0,0]=3 1748 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [1,1,0,0,0,0|2,0,0]=4 1749 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|2,0,0]=4 1750 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,0]=3 1752 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,0]=3 1754 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,0]=3 1755 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,0]=3 1756 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,0]=3 1757 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,0]=3 1758 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|2,0,0]=4 1762 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|2,0,0]=4 1764 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|2,0,0]=4 1765 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|2,0,0]=4 1766 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|2,0,0]=4 1768 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|2,0,0]=4 1769 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 1770 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 1771 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|2,0,0]=4 1772 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 1773 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 1774 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|2,0,0]=4 1775 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 1776 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 1777 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 1780 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 1783 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|2,0,0]=4 1784 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 1785 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 1786 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|2,0,0]=4 1788 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|2,0,0]=4 1789 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|2,0,0]=4 1790 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|2,0,0]=4 1795 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|2,0,0]=4 1798 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|2,0,0]=4 1799 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|2,0,0]=4 1800 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 1801 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 1810 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 1811 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 1829 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 1834 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 1835 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|2,0,0]=4 1836 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 1837 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 1838 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|2,0,0]=4 1839 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|2,0,0]=4 1842 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|2,0,0]=4 1843 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|2,0,0]=4 1844 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|2,0,0]=4 1845 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|2,0,0]=4 1848 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 1853 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|2,0,0]=4 1854 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 1855 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|2,0,0]=4 1856 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|2,0,0]=4 1860 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|2,0,0]=4 1861 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|2,0,0]=4 1862 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|2,0,0]=4 1864 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|2,0,0]=4 1865 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|2,0,0]=4 1866 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|2,0,0]=4 1867 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|2,0,0]=4 1874 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1875 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|2,0,0]=4 1876 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|2,0,0]=4 1880 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|2,0,0]=4 1881 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|2,0,0]=4 1883 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|2,0,0]=4 1884 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|2,0,0]=4 1885 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|2,0,0]=4 1886 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|2,0,0]=4 1887 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|2,0,0]=4 1888 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|2,0,0]=4 1889 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|2,0,0]=4 1891 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|2,0,0]=4 1898 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|2,0,0]=4 1899 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1901 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|2,0,0]=4 1902 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|2,0,0]=4 1903 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|2,0,0]=4 1904 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|2,0,0]=4 1905 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1907 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|2,0,0]=4 1908 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [1,1,0,0,0,0|1,1,0]=4 1909 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|1,1,0]=4 1910 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|1,1,0]=4 1911 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [1,1,0,0,0,0|1,1,0]=4 1912 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [1,1,0,0,0,0|1,1,0]=4 1913 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [1,1,0,0,0,0|1,1,0]=4 1914 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|2,0,0]=4 1915 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|1,1,0]=4 1916 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|1,1,0]=4 1917 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|2,0,0]=4 1918 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|2,0,0]=4 1919 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [1,1,0,0,0,0|1,1,0]=4 1920 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [1,1,0,0,0,0|1,1,0]=4 1921 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|2,0,0]=4 1922 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|2,0,0]=4 1923 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [1,1,0,0,0,0|1,1,0]=4 1924 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [1,1,0,0,0,0|1,1,0]=4 1925 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [1,1,0,0,0,0|1,1,0]=4 1926 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [1,1,0,0,0,0|1,1,0]=4 1927 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [1,1,0,0,0,0|1,1,0]=4 1928 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [1,1,0,0,0,0|1,1,0]=4 1929 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [1,1,0,0,0,0|1,1,0]=4 1930 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [1,1,0,0,0,0|1,1,0]=4 1931 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [1,1,0,0,0,0|1,1,0]=4 1932 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [1,1,0,0,0,0|1,1,0]=4 1933 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [1,1,0,0,0,0|1,1,0]=4 1934 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [1,1,0,0,0,0|1,1,0]=4 1935 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [1,1,0,0,0,0|1,1,0]=4 1936 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [1,1,0,0,0,0|1,1,0]=4 1937 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [1,1,0,0,0,0|1,1,0]=4 1938 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [1,1,0,0,0,0|1,1,0]=4 1939 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [1,1,0,0,0,0|1,1,0]=4 1940 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [1,1,0,0,0,0|1,1,0]=4 1941 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [1,1,0,0,0,0|1,1,0]=4 1942 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [1,1,0,0,0,0|1,1,0]=4 1943 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [1,1,0,0,0,0|1,1,0]=4 1944 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [1,1,0,0,0,0|1,1,0]=4 1945 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [1,1,0,0,0,0|1,1,0]=4 1946 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [1,1,0,0,0,0|1,1,0]=4 1947 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [1,1,0,0,0,0|1,1,0]=4 1948 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [1,1,0,0,0,0|1,1,0]=4 1949 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [1,1,0,0,0,0|1,1,0]=4 1950 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [1,1,0,0,0,0|1,1,0]=4 1951 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [1,1,0,0,0,0|1,1,0]=4 1952 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [1,1,0,0,0,0|1,1,0]=4 1953 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [1,1,0,0,0,0|1,1,0]=4 1954 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [1,1,0,0,0,0|1,1,0]=4 1955 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [1,1,0,0,0,0|1,1,0]=4 1956 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [1,1,0,0,0,0|1,1,0]=4 1957 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [1,1,0,0,0,0|1,1,0]=4 1958 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [1,1,0,0,0,0|1,1,0]=4 1959 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [1,1,0,0,0,0|1,1,0]=4 1960 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [1,1,0,0,0,0|1,1,0]=4 1961 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|1,0,1]=4 1962 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|1,0,0]=3 1963 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [1,1,0,0,0,0|1,1,0]=4 1966 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|1,1,0]=4 1967 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [1,1,0,0,0,0|1,1,0]=4 1969 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [1,1,0,0,0,0|1,1,0]=4 1970 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|1,0,1]=4 1973 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|1,0,0]=3 1974 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [1,1,0,0,0,0|2,0,0]=4 1987 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,1,0]=4 1997 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|1,1,0]=4 1998 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|1,1,0]=4 1999 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|1,1,0]=4 2000 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 2002 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|1,0,0]=3 2030 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,0]=3 2031 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|1,0,0]=3 2032 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|1,0,0]=3 2033 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|1,0,0]=3 2034 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,0]=3 2035 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [1,1,0,0,0,0|2,0,0]=4 2049 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|2,0,0]=4 2091 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 2092 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 2093 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2094 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|2,0,0]=4 2095 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|2,0,0]=4 2100 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 2109 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|2,0,0]=4 2110 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2113 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2116 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|2,0,0]=4 2131 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|2,0,0]=4 2132 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|2,0,0]=4 2133 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 2145 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2146 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|2,0,0]=4 2147 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 2148 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|2,0,0]=4 2150 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|2,0,0]=4 2151 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|2,0,0]=4 2152 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|2,0,0]=4 2153 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|2,0,0]=4 2156 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|2,0,0]=4 2158 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|2,0,0]=4 2159 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|2,0,0]=4 2160 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|2,0,0]=4 2161 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|2,0,0]=4 2162 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 2163 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|2,0,0]=4 2164 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 2165 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2166 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|2,0,0]=4 2167 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2168 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 2169 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|2,0,0]=4 2170 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 2172 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|2,0,0]=4 2173 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 2174 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 2175 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 2176 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|2,0,0]=4 2177 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|2,0,0]=4 2178 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|2,0,0]=4 2179 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|2,0,0]=4 2180 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|2,0,0]=4 2181 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|2,0,0]=4 2182 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2183 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|2,0,0]=4 2184 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2185 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|2,0,0]=4 2186 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|2,0,0]=4 2187 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|2,0,0]=4 2188 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2189 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2190 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [1,1,0,0,0,0|1,1,0]=4 2195 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [1,1,0,0,0,0|1,1,0]=4 2196 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [1,1,0,0,0,0|1,1,0]=4 2197 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [1,1,0,0,0,0|1,1,0]=4 2198 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [1,1,0,0,0,0|1,1,0]=4 2199 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [1,1,0,0,0,0|1,1,0]=4 2200 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|2,0,0]=4 2201 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|1,1,0]=4 2202 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|1,1,0]=4 2203 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [1,1,0,0,0,0|1,1,0]=4 2206 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [1,1,0,0,0,0|1,1,0]=4 2207 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [1,1,0,0,0,0|1,1,0]=4 2210 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [1,1,0,0,0,0|1,1,0]=4 2211 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [1,1,0,0,0,0|1,1,0]=4 2212 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [1,1,0,0,0,0|1,1,0]=4 2213 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [1,1,0,0,0,0|1,1,0]=4 2214 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [1,1,0,0,0,0|1,1,0]=4 2215 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [1,1,0,0,0,0|1,1,0]=4 2216 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [1,1,0,0,0,0|1,1,0]=4 2217 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [1,1,0,0,0,0|1,1,0]=4 2218 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [1,1,0,0,0,0|1,1,0]=4 2219 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [1,1,0,0,0,0|1,1,0]=4 2220 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [1,1,0,0,0,0|1,1,0]=4 2221 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [1,1,0,0,0,0|1,1,0]=4 2222 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [1,1,0,0,0,0|1,1,0]=4 2223 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [1,1,0,0,0,0|1,1,0]=4 2224 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [1,1,0,0,0,0|1,1,0]=4 2225 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [1,1,0,0,0,0|1,1,0]=4 2226 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [1,1,0,0,0,0|1,1,0]=4 2227 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [1,1,0,0,0,0|1,1,0]=4 2228 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [1,1,0,0,0,0|1,1,0]=4 2229 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [1,1,0,0,0,0|1,1,0]=4 2230 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [1,1,0,0,0,0|1,1,0]=4 2231 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [1,1,0,0,0,0|1,1,0]=4 2232 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [1,1,0,0,0,0|1,1,0]=4 2233 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [1,1,0,0,0,0|1,1,0]=4 2234 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [1,1,0,0,0,0|1,1,0]=4 2235 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [1,1,0,0,0,0|1,1,0]=4 2236 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [1,1,0,0,0,0|1,1,0]=4 2237 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [1,1,0,0,0,0|1,1,0]=4 2238 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [1,1,0,0,0,0|1,1,0]=4 2239 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [1,1,0,0,0,0|1,1,0]=4 2240 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [1,1,0,0,0,0|1,1,0]=4 2241 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [1,1,0,0,0,0|1,1,0]=4 2242 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [1,1,0,0,0,0|1,1,0]=4 2243 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [1,1,0,0,0,0|1,1,0]=4 2244 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [1,1,0,0,0,0|1,1,0]=4 2245 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [1,1,0,0,0,0|1,1,0]=4 2246 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|2,0,0]=4 2247 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [1,1,0,0,0,0|1,1,0]=4 2248 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|1,1,0]=4 2249 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [1,1,0,0,0,0|1,1,0]=4 2250 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 2251 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 2252 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [1,1,0,0,0,0|1,1,0]=4 2253 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [1,1,0,0,0,0|1,1,0]=4 2254 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [1,1,0,0,0,0|2,0,0]=4 2255 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [1,1,0,0,0,0|2,0,0]=4 2256 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|1,0,1]=4 2257 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|1,0,0]=3 2258 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|2,0,0]=4 2259 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|2,0,0]=4 2260 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|2,0,0]=4 2262 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|2,0,0]=4 2263 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [1,1,0,0,0,0|2,0,0]=4 2265 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [1,1,0,0,0,0|2,0,0]=4 2266 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [1,1,0,0,0,0|2,0,0]=4 2267 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [1,1,0,0,0,0|2,0,0]=4 2268 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [1,1,0,0,0,0|2,0,0]=4 2269 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [1,1,0,0,0,0|2,0,0]=4 2273 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [1,1,0,0,0,0|2,0,0]=4 2274 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [1,1,0,0,0,0|1,1,0]=4 2282 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|1,1,0]=4 2283 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [1,1,0,0,0,0|1,1,0]=4 2284 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [1,1,0,0,0,0|1,1,0]=4 2285 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|2,0,0]=4 2287 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|2,0,0]=4 2288 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|2,0,0]=4 2289 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2290 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2291 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|2,0,0]=4 2292 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 2293 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 2294 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2295 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2296 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 2297 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 2298 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 2299 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 2300 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|2,0,0]=4 2301 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|2,0,0]=4 2302 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|2,0,0]=4 2303 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2304 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|2,0,0]=4 2305 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2306 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|2,0,0]=4 2307 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|2,0,0]=4 2308 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|2,0,0]=4 2309 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|2,0,0]=4 2310 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|2,0,0]=4 2311 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|2,0,0]=4 2312 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|2,0,0]=4 2313 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|2,0,0]=4 2314 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|2,0,0]=4 2315 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|2,0,0]=4 2316 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|2,0,0]=4 2317 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|2,0,0]=4 2318 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,0]=3 2319 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,0]=3 2320 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,0]=3 2321 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,0]=3 2322 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,0]=3 2323 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,0]=3 2324 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,0]=3 2325 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,0]=3 2326 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|2,0,0]=4 2329 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|2,0,0]=4 2333 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|2,0,0]=4 2334 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|2,0,0]=4 2337 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|2,0,0]=4 2338 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|2,0,0]=4 2339 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 2345 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 2369 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|2,0,0]=4 2371 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|2,0,0]=4 2373 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 2375 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2376 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|2,0,0]=4 2377 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 2378 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2379 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 2385 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 2386 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|2,0,0]=4 2387 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 2388 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 2390 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 2393 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 2394 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 2395 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|2,0,0]=4 2397 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 2398 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 2400 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2401 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 2403 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|2,0,0]=4 2404 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2405 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2406 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|2,0,0]=4 2407 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2408 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 2409 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|2,0,0]=4 2410 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|2,0,0]=4 2413 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2414 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2415 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|2,0,0]=4 2416 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2417 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2418 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|2,0,0]=4 2419 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2420 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|2,0,0]=4 2421 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|2,0,0]=4 2422 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|2,0,0]=4 2423 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|2,0,0]=4 2424 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|2,0,0]=4 2425 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|2,0,0]=4 2426 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|2,0,0]=4 2427 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|2,0,0]=4 2428 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|2,0,0]=4 2431 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|2,0,0]=4 2432 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|2,0,0]=4 2433 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|2,0,0]=4 2434 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|2,0,0]=4 2435 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|2,0,0]=4 2437 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|2,0,0]=4 2438 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|2,0,0]=4 2439 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|2,0,0]=4 2440 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|2,0,0]=4 2441 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|2,0,0]=4 2442 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|2,0,0]=4 2443 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|2,0,0]=4 2444 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|2,0,0]=4 2445 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|2,0,0]=4 2448 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|2,0,0]=4 2450 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|2,0,0]=4 2451 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|2,0,0]=4 2453 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|2,0,0]=4 2454 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|2,0,0]=4 2455 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|2,0,0]=4 2460 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|2,0,0]=4 2461 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|2,0,0]=4 2462 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|2,0,0]=4 2463 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2464 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|2,0,0]=4 2465 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2466 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|2,0,0]=4 2467 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|2,0,0]=4 2468 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|2,0,0]=4 2469 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|2,0,0]=4 2470 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|2,0,0]=4 2471 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|2,0,0]=4 2472 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|2,0,0]=4 2473 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|2,0,0]=4 2474 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|2,0,0]=4 2475 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|2,0,0]=4 2476 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|2,0,0]=4 2477 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|2,0,0]=4 2478 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|2,0,0]=4 2479 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|2,0,0]=4 2480 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|2,0,0]=4 2481 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|2,0,0]=4 2483 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|2,0,0]=4 2484 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [1,1,0,0,0,0|1,1,0]=4 2485 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [1,1,0,0,0,0|1,1,0]=4 2486 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [1,1,0,0,0,0|1,1,0]=4 2487 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [1,1,0,0,0,0|1,1,0]=4 2488 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [1,1,0,0,0,0|1,1,0]=4 2489 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [1,1,0,0,0,0|1,1,0]=4 2490 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [1,1,0,0,0,0|1,1,0]=4 2491 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [1,1,0,0,0,0|2,0,0]=4 2492 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [1,1,0,0,0,0|2,0,0]=4 2493 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [1,1,0,0,0,0|1,1,0]=4 2494 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [1,1,0,0,0,0|1,1,0]=4 2495 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [1,1,0,0,0,0|2,0,0]=4 2496 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [1,1,0,0,0,0|2,0,0]=4 2497 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [1,1,0,0,0,0|1,1,0]=4 2498 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [1,1,0,0,0,0|1,1,0]=4 2499 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [1,1,0,0,0,0|2,0,0]=4 2500 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [1,1,0,0,0,0|2,0,0]=4 2501 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [1,1,0,0,0,0|1,1,0]=4 2502 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [1,1,0,0,0,0|1,1,0]=4 2503 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [1,1,0,0,0,0|1,1,0]=4 2504 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [1,1,0,0,0,0|1,1,0]=4 2505 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [1,1,0,0,0,0|1,1,0]=4 2506 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [1,1,0,0,0,0|1,1,0]=4 2507 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [1,1,0,0,0,0|1,1,0]=4 2508 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [1,1,0,0,0,0|1,1,0]=4 2509 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [1,1,0,0,0,0|1,1,0]=4 2510 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [1,1,0,0,0,0|1,1,0]=4 2511 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [1,1,0,0,0,0|1,1,0]=4 2512 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [1,1,0,0,0,0|1,1,0]=4 2513 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [1,1,0,0,0,0|1,1,0]=4 2514 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [1,1,0,0,0,0|1,1,0]=4 2515 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [1,1,0,0,0,0|1,1,0]=4 2516 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [1,1,0,0,0,0|1,1,0]=4 2517 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [1,1,0,0,0,0|1,1,0]=4 2518 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [1,1,0,0,0,0|1,1,0]=4 2519 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [1,1,0,0,0,0|1,1,0]=4 2520 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [1,1,0,0,0,0|1,1,0]=4 2521 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [1,1,0,0,0,0|1,1,0]=4 2522 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [1,1,0,0,0,0|1,1,0]=4 2523 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [1,1,0,0,0,0|1,1,0]=4 2524 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [1,1,0,0,0,0|1,1,0]=4 2525 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [1,1,0,0,0,0|1,1,0]=4 2526 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [1,1,0,0,0,0|1,1,0]=4 2527 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [1,1,0,0,0,0|1,1,0]=4 2528 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [1,1,0,0,0,0|1,1,0]=4 2529 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [1,1,0,0,0,0|1,1,0]=4 2530 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [1,1,0,0,0,0|1,1,0]=4 2531 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [1,1,0,0,0,0|1,1,0]=4 2532 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [1,1,0,0,0,0|1,1,0]=4 2533 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [1,1,0,0,0,0|1,1,0]=4 2534 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [1,1,0,0,0,0|1,1,0]=4 2535 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [1,1,0,0,0,0|1,1,0]=4 2536 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [1,1,0,0,0,0|1,1,0]=4 2537 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [1,1,0,0,0,0|1,1,0]=4 2538 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [1,1,0,0,0,0|1,1,0]=4 2539 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [1,1,0,0,0,0|1,1,0]=4 2540 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [1,1,0,0,0,0|1,1,0]=4 2541 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,1,0,0,0,0|1,0,1]=4 2542 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|1,0,0]=3 2543 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [1,1,0,0,0,0|2,0,0]=4 2544 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [1,1,0,0,0,0|1,1,0]=4 2545 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|1,1,0]=4 2546 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [1,1,0,0,0,0|2,0,0]=4 2547 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [1,1,0,0,0,0|1,1,0]=4 2548 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [1,1,0,0,0,0|1,1,0]=4 2549 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [1,1,0,0,0,0|2,0,0]=4 2550 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [1,1,0,0,0,0|2,0,0]=4 2551 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|1,0,0]=3 2552 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [1,1,0,0,0,0|2,0,0]=4 2553 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [1,1,0,0,0,0|2,0,0]=4 2554 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [1,1,0,0,0,0|2,0,0]=4 2555 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [1,1,0,0,0,0|2,0,0]=4 2556 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [1,1,0,0,0,0|2,0,0]=4 2557 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [1,1,0,0,0,0|2,0,0]=4 2558 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [1,1,0,0,0,0|2,0,0]=4 2559 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [1,1,0,0,0,0|2,0,0]=4 2560 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [1,1,0,0,0,0|2,0,0]=4 2561 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [1,1,0,0,0,0|2,0,0]=4 2562 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [1,1,0,0,0,0|2,0,0]=4 2563 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [1,1,0,0,0,0|2,0,0]=4 2564 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [1,1,0,0,0,0|2,0,0]=4 2565 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [1,1,0,0,0,0|2,0,0]=4 2566 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [1,1,0,0,0,0|2,0,0]=4 2567 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [1,1,0,0,0,0|2,0,0]=4 2568 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [1,1,0,0,0,0|2,0,0]=4 2569 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [1,1,0,0,0,0|2,0,0]=4 2570 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [1,1,0,0,0,0|2,0,0]=4 2571 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [1,1,0,0,0,0|2,0,0]=4 2572 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [1,1,0,0,0,0|2,0,0]=4 2573 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [1,1,0,0,0,0|2,0,0]=4 2574 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [1,1,0,0,0,0|2,0,0]=4 2575 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [1,1,0,0,0,0|2,0,0]=4 2576 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [1,1,0,0,0,0|1,1,0]=4 2577 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [1,1,0,0,0,0|1,1,0]=4 2578 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [1,1,0,0,0,0|1,1,0]=4 2579 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|1,1,0]=4 2580 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [1,1,0,0,0,0|1,1,0]=4 2581 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|2,0,0]=4 2582 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|2,0,0]=4 2583 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|2,0,0]=4 2584 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|2,0,0]=4 2585 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|2,0,0]=4 2586 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|2,0,0]=4 2587 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|2,0,0]=4 2588 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|2,0,0]=4 2589 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|2,0,0]=4 2590 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|2,0,0]=4 2591 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2592 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|2,0,0]=4 2593 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|2,0,0]=4 2594 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|2,0,0]=4 2595 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|2,0,0]=4 2596 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|2,0,0]=4 2597 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|2,0,0]=4 2598 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|2,0,0]=4 2599 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|2,0,0]=4 2600 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|2,0,0]=4 2601 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|2,0,0]=4 2602 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|0,1,0]=3 2603 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,1,0,0,0,0|1,1,0]=4 2604 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,1,0,0,0,0|1,1,0]=4 2605 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,1,0,0,0,0|1,0,1]=4 2606 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 2607 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 2608 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,1,0,0,0,0|1,0,1]=4 2609 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,1,0,0,0,0|1,0,1]=4 2610 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,1,0,0,0,0|1,0,1]=4 2611 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,1,0,0,0,0|1,0,1]=4 2612 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,1,0,0,0,0|1,0,1]=4 2613 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|1,0,1]=4 2614 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|1,0,1]=4 2615 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|1,0,1]=4 2616 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,1,0,0,0,0|1,0,1]=4 2617 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|1,0,1]=4 2618 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 2619 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 2620 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|1,0,1]=4 2621 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|1,0,1]=4 2622 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,1,0,0,0,0|1,0,1]=4 2623 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,1,0,0,0,0|1,0,1]=4 2624 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,1,0,0,0,0|1,0,1]=4 2625 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,1,0,0,0,0|1,0,1]=4 2626 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 2627 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|1,0,1]=4 2628 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 2629 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,1,0,0,0,0|1,0,1]=4 2630 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,1,0,0,0,0|1,0,1]=4 2631 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 2632 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|1,0,0]=3 2633 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,0]=3 2634 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,0]=3 2635 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,1,0,0,0,0|2,0,0]=4 2638 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,0,0]=3 2639 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,0,0]=3 2640 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,1,0,0,0,0|2,0,0]=4 2641 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,1,0,0,0,0|2,0,0]=4 2642 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,1,0,0,0,0|2,0,0]=4 2643 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,1,0,0,0,0|2,0,0]=4 2644 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,1,0,0,0,0|2,0,0]=4 2645 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,1,0,0,0,0|2,0,0]=4 2646 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 2647 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 2648 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 2649 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 2650 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 2651 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 2652 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 2653 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 2654 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,1,0,0,0,0|2,0,0]=4 2655 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,0]=3 2656 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 2657 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 2658 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|1,0,0]=3 2661 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|1,0,0]=3 2662 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,1,0,0,0,0|2,0,0]=4 2663 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,1,0,0,0,0|2,0,0]=4 2667 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,1,0,0,0,0|2,0,0]=4 2668 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|1,0,0]=3 2669 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|1,0,0]=3 2670 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|1,0,0]=3 2671 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,1,0,0,0,0|2,0,0]=4 2672 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,1,0,0,0,0|2,0,0]=4 2673 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,1,0,0,0,0|2,0,0]=4 2674 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,1,0,0,0,0|2,0,0]=4 2675 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|2,0,0]=4 2676 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 2677 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|1,0,0]=3 2678 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 2679 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|2,0,0]=4 2680 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|2,0,0]=4 2681 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|2,0,0]=4 2682 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|2,0,0]=4 2683 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|2,0,0]=4 2684 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|1,0,0]=3 2685 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|1,0,0]=3 2686 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,1,0,0,0,0|2,0,0]=4 2687 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,1,0,0,0,0|2,0,0]=4 2690 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [1,1,0,0,0,0|2,0,0]=4 2691 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|1,0,0]=3 2695 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|1,0,0]=3 2696 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|1,0,0]=3 2697 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|1,0,0]=3 2698 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|1,0,0]=3 2699 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2703 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|2,0,0]=4 2704 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|2,0,0]=4 2705 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2706 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|2,0,0]=4 2707 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|2,0,0]=4 2708 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|2,0,0]=4 2709 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|2,0,0]=4 2710 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|2,0,0]=4 2711 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|2,0,0]=4 2712 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|2,0,0]=4 2713 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|2,0,0]=4 2714 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|2,0,0]=4 2715 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|2,0,0]=4 2716 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 2717 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|1,0,0]=3 2718 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 2719 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|2,0,0]=4 2720 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|2,0,0]=4 2721 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|2,0,0]=4 2722 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|2,0,0]=4 2723 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 2724 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|2,0,0]=4 2725 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|2,0,0]=4 2726 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|2,0,0]=4 2727 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|2,0,0]=4 2728 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|2,0,0]=4 2729 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|2,0,0]=4 2730 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|2,0,0]=4 2731 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|2,0,0]=4 2732 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|2,0,0]=4 2733 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|2,0,0]=4 2734 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|2,0,0]=4 2735 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|2,0,0]=4 2736 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|2,0,0]=4 2737 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|2,0,0]=4 2738 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|1,0,0]=3 2739 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|1,0,0]=3 2740 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|2,0,0]=4 2741 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|2,0,0]=4 2742 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|2,0,0]=4 2743 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|2,0,0]=4 2744 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|2,0,0]=4 2745 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|2,0,0]=4 2746 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|2,0,0]=4 2747 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|2,0,0]=4 2748 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|2,0,0]=4 2749 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|2,0,0]=4 2750 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|2,0,0]=4 2751 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|2,0,0]=4 2752 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|2,0,0]=4 2753 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|2,0,0]=4 2754 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|2,0,0]=4 2755 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|2,0,0]=4 2756 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|2,0,0]=4 2757 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|2,0,0]=4 2758 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|0,1,0]=3 2759 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|0,1,0]=3 2760 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|0,1,0]=3 2761 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,1,0,0,0,0|1,1,0]=4 2762 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,1,0,0,0,0|1,1,0]=4 2763 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [1,1,0,0,0,0|1,1,0]=4 2764 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|0,1,0]=3 2765 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|0,1,0]=3 2766 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [1,1,0,0,0,0|1,1,0]=4 2767 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [1,1,0,0,0,0|1,1,0]=4 2768 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [1,1,0,0,0,0|1,1,0]=4 2769 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [1,1,0,0,0,0|1,1,0]=4 2770 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [1,1,0,0,0,0|1,1,0]=4 2771 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [1,1,0,0,0,0|1,1,0]=4 2772 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|0,1,0]=3 2773 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|0,1,0]=3 2774 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|0,1,0]=3 2775 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [1,1,0,0,0,0|1,1,0]=4 2776 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [1,1,0,0,0,0|1,1,0]=4 2777 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|0,1,0]=3 2778 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|0,1,0]=3 2779 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|0,1,0]=3 2780 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|0,1,0]=3 2781 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [1,1,0,0,0,0|1,1,0]=4 2782 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [1,1,0,0,0,0|1,1,0]=4 2783 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [1,1,0,0,0,0|1,1,0]=4 2784 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [1,1,0,0,0,0|1,1,0]=4 2785 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [1,1,0,0,0,0|1,1,0]=4 2786 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [1,1,0,0,0,0|1,1,0]=4 2787 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|0,1,0]=3 2788 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|0,1,0]=3 2789 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|0,1,0]=3 2790 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,1,0,0,0,0|1,1,0]=4 2791 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,1,0,0,0,0|1,1,0]=4 2792 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,1,0,0,0,0|1,1,0]=4 2793 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|0,1,0]=3 2794 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|0,1,0]=3 2795 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [1,1,0,0,0,0|1,1,0]=4 2796 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [1,1,0,0,0,0|1,1,0]=4 2797 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,1,0,0,0,0|1,1,0]=4 2798 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,1,0,0,0,0|1,1,0]=4 2799 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [1,1,0,0,0,0|1,1,0]=4 2800 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [1,1,0,0,0,0|1,1,0]=4 2801 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,1,0,0,0,0|1,1,0]=4 2802 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,1,0,0,0,0|1,1,0]=4 2803 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|1,0,1]=4 2804 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,1,0,0,0,0|1,0,1]=4 2805 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,1,0,0,0,0|1,0,1]=4 2806 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,1,0,0,0,0|1,0,1]=4 2807 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|1,0,1]=4 2808 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,1,0,0,0,0|1,0,1]=4 2809 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,1,0,0,0,0|1,0,1]=4 2810 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|1,0,0]=3 2811 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,1,0,0,0,0|2,0,0]=4 2812 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,1,0,0,0,0|2,0,0]=4 2813 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|1,0,1]=4 2814 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|1,0,1]=4 2815 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|1,0,1]=4 2816 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|1,0,1]=4 2817 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|1,0,1]=4 2818 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|1,0,1]=4 2819 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|1,0,0]=3 2820 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|1,0,0]=3 2821 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|1,0,0]=3 2822 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,1,0,0,0,0|2,0,0]=4 2825 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|1,0,0]=3 2826 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|1,0,0]=3 2827 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [1,1,0,0,0,0|2,0,0]=4 2829 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,1,0,0,0,0|2,0,0]=4 2830 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,1,0,0,0,0|2,0,0]=4 2831 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [1,1,0,0,0,0|2,0,0]=4 2832 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [1,1,0,0,0,0|2,0,0]=4 2833 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|1,0,0]=3 2834 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|1,0,0]=3 2835 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|1,0,0]=3 2836 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|1,0,0]=3 2837 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|1,0,0]=3 2838 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|1,0,0]=3 2839 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [1,1,0,0,0,0|2,0,0]=4 2840 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [1,1,0,0,0,0|2,0,0]=4 2841 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [1,1,0,0,0,0|2,0,0]=4 2842 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [1,1,0,0,0,0|2,0,0]=4 2843 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,1,0,0,0,0|2,0,0]=4 2844 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,1,0,0,0,0|2,0,0]=4 2845 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,1,0,0,0,0|2,0,0]=4 2846 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,1,0,0,0,0|2,0,0]=4 2847 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [1,1,0,0,0,0|2,0,0]=4 2848 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|1,0,0]=3 2850 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|1,0,0]=3 2851 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|1,0,0]=3 2852 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|1,0,0]=3 2853 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [1,1,0,0,0,0|2,0,0]=4 2854 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [1,1,0,0,0,0|2,0,0]=4 2855 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,1,0,0,0,0|2,0,0]=4 2856 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,1,0,0,0,0|2,0,0]=4 2857 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [1,1,0,0,0,0|2,0,0]=4 2858 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [1,1,0,0,0,0|2,0,0]=4 2859 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|1,0,0]=3 2860 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|1,0,0]=3 2861 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2862 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2863 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2866 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|2,0,0]=4 2867 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 2868 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 2869 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|2,0,0]=4 2872 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 2873 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|2,0,0]=4 2874 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|2,0,0]=4 2875 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|2,0,0]=4 2876 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|1,0,0]=3 2877 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|1,0,0]=3 2878 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|2,0,0]=4 2879 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|2,0,0]=4 2880 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|2,0,0]=4 2881 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,1,0,0,0,0|2,0,0]=4 2888 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,1,0,0,0,0|2,0,0]=4 2889 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,1,0,0,0,0|2,0,0]=4 2890 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,1,0,0,0,0|2,0,0]=4 2891 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,1,0,0,0,0|2,0,0]=4 2892 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,1,0,0,0,0|2,0,0]=4 2893 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,1,0,0,0,0|2,0,0]=4 2894 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,1]=4 2895 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|2,0,0]=4 2896 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|2,0,0]=4 2897 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|2,0,0]=4 2898 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|2,0,0]=4 2899 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|2,0,0]=4 2900 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [1,1,0,0,0,0|1,1,0]=4 2909 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,1,0,0,0,0|1,0,1]=4 2919 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|1,0,1]=4 2920 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|1,0,1]=4 2921 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 2928 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 2929 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 2930 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 2931 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 2932 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|2,0,0]=4 2933 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 2934 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|2,0,0]=4 2935 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|2,0,0]=4 2936 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|2,0,0]=4 2937 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 2938 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 2939 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|2,0,0]=4 2940 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|2,0,0]=4 2941 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|2,0,0]=4 2942 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|2,0,0]=4 2943 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|2,0,0]=4 2944 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|2,0,0]=4 2945 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|2,0,0]=4 2946 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|2,0,0]=4 2947 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|2,0,0]=4 2948 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 2949 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 2950 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|2,0,0]=4 2951 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|2,0,0]=4 2952 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [1,1,0,0,0,0|1,1,0]=4 2953 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [1,1,0,0,0,0|1,1,0]=4 2954 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [1,1,0,0,0,0|1,1,0]=4 2955 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [1,1,0,0,0,0|1,1,0]=4 2956 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [1,1,0,0,0,0|1,1,0]=4 2957 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|1,0,1]=4 2958 B11R1.29 CCNCC(O)c1ccco1 2230a_100000738650_100000210202 [0,1,0,0,1,0|2,0,0]=4 2959 B11R1.29 CCNCC(O)c1ccsc1 2230a_100000758718_100000210202 [0,1,0,0,1,0|2,0,0]=4 2960 B11R1.29 CCNCC(O)c1ccsc1 34a_100000758718_100000210202 [0,1,0,0,1,0|2,0,0]=4 2961 B11R1.29 OC(CNCF)c1ccsc1 34a_100000758718_100015361967 [0,1,0,0,1,0|1,1,0]=4 2962 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 2230a_100000210018_100009893172 [0,1,0,0,0,1|2,0,0]=4 2963 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 34a_100000210018_100009893172 [0,1,0,0,0,1|2,0,0]=4 2964 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 2230a_100000210052_100009893172 [0,1,0,0,0,1|2,0,0]=4 2965 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 34a_100000210052_100009893172 [0,1,0,0,0,1|2,0,0]=4 2966 B13R1.19 CC(CCO)Nc1ccc(cc1)F 34a_100000185862_100009893172 [0,1,0,0,0,1|2,0,0]=4 2967 B13R1.19 CC(CCO)Nc1ccc(cc1)I 34a_100000185761_100009893172 [0,1,0,0,0,1|2,0,0]=4 2968 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [0,1,0,0,0,1|2,0,0]=4 2969 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 34a_100000185759_100009893172 [0,1,0,0,0,1|2,0,0]=4 2970 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 7a_100000185759_100009893172 [0,1,0,0,0,1|2,0,0]=4 2971 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 34a_100000210216_100009893172 [0,1,0,0,0,1|2,0,0]=4 2972 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 7a_100000210216_100009893172 [0,1,0,0,0,1|2,0,0]=4 2973 B13R1.19 CC(CCO)Oc1ccc(cc1)F 34a_100000210339_100009893172 [0,1,0,0,0,1|2,0,0]=4 2974 B13R1.19 CC(CCO)Oc1ccc(cc1)I 34a_100000212066_100009893172 [0,1,0,0,0,1|2,0,0]=4 2975 B13R1.19 CC(CCO)Oc1ccc(cc1)I 7a_100000212066_100009893172 [0,1,0,0,0,1|2,0,0]=4 2976 B13R1.19 CC(CCO)Oc1ccc(cc1)N 34a_100000185829_100009893172 [0,1,0,0,0,1|2,0,0]=4 2977 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100000752885_100009893172 [0,1,0,0,0,1|2,0,0]=4 2978 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100009893172_100000752885 [0,1,0,0,0,1|2,0,0]=4 2979 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100000755918_100009893172 [0,1,0,0,0,1|2,0,0]=4 2980 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100009893172_100000755918 [0,1,0,0,0,1|2,0,0]=4 2981 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100000211213_100009893172 [0,1,0,0,0,1|2,0,0]=4 2982 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100009893172_100000211213 [0,1,0,0,0,1|2,0,0]=4 2983 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100000185761_100009893172 [0,1,0,0,0,1|2,0,0]=4 2984 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100009893172_100000185761 [0,1,0,0,0,1|2,0,0]=4 2985 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [0,1,0,0,0,1|2,0,0]=4 2986 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000766640 [0,1,0,0,0,1|2,0,0]=4 2987 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000766640 [0,1,0,0,0,1|2,0,0]=4 2988 B13R1.19 CCCC(C)Nc1ccc(cc1)C 34a_100000124888_100000766640 [0,1,0,0,0,1|2,0,0]=4 2989 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [0,1,0,0,0,1|2,0,0]=4 2990 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [0,1,0,0,0,1|2,0,0]=4 2991 B13R1.19 CCCC(C)Nc1ccc(cc1)F 34a_100000185862_100000766640 [0,1,0,0,0,1|2,0,0]=4 2992 B13R1.19 CCCC(C)Nc1ccc(cc1)I 34a_100000185761_100000766640 [0,1,0,0,0,1|2,0,0]=4 2993 B13R1.19 CCCC(C)Nc1ccc(cc1)O 34a_100000185829_100000766640 [0,1,0,0,0,1|2,0,0]=4 2994 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [0,1,0,0,0,1|2,0,0]=4 2995 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [0,1,0,0,0,1|2,0,0]=4 2996 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,1,0,0,0,1|2,0,0]=4 2997 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,1,0,0,0,1|2,0,0]=4 2998 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [0,1,0,0,0,1|2,0,0]=4 2999 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [0,1,0,0,0,1|2,0,0]=4 3000 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [0,1,0,0,0,1|2,0,0]=4 3001 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [0,1,0,0,0,1|2,0,0]=4 3002 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [0,1,0,0,0,1|2,0,0]=4 3003 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [0,1,0,0,0,1|2,0,0]=4 3004 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000766640 [0,1,0,0,0,1|2,0,0]=4 3005 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000766640_100000752885 [0,1,0,0,0,1|2,0,0]=4 3006 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000186775_100000766640 [0,1,0,0,0,1|2,0,0]=4 3007 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000766640_100000186775 [0,1,0,0,0,1|2,0,0]=4 3008 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [0,1,0,0,0,1|2,0,0]=4 3009 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [0,1,0,0,0,1|2,0,0]=4 3010 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000211213_100000766640 [0,1,0,0,0,1|2,0,0]=4 3011 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000766640_100000211213 [0,1,0,0,0,1|2,0,0]=4 3012 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000185761_100000766640 [0,1,0,0,0,1|2,0,0]=4 3013 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000766640_100000185761 [0,1,0,0,0,1|2,0,0]=4 3014 B13R1.19 CCCC(C)Sc1ccc(cc1)O 62a_100000766640_100000185759 [0,1,0,0,0,1|2,0,0]=4 3015 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [0,1,0,0,0,1|2,0,0]=4 3016 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [0,1,0,0,0,1|2,0,0]=4 3017 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [0,1,0,0,0,1|2,0,0]=4 3018 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [0,1,0,0,0,1|2,0,0]=4 3019 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [0,1,0,0,0,1|2,0,0]=4 3020 B13R1.20 CC(CCO)Nc1cccc(c1)Br 34a_100000210019_100009893172 [0,1,0,0,0,1|2,0,0]=4 3021 B13R1.20 CC(CCO)Nc1cccc(c1)Cl 34a_100000185859_100009893172 [0,1,0,0,0,1|2,0,0]=4 3022 B13R1.20 CC(CCO)Nc1cccc(c1)F 34a_100000210047_100009893172 [0,1,0,0,0,1|2,0,0]=4 3023 B13R1.20 CC(CCO)Nc1cccc(c1)I 34a_100000211102_100009893172 [0,1,0,0,0,1|2,0,0]=4 3024 B13R1.20 CC(CCO)Nc1cccc(c1)O 34a_100000210217_100009893172 [0,1,0,0,0,1|2,0,0]=4 3025 B13R1.20 CC(CCO)Oc1cccc(c1)Br 34a_100000210342_100009893172 [0,1,0,0,0,1|2,0,0]=4 3026 B13R1.20 CC(CCO)Oc1cccc(c1)Br 7a_100000210342_100009893172 [0,1,0,0,0,1|2,0,0]=4 3027 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 34a_100000210295_100009893172 [0,1,0,0,0,1|2,0,0]=4 3028 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 7a_100000210295_100009893172 [0,1,0,0,0,1|2,0,0]=4 3029 B13R1.20 CC(CCO)Oc1cccc(c1)F 34a_100000210426_100009893172 [0,1,0,0,0,1|2,0,0]=4 3030 B13R1.20 CC(CCO)Oc1cccc(c1)F 7a_100000210426_100009893172 [0,1,0,0,0,1|2,0,0]=4 3031 B13R1.20 CC(CCO)Oc1cccc(c1)I 34a_100000211634_100009893172 [0,1,0,0,0,1|2,0,0]=4 3032 B13R1.20 CC(CCO)Oc1cccc(c1)I 7a_100000211634_100009893172 [0,1,0,0,0,1|2,0,0]=4 3033 B13R1.20 CC(CCO)Oc1cccc(c1)N 34a_100000210217_100009893172 [0,1,0,0,0,1|2,0,0]=4 3034 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100000691529_100009893172 [0,1,0,0,0,1|2,0,0]=4 3035 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100009893172_100000691529 [0,1,0,0,0,1|2,0,0]=4 3036 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100000699651_100009893172 [0,1,0,0,0,1|2,0,0]=4 3037 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100009893172_100000699651 [0,1,0,0,0,1|2,0,0]=4 3038 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100000685547_100009893172 [0,1,0,0,0,1|2,0,0]=4 3039 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100009893172_100000685547 [0,1,0,0,0,1|2,0,0]=4 3040 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100000210019_100009893172 [0,1,0,0,0,1|2,0,0]=4 3041 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100009893172_100000210019 [0,1,0,0,0,1|2,0,0]=4 3042 B13R1.20 CC(CCO)Sc1cccc(c1)O 62a_100009893172_100000211634 [0,1,0,0,0,1|2,0,0]=4 3043 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_100009893172_114929384022 [0,1,0,0,0,1|2,0,0]=4 3044 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_114929384022_100009893172 [0,1,0,0,0,1|2,0,0]=4 3045 B13R1.20 CCCC(C)Nc1cccc(c1)Br 34a_100000210019_100000766640 [0,1,0,0,0,1|2,0,0]=4 3046 B13R1.20 CCCC(C)Nc1cccc(c1)C 2230a_100000188690_100000766640 [0,1,0,0,0,1|2,0,0]=4 3047 B13R1.20 CCCC(C)Nc1cccc(c1)C 34a_100000188690_100000766640 [0,1,0,0,0,1|2,0,0]=4 3048 B13R1.20 CCCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000766640 [0,1,0,0,0,1|2,0,0]=4 3049 B13R1.20 CCCC(C)Nc1cccc(c1)F 34a_100000210047_100000766640 [0,1,0,0,0,1|2,0,0]=4 3050 B13R1.20 CCCC(C)Nc1cccc(c1)I 34a_100000211102_100000766640 [0,1,0,0,0,1|2,0,0]=4 3051 B13R1.20 CCCC(C)Nc1cccc(c1)O 34a_100000210217_100000766640 [0,1,0,0,0,1|2,0,0]=4 3052 B13R1.20 CCCC(C)Oc1cccc(c1)Br 34a_100000210342_100000766640 [0,1,0,0,0,1|2,0,0]=4 3053 B13R1.20 CCCC(C)Oc1cccc(c1)Br 7a_100000210342_100000766640 [0,1,0,0,0,1|2,0,0]=4 3054 B13R1.20 CCCC(C)Oc1cccc(c1)C 34a_100000210337_100000766640 [0,1,0,0,0,1|2,0,0]=4 3055 B13R1.20 CCCC(C)Oc1cccc(c1)C 7a_100000210337_100000766640 [0,1,0,0,0,1|2,0,0]=4 3056 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000766640 [0,1,0,0,0,1|2,0,0]=4 3057 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000766640 [0,1,0,0,0,1|2,0,0]=4 3058 B13R1.20 CCCC(C)Oc1cccc(c1)F 34a_100000210426_100000766640 [0,1,0,0,0,1|2,0,0]=4 3059 B13R1.20 CCCC(C)Oc1cccc(c1)F 7a_100000210426_100000766640 [0,1,0,0,0,1|2,0,0]=4 3060 B13R1.20 CCCC(C)Oc1cccc(c1)I 34a_100000211634_100000766640 [0,1,0,0,0,1|2,0,0]=4 3061 B13R1.20 CCCC(C)Oc1cccc(c1)I 7a_100000211634_100000766640 [0,1,0,0,0,1|2,0,0]=4 3062 B13R1.20 CCCC(C)Oc1cccc(c1)N 34a_100000210217_100000766640 [0,1,0,0,0,1|2,0,0]=4 3063 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000691529_100000766640 [0,1,0,0,0,1|2,0,0]=4 3064 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000766640_100000691529 [0,1,0,0,0,1|2,0,0]=4 3065 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100000766640_100011215228 [0,1,0,0,0,1|2,0,0]=4 3066 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100011215228_100000766640 [0,1,0,0,0,1|2,0,0]=4 3067 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000766640 [0,1,0,0,0,1|2,0,0]=4 3068 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000766640_100000699651 [0,1,0,0,0,1|2,0,0]=4 3069 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000685547_100000766640 [0,1,0,0,0,1|2,0,0]=4 3070 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000766640_100000685547 [0,1,0,0,0,1|2,0,0]=4 3071 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000210019_100000766640 [0,1,0,0,0,1|2,0,0]=4 3072 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000766640_100000210019 [0,1,0,0,0,1|2,0,0]=4 3073 B13R1.20 CCCC(C)Sc1cccc(c1)O 62a_100000766640_100000211634 [0,1,0,0,0,1|2,0,0]=4 3074 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_100000766640_114929384022 [0,1,0,0,0,1|2,0,0]=4 3075 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000766640 [0,1,0,0,0,1|2,0,0]=4 3076 B13R1.20 Cc1cccc(c1)NC(C)CCO 2230a_100000188690_100009893172 [0,1,0,0,0,1|2,0,0]=4 3077 B13R1.20 Cc1cccc(c1)NC(C)CCO 34a_100000188690_100009893172 [0,1,0,0,0,1|2,0,0]=4 3078 B13R1.20 Cc1cccc(c1)OC(C)CCO 34a_100000210337_100009893172 [0,1,0,0,0,1|2,0,0]=4 3079 B13R1.20 Cc1cccc(c1)OC(C)CCO 7a_100000210337_100009893172 [0,1,0,0,0,1|2,0,0]=4 3080 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100009893172_100011215228 [0,1,0,0,0,1|2,0,0]=4 3081 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100011215228_100009893172 [0,1,0,0,0,1|2,0,0]=4 3082 B13R1.44 CC(CNCF)Oc1ccccc1 34a_100000755676_100015361967 [0,1,0,0,0,1|1,1,0]=4 3083 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,1,0,0,0,1|1,1,0]=4 3084 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,1,0,0,0,1|1,1,0]=4 3085 B13R1.44 CC(COCF)Oc1ccccc1 34a_200000036796_100015361967 [0,1,0,0,0,1|1,1,0]=4 3086 B13R1.44 CC(COCF)Oc1ccccc1 7a_200000036796_100015361967 [0,1,0,0,0,1|1,1,0]=4 3087 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,1,0,0,0,1|1,1,0]=4 3088 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,1,0,0,0,1|2,0,0]=4 3089 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,1,0,0,0,1|1,1,0]=4 3090 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,1,0,0,0,1|1,1,0]=4 3091 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,1,0,0,0,1|1,1,0]=4 3092 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,1,0,0,0,1|2,0,0]=4 3093 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,1,0,0,0,1|2,0,0]=4 3094 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,1,0,0,0,1|2,0,0]=4 3095 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,1,0,0,0,1|1,1,0]=4 3096 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,1,0,0,0,1|1,1,0]=4 3097 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,1,0,0,0,1|2,0,0]=4 3098 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,1,0,0,0,1|2,0,0]=4 3099 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,1,0,0,0,1|2,0,0]=4 3100 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,1,0,0,0,1|2,0,0]=4 3101 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,1,0,0,0,1|2,0,0]=4 3102 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,1,0,0,0,1|2,0,0]=4 3103 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,1,0,0,0,1|2,0,0]=4 3104 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,1,0,0,0,1|2,0,0]=4 3105 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,1,0,0,0,1|2,0,0]=4 3106 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,1,0,0,0,1|2,0,0]=4 3107 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,1,0,0,0,1|2,0,0]=4 3108 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,1,0,0,0,1|2,0,0]=4 3109 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,1,0,0,0,1|2,0,0]=4 3110 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,1,0,0,0,1|2,0,0]=4 3111 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,1,0,0,0,1|1,0,0]=3 3112 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,1,0,0,0,1|1,0,0]=3 3113 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,1,0,0,0,1|2,0,0]=4 3114 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,1,0,0,0,1|2,0,0]=4 3115 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,1,0,0,0,1|2,0,0]=4 3116 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,1,0,0,0,1|2,0,0]=4 3117 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,1,0,0,0,1|2,0,0]=4 3118 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,1,0,0,0,1|1,0,0]=3 3119 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,1,0,0,0,1|1,0,0]=3 3120 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,1,0,0,0,1|1,0,0]=3 3121 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,1,0,0,0,1|1,1,0]=4 3122 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [0,1,0,0,0,1|0,1,0]=3 3123 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [0,1,0,0,0,1|0,1,0]=3 3124 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,1,0,0,0,1|2,0,0]=4 3125 B13R1.47 CC(CCO)N(C)c1ccccc1 2230a_100000210012_100009893172 [0,1,0,0,0,1|2,0,0]=4 3126 B13R1.47 CC(CCO)N(C)c1ccccc1 269982a_100000210012_100009893172 [0,1,0,0,0,1|2,0,0]=4 3127 B13R1.47 CC(CCO)N(C)c1ccccc1 34a_100000210012_100009893172 [0,1,0,0,0,1|2,0,0]=4 3128 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,1,0,0,0,1|2,0,0]=4 3129 B13R1.47 CCCC(C)N(C)c1ccccc1 2230a_100000210012_100000766640 [0,1,0,0,0,1|2,0,0]=4 3130 B13R1.47 CCCC(C)N(C)c1ccccc1 269982a_100000210012_100000766640 [0,1,0,0,0,1|2,0,0]=4 3131 B13R1.47 CCCC(C)N(C)c1ccccc1 34a_100000210012_100000766640 [0,1,0,0,0,1|2,0,0]=4 3132 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,1,0,0,0,1|2,0,0]=4 3133 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,1,0,0,0,1|2,0,0]=4 3134 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,1,0,0,0,1|2,0,0]=4 3135 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,1,0,0,0,1|2,0,0]=4 3136 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,1,0,0,0,1|2,0,0]=4 3137 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,1,0,0,0,1|2,0,0]=4 3138 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,1,0,0,0,1|1,0,1]=4 3139 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,1,0,0,0,1|0,1,1]=4 3140 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,1,0,0,0,1|2,0,0]=4 3141 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,1,0,0,0,1|2,0,0]=4 3142 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,1,0,0,0,1|2,0,0]=4 3143 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,1,0,0,0,1|2,0,0]=4 3144 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,1,0,0,0,1|2,0,0]=4 3145 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,1,0,0,0,1|2,0,0]=4 3146 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,1,0,0,0,1|2,0,0]=4 3147 B13R1.470 CC(CCO)Nc1ccccc1Br 34a_100000210017_100009893172 [0,1,0,0,0,1|2,0,0]=4 3148 B13R1.470 CC(CCO)Nc1ccccc1Cl 34a_100000185783_100009893172 [0,1,0,0,0,1|2,0,0]=4 3149 B13R1.470 CC(CCO)Nc1ccccc1F 34a_100000210422_100009893172 [0,1,0,0,0,1|2,0,0]=4 3150 B13R1.470 CC(CCO)Nc1ccccc1I 34a_100000210053_100009893172 [0,1,0,0,0,1|2,0,0]=4 3151 B13R1.470 CC(CCO)Nc1ccccc1O 34a_100000185747_100009893172 [0,1,0,0,0,1|2,0,0]=4 3152 B13R1.470 CC(CCO)Oc1ccccc1Br 34a_100000181306_100009893172 [0,1,0,0,0,1|2,0,0]=4 3153 B13R1.470 CC(CCO)Oc1ccccc1Br 7a_100000181306_100009893172 [0,1,0,0,0,1|2,0,0]=4 3154 B13R1.470 CC(CCO)Oc1ccccc1Cl 34a_100000210172_100009893172 [0,1,0,0,0,1|2,0,0]=4 3155 B13R1.470 CC(CCO)Oc1ccccc1Cl 7a_100000210172_100009893172 [0,1,0,0,0,1|2,0,0]=4 3156 B13R1.470 CC(CCO)Oc1ccccc1F 34a_100000210171_100009893172 [0,1,0,0,0,1|2,0,0]=4 3157 B13R1.470 CC(CCO)Oc1ccccc1F 7a_100000210171_100009893172 [0,1,0,0,0,1|2,0,0]=4 3158 B13R1.470 CC(CCO)Oc1ccccc1I 34a_100000739446_100009893172 [0,1,0,0,0,1|2,0,0]=4 3159 B13R1.470 CC(CCO)Oc1ccccc1I 7a_100000739446_100009893172 [0,1,0,0,0,1|2,0,0]=4 3160 B13R1.470 CC(CCO)Oc1ccccc1N 34a_100000185747_100009893172 [0,1,0,0,0,1|2,0,0]=4 3161 B13R1.470 CC(CCO)Oc1ccccc1N 7a_100000185747_100009893172 [0,1,0,0,0,1|2,0,0]=4 3162 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100000695589_100009893172 [0,1,0,0,0,1|2,0,0]=4 3163 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100009893172_100000695589 [0,1,0,0,0,1|2,0,0]=4 3164 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100000764095_100009893172 [0,1,0,0,0,1|2,0,0]=4 3165 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100009893172_100000764095 [0,1,0,0,0,1|2,0,0]=4 3166 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100009893172_100011215700 [0,1,0,0,0,1|2,0,0]=4 3167 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100011215700_100009893172 [0,1,0,0,0,1|2,0,0]=4 3168 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100000210017_100009893172 [0,1,0,0,0,1|2,0,0]=4 3169 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100009893172_100000210017 [0,1,0,0,0,1|2,0,0]=4 3170 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100000739446_100009893172 [0,1,0,0,0,1|2,0,0]=4 3171 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100009893172_100000739446 [0,1,0,0,0,1|2,0,0]=4 3172 B13R1.470 CCCC(C)Nc1ccccc1Br 34a_100000210017_100000766640 [0,1,0,0,0,1|2,0,0]=4 3173 B13R1.470 CCCC(C)Nc1ccccc1C 34a_100015192222_100000766640 [0,1,0,0,0,1|2,0,0]=4 3174 B13R1.470 CCCC(C)Nc1ccccc1Cl 34a_100000185783_100000766640 [0,1,0,0,0,1|2,0,0]=4 3175 B13R1.470 CCCC(C)Nc1ccccc1F 34a_100000210422_100000766640 [0,1,0,0,0,1|2,0,0]=4 3176 B13R1.470 CCCC(C)Nc1ccccc1I 34a_100000210053_100000766640 [0,1,0,0,0,1|2,0,0]=4 3177 B13R1.470 CCCC(C)Nc1ccccc1O 34a_100000185747_100000766640 [0,1,0,0,0,1|2,0,0]=4 3178 B13R1.470 CCCC(C)Oc1ccccc1Br 34a_100000181306_100000766640 [0,1,0,0,0,1|2,0,0]=4 3179 B13R1.470 CCCC(C)Oc1ccccc1Br 7a_100000181306_100000766640 [0,1,0,0,0,1|2,0,0]=4 3180 B13R1.470 CCCC(C)Oc1ccccc1C 34a_100000210338_100000766640 [0,1,0,0,0,1|2,0,0]=4 3181 B13R1.470 CCCC(C)Oc1ccccc1C 7a_100000210338_100000766640 [0,1,0,0,0,1|2,0,0]=4 3182 B13R1.470 CCCC(C)Oc1ccccc1Cl 34a_100000210172_100000766640 [0,1,0,0,0,1|2,0,0]=4 3183 B13R1.470 CCCC(C)Oc1ccccc1Cl 7a_100000210172_100000766640 [0,1,0,0,0,1|2,0,0]=4 3184 B13R1.470 CCCC(C)Oc1ccccc1F 34a_100000210171_100000766640 [0,1,0,0,0,1|2,0,0]=4 3185 B13R1.470 CCCC(C)Oc1ccccc1F 7a_100000210171_100000766640 [0,1,0,0,0,1|2,0,0]=4 3186 B13R1.470 CCCC(C)Oc1ccccc1I 34a_100000739446_100000766640 [0,1,0,0,0,1|2,0,0]=4 3187 B13R1.470 CCCC(C)Oc1ccccc1I 7a_100000739446_100000766640 [0,1,0,0,0,1|2,0,0]=4 3188 B13R1.470 CCCC(C)Oc1ccccc1N 34a_100000185747_100000766640 [0,1,0,0,0,1|2,0,0]=4 3189 B13R1.470 CCCC(C)Oc1ccccc1N 7a_100000185747_100000766640 [0,1,0,0,0,1|2,0,0]=4 3190 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000695589_100000766640 [0,1,0,0,0,1|2,0,0]=4 3191 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000766640_100000695589 [0,1,0,0,0,1|2,0,0]=4 3192 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000210755_100000766640 [0,1,0,0,0,1|2,0,0]=4 3193 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000766640_100000210755 [0,1,0,0,0,1|2,0,0]=4 3194 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000764095_100000766640 [0,1,0,0,0,1|2,0,0]=4 3195 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000766640_100000764095 [0,1,0,0,0,1|2,0,0]=4 3196 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100000766640_100011215700 [0,1,0,0,0,1|2,0,0]=4 3197 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100011215700_100000766640 [0,1,0,0,0,1|2,0,0]=4 3198 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000210017_100000766640 [0,1,0,0,0,1|2,0,0]=4 3199 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000766640_100000210017 [0,1,0,0,0,1|2,0,0]=4 3200 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000739446_100000766640 [0,1,0,0,0,1|2,0,0]=4 3201 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000766640_100000739446 [0,1,0,0,0,1|2,0,0]=4 3202 B13R1.470 Cc1ccccc1NC(C)CCO 34a_100015192222_100009893172 [0,1,0,0,0,1|2,0,0]=4 3203 B13R1.470 Cc1ccccc1OC(C)CCO 34a_100000210338_100009893172 [0,1,0,0,0,1|2,0,0]=4 3204 B13R1.470 Cc1ccccc1OC(C)CCO 7a_100000210338_100009893172 [0,1,0,0,0,1|2,0,0]=4 3205 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100000210755_100009893172 [0,1,0,0,0,1|2,0,0]=4 3206 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100009893172_100000210755 [0,1,0,0,0,1|2,0,0]=4 3207 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 34a_100011466436_200000210301 [0,2,0,0,0,0|1,0,1]=4 3208 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 7a_100011466436_200000210301 [0,2,0,0,0,0|1,0,1]=4 3209 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 34a_200011466439_200000210301 [0,2,0,0,0,0|1,0,1]=4 3210 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 7a_200011466439_200000210301 [0,2,0,0,0,0|1,0,1]=4 3211 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 34a_100011466436_200025704644 [0,2,0,0,0,0|1,0,1]=4 3212 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 7a_100011466436_200025704644 [0,2,0,0,0,0|1,0,1]=4 3213 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 34a_200011466439_200025704644 [0,2,0,0,0,0|1,0,1]=4 3214 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 7a_200011466439_200025704644 [0,2,0,0,0,0|1,0,1]=4 3215 B13R1.1 CCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011267722 [0,2,0,0,0,0|2,0,0]=4 3216 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,2,0,0,0,0|2,0,0]=4 3217 B13R1.1 CCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000211515 [0,2,0,0,0,0|2,0,0]=4 3218 B13R1.1 CCCC(NC)c1ccc(cc1)F 269862a_106832991636_100011267477 [0,2,0,0,0,0|2,0,0]=4 3219 B13R1.1 CCCC(OC)c1ccc(cc1)Br 34a_100011350873_200000210301 [0,2,0,0,0,0|1,0,0]=3 3220 B13R1.1 CCCC(OC)c1ccc(cc1)Br 7a_100011350873_200000210301 [0,2,0,0,0,0|1,0,0]=3 3221 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 34a_100011350873_200025704644 [0,2,0,0,0,0|1,0,0]=3 3222 B13R1.1 CCCC(O[13CH3])c1ccc(cc1)Br 7a_100011350873_200025704644 [0,2,0,0,0,0|1,0,0]=3 3223 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,2,0,0,0,0|2,0,0]=4 3224 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,2,0,0,0,0|2,0,0]=4 3225 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,2,0,0,0,0|2,0,0]=4 3226 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,2,0,0,0,0|2,0,0]=4 3227 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 2230a_100020612123_200000210301 [0,2,0,0,0,0|2,0,0]=4 3228 B13R1.1 CCC[C@H](NC)c1ccc(cc1)F 34a_100020612123_200000210301 [0,2,0,0,0,0|2,0,0]=4 3229 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 2230a_100020612123_200025704644 [0,2,0,0,0,0|2,0,0]=4 3230 B13R1.1 CCC[C@H](N[13CH3])c1ccc(cc1)F 34a_100020612123_200025704644 [0,2,0,0,0,0|2,0,0]=4 3231 B13R1.1 CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 3232 B13R1.1 CCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 3233 B13R1.1 CCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 3234 B13R1.1 CCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 3236 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.1 CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 3239 B13R1.1 CNC(CCO)c1ccc(cc1)C 2230a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.1 CNC(CCO)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.1 CNC(CCO)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.1 CNC(CCO)c1ccc(cc1)F 2230a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.1 CNC(CCO)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3246 B13R1.1 CN[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3247 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 2230a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3248 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3249 B13R1.1 Cc1ccc(cc1)[C@H](CO)NCF 34a_100009818840_100015361967 [0,2,0,0,0,0|1,1,0]=4 3250 B13R1.1 OCC(NCF)c1ccc(cc1)Br 34a_100000734186_100015361967 [0,2,0,0,0,0|1,1,0]=4 3251 B13R1.1 OCC(NCF)c1ccc(cc1)F 34a_100000705410_100015361967 [0,2,0,0,0,0|1,1,0]=4 3252 B13R1.1 OC[C@@H](NCF)c1ccc(cc1)Cl 34a_100009818818_100015361967 [0,2,0,0,0,0|1,1,0]=4 3253 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 2230a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 3255 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 2230a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 3256 B13R1.1 [13CH3]NC(CCO)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 3257 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 2230a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3258 B13R1.1 [13CH3]N[C@@H](CCO)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3259 B13R1.2 CCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 3260 B13R1.2 CCNC(CO)c1cccc(c1)Br 34a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 3261 B13R1.2 CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210202 [0,2,0,0,0,0|2,0,0]=4 3262 B13R1.2 CCNC(CO)c1cccc(c1)O 34a_100025717460_100000210202 [0,2,0,0,0,0|2,0,0]=4 3263 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 3264 B13R1.2 CCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 3265 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.2 CCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.2 CCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.2 CNC(CCO)c1cccc(c1)Br 2230a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 3270 B13R1.2 CNC(CCO)c1cccc(c1)Br 34a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 3271 B13R1.2 CNC(CCO)c1cccc(c1)C 2230a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 3272 B13R1.2 CNC(CCO)c1cccc(c1)C 34a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 3273 B13R1.2 CNC(CCO)c1cccc(c1)Cl 2230a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 3274 B13R1.2 CNC(CCO)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 3275 B13R1.2 CNC(CCO)c1cccc(c1)F 2230a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 3276 B13R1.2 CNC(CCO)c1cccc(c1)F 34a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 3277 B13R1.2 CNCC(OC)c1cccc(c1)Br 34a_200000733937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3278 B13R1.2 CNCC(O[13CH3])c1cccc(c1)Br 34a_200000733937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3279 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200000210301 [0,2,0,0,0,0|2,0,0]=4 3280 B13R1.2 CN[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200000210301 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 2230a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 3282 B13R1.2 Cc1cccc(c1)C(CCO)N[13CH3] 34a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 3283 B13R1.2 Cc1cccc(c1)[C@@H](CO)NCF 34a_100009818812_100015361967 [0,2,0,0,0,0|1,1,0]=4 3284 B13R1.2 OCC(NCF)c1cccc(c1)Br 34a_100000690078_100015361967 [0,2,0,0,0,0|1,1,0]=4 3285 B13R1.2 OCC(NCF)c1cccc(c1)O 34a_100025717460_100015361967 [0,2,0,0,0,0|1,1,0]=4 3286 B13R1.2 OC[C@@H](NCF)c1cccc(c1)F 34a_100020641251_100015361967 [0,2,0,0,0,0|1,1,0]=4 3287 B13R1.2 OC[C@H](NCF)c1cccc(c1)Cl 34a_100032004910_100015361967 [0,2,0,0,0,0|1,1,0]=4 3288 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 2230a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 3289 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Br 34a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 2230a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 3291 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 3292 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 2230a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 3293 B13R1.2 [13CH3]NC(CCO)c1cccc(c1)F 34a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 3294 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 2230a_100025705919_200025704644 [0,2,0,0,0,0|2,0,0]=4 3295 B13R1.2 [13CH3]N[C@@H](CCO)c1cccc(c1)O 34a_100025705919_200025704644 [0,2,0,0,0,0|2,0,0]=4 3296 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,2,0,0,0,0|2,0,0]=4 3297 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,2,0,0,0,0|2,0,0]=4 3298 B13R1.26 C#CC(OCCF)c1ccccc1 34a_100011219616_100011217306 [0,2,0,0,0,0|1,1,0]=4 3299 B13R1.26 C#CC(OCCF)c1ccccc1 7a_100011219616_100011217306 [0,2,0,0,0,0|1,1,0]=4 3300 B13R1.26 C#CC(OCCO)c1ccccc1 34a_100011219616_100000211926 [0,2,0,0,0,0|2,0,0]=4 3301 B13R1.26 C#CC(OCCO)c1ccccc1 7a_100011219616_100000211926 [0,2,0,0,0,0|2,0,0]=4 3302 B13R1.26 C#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000038162 [0,2,0,0,0,0|1,0,1]=4 3303 B13R1.26 C#CCN[C@H](CO)c1ccccc1 34a_100000751927_100000184674 [0,2,0,0,0,0|1,0,1]=4 3304 B13R1.26 C=CC(NCCO)c1ccccc1 2230a_100016997473_200000085779 [0,2,0,0,0,0|2,0,0]=4 3305 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,2,0,0,0,0|2,0,0]=4 3306 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,2,0,0,0,0|2,0,0]=4 3307 B13R1.26 C=CC(OCCF)c1ccccc1 34a_100011215659_100011217306 [0,2,0,0,0,0|1,1,0]=4 3308 B13R1.26 C=CC(OCCF)c1ccccc1 7a_100011215659_100011217306 [0,2,0,0,0,0|1,1,0]=4 3309 B13R1.26 C=CC(OCCO)c1ccccc1 34a_100011215659_100000211926 [0,2,0,0,0,0|2,0,0]=4 3310 B13R1.26 C=CC(OCCO)c1ccccc1 7a_100011215659_100000211926 [0,2,0,0,0,0|2,0,0]=4 3311 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [0,2,0,0,0,0|2,0,0]=4 3312 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.26 C=CC(SCCF)c1ccccc1 62a_100011217306_200000085779 [0,2,0,0,0,0|1,1,0]=4 3314 B13R1.26 C=CC(SCCF)c1ccccc1 62a_200000085779_100011217306 [0,2,0,0,0,0|1,1,0]=4 3315 B13R1.26 C=CC(SCCO)c1ccccc1 62a_100000211926_200000085779 [0,2,0,0,0,0|2,0,0]=4 3316 B13R1.26 C=CC(SCCO)c1ccccc1 62a_200000085779_100000211926 [0,2,0,0,0,0|2,0,0]=4 3317 B13R1.26 C=CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210623 [0,2,0,0,0,0|1,0,1]=4 3318 B13R1.26 C=CCN[C@H](CO)c1ccccc1 34a_100000751927_100015514636 [0,2,0,0,0,0|1,0,1]=4 3319 B13R1.26 CCC(COCF)c1ccccc1 34a_100000752371_100015361967 [0,2,0,0,0,0|1,1,0]=4 3320 B13R1.26 CCC(COCF)c1ccccc1 7a_100000752371_100015361967 [0,2,0,0,0,0|1,1,0]=4 3321 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,2,0,0,0,0|1,1,0]=4 3322 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,2,0,0,0,0|1,1,0]=4 3323 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,2,0,0,0,0|2,0,0]=4 3324 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,2,0,0,0,0|2,0,0]=4 3325 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,2,0,0,0,0|1,1,0]=4 3326 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,2,0,0,0,0|1,1,0]=4 3327 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,2,0,0,0,0|2,0,0]=4 3328 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,2,0,0,0,0|2,0,0]=4 3329 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,2,0,0,0,0|2,0,0]=4 3330 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 3331 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,2,0,0,0,0|1,0,0]=3 3332 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 3333 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,2,0,0,0,0|1,0,0]=3 3334 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,2,0,0,0,0|2,0,0]=4 3335 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,2,0,0,0,0|2,0,0]=4 3336 B13R1.26 CCCNC(CO)c1ccccn1 2230a_100015196888_100000210303 [0,2,0,0,0,0|2,0,0]=4 3337 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,2,0,0,0,0|1,0,0]=3 3338 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|1,0,0]=3 3339 B13R1.26 CCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210303 [0,2,0,0,0,0|2,0,0]=4 3340 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,2,0,0,0,0|2,0,0]=4 3341 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,2,0,0,0,0|2,0,0]=4 3342 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,2,0,0,0,0|2,0,0]=4 3344 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,2,0,0,0,0|2,0,0]=4 3345 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 3346 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,2,0,0,0,0|2,0,0]=4 3347 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,2,0,0,0,0|2,0,0]=4 3348 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,2,0,0,0,0|2,0,0]=4 3349 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,2,0,0,0,0|2,0,0]=4 3350 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3351 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,2,0,0,0,0|1,0,0]=3 3352 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 3353 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,2,0,0,0,0|2,0,0]=4 3355 B13R1.26 COC(COCF)c1ccccc1 34a_100011215540_100015361967 [0,2,0,0,0,0|0,1,0]=3 3356 B13R1.26 COC(COCF)c1ccccc1 7a_100011215540_100015361967 [0,2,0,0,0,0|0,1,0]=3 3357 B13R1.26 COCN[C@H](CO)c1ccccc1 2230a_100000751927_100000766300 [0,2,0,0,0,0|2,0,0]=4 3358 B13R1.26 CSCN[C@H](CO)c1ccccc1 2230a_100000751927_100011218213 [0,2,0,0,0,0|2,0,0]=4 3359 B13R1.26 CSCN[C@H](CO)c1ccccc1 34a_100000751927_100011218213 [0,2,0,0,0,0|2,0,0]=4 3360 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,2,0,0,0,0|1,1,0]=4 3361 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,2,0,0,0,0|1,1,0]=4 3362 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,2,0,0,0,0|1,1,0]=4 3363 B13R1.26 N#CC(OCCF)c1ccccc1 7a_100011217353_100011217306 [0,2,0,0,0,0|1,1,0]=4 3364 B13R1.26 N#CC(OCCO)c1ccccc1 7a_100011217353_100000211926 [0,2,0,0,0,0|2,0,0]=4 3365 B13R1.26 N#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215382 [0,2,0,0,0,0|1,0,1]=4 3366 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,2,0,0,0,0|1,1,0]=4 3367 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,2,0,0,0,0|2,0,0]=4 3368 B13R1.26 O=CCN[C@H](CO)c1ccccc1 2230a_100000751927_200015260668 [0,2,0,0,0,0|1,0,1]=4 3369 B13R1.26 O=CCN[C@H](CO)c1ccccc1 34a_100000751927_200009817547 [0,2,0,0,0,0|1,0,1]=4 3370 B13R1.26 OCC(NCCF)c1ccccn1 2230a_100015196888_100011217306 [0,2,0,0,0,0|1,1,0]=4 3371 B13R1.26 OCCNC(CO)c1ccccn1 2230a_100015196888_100000211926 [0,2,0,0,0,0|2,0,0]=4 3372 B13R1.26 OCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000211926 [0,2,0,0,0,0|1,0,0]=3 3373 B13R1.26 OCCN[C@H](CO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|1,0,0]=3 3374 B13R1.26 OCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000211926 [0,2,0,0,0,0|2,0,0]=4 3375 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,2,0,0,0,0|2,0,0]=4 3376 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 3377 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,2,0,0,0,0|2,0,0]=4 3378 B13R1.26 OC[C@@H](NCCF)c1ccccc1 2230a_100000751927_100011217306 [0,2,0,0,0,0|0,1,0]=3 3379 B13R1.26 OC[C@@H](NCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|0,1,0]=3 3380 B13R1.26 OC[C@@H](NCCF)c1ccncc1 2230a_100138412524_100011217306 [0,2,0,0,0,0|1,1,0]=4 3381 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 3382 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 3383 B13R1.173 CCCC(NC)c1ccccc1Cl 269862a_106832991636_100011400565 [0,2,0,0,0,0|2,0,0]=4 3384 B13R1.173 CCNC(CO)c1ccccc1Cl 2230a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 3385 B13R1.173 CCNC(CO)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 3386 B13R1.173 CCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 3387 B13R1.173 CCN[C@@H](CO)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 3388 B13R1.173 CCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 3389 B13R1.173 CCN[C@H](CO)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 3390 B13R1.173 CNC(CCO)c1ccccc1Cl 2230a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 3391 B13R1.173 CNC(CCO)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 3392 B13R1.173 CNC(CCO)c1ccccc1F 2230a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 3393 B13R1.173 CNC(CCO)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 3394 B13R1.173 OCC(NCF)c1ccccc1Cl 34a_100138412506_100015361967 [0,2,0,0,0,0|1,1,0]=4 3395 B13R1.173 OC[C@@H](NCF)c1ccccc1Br 34a_100161155918_100015361967 [0,2,0,0,0,0|1,1,0]=4 3396 B13R1.173 OC[C@H](NCF)c1ccccc1F 34a_100009818778_100015361967 [0,2,0,0,0,0|1,1,0]=4 3397 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 2230a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 3398 B13R1.173 [13CH3]NC(CCO)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 3399 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 2230a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 3400 B13R1.173 [13CH3]NC(CCO)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 3401 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 3402 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 3403 B13R1.398 C=CCC(OCF)c1ccccc1 34a_100000687291_100015361967 [0,2,0,0,0,0|1,0,1]=4 3404 B13R1.398 C=CCC(OCF)c1ccccc1 7a_100000687291_100015361967 [0,2,0,0,0,0|1,0,1]=4 3405 B13R1.398 CCCC(NCC)c1ccccc1 2230a_100000189686_100000210202 [0,2,0,0,0,0|2,0,0]=4 3406 B13R1.398 CCCC(NCC)c1ccccc1 269862a_100015525214_100000211045 [0,2,0,0,0,0|2,0,0]=4 3407 B13R1.398 CCCC(NCC)c1ccccc1 34a_100000189686_100000210202 [0,2,0,0,0,0|2,0,0]=4 3408 B13R1.398 CCCC(NCF)c1ccccc1 34a_100000189686_100015361967 [0,2,0,0,0,0|2,0,0]=4 3409 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,2,0,0,0,0|1,0,0]=3 3410 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,2,0,0,0,0|1,0,0]=3 3411 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [0,2,0,0,0,0|1,0,0]=3 3412 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [0,2,0,0,0,0|1,0,0]=3 3413 B13R1.398 CCCN(CCO)c1ccccc1 2230a_100000211345_100000210303 [0,2,0,0,0,0|2,0,0]=4 3414 B13R1.398 CCCN(CCO)c1ccccc1 2230a_200011218496_100000211926 [0,2,0,0,0,0|2,0,0]=4 3415 B13R1.398 CCCN(CCO)c1ccccc1 269982a_100000211345_100000210303 [0,2,0,0,0,0|2,0,0]=4 3416 B13R1.398 CCCN(CCO)c1ccccc1 269982a_200011218496_100000211926 [0,2,0,0,0,0|2,0,0]=4 3417 B13R1.398 CCCN(CCO)c1ccccc1 34a_100000211345_100000210303 [0,2,0,0,0,0|2,0,0]=4 3418 B13R1.398 CCCN(CCO)c1ccccc1 34a_200011218496_100000211926 [0,2,0,0,0,0|2,0,0]=4 3419 B13R1.398 CCCN(COC)c1ccccc1 2230a_200011218496_100000766300 [0,2,0,0,0,0|2,0,0]=4 3420 B13R1.398 CCCN(COC)c1ccccc1 269982a_200011218496_100000766300 [0,2,0,0,0,0|2,0,0]=4 3421 B13R1.398 CCNC(CCCl)c1ccccc1 2230a_100015525214_200010132975 [0,2,0,0,0,0|1,0,0]=3 3422 B13R1.398 CCNC(COC)c1ccccc1 269862a_100015525214_100000765260 [0,2,0,0,0,0|2,0,0]=4 3423 B13R1.398 CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210202 [0,2,0,0,0,0|2,0,0]=4 3424 B13R1.398 CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210202 [0,2,0,0,0,0|2,0,0]=4 3425 B13R1.398 CCN[C@H](COC)c1ccccc1 34a_103619048568_100000210202 [0,2,0,0,0,0|2,0,0]=4 3426 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,2,0,0,0,0|1,0,0]=3 3427 B13R1.398 CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210202 [0,2,0,0,0,0|1,0,1]=4 3428 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,2,0,0,0,0|0,0,0]=2 3429 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,2,0,0,0,0|0,0,0]=2 3430 B13R1.398 CCSC(CCCl)c1ccccc1 62a_100000210202_200010132975 [0,2,0,0,0,0|0,1,0]=3 3431 B13R1.398 CCSC(CCCl)c1ccccc1 62a_200010132975_100000210202 [0,2,0,0,0,0|0,1,0]=3 3432 B13R1.398 COCN(CCO)c1ccccc1 2230a_100000211345_100000766300 [0,2,0,0,0,0|2,0,0]=4 3433 B13R1.398 COCN(CCO)c1ccccc1 269982a_100000211345_100000766300 [0,2,0,0,0,0|2,0,0]=4 3434 B13R1.398 COC[C@@H](NCF)c1ccccc1 34a_103619048568_100015361967 [0,2,0,0,0,0|1,1,0]=4 3435 B13R1.398 FCO[C@H](CCCl)c1ccccc1 34a_100000729684_100015361967 [0,2,0,0,0,0|0,0,0]=2 3436 B13R1.398 FCO[C@H](CCCl)c1ccccc1 7a_100000729684_100015361967 [0,2,0,0,0,0|0,0,0]=2 3437 B13R1.398 FCSC(CCCl)c1ccccc1 62a_100015361967_200010132975 [0,2,0,0,0,0|0,1,0]=3 3438 B13R1.398 FCSC(CCCl)c1ccccc1 62a_200010132975_100015361967 [0,2,0,0,0,0|0,1,0]=3 3439 B13R1.398 N#CC[C@@H](OCF)c1ccccc1 7a_100009817555_100015361967 [0,2,0,0,0,0|1,0,1]=4 3440 B13R1.398 NCCC(OCF)c1ccccc1 34a_100000763605_100015361967 [0,2,0,0,0,0|1,0,0]=3 3441 B13R1.398 OCCN(CCF)c1ccccc1 2230a_100000211345_100011217306 [0,2,0,0,0,0|1,1,0]=4 3442 B13R1.398 OCCN(CCF)c1ccccc1 269982a_100000211345_100011217306 [0,2,0,0,0,0|1,1,0]=4 3443 B13R1.398 OCCN(CCF)c1ccccc1 34a_100000211345_100011217306 [0,2,0,0,0,0|1,1,0]=4 3444 B13R1.398 OCCN(CCO)c1ccccc1 2230a_100000211345_100000211926 [0,2,0,0,0,0|2,0,0]=4 3445 B13R1.398 OCCN(CCO)c1ccccc1 269982a_100000211345_100000211926 [0,2,0,0,0,0|2,0,0]=4 3446 B13R1.398 OCCN(CCO)c1ccccc1 34a_100000211345_100000211926 [0,2,0,0,0,0|2,0,0]=4 3447 B13R1.402 C=CCC(C)(OC)c1ccccc1 7a_200011216374_200000210301 [0,2,0,0,0,0|1,0,1]=4 3448 B13R1.402 C=CCC(C)(O[13CH3])c1ccccc1 7a_200011216374_200025704644 [0,2,0,0,0,0|1,0,1]=4 3449 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,2,0,0,0,0|1,0,0]=3 3450 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,2,0,0,0,0|1,0,0]=3 3451 B13R1.405 CC(=O)C(CCCl)c1ccccc1 1458a_100000070787_200010132975 [0,2,0,0,0,0|0,0,1]=3 3452 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [0,2,0,0,0,0|2,0,0]=4 3453 B13R1.405 CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 3454 B13R1.405 CN(C)C(CCCl)c1ccccc1 2230a_100102631434_200010132975 [0,2,0,0,0,0|1,0,0]=3 3455 B13R1.405 CN(C)C(CCCl)c1ccccc1 269982a_100102631434_200010132975 [0,2,0,0,0,0|1,0,0]=3 3456 B13R1.405 CNCC(C(=O)O)c1ccccc1 269956a_100000722792_200000210301 [0,2,0,0,0,0|2,0,0]=4 3457 B13R1.405 O=C(O)C(NCF)c1ccccc1 269956a_100000230147_100015361967 [0,2,0,0,0,0|1,1,0]=4 3458 B13R1.405 [13CH3]NCC(C(=O)O)c1ccccc1 269956a_100000722792_200025704644 [0,2,0,0,0,0|2,0,0]=4 3459 B13R1.532 CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210202 [0,2,0,0,0,0|1,0,1]=4 3460 B13R1.532 CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000210202 [0,2,0,0,0,0|1,0,1]=4 3461 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,2,0,0,0,0|2,0,0]=4 3462 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,2,0,0,0,0|2,0,0]=4 3463 B13R1.532 CO[C@@H](C(=O)CF)c1ccccc1 1458a_100000698336_100015361967 [0,2,0,0,0,0|0,1,1]=4 3464 B13R1.532 O=C(CF)C(CO)c1ccccc1 1458a_100011218805_100015361967 [0,2,0,0,0,0|0,1,1]=4 3465 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,2,0,0,0,0|1,0,1]=4 3466 B13R1.713 CC(C)C[C@H](N[13CH3])c1ccccc1 2230a_100016987908_200025704644 [0,2,0,0,0,0|2,0,0]=4 3467 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.713 CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 3469 B13R1.713 CNC(CC(C)C)c1ccccc1 269862a_106832991636_100000211545 [0,2,0,0,0,0|2,0,0]=4 3470 B13R1.713 CN[C@@H](CC(C)C)c1ccccc1 2230a_100016987908_200000210301 [0,2,0,0,0,0|2,0,0]=4 3471 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,2,0,0,0,0|1,0,1]=4 3472 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [0,2,0,0,0,0|1,0,0]=3 3473 B13R1.17 CC(CNCF)c1ccc(cc1)O 34a_200015188644_100015361967 [0,2,0,0,0,0|1,1,0]=4 3474 B13R1.17 CC(NCCF)c1ccc(cc1)Br 269862a_100000724931_100000185794 [0,2,0,0,0,0|1,1,0]=4 3475 B13R1.17 CC(NCCF)c1ccc(cc1)Br 34a_100000724931_100000755118 [0,2,0,0,0,0|1,1,0]=4 3476 B13R1.17 CC(NCCF)c1ccc(cc1)Cl 269862a_100000724931_100000185797 [0,2,0,0,0,0|1,1,0]=4 3477 B13R1.17 CC(NCCF)c1ccc(cc1)F 269862a_100000724931_100000185800 [0,2,0,0,0,0|1,1,0]=4 3478 B13R1.17 CC(NCCF)c1ccc(cc1)F 34a_100000724931_100000743420 [0,2,0,0,0,0|1,1,0]=4 3479 B13R1.17 CC(NCCF)c1ccc(cc1)I 269862a_100000724931_100000185465 [0,2,0,0,0,0|1,1,0]=4 3480 B13R1.17 CC(NCCO)c1ccc(cc1)Br 2230a_100016997473_100000755118 [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.17 CC(NCCO)c1ccc(cc1)Br 269862a_100000210304_100000185794 [0,2,0,0,0,0|2,0,0]=4 3482 B13R1.17 CC(NCCO)c1ccc(cc1)Br 34a_100016990907_100000755118 [0,2,0,0,0,0|2,0,0]=4 3483 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 2230a_100016997473_100000684792 [0,2,0,0,0,0|2,0,0]=4 3484 B13R1.17 CC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000185797 [0,2,0,0,0,0|2,0,0]=4 3485 B13R1.17 CC(NCCO)c1ccc(cc1)F 2230a_100016997473_100000743420 [0,2,0,0,0,0|2,0,0]=4 3486 B13R1.17 CC(NCCO)c1ccc(cc1)F 269862a_100000210304_100000185800 [0,2,0,0,0,0|2,0,0]=4 3487 B13R1.17 CC(NCCO)c1ccc(cc1)F 34a_100016990907_100000743420 [0,2,0,0,0,0|2,0,0]=4 3488 B13R1.17 CC(NCCO)c1ccc(cc1)I 269862a_100000210304_100000185465 [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.17 CC(OCCBr)c1ccc(cc1)Br 34a_100000211926_100000755118 [0,2,0,0,0,0|1,1,0]=4 3490 B13R1.17 CC(OCCBr)c1ccc(cc1)F 34a_100000211926_100000743420 [0,2,0,0,0,0|1,1,0]=4 3491 B13R1.17 CC(OCCF)c1ccc(cc1)Br 34a_100000745893_100011217306 [0,2,0,0,0,0|1,1,0]=4 3492 B13R1.17 CC(OCCF)c1ccc(cc1)Br 7a_100000745893_100011217306 [0,2,0,0,0,0|1,1,0]=4 3493 B13R1.17 CC(OCCF)c1ccc(cc1)F 34a_100000181323_100011217306 [0,2,0,0,0,0|1,1,0]=4 3494 B13R1.17 CC(OCCF)c1ccc(cc1)F 7a_100000181323_100011217306 [0,2,0,0,0,0|1,1,0]=4 3495 B13R1.17 CC(OCCF)c1ccc(cc1)N 34a_100011216399_100011217306 [0,2,0,0,0,0|1,1,0]=4 3496 B13R1.17 CC(OCCN)c1ccc(cc1)Br 34a_100000210304_100000755118 [0,2,0,0,0,0|2,0,0]=4 3497 B13R1.17 CC(OCCN)c1ccc(cc1)F 34a_100000210304_100000743420 [0,2,0,0,0,0|2,0,0]=4 3498 B13R1.17 CC(OCCO)c1ccc(cc1)Br 34a_100000745893_100000211926 [0,2,0,0,0,0|2,0,0]=4 3499 B13R1.17 CC(OCCO)c1ccc(cc1)Br 7a_100000745893_100000211926 [0,2,0,0,0,0|2,0,0]=4 3500 B13R1.17 CC(OCCO)c1ccc(cc1)F 34a_100000181323_100000211926 [0,2,0,0,0,0|2,0,0]=4 3501 B13R1.17 CC(OCCO)c1ccc(cc1)F 7a_100000181323_100000211926 [0,2,0,0,0,0|2,0,0]=4 3502 B13R1.17 CC(OCCO)c1ccc(cc1)N 34a_100011216399_100000211926 [0,2,0,0,0,0|2,0,0]=4 3503 B13R1.17 CC(SCCF)c1ccc(cc1)Br 62a_100000755118_100011217306 [0,2,0,0,0,0|1,1,0]=4 3504 B13R1.17 CC(SCCF)c1ccc(cc1)Br 62a_100011217306_100000755118 [0,2,0,0,0,0|1,1,0]=4 3505 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100000684792_100011217306 [0,2,0,0,0,0|1,1,0]=4 3506 B13R1.17 CC(SCCF)c1ccc(cc1)Cl 62a_100011217306_100000684792 [0,2,0,0,0,0|1,1,0]=4 3507 B13R1.17 CC(SCCF)c1ccc(cc1)F 62a_100000743420_100011217306 [0,2,0,0,0,0|1,1,0]=4 3508 B13R1.17 CC(SCCF)c1ccc(cc1)F 62a_100011217306_100000743420 [0,2,0,0,0,0|1,1,0]=4 3509 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000211926_100000755118 [0,2,0,0,0,0|2,0,0]=4 3510 B13R1.17 CC(SCCO)c1ccc(cc1)Br 62a_100000755118_100000211926 [0,2,0,0,0,0|2,0,0]=4 3511 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000211926_100000684792 [0,2,0,0,0,0|2,0,0]=4 3512 B13R1.17 CC(SCCO)c1ccc(cc1)Cl 62a_100000684792_100000211926 [0,2,0,0,0,0|2,0,0]=4 3513 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000211926_100000743420 [0,2,0,0,0,0|2,0,0]=4 3514 B13R1.17 CC(SCCO)c1ccc(cc1)F 62a_100000743420_100000211926 [0,2,0,0,0,0|2,0,0]=4 3515 B13R1.17 CCCNC(C)c1ccc(cc1)Br 269862a_100020643023_100000185794 [0,2,0,0,0,0|2,0,0]=4 3516 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,2,0,0,0,0|2,0,0]=4 3517 B13R1.17 CCCNC(C)c1ccc(cc1)Cl 269862a_100020643023_100000185797 [0,2,0,0,0,0|2,0,0]=4 3518 B13R1.17 CCCNC(C)c1ccc(cc1)F 269862a_100020643023_100000185800 [0,2,0,0,0,0|2,0,0]=4 3519 B13R1.17 CCCNC(C)c1ccc(cc1)I 269862a_100020643023_100000185465 [0,2,0,0,0,0|2,0,0]=4 3520 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210303 [0,2,0,0,0,0|2,0,0]=4 3521 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210303 [0,2,0,0,0,0|2,0,0]=4 3522 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210303 [0,2,0,0,0,0|2,0,0]=4 3523 B13R1.17 CCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210303 [0,2,0,0,0,0|2,0,0]=4 3524 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210303 [0,2,0,0,0,0|2,0,0]=4 3525 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,2,0,0,0,0|2,0,0]=4 3526 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,2,0,0,0,0|2,0,0]=4 3527 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 3528 B13R1.17 CCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210303 [0,2,0,0,0,0|2,0,0]=4 3529 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,2,0,0,0,0|2,0,0]=4 3530 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,2,0,0,0,0|2,0,0]=4 3531 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,2,0,0,0,0|2,0,0]=4 3532 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,2,0,0,0,0|2,0,0]=4 3533 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,2,0,0,0,0|2,0,0]=4 3534 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,2,0,0,0,0|2,0,0]=4 3535 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,2,0,0,0,0|2,0,0]=4 3536 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,2,0,0,0,0|2,0,0]=4 3537 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,2,0,0,0,0|2,0,0]=4 3538 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,2,0,0,0,0|2,0,0]=4 3539 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 3540 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,2,0,0,0,0|2,0,0]=4 3541 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000210303_100000755118 [0,2,0,0,0,0|2,0,0]=4 3542 B13R1.17 CCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210303 [0,2,0,0,0,0|2,0,0]=4 3543 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000210303_100000684792 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.17 CCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210303 [0,2,0,0,0,0|2,0,0]=4 3547 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000210303_100000743420 [0,2,0,0,0,0|2,0,0]=4 3548 B13R1.17 CCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210303 [0,2,0,0,0,0|2,0,0]=4 3549 B13R1.17 CCNCC(C)c1ccc(cc1)O 34a_200015188644_100000210202 [0,2,0,0,0,0|2,0,0]=4 3550 B13R1.17 CCNCC(O)c1ccc(cc1)Br 2230a_100020626992_100000210202 [0,2,0,0,0,0|1,0,0]=3 3551 B13R1.17 CCNCC(O)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,2,0,0,0,0|1,0,0]=3 3552 B13R1.17 CCNCC(O)c1ccc(cc1)C 2230a_200020610344_100000210202 [0,2,0,0,0,0|1,0,0]=3 3553 B13R1.17 CCNCC(O)c1ccc(cc1)C 34a_200020610344_100000210202 [0,2,0,0,0,0|1,0,0]=3 3554 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100000736658_100000210202 [0,2,0,0,0,0|1,0,0]=3 3555 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 2230a_100015525214_200011996143 [0,2,0,0,0,0|1,0,0]=3 3556 B13R1.17 CCNCC(O)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|1,0,0]=3 3557 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [0,2,0,0,0,0|1,0,0]=3 3558 B13R1.17 CCNC[C@H](O)c1ccc(cc1)F 2230a_100015525214_100000720402 [0,2,0,0,0,0|1,0,0]=3 3559 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,2,0,0,0,0|2,0,0]=4 3560 B13R1.17 CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210202 [0,2,0,0,0,0|2,0,0]=4 3561 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,2,0,0,0,0|1,0,0]=3 3562 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|2,0,0]=4 3563 B13R1.17 CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|2,0,0]=4 3564 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [0,2,0,0,0,0|1,0,0]=3 3565 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_100000210202_200011996143 [0,2,0,0,0,0|1,0,0]=3 3566 B13R1.17 CCSCC(O)c1ccc(cc1)Cl 62a_200011996143_100000210202 [0,2,0,0,0,0|1,0,0]=3 3567 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000210202_100000720402 [0,2,0,0,0,0|1,0,0]=3 3568 B13R1.17 CCSC[C@H](O)c1ccc(cc1)F 62a_100000720402_100000210202 [0,2,0,0,0,0|1,0,0]=3 3569 B13R1.17 COCCC(N)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3570 B13R1.17 COCCC(N)c1ccc(cc1)Cl 34a_100000730317_200000210301 [0,2,0,0,0,0|2,0,0]=4 3571 B13R1.17 COCCC(N)c1ccc(cc1)F 34a_100000752280_200000210301 [0,2,0,0,0,0|2,0,0]=4 3572 B13R1.17 COCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3573 B13R1.17 COCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200000210301 [0,2,0,0,0,0|2,0,0]=4 3574 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Br 2230a_100000720352_100011217306 [0,2,0,0,0,0|1,1,0]=4 3575 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 2230a_100015205461_100011217306 [0,2,0,0,0,0|1,1,0]=4 3576 B13R1.17 C[C@@H](NCCF)c1ccc(cc1)Cl 34a_100015205461_100011217306 [0,2,0,0,0,0|1,1,0]=4 3577 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Br 2230a_100000720352_100000211926 [0,2,0,0,0,0|2,0,0]=4 3578 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 2230a_100015205461_100000211926 [0,2,0,0,0,0|2,0,0]=4 3579 B13R1.17 C[C@@H](NCCO)c1ccc(cc1)Cl 34a_100015205461_100000211926 [0,2,0,0,0,0|2,0,0]=4 3580 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 2230a_100025705893_100011217306 [0,2,0,0,0,0|1,1,0]=4 3581 B13R1.17 C[C@H](NCCF)c1ccc(cc1)F 34a_100025705893_100011217306 [0,2,0,0,0,0|1,1,0]=4 3582 B13R1.17 C[C@H](NCCF)c1ccc(cc1)I 2230a_100000753911_100011217306 [0,2,0,0,0,0|1,1,0]=4 3583 B13R1.17 C[C@H](NCCF)c1ccc(cc1)O 2230a_100161106496_100011217306 [0,2,0,0,0,0|1,1,0]=4 3584 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 2230a_100025705893_100000211926 [0,2,0,0,0,0|2,0,0]=4 3585 B13R1.17 C[C@H](NCCO)c1ccc(cc1)F 34a_100025705893_100000211926 [0,2,0,0,0,0|2,0,0]=4 3586 B13R1.17 C[C@H](NCCO)c1ccc(cc1)I 2230a_100000753911_100000211926 [0,2,0,0,0,0|2,0,0]=4 3587 B13R1.17 C[C@H](NCCO)c1ccc(cc1)O 2230a_100161106496_100000211926 [0,2,0,0,0,0|2,0,0]=4 3588 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 34a_100011852131_100011217306 [0,2,0,0,0,0|1,1,0]=4 3589 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 7a_100011852131_100011217306 [0,2,0,0,0,0|1,1,0]=4 3590 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [0,2,0,0,0,0|2,0,0]=4 3591 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [0,2,0,0,0,0|2,0,0]=4 3592 B13R1.17 Cc1ccc(cc1)C(C)NCCF 269862a_100000724931_100000185793 [0,2,0,0,0,0|1,1,0]=4 3593 B13R1.17 Cc1ccc(cc1)C(C)NCCF 34a_100000724931_100011261388 [0,2,0,0,0,0|1,1,0]=4 3594 B13R1.17 Cc1ccc(cc1)C(C)NCCO 2230a_100016997473_100011261388 [0,2,0,0,0,0|2,0,0]=4 3595 B13R1.17 Cc1ccc(cc1)C(C)NCCO 269862a_100000210304_100000185793 [0,2,0,0,0,0|2,0,0]=4 3596 B13R1.17 Cc1ccc(cc1)C(C)NCCO 34a_100016990907_100011261388 [0,2,0,0,0,0|2,0,0]=4 3597 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,2,0,0,0,0|1,1,0]=4 3598 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,2,0,0,0,0|2,0,0]=4 3599 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011217306_100011261388 [0,2,0,0,0,0|1,1,0]=4 3600 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011261388_100011217306 [0,2,0,0,0,0|1,1,0]=4 3601 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100000211926_100011261388 [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100011261388_100000211926 [0,2,0,0,0,0|2,0,0]=4 3603 B13R1.17 Cc1ccc(cc1)C(N)CCO[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3604 B13R1.17 Cc1ccc(cc1)C(O)CNCF 34a_200020610344_100015361967 [0,2,0,0,0,0|0,1,0]=3 3605 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 2230a_100016988085_100011217306 [0,2,0,0,0,0|1,1,0]=4 3606 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 34a_100016988085_100011217306 [0,2,0,0,0,0|1,1,0]=4 3607 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 2230a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 3608 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 34a_100016988085_100000211926 [0,2,0,0,0,0|2,0,0]=4 3609 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,2,0,0,0,0|1,1,0]=4 3610 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,2,0,0,0,0|1,1,0]=4 3611 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,2,0,0,0,0|2,0,0]=4 3612 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,2,0,0,0,0|2,0,0]=4 3613 B13R1.17 Cc1ccc(cc1)[C@@H](N)COCF 34a_100009818840_100015361967 [0,2,0,0,0,0|1,1,0]=4 3614 B13R1.17 NC(COCF)c1ccc(cc1)Br 34a_100000734186_100015361967 [0,2,0,0,0,0|1,1,0]=4 3615 B13R1.17 NC(COCF)c1ccc(cc1)F 34a_100000705410_100015361967 [0,2,0,0,0,0|1,1,0]=4 3616 B13R1.17 N[C@H](COCF)c1ccc(cc1)Cl 34a_100009818818_100015361967 [0,2,0,0,0,0|1,1,0]=4 3617 B13R1.17 OC(CNCF)c1ccc(cc1)Br 34a_100020626992_100015361967 [0,2,0,0,0,0|0,1,0]=3 3618 B13R1.17 OC(CNCF)c1ccc(cc1)Cl 34a_100000736658_100015361967 [0,2,0,0,0,0|0,1,0]=3 3619 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_100015361967_200011996143 [0,2,0,0,0,0|0,1,0]=3 3620 B13R1.17 OC(CSCF)c1ccc(cc1)Cl 62a_200011996143_100015361967 [0,2,0,0,0,0|0,1,0]=3 3621 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100000720402_100015361967 [0,2,0,0,0,0|0,1,0]=3 3622 B13R1.17 O[C@@H](CSCF)c1ccc(cc1)F 62a_100015361967_100000720402 [0,2,0,0,0,0|0,1,0]=3 3623 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [0,2,0,0,0,0|0,1,0]=3 3624 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)Cl 34a_100000730317_200025704644 [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.17 [13CH3]OCCC(N)c1ccc(cc1)F 34a_100000752280_200025704644 [0,2,0,0,0,0|2,0,0]=4 3626 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)Br 34a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3627 B13R1.17 [13CH3]OCC[C@H](N)c1ccc(cc1)N 34a_200020642056_200025704644 [0,2,0,0,0,0|2,0,0]=4 3628 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 3629 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,2,0,0,0,0|2,0,0]=4 3630 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 34a_217856618577_100011217306 [0,2,0,0,0,0|1,1,0]=4 3631 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 7a_217856618577_100011217306 [0,2,0,0,0,0|1,1,0]=4 3632 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 34a_217856618577_100000211926 [0,2,0,0,0,0|2,0,0]=4 3633 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 7a_217856618577_100000211926 [0,2,0,0,0,0|2,0,0]=4 3634 B13R1.21 CCC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_100000210202 [0,2,0,0,0,0|1,0,1]=4 3635 B13R1.21 CCC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_100000210202 [0,2,0,0,0,0|1,0,1]=4 3636 B13R1.21 CCC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_100000210202 [0,2,0,0,0,0|1,0,1]=4 3637 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_100000210202 [0,2,0,0,0,0|1,0,1]=4 3638 B13R1.21 CCC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100000210202 [0,2,0,0,0,0|1,0,1]=4 3639 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200000210301 [0,2,0,0,0,0|2,0,0]=4 3640 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200000210301 [0,2,0,0,0,0|2,0,0]=4 3641 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200025704644 [0,2,0,0,0,0|2,0,0]=4 3642 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,2,0,0,0,0|2,0,0]=4 3643 B13R1.21 Cc1ccc(cc1)[C@@H](O)C(=O)CF 1458a_100009815954_100015361967 [0,2,0,0,0,0|0,1,1]=4 3644 B13R1.21 O=C(CF)C(O)c1ccc(cc1)Br 1458a_100000756554_100015361967 [0,2,0,0,0,0|0,1,1]=4 3645 B13R1.21 O=C(CF)C(O)c1ccc(cc1)F 1458a_100000209909_100015361967 [0,2,0,0,0,0|0,1,1]=4 3646 B13R1.21 O=C(CF)C(O)c1ccc(cc1)O 1458a_100011215213_100015361967 [0,2,0,0,0,0|0,1,1]=4 3647 B13R1.21 O=C(CF)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_100015361967 [0,2,0,0,0,0|0,1,1]=4 3648 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,2,0,0,0,0|1,0,1]=4 3649 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,2,0,0,0,0|1,0,1]=4 3650 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Br 271570a_100015190218_100000752885 [0,2,0,0,0,0|2,0,0]=4 3651 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)Cl 271570a_100015190218_100000755918 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)F 271570a_100015190218_100000211213 [0,2,0,0,0,0|2,0,0]=4 3653 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)N 271570a_100015190218_100000185761 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.132 CC(C)C[C@H](N)c1ccc(cc1)O 271570a_100015190218_100000185759 [0,2,0,0,0,0|2,0,0]=4 3655 B13R1.132 CN(C)CC(O)c1ccc(cc1)Cl 2230a_100102631434_200011996143 [0,2,0,0,0,0|2,0,0]=4 3656 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [0,2,0,0,0,0|2,0,0]=4 3657 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [0,2,0,0,0,0|2,0,0]=4 3658 B13R1.132 CN(C)C[C@H](O)c1ccc(cc1)F 2230a_100102631434_100000720402 [0,2,0,0,0,0|2,0,0]=4 3659 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [0,2,0,0,0,0|2,0,0]=4 3660 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [0,2,0,0,0,0|2,0,0]=4 3661 B13R1.132 Cc1ccc(cc1)[C@@H](N)CC(C)C 271570a_100015190218_100000186775 [0,2,0,0,0,0|2,0,0]=4 3662 B13R1.452 C=CCC(O)c1ccc(cc1)C=C 271570a_100011290941_100011466436 [0,2,0,0,0,0|1,0,1]=4 3663 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_100011466436_200000210301 [0,2,0,0,0,0|1,0,1]=4 3664 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_200000210301_100011466436 [0,2,0,0,0,0|1,0,1]=4 3665 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_100011466436_200025704644 [0,2,0,0,0,0|1,0,1]=4 3666 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011466436 [0,2,0,0,0,0|1,0,1]=4 3667 B13R1.452 C=Cc1ccc(cc1)C(O)CCC 271570a_100011290941_100011350873 [0,2,0,0,0,0|1,0,0]=3 3668 B13R1.452 C=Cc1ccc(cc1)[C@@H](N)CCO 271570a_100011290941_102125605589 [0,2,0,0,0,0|2,0,0]=4 3669 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_100011350873_200000210301 [0,2,0,0,0,0|1,0,0]=3 3670 B13R1.452 CCCC(O)c1ccc(cc1)SC 62a_200000210301_100011350873 [0,2,0,0,0,0|1,0,0]=3 3671 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_100011350873_200025704644 [0,2,0,0,0,0|1,0,0]=3 3672 B13R1.452 CCCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011350873 [0,2,0,0,0,0|1,0,0]=3 3673 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,2,0,0,0,0|2,0,0]=4 3674 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|2,0,0]=4 3675 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,2,0,0,0,0|2,0,0]=4 3676 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,2,0,0,0,0|2,0,0]=4 3677 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,2,0,0,0,0|0,0,2]=4 3678 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,2,0,0,0,0|2,0,0]=4 3679 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|2,0,0]=4 3680 B13R1.452 CSc1ccc(cc1)[C@@H](N)CCO 62a_102125605589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3681 B13R1.452 CSc1ccc(cc1)[C@@H](N)CCO 62a_200000210301_102125605589 [0,2,0,0,0,0|2,0,0]=4 3682 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,2,0,0,0,0|0,0,2]=4 3683 B13R1.452 [13CH3]Sc1ccc(cc1)[C@@H](N)CCO 62a_102125605589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3684 B13R1.452 [13CH3]Sc1ccc(cc1)[C@@H](N)CCO 62a_200025704644_102125605589 [0,2,0,0,0,0|2,0,0]=4 3685 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [0,2,0,0,0,0|2,0,0]=4 3686 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 2230a_106832991635_100000761251 [0,2,0,0,0,0|2,0,0]=4 3687 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 34a_100102657272_100000761251 [0,2,0,0,0,0|2,0,0]=4 3688 B13R1.466 CNC[C@@H](O)c1ccc(c(c1)F)F 7a_106832991635_100000761251 [0,2,0,0,0,0|2,0,0]=4 3689 B13R1.466 COC[C@@H](O)c1ccc(c(c1)F)F 34a_100138415774_100000761251 [0,2,0,0,0,0|2,0,0]=4 3690 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_100000761251_200000210301 [0,2,0,0,0,0|2,0,0]=4 3691 B13R1.466 CSC[C@@H](O)c1ccc(c(c1)F)F 62a_200000210301_100000761251 [0,2,0,0,0,0|2,0,0]=4 3692 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [0,2,0,0,0,0|2,0,0]=4 3693 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 3694 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 3695 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 2230a_106832991635_100000761269 [0,2,0,0,0,0|2,0,0]=4 3696 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 34a_100102657272_100000761269 [0,2,0,0,0,0|2,0,0]=4 3697 B13R1.1511 CNC[C@@H](O)c1ccc(cc1F)F 7a_106832991635_100000761269 [0,2,0,0,0,0|2,0,0]=4 3698 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 2230a_106832991635_100000761231 [0,2,0,0,0,0|2,0,0]=4 3699 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 34a_100102657272_100000761231 [0,2,0,0,0,0|2,0,0]=4 3700 B13R1.1511 CNC[C@H](O)c1ccc(cc1Cl)Cl 7a_106832991635_100000761231 [0,2,0,0,0,0|2,0,0]=4 3701 B13R1.1511 COC[C@@H](O)c1ccc(cc1F)F 34a_100138415774_100000761269 [0,2,0,0,0,0|2,0,0]=4 3702 B13R1.1511 COC[C@H](O)c1ccc(cc1Cl)Cl 34a_100138415774_100000761231 [0,2,0,0,0,0|2,0,0]=4 3703 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200000210301 [0,2,0,0,0,0|2,0,0]=4 3704 B13R1.1511 CSC[C@@H](O)c1ccc(cc1F)F 62a_200000210301_100000761269 [0,2,0,0,0,0|2,0,0]=4 3705 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200000210301 [0,2,0,0,0,0|2,0,0]=4 3706 B13R1.1511 CSC[C@H](O)c1ccc(cc1Cl)Cl 62a_200000210301_100000761231 [0,2,0,0,0,0|2,0,0]=4 3707 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_100000761269_200025704644 [0,2,0,0,0,0|2,0,0]=4 3708 B13R1.1511 [13CH3]SC[C@@H](O)c1ccc(cc1F)F 62a_200025704644_100000761269 [0,2,0,0,0,0|2,0,0]=4 3709 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_100000761231_200025704644 [0,2,0,0,0,0|2,0,0]=4 3710 B13R1.1511 [13CH3]SC[C@H](O)c1ccc(cc1Cl)Cl 62a_200025704644_100000761231 [0,2,0,0,0,0|2,0,0]=4 3711 B13R1.18 CC(NCCF)c1cccc(c1)Br 2230a_100020642005_100011217306 [0,2,0,0,0,0|1,1,0]=4 3712 B13R1.18 CC(NCCF)c1cccc(c1)Br 269862a_100000724931_100000210093 [0,2,0,0,0,0|1,1,0]=4 3713 B13R1.18 CC(NCCF)c1cccc(c1)Cl 2230a_100102723534_100011217306 [0,2,0,0,0,0|1,1,0]=4 3714 B13R1.18 CC(NCCF)c1cccc(c1)Cl 269862a_100000724931_200000210964 [0,2,0,0,0,0|1,1,0]=4 3715 B13R1.18 CC(NCCF)c1cccc(c1)Cl 34a_100102723534_100011217306 [0,2,0,0,0,0|1,1,0]=4 3716 B13R1.18 CC(NCCF)c1cccc(c1)F 269862a_100000724931_100000187083 [0,2,0,0,0,0|1,1,0]=4 3717 B13R1.18 CC(NCCF)c1cccc(c1)I 269862a_100000724931_100011356966 [0,2,0,0,0,0|1,1,0]=4 3718 B13R1.18 CC(NCCF)c1cccc(c1)O 2230a_100000740644_100011217306 [0,2,0,0,0,0|1,1,0]=4 3719 B13R1.18 CC(NCCF)c1cccc(c1)O 269862a_100000724931_100000211620 [0,2,0,0,0,0|1,1,0]=4 3720 B13R1.18 CC(NCCO)c1cccc(c1)Br 2230a_100020642005_100000211926 [0,2,0,0,0,0|2,0,0]=4 3721 B13R1.18 CC(NCCO)c1cccc(c1)Br 269862a_100000210304_100000210093 [0,2,0,0,0,0|2,0,0]=4 3722 B13R1.18 CC(NCCO)c1cccc(c1)Cl 2230a_100102723534_100000211926 [0,2,0,0,0,0|2,0,0]=4 3723 B13R1.18 CC(NCCO)c1cccc(c1)Cl 269862a_100000210304_200000210964 [0,2,0,0,0,0|2,0,0]=4 3724 B13R1.18 CC(NCCO)c1cccc(c1)Cl 34a_100102723534_100000211926 [0,2,0,0,0,0|2,0,0]=4 3725 B13R1.18 CC(NCCO)c1cccc(c1)F 269862a_100000210304_100000187083 [0,2,0,0,0,0|2,0,0]=4 3726 B13R1.18 CC(NCCO)c1cccc(c1)I 269862a_100000210304_100011356966 [0,2,0,0,0,0|2,0,0]=4 3727 B13R1.18 CC(NCCO)c1cccc(c1)O 2230a_100000740644_100000211926 [0,2,0,0,0,0|2,0,0]=4 3728 B13R1.18 CC(NCCO)c1cccc(c1)O 269862a_100000210304_100000211620 [0,2,0,0,0,0|2,0,0]=4 3729 B13R1.18 CC(OCCF)c1cccc(c1)Br 34a_100000246457_100011217306 [0,2,0,0,0,0|1,1,0]=4 3730 B13R1.18 CC(OCCF)c1cccc(c1)Br 7a_100000246457_100011217306 [0,2,0,0,0,0|1,1,0]=4 3731 B13R1.18 CC(OCCF)c1cccc(c1)F 34a_100000744526_100011217306 [0,2,0,0,0,0|1,1,0]=4 3732 B13R1.18 CC(OCCF)c1cccc(c1)F 7a_100000744526_100011217306 [0,2,0,0,0,0|1,1,0]=4 3733 B13R1.18 CC(OCCF)c1cccc(c1)I 34a_100013085317_100011217306 [0,2,0,0,0,0|1,1,0]=4 3734 B13R1.18 CC(OCCF)c1cccc(c1)I 7a_100013085317_100011217306 [0,2,0,0,0,0|1,1,0]=4 3735 B13R1.18 CC(OCCF)c1cccc(c1)N 34a_100011217120_100011217306 [0,2,0,0,0,0|1,1,0]=4 3736 B13R1.18 CC(OCCF)c1cccc(c1)N 7a_100011217120_100011217306 [0,2,0,0,0,0|1,1,0]=4 3737 B13R1.18 CC(OCCO)c1cccc(c1)Br 34a_100000246457_100000211926 [0,2,0,0,0,0|2,0,0]=4 3738 B13R1.18 CC(OCCO)c1cccc(c1)Br 7a_100000246457_100000211926 [0,2,0,0,0,0|2,0,0]=4 3739 B13R1.18 CC(OCCO)c1cccc(c1)F 34a_100000744526_100000211926 [0,2,0,0,0,0|2,0,0]=4 3740 B13R1.18 CC(OCCO)c1cccc(c1)F 7a_100000744526_100000211926 [0,2,0,0,0,0|2,0,0]=4 3741 B13R1.18 CC(OCCO)c1cccc(c1)I 34a_100013085317_100000211926 [0,2,0,0,0,0|2,0,0]=4 3742 B13R1.18 CC(OCCO)c1cccc(c1)I 7a_100013085317_100000211926 [0,2,0,0,0,0|2,0,0]=4 3743 B13R1.18 CC(OCCO)c1cccc(c1)N 34a_100011217120_100000211926 [0,2,0,0,0,0|2,0,0]=4 3744 B13R1.18 CC(OCCO)c1cccc(c1)N 7a_100011217120_100000211926 [0,2,0,0,0,0|2,0,0]=4 3745 B13R1.18 CCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210303 [0,2,0,0,0,0|2,0,0]=4 3746 B13R1.18 CCCNC(C)c1cccc(c1)Br 269862a_100020643023_100000210093 [0,2,0,0,0,0|2,0,0]=4 3747 B13R1.18 CCCNC(C)c1cccc(c1)C 269862a_100020643023_100000211476 [0,2,0,0,0,0|2,0,0]=4 3748 B13R1.18 CCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210303 [0,2,0,0,0,0|2,0,0]=4 3749 B13R1.18 CCCNC(C)c1cccc(c1)Cl 269862a_100020643023_200000210964 [0,2,0,0,0,0|2,0,0]=4 3750 B13R1.18 CCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210303 [0,2,0,0,0,0|2,0,0]=4 3751 B13R1.18 CCCNC(C)c1cccc(c1)F 269862a_100020643023_100000187083 [0,2,0,0,0,0|2,0,0]=4 3752 B13R1.18 CCCNC(C)c1cccc(c1)I 269862a_100020643023_100011356966 [0,2,0,0,0,0|2,0,0]=4 3753 B13R1.18 CCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210303 [0,2,0,0,0,0|2,0,0]=4 3754 B13R1.18 CCCNC(C)c1cccc(c1)O 269862a_100020643023_100000211620 [0,2,0,0,0,0|2,0,0]=4 3755 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210303 [0,2,0,0,0,0|2,0,0]=4 3756 B13R1.18 CCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210303 [0,2,0,0,0,0|2,0,0]=4 3757 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210303 [0,2,0,0,0,0|2,0,0]=4 3758 B13R1.18 CCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210303 [0,2,0,0,0,0|2,0,0]=4 3759 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,2,0,0,0,0|2,0,0]=4 3760 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,2,0,0,0,0|2,0,0]=4 3761 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,2,0,0,0,0|2,0,0]=4 3762 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,2,0,0,0,0|2,0,0]=4 3763 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,2,0,0,0,0|2,0,0]=4 3764 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,2,0,0,0,0|2,0,0]=4 3765 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,2,0,0,0,0|2,0,0]=4 3766 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,2,0,0,0,0|2,0,0]=4 3767 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,2,0,0,0,0|2,0,0]=4 3768 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,2,0,0,0,0|2,0,0]=4 3769 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,2,0,0,0,0|2,0,0]=4 3770 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,2,0,0,0,0|2,0,0]=4 3771 B13R1.18 CCNCC(O)c1cccc(c1)O 2230a_100020657549_100000210202 [0,2,0,0,0,0|1,0,0]=3 3772 B13R1.18 CCNCC(O)c1cccc(c1)O 34a_100020657549_100000210202 [0,2,0,0,0,0|1,0,0]=3 3773 B13R1.18 CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210202 [0,2,0,0,0,0|2,0,0]=4 3774 B13R1.18 CCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210202 [0,2,0,0,0,0|2,0,0]=4 3775 B13R1.18 CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210202 [0,2,0,0,0,0|2,0,0]=4 3776 B13R1.18 CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,2,0,0,0,0|2,0,0]=4 3777 B13R1.18 COCCC(N)c1cccc(c1)Br 34a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 3778 B13R1.18 COCCC(N)c1cccc(c1)C 34a_100011661531_200000210301 [0,2,0,0,0,0|2,0,0]=4 3779 B13R1.18 COCCC(N)c1cccc(c1)Cl 34a_200011661548_200000210301 [0,2,0,0,0,0|2,0,0]=4 3780 B13R1.18 COCCC(N)c1cccc(c1)F 34a_100011661530_200000210301 [0,2,0,0,0,0|2,0,0]=4 3781 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 2230a_100015193778_100011217306 [0,2,0,0,0,0|1,1,0]=4 3782 B13R1.18 C[C@@H](NCCF)c1cccc(c1)F 34a_100015193778_100011217306 [0,2,0,0,0,0|1,1,0]=4 3783 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 2230a_100015193778_100000211926 [0,2,0,0,0,0|2,0,0]=4 3784 B13R1.18 C[C@@H](NCCO)c1cccc(c1)F 34a_100015193778_100000211926 [0,2,0,0,0,0|2,0,0]=4 3785 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 34a_100000747380_100011217306 [0,2,0,0,0,0|1,1,0]=4 3786 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 7a_100000747380_100011217306 [0,2,0,0,0,0|1,1,0]=4 3787 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 34a_100000747380_100000211926 [0,2,0,0,0,0|2,0,0]=4 3788 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 7a_100000747380_100000211926 [0,2,0,0,0,0|2,0,0]=4 3789 B13R1.18 Cc1cccc(c1)C(C)NCCF 269862a_100000724931_100000211476 [0,2,0,0,0,0|1,1,0]=4 3790 B13R1.18 Cc1cccc(c1)C(C)NCCO 269862a_100000210304_100000211476 [0,2,0,0,0,0|2,0,0]=4 3791 B13R1.18 Cc1cccc(c1)C(C)OCCF 34a_100000757818_100011217306 [0,2,0,0,0,0|1,1,0]=4 3792 B13R1.18 Cc1cccc(c1)C(C)OCCF 7a_100000757818_100011217306 [0,2,0,0,0,0|1,1,0]=4 3793 B13R1.18 Cc1cccc(c1)C(C)OCCO 34a_100000757818_100000211926 [0,2,0,0,0,0|2,0,0]=4 3794 B13R1.18 Cc1cccc(c1)C(C)OCCO 7a_100000757818_100000211926 [0,2,0,0,0,0|2,0,0]=4 3795 B13R1.18 Cc1cccc(c1)C(N)CCO[13CH3] 34a_100011661531_200025704644 [0,2,0,0,0,0|2,0,0]=4 3796 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 2230a_100000698126_100011217306 [0,2,0,0,0,0|1,1,0]=4 3797 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCF 34a_100000698126_100011217306 [0,2,0,0,0,0|1,1,0]=4 3798 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 2230a_100000698126_100000211926 [0,2,0,0,0,0|2,0,0]=4 3799 B13R1.18 Cc1cccc(c1)[C@@H](C)NCCO 34a_100000698126_100000211926 [0,2,0,0,0,0|2,0,0]=4 3800 B13R1.18 Cc1cccc(c1)[C@H](N)COCF 34a_100009818812_100015361967 [0,2,0,0,0,0|1,1,0]=4 3801 B13R1.18 NC(COCF)c1cccc(c1)Br 34a_100000690078_100015361967 [0,2,0,0,0,0|1,1,0]=4 3802 B13R1.18 N[C@@H](COCF)c1cccc(c1)Cl 34a_100032004910_100015361967 [0,2,0,0,0,0|1,1,0]=4 3803 B13R1.18 N[C@H](COCF)c1cccc(c1)F 34a_100020641251_100015361967 [0,2,0,0,0,0|1,1,0]=4 3804 B13R1.18 Oc1cccc(c1)C(O)CNCF 34a_100020657549_100015361967 [0,2,0,0,0,0|0,1,0]=3 3805 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Br 34a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)Cl 34a_200011661548_200025704644 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.18 [13CH3]OCCC(N)c1cccc(c1)F 34a_100011661530_200025704644 [0,2,0,0,0,0|2,0,0]=4 3808 B13R1.22 CCC(=O)C(O)c1cccc(c1)C 1458a_100011434945_100000210202 [0,2,0,0,0,0|1,0,1]=4 3809 B13R1.22 CCC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_100000210202 [0,2,0,0,0,0|1,0,1]=4 3810 B13R1.22 CCC(=O)C(O)c1cccc(c1)F 1458a_100011434943_100000210202 [0,2,0,0,0,0|1,0,1]=4 3811 B13R1.22 Cc1cccc(c1)C(O)C(=O)CF 1458a_100011434945_100015361967 [0,2,0,0,0,0|0,1,1]=4 3812 B13R1.22 O=C(CF)C(O)c1cccc(c1)Cl 1458a_100011216955_100015361967 [0,2,0,0,0,0|0,1,1]=4 3813 B13R1.22 O=C(CF)C(O)c1cccc(c1)F 1458a_100011434943_100015361967 [0,2,0,0,0,0|0,1,1]=4 3814 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,2,0,0,0,0|1,0,1]=4 3815 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Br 271570a_100015190218_100000691529 [0,2,0,0,0,0|2,0,0]=4 3816 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)Cl 271570a_100015190218_100000699651 [0,2,0,0,0,0|2,0,0]=4 3817 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)F 271570a_100015190218_100000685547 [0,2,0,0,0,0|2,0,0]=4 3818 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)N 271570a_100015190218_100000210019 [0,2,0,0,0,0|2,0,0]=4 3819 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)O 271570a_100015190218_100000211634 [0,2,0,0,0,0|2,0,0]=4 3820 B13R1.147 CC(C)C[C@H](N)c1cccc(c1)[S] 271570a_100015190218_114929384022 [0,2,0,0,0,0|2,0,0]=4 3821 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 2230a_200000733937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3822 B13R1.147 CN(C)CC(O)c1cccc(c1)Br 269982a_200000733937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3823 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 2230a_100009815823_200000210301 [0,2,0,0,0,0|2,0,0]=4 3824 B13R1.147 CN(C)C[C@H](O)c1cccc(c1)O 269982a_100009815823_200000210301 [0,2,0,0,0,0|2,0,0]=4 3825 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 2230a_200000733937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3826 B13R1.147 CN([13CH3])CC(O)c1cccc(c1)Br 269982a_200000733937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3827 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 2230a_100009815823_200025704644 [0,2,0,0,0,0|2,0,0]=4 3828 B13R1.147 CN([13CH3])C[C@H](O)c1cccc(c1)O 269982a_100009815823_200025704644 [0,2,0,0,0,0|2,0,0]=4 3829 B13R1.147 Cc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100011215228 [0,2,0,0,0,0|2,0,0]=4 3830 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,2,0,0,0,0|1,0,1]=4 3831 B13R1.460 C=Cc1cccc(c1)C(N)CCO 271570a_100011290941_200011661555 [0,2,0,0,0,0|2,0,0]=4 3832 B13R1.460 C=Cc1cccc(c1)C(O)CNC 271570a_100011290941_200000733937 [0,2,0,0,0,0|2,0,0]=4 3833 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000210301_200000733937 [0,2,0,0,0,0|2,0,0]=4 3834 B13R1.460 CNCC(O)c1cccc(c1)SC 62a_200000733937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3835 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200000733937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3836 B13R1.460 CNCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200000733937 [0,2,0,0,0,0|2,0,0]=4 3837 B13R1.460 CNC[C@H](O)c1cccc(c1)OC 34a_100009815823_200000210301 [0,2,0,0,0,0|2,0,0]=4 3838 B13R1.460 CNC[C@H](O)c1cccc(c1)O[13CH3] 34a_100009815823_200025704644 [0,2,0,0,0,0|2,0,0]=4 3839 B13R1.460 COc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200000210301 [0,2,0,0,0,0|2,0,0]=4 3840 B13R1.460 CSc1cccc(c1)C(N)CCO 62a_200000210301_200011661555 [0,2,0,0,0,0|2,0,0]=4 3841 B13R1.460 CSc1cccc(c1)C(N)CCO 62a_200011661555_200000210301 [0,2,0,0,0,0|2,0,0]=4 3842 B13R1.460 [13CH3]Oc1cccc(c1)[C@@H](N)CCO 34a_100025705919_200025704644 [0,2,0,0,0,0|2,0,0]=4 3843 B13R1.460 [13CH3]Sc1cccc(c1)C(N)CCO 62a_200011661555_200025704644 [0,2,0,0,0,0|2,0,0]=4 3844 B13R1.460 [13CH3]Sc1cccc(c1)C(N)CCO 62a_200025704644_200011661555 [0,2,0,0,0,0|2,0,0]=4 3845 B13R1.11 C#CC(=O)CC(O)c1ccccc1 1458a_100000211873_100000185958 [0,2,0,0,0,0|1,0,1]=4 3846 B13R1.11 C#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000211873_100011933945 [0,2,0,0,0,0|1,0,1]=4 3847 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [0,2,0,0,0,0|1,0,1]=4 3848 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [0,2,0,0,0,0|1,0,1]=4 3849 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,2,0,0,0,0|1,1,0]=4 3850 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,2,0,0,0,0|2,0,0]=4 3851 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,2,0,0,0,0|1,1,0]=4 3852 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,2,0,0,0,0|1,1,0]=4 3853 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|2,0,0]=4 3854 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,2,0,0,0,0|2,0,0]=4 3855 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,2,0,0,0,0|2,0,0]=4 3856 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,2,0,0,0,0|2,0,0]=4 3857 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,2,0,0,0,0|2,0,0]=4 3858 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,2,0,0,0,0|1,1,0]=4 3859 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,2,0,0,0,0|2,0,0]=4 3860 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,2,0,0,0,0|2,0,0]=4 3861 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,2,0,0,0,0|2,0,0]=4 3862 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,2,0,0,0,0|2,0,0]=4 3863 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,2,0,0,0,0|2,0,0]=4 3864 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,2,0,0,0,0|2,0,0]=4 3865 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,2,0,0,0,0|1,0,0]=3 3866 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,2,0,0,0,0|1,0,0]=3 3867 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,2,0,0,0,0|1,0,0]=3 3868 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,2,0,0,0,0|2,0,0]=4 3869 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,2,0,0,0,0|2,0,0]=4 3870 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,2,0,0,0,0|2,0,0]=4 3871 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,2,0,0,0,0|2,0,0]=4 3872 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,2,0,0,0,0|2,0,0]=4 3873 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,2,0,0,0,0|2,0,0]=4 3874 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,2,0,0,0,0|2,0,0]=4 3875 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,2,0,0,0,0|2,0,0]=4 3876 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 3877 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,2,0,0,0,0|2,0,0]=4 3878 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,2,0,0,0,0|1,0,0]=3 3879 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,2,0,0,0,0|1,0,0]=3 3880 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,2,0,0,0,0|1,0,0]=3 3881 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,2,0,0,0,0|1,0,0]=3 3882 B13R1.11 CN(CF)CC(O)c1ccccc1 269982a_100000227976_100015361967 [0,2,0,0,0,0|0,1,0]=3 3883 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,2,0,0,0,0|1,0,1]=4 3884 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,2,0,0,0,0|0,1,0]=3 3885 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,2,0,0,0,0|1,0,0]=3 3886 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,2,0,0,0,0|1,0,0]=3 3887 B13R1.24 C#CCCNC(C)c1ccccc1 34a_100000755551_100000211855 [0,2,0,0,0,0|2,0,0]=4 3888 B13R1.24 C#CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000688953 [0,2,0,0,0,0|2,0,0]=4 3889 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,2,0,0,0,0|2,0,0]=4 3890 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,2,0,0,0,0|2,0,0]=4 3891 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,2,0,0,0,0|2,0,0]=4 3892 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000230085_100000688953 [0,2,0,0,0,0|2,0,0]=4 3893 B13R1.24 C#CCCSC(C)c1ccccc1 62a_100000688953_100000230085 [0,2,0,0,0,0|2,0,0]=4 3894 B13R1.24 C#CCNCC(C)c1ccccc1 2230a_100000701038_100000038162 [0,2,0,0,0,0|2,0,0]=4 3895 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000212058_100000756946 [0,2,0,0,0,0|2,0,0]=4 3896 B13R1.24 C#CCNCC(C)c1ccccc1 34a_100000701038_100000184674 [0,2,0,0,0,0|2,0,0]=4 3897 B13R1.24 C#CCNCC(O)c1ccccc1 2230a_100000210709_100000038162 [0,2,0,0,0,0|1,0,0]=3 3898 B13R1.24 C#CCNCC(O)c1ccccc1 34a_100000212058_100000185958 [0,2,0,0,0,0|1,0,0]=3 3899 B13R1.24 C#CCNCC(O)c1ccccn1 2230a_100000691469_100000038162 [0,2,0,0,0,0|2,0,0]=4 3900 B13R1.24 C#CCNCC(O)c1cccnc1 2230a_100020605170_100000038162 [0,2,0,0,0,0|2,0,0]=4 3901 B13R1.24 C#CCNC[C@@H](O)c1ccccc1 34a_100000212058_100011933945 [0,2,0,0,0,0|1,0,0]=3 3902 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100000210247_100000756946 [0,2,0,0,0,0|2,0,0]=4 3903 B13R1.24 C#CCOCC(C)c1ccccc1 34a_100011215166_100000184674 [0,2,0,0,0,0|2,0,0]=4 3904 B13R1.24 C#CCOCC(C)c1ccccc1 7a_100011215166_100000038162 [0,2,0,0,0,0|2,0,0]=4 3905 B13R1.24 C#CCOCC(O)c1ccccc1 34a_100000210247_100000185958 [0,2,0,0,0,0|1,0,0]=3 3906 B13R1.24 C#CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000184674 [0,2,0,0,0,0|2,0,0]=4 3907 B13R1.24 C#CCOC[C@@H](O)c1ccccc1 34a_100000210247_100011933945 [0,2,0,0,0,0|1,0,0]=3 3908 B13R1.24 C#CCSCC(C)c1ccccc1 62a_100000038162_100000756946 [0,2,0,0,0,0|2,0,0]=4 3909 B13R1.24 C#CCSCC(O)c1ccccc1 62a_100000038162_100000185958 [0,2,0,0,0,0|1,0,0]=3 3910 B13R1.24 C#CCSC[C@@H](O)c1ccccc1 62a_100000038162_100011933945 [0,2,0,0,0,0|1,0,0]=3 3911 B13R1.24 C=CCCNC(C)c1ccccc1 2230a_100015191253_100000230085 [0,2,0,0,0,0|2,0,0]=4 3912 B13R1.24 C=CCCNC(C)c1ccccc1 269862a_100015191253_100000185851 [0,2,0,0,0,0|2,0,0]=4 3913 B13R1.24 C=CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000754431 [0,2,0,0,0,0|2,0,0]=4 3914 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,2,0,0,0,0|2,0,0]=4 3915 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,2,0,0,0,0|2,0,0]=4 3916 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,2,0,0,0,0|2,0,0]=4 3917 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000230085_100000754431 [0,2,0,0,0,0|2,0,0]=4 3918 B13R1.24 C=CCCSC(C)c1ccccc1 62a_100000754431_100000230085 [0,2,0,0,0,0|2,0,0]=4 3919 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100000701038_100000210623 [0,2,0,0,0,0|2,0,0]=4 3920 B13R1.24 C=CCNCC(C)c1ccccc1 2230a_100020586998_100000756946 [0,2,0,0,0,0|2,0,0]=4 3921 B13R1.24 C=CCNCC(C)c1ccccc1 270004a_100020586998_100000212034 [0,2,0,0,0,0|2,0,0]=4 3922 B13R1.24 C=CCNCC(C)c1ccccc1 34a_100000701038_100015514636 [0,2,0,0,0,0|2,0,0]=4 3923 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100000210709_100000210623 [0,2,0,0,0,0|1,0,0]=3 3924 B13R1.24 C=CCNCC(O)c1ccccc1 2230a_100020586998_100000185958 [0,2,0,0,0,0|1,0,0]=3 3925 B13R1.24 C=CCNCC(O)c1ccccn1 2230a_100000691469_100000210623 [0,2,0,0,0,0|2,0,0]=4 3926 B13R1.24 C=CCNCC(O)c1cccnc1 2230a_100020605170_100000210623 [0,2,0,0,0,0|2,0,0]=4 3927 B13R1.24 C=CCNC[C@@H](O)c1ccccc1 2230a_100020586998_100011933945 [0,2,0,0,0,0|1,0,0]=3 3928 B13R1.24 C=CCOCC(C)c1ccccc1 34a_100011215166_100015514636 [0,2,0,0,0,0|2,0,0]=4 3929 B13R1.24 C=CCOCC(C)c1ccccc1 34a_200000210373_100000756946 [0,2,0,0,0,0|2,0,0]=4 3930 B13R1.24 C=CCOCC(C)c1ccccc1 7a_100011215166_100015514636 [0,2,0,0,0,0|2,0,0]=4 3931 B13R1.24 C=CCOCC(O)c1ccccc1 34a_200000210373_100000185958 [0,2,0,0,0,0|1,0,0]=3 3932 B13R1.24 C=CCOC[C@@H](N)c1ccccc1 34a_100000751927_100015514636 [0,2,0,0,0,0|2,0,0]=4 3933 B13R1.24 C=CCOC[C@@H](O)c1ccccc1 34a_200000210373_100011933945 [0,2,0,0,0,0|1,0,0]=3 3934 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000210623_100000756946 [0,2,0,0,0,0|2,0,0]=4 3935 B13R1.24 C=CCSCC(C)c1ccccc1 62a_100000756946_100000210623 [0,2,0,0,0,0|2,0,0]=4 3936 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000185958_100000210623 [0,2,0,0,0,0|1,0,0]=3 3937 B13R1.24 C=CCSCC(O)c1ccccc1 62a_100000210623_100000185958 [0,2,0,0,0,0|1,0,0]=3 3938 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100000210623_100011933945 [0,2,0,0,0,0|1,0,0]=3 3939 B13R1.24 C=CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210623 [0,2,0,0,0,0|1,0,0]=3 3940 B13R1.24 CC(CNCC#N)c1ccccc1 2230a_100000701038_100011215382 [0,2,0,0,0,0|2,0,0]=4 3941 B13R1.24 CC(CNCC=O)c1ccccc1 2230a_100000701038_200015260668 [0,2,0,0,0,0|2,0,0]=4 3942 B13R1.24 CC(CNCC=O)c1ccccc1 34a_100000701038_200009817547 [0,2,0,0,0,0|2,0,0]=4 3943 B13R1.24 CC(CNCCF)c1ccccc1 2230a_100000701038_100011217306 [0,2,0,0,0,0|1,1,0]=4 3944 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000701038_100011217306 [0,2,0,0,0,0|1,1,0]=4 3945 B13R1.24 CC(CNCCF)c1ccccc1 34a_100000724931_100000756946 [0,2,0,0,0,0|1,1,0]=4 3946 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100000701038_100000211926 [0,2,0,0,0,0|2,0,0]=4 3947 B13R1.24 CC(CNCCO)c1ccccc1 2230a_100016997473_100000756946 [0,2,0,0,0,0|2,0,0]=4 3948 B13R1.24 CC(CNCCO)c1ccccc1 270004a_100000210304_100000212034 [0,2,0,0,0,0|2,0,0]=4 3949 B13R1.24 CC(CNCCO)c1ccccc1 34a_100000701038_100000211926 [0,2,0,0,0,0|2,0,0]=4 3950 B13R1.24 CC(CNCCO)c1ccccc1 34a_100016990907_100000756946 [0,2,0,0,0,0|2,0,0]=4 3951 B13R1.24 CC(COCC#N)c1ccccc1 7a_100011215166_100011215382 [0,2,0,0,0,0|2,0,0]=4 3952 B13R1.24 CC(COCC=O)c1ccccc1 34a_100011215166_200009817547 [0,2,0,0,0,0|2,0,0]=4 3953 B13R1.24 CC(COCC=O)c1ccccc1 7a_100011215166_200015260668 [0,2,0,0,0,0|2,0,0]=4 3954 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,2,0,0,0,0|1,1,0]=4 3955 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,2,0,0,0,0|1,1,0]=4 3956 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,2,0,0,0,0|1,1,0]=4 3957 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,2,0,0,0,0|2,0,0]=4 3958 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,2,0,0,0,0|2,0,0]=4 3959 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,2,0,0,0,0|2,0,0]=4 3960 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100000756946_100011215382 [0,2,0,0,0,0|2,0,0]=4 3961 B13R1.24 CC(CSCC#N)c1ccccc1 62a_100011215382_100000756946 [0,2,0,0,0,0|2,0,0]=4 3962 B13R1.24 CC(CSCC=O)c1ccccc1 62a_100000756946_200015260668 [0,2,0,0,0,0|2,0,0]=4 3963 B13R1.24 CC(CSCC=O)c1ccccc1 62a_200015260668_100000756946 [0,2,0,0,0,0|2,0,0]=4 3964 B13R1.24 CC(CSCCF)c1ccccc1 62a_100000756946_100011217306 [0,2,0,0,0,0|1,1,0]=4 3965 B13R1.24 CC(CSCCF)c1ccccc1 62a_100011217306_100000756946 [0,2,0,0,0,0|1,1,0]=4 3966 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000211926_100000756946 [0,2,0,0,0,0|2,0,0]=4 3967 B13R1.24 CC(CSCCO)c1ccccc1 62a_100000756946_100000211926 [0,2,0,0,0,0|2,0,0]=4 3968 B13R1.24 CC(NCCCF)c1ccccc1 2230a_100015189416_100000230085 [0,2,0,0,0,0|1,1,0]=4 3969 B13R1.24 CC(NCCCF)c1ccccc1 269862a_100015189416_100000185851 [0,2,0,0,0,0|1,1,0]=4 3970 B13R1.24 CC(NCCCF)c1ccccc1 34a_100015189416_100000211855 [0,2,0,0,0,0|1,1,0]=4 3971 B13R1.24 CC(NCCCO)c1ccccc1 269862a_100000182051_100000185851 [0,2,0,0,0,0|2,0,0]=4 3972 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,2,0,0,0,0|1,1,0]=4 3973 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,2,0,0,0,0|1,0,0]=3 3974 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,2,0,0,0,0|1,1,0]=4 3975 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,2,0,0,0,0|2,0,0]=4 3976 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,2,0,0,0,0|2,0,0]=4 3977 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100000230085_100011215226 [0,2,0,0,0,0|2,0,0]=4 3978 B13R1.24 CC(SCCC#N)c1ccccc1 62a_100011215226_100000230085 [0,2,0,0,0,0|2,0,0]=4 3979 B13R1.24 CC(SCCCF)c1ccccc1 62a_100000230085_100011934791 [0,2,0,0,0,0|1,1,0]=4 3980 B13R1.24 CC(SCCCF)c1ccccc1 62a_100011934791_100000230085 [0,2,0,0,0,0|1,1,0]=4 3981 B13R1.24 CC(SCCCO)c1ccccc1 62a_100000230085_100011215043 [0,2,0,0,0,0|2,0,0]=4 3982 B13R1.24 CC(SCCCO)c1ccccc1 62a_100011215043_100000230085 [0,2,0,0,0,0|2,0,0]=4 3983 B13R1.24 CCCCNC(C)c1ccccc1 2230a_100000102301_100000230085 [0,2,0,0,0,0|2,0,0]=4 3984 B13R1.24 CCCCNC(C)c1ccccc1 269862a_100000102301_100000185851 [0,2,0,0,0,0|2,0,0]=4 3985 B13R1.24 CCCCNC(C)c1ccccc1 7a_106832991798_100000230085 [0,2,0,0,0,0|2,0,0]=4 3986 B13R1.24 CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210211 [0,2,0,0,0,0|2,0,0]=4 3987 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,2,0,0,0,0|2,0,0]=4 3988 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,2,0,0,0,0|2,0,0]=4 3989 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,2,0,0,0,0|2,0,0]=4 3990 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,2,0,0,0,0|2,0,0]=4 3991 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000210211_100000230085 [0,2,0,0,0,0|2,0,0]=4 3992 B13R1.24 CCCCSC(C)c1ccccc1 62a_100000230085_100000210210 [0,2,0,0,0,0|2,0,0]=4 3993 B13R1.24 CCCNCC(C)c1ccccc1 2230a_100000701038_100000210303 [0,2,0,0,0,0|2,0,0]=4 3994 B13R1.24 CCCNCC(C)c1ccccc1 270004a_100020643023_100000212034 [0,2,0,0,0,0|2,0,0]=4 3995 B13R1.24 CCCNCC(C)c1ccccc1 34a_100000701038_100000210303 [0,2,0,0,0,0|2,0,0]=4 3996 B13R1.24 CCCNCC(O)c1ccccc1 2230a_100000210709_100000210303 [0,2,0,0,0,0|1,0,0]=3 3997 B13R1.24 CCCNCC(O)c1ccccn1 2230a_100000691469_100000210303 [0,2,0,0,0,0|2,0,0]=4 3998 B13R1.24 CCCNCC(O)c1cccnc1 2230a_100020605170_100000210303 [0,2,0,0,0,0|2,0,0]=4 3999 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,2,0,0,0,0|2,0,0]=4 4000 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,2,0,0,0,0|2,0,0]=4 4001 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,2,0,0,0,0|2,0,0]=4 4002 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,2,0,0,0,0|1,0,0]=3 4003 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|2,0,0]=4 4004 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,2,0,0,0,0|1,0,0]=3 4005 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000210303_100000756946 [0,2,0,0,0,0|2,0,0]=4 4006 B13R1.24 CCCSCC(C)c1ccccc1 62a_100000756946_100000210303 [0,2,0,0,0,0|2,0,0]=4 4007 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000185958_100000210303 [0,2,0,0,0,0|1,0,0]=3 4008 B13R1.24 CCCSCC(O)c1ccccc1 62a_100000210303_100000185958 [0,2,0,0,0,0|1,0,0]=3 4009 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100000210303_100011933945 [0,2,0,0,0,0|1,0,0]=3 4010 B13R1.24 CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210303 [0,2,0,0,0,0|1,0,0]=3 4011 B13R1.24 CCNCCC(C)c1ccccc1 270004a_100015525214_100000189432 [0,2,0,0,0,0|2,0,0]=4 4012 B13R1.24 CCNCCC(O)c1ccccc1 2230a_100000763605_100000210202 [0,2,0,0,0,0|1,0,0]=3 4013 B13R1.24 CCNCC[C@@H](O)c1ccccc1 2230a_100015525214_100000729684 [0,2,0,0,0,0|1,0,0]=3 4014 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,2,0,0,0,0|1,0,0]=3 4015 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,2,0,0,0,0|2,0,0]=4 4016 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,2,0,0,0,0|2,0,0]=4 4017 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,2,0,0,0,0|2,0,0]=4 4018 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000210202_100000729684 [0,2,0,0,0,0|1,0,0]=3 4019 B13R1.24 CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210202 [0,2,0,0,0,0|1,0,0]=3 4020 B13R1.24 COCCCC(N)c1ccccc1 34a_100000759318_200000210301 [0,2,0,0,0,0|2,0,0]=4 4021 B13R1.24 COCCNC(C)c1ccccc1 2230a_100000209980_100000230085 [0,2,0,0,0,0|2,0,0]=4 4022 B13R1.24 COCCNC(C)c1ccccc1 269862a_100000209980_100000185851 [0,2,0,0,0,0|2,0,0]=4 4023 B13R1.24 COCCN[C@H](C)c1ccccc1 2230a_100000751104_100011201679 [0,2,0,0,0,0|2,0,0]=4 4024 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,2,0,0,0,0|2,0,0]=4 4025 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,2,0,0,0,0|2,0,0]=4 4026 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,2,0,0,0,0|2,0,0]=4 4027 B13R1.24 COCCSC(C)c1ccccc1 62a_100000230085_100000233755 [0,2,0,0,0,0|2,0,0]=4 4028 B13R1.24 COCCSC(C)c1ccccc1 62a_100000233755_100000230085 [0,2,0,0,0,0|2,0,0]=4 4029 B13R1.24 COCNCC(C)c1ccccc1 2230a_100000701038_100000766300 [0,2,0,0,0,0|2,0,0]=4 4030 B13R1.24 COCNCC(O)c1ccccc1 2230a_100000210709_100000766300 [0,2,0,0,0,0|1,0,0]=3 4031 B13R1.24 COCNCC(O)c1ccccn1 2230a_100000691469_100000766300 [0,2,0,0,0,0|2,0,0]=4 4032 B13R1.24 COCNCC(O)c1cccnc1 2230a_100020605170_100000766300 [0,2,0,0,0,0|2,0,0]=4 4033 B13R1.24 COCSCC(C)c1ccccc1 62a_100000756946_100000766300 [0,2,0,0,0,0|2,0,0]=4 4034 B13R1.24 COCSCC(C)c1ccccc1 62a_100000766300_100000756946 [0,2,0,0,0,0|2,0,0]=4 4035 B13R1.24 COCSCC(O)c1ccccc1 62a_100000185958_100000766300 [0,2,0,0,0,0|1,0,0]=3 4036 B13R1.24 COCSCC(O)c1ccccc1 62a_100000766300_100000185958 [0,2,0,0,0,0|1,0,0]=3 4037 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100000766300_100011933945 [0,2,0,0,0,0|1,0,0]=3 4038 B13R1.24 COCSC[C@@H](O)c1ccccc1 62a_100011933945_100000766300 [0,2,0,0,0,0|1,0,0]=3 4039 B13R1.24 CSCCNC(C)c1ccccc1 2230a_100020590264_100000230085 [0,2,0,0,0,0|2,0,0]=4 4040 B13R1.24 CSCCNC(C)c1ccccc1 269862a_100020590264_100000185851 [0,2,0,0,0,0|2,0,0]=4 4041 B13R1.24 CSCCN[C@H](C)c1ccccc1 2230a_100000751104_100000751147 [0,2,0,0,0,0|2,0,0]=4 4042 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,2,0,0,0,0|2,0,0]=4 4043 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,2,0,0,0,0|2,0,0]=4 4044 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,2,0,0,0,0|2,0,0]=4 4045 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,2,0,0,0,0|2,0,0]=4 4046 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000212216_100000230085 [0,2,0,0,0,0|2,0,0]=4 4047 B13R1.24 CSCCSC(C)c1ccccc1 62a_100000230085_100000751147 [0,2,0,0,0,0|2,0,0]=4 4048 B13R1.24 CSCNCC(C)c1ccccc1 2230a_100000701038_100011218213 [0,2,0,0,0,0|2,0,0]=4 4049 B13R1.24 CSCNCC(C)c1ccccc1 34a_100000701038_100011218213 [0,2,0,0,0,0|2,0,0]=4 4050 B13R1.24 CSCNCC(O)c1ccccc1 2230a_100000210709_100011218213 [0,2,0,0,0,0|1,0,0]=3 4051 B13R1.24 CSCNCC(O)c1ccccn1 2230a_100000691469_100011218213 [0,2,0,0,0,0|2,0,0]=4 4052 B13R1.24 CSCNCC(O)c1cccnc1 2230a_100020605170_100011218213 [0,2,0,0,0,0|2,0,0]=4 4053 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,2,0,0,0,0|2,0,0]=4 4054 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,2,0,0,0,0|2,0,0]=4 4055 B13R1.24 CSCSCC(C)c1ccccc1 62a_100000756946_100011218213 [0,2,0,0,0,0|2,0,0]=4 4056 B13R1.24 CSCSCC(C)c1ccccc1 62a_100011218213_100000756946 [0,2,0,0,0,0|2,0,0]=4 4057 B13R1.24 CSCSCC(O)c1ccccc1 62a_100000185958_100011218213 [0,2,0,0,0,0|1,0,0]=3 4058 B13R1.24 CSCSCC(O)c1ccccc1 62a_100011218213_100000185958 [0,2,0,0,0,0|1,0,0]=3 4059 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011218213_100011933945 [0,2,0,0,0,0|1,0,0]=3 4060 B13R1.24 CSCSC[C@@H](O)c1ccccc1 62a_100011933945_100011218213 [0,2,0,0,0,0|1,0,0]=3 4061 B13R1.24 C[C@@H](NCCC#N)c1ccccc1 2230a_100000751104_100011215226 [0,2,0,0,0,0|2,0,0]=4 4062 B13R1.24 C[C@@H](NCCCF)c1ccccc1 2230a_100000751104_100011934791 [0,2,0,0,0,0|1,1,0]=4 4063 B13R1.24 C[C@@H](NCCCO)c1ccccc1 2230a_100000751104_100000230001 [0,2,0,0,0,0|2,0,0]=4 4064 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,2,0,0,0,0|2,0,0]=4 4065 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,2,0,0,0,0|1,1,0]=4 4066 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,2,0,0,0,0|1,1,0]=4 4067 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,2,0,0,0,0|2,0,0]=4 4068 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,2,0,0,0,0|2,0,0]=4 4069 B13R1.24 N#CCNCC(O)c1ccccc1 2230a_100000210709_100011215382 [0,2,0,0,0,0|1,0,0]=3 4070 B13R1.24 N#CCNCC(O)c1ccccn1 2230a_100000691469_100011215382 [0,2,0,0,0,0|2,0,0]=4 4071 B13R1.24 N#CCNCC(O)c1cccnc1 2230a_100020605170_100011215382 [0,2,0,0,0,0|2,0,0]=4 4072 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100000185958_100011215382 [0,2,0,0,0,0|1,0,0]=3 4073 B13R1.24 N#CCSCC(O)c1ccccc1 62a_100011215382_100000185958 [0,2,0,0,0,0|1,0,0]=3 4074 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011215382_100011933945 [0,2,0,0,0,0|1,0,0]=3 4075 B13R1.24 N#CCSC[C@@H](O)c1ccccc1 62a_100011933945_100011215382 [0,2,0,0,0,0|1,0,0]=3 4076 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,2,0,0,0,0|1,0,0]=3 4077 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,2,0,0,0,0|1,0,0]=3 4078 B13R1.24 N[C@@H](CCOCF)c1ccccc1 34a_100025705951_100015361967 [0,2,0,0,0,0|1,1,0]=4 4079 B13R1.24 N[C@H](COCC=O)c1ccccc1 34a_100000751927_200009817547 [0,2,0,0,0,0|2,0,0]=4 4080 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|1,1,0]=4 4081 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|2,0,0]=4 4082 B13R1.24 O=CCNCC(O)c1ccccc1 2230a_100000210709_200015260668 [0,2,0,0,0,0|1,0,0]=3 4083 B13R1.24 O=CCNCC(O)c1ccccn1 2230a_100000691469_200015260668 [0,2,0,0,0,0|2,0,0]=4 4084 B13R1.24 O=CCNCC(O)c1cccnc1 2230a_100020605170_200015260668 [0,2,0,0,0,0|2,0,0]=4 4085 B13R1.24 O=CCSCC(O)c1ccccc1 62a_100000185958_200015260668 [0,2,0,0,0,0|1,0,0]=3 4086 B13R1.24 O=CCSCC(O)c1ccccc1 62a_200015260668_100000185958 [0,2,0,0,0,0|1,0,0]=3 4087 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_100011933945_200015260668 [0,2,0,0,0,0|1,0,0]=3 4088 B13R1.24 O=CCSC[C@@H](O)c1ccccc1 62a_200015260668_100011933945 [0,2,0,0,0,0|1,0,0]=3 4089 B13R1.24 OC(CNCCF)c1ccccc1 2230a_100000210709_100011217306 [0,2,0,0,0,0|0,1,0]=3 4090 B13R1.24 OC(CNCCF)c1ccccc1 34a_100000724931_100000185958 [0,2,0,0,0,0|0,1,0]=3 4091 B13R1.24 OC(CNCCF)c1ccccn1 2230a_100000691469_100011217306 [0,2,0,0,0,0|1,1,0]=4 4092 B13R1.24 OC(CNCCF)c1cccnc1 2230a_100020605170_100011217306 [0,2,0,0,0,0|1,1,0]=4 4093 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,2,0,0,0,0|0,1,0]=3 4094 B13R1.24 OC(CSCCF)c1ccccc1 62a_100000185958_100011217306 [0,2,0,0,0,0|0,1,0]=3 4095 B13R1.24 OC(CSCCF)c1ccccc1 62a_100011217306_100000185958 [0,2,0,0,0,0|0,1,0]=3 4096 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100000210709_100000211926 [0,2,0,0,0,0|1,0,0]=3 4097 B13R1.24 OCCNCC(O)c1ccccc1 2230a_100016997473_100000185958 [0,2,0,0,0,0|1,0,0]=3 4098 B13R1.24 OCCNCC(O)c1ccccc1 34a_100016990907_100000185958 [0,2,0,0,0,0|1,0,0]=3 4099 B13R1.24 OCCNCC(O)c1ccccn1 2230a_100000691469_100000211926 [0,2,0,0,0,0|2,0,0]=4 4100 B13R1.24 OCCNCC(O)c1cccnc1 2230a_100020605170_100000211926 [0,2,0,0,0,0|2,0,0]=4 4101 B13R1.24 OCCNC[C@@H](O)c1ccccc1 2230a_100016997473_100011933945 [0,2,0,0,0,0|1,0,0]=3 4102 B13R1.24 OCCNC[C@@H](O)c1ccccc1 34a_100016990907_100011933945 [0,2,0,0,0,0|1,0,0]=3 4103 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000185958_100000211926 [0,2,0,0,0,0|1,0,0]=3 4104 B13R1.24 OCCSCC(O)c1ccccc1 62a_100000211926_100000185958 [0,2,0,0,0,0|1,0,0]=3 4105 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100000211926_100011933945 [0,2,0,0,0,0|1,0,0]=3 4106 B13R1.24 OCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000211926 [0,2,0,0,0,0|1,0,0]=3 4107 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100000729684_100015361967 [0,2,0,0,0,0|0,1,0]=3 4108 B13R1.24 O[C@H](CCSCF)c1ccccc1 62a_100015361967_100000729684 [0,2,0,0,0,0|0,1,0]=3 4109 B13R1.24 O[C@H](CNCCF)c1ccccc1 34a_100000724931_100011933945 [0,2,0,0,0,0|0,1,0]=3 4110 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,2,0,0,0,0|0,1,0]=3 4111 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011217306_100011933945 [0,2,0,0,0,0|0,1,0]=3 4112 B13R1.24 O[C@H](CSCCF)c1ccccc1 62a_100011933945_100011217306 [0,2,0,0,0,0|0,1,0]=3 4113 B13R1.24 [13CH3]OCCCC(N)c1ccccc1 34a_100000759318_200025704644 [0,2,0,0,0,0|2,0,0]=4 4114 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,2,0,0,0,0|1,0,0]=3 4115 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,2,0,0,0,0|1,0,1]=4 4116 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,2,0,0,0,0|1,0,1]=4 4117 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,2,0,0,0,0|1,1,0]=4 4118 B13R1.45 CC(C)CNC(C)c1ccccc1 2230a_100000210953_100000230085 [0,2,0,0,0,0|2,0,0]=4 4119 B13R1.45 CC(C)CNC(C)c1ccccc1 269862a_100000210953_100000185851 [0,2,0,0,0,0|2,0,0]=4 4120 B13R1.45 CC(C)CNC(C)c1ccccc1 34a_100000210953_100000211855 [0,2,0,0,0,0|2,0,0]=4 4121 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100000210760 [0,2,0,0,0,0|2,0,0]=4 4122 B13R1.45 CC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000210432 [0,2,0,0,0,0|2,0,0]=4 4123 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,2,0,0,0,0|2,0,0]=4 4124 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,2,0,0,0,0|2,0,0]=4 4125 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,2,0,0,0,0|2,0,0]=4 4126 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000210624_100000230085 [0,2,0,0,0,0|2,0,0]=4 4127 B13R1.45 CC(C)CSC(C)c1ccccc1 62a_100000230085_100000210760 [0,2,0,0,0,0|2,0,0]=4 4128 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100000701038_100000210206 [0,2,0,0,0,0|2,0,0]=4 4129 B13R1.45 CC(C)NCC(C)c1ccccc1 2230a_100138425928_100000756946 [0,2,0,0,0,0|2,0,0]=4 4130 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100000701038_100000210206 [0,2,0,0,0,0|2,0,0]=4 4131 B13R1.45 CC(C)NCC(C)c1ccccc1 34a_100138425928_100000756946 [0,2,0,0,0,0|2,0,0]=4 4132 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100000210709_100000210206 [0,2,0,0,0,0|1,0,0]=3 4133 B13R1.45 CC(C)NCC(O)c1ccccc1 2230a_100138425928_100000185958 [0,2,0,0,0,0|1,0,0]=3 4134 B13R1.45 CC(C)NCC(O)c1ccccc1 34a_100138425928_100000185958 [0,2,0,0,0,0|1,0,0]=3 4135 B13R1.45 CC(C)NCC(O)c1ccccn1 2230a_100000691469_100000210206 [0,2,0,0,0,0|2,0,0]=4 4136 B13R1.45 CC(C)NCC(O)c1cccnc1 2230a_100020605170_100000210206 [0,2,0,0,0,0|2,0,0]=4 4137 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 2230a_100138425928_100011933945 [0,2,0,0,0,0|1,0,0]=3 4138 B13R1.45 CC(C)NC[C@@H](O)c1ccccc1 34a_100138425928_100011933945 [0,2,0,0,0,0|1,0,0]=3 4139 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,2,0,0,0,0|2,0,0]=4 4140 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,2,0,0,0,0|2,0,0]=4 4141 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,2,0,0,0,0|2,0,0]=4 4142 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,2,0,0,0,0|1,0,0]=3 4143 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|2,0,0]=4 4144 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,2,0,0,0,0|1,0,0]=3 4145 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000210206_100000756946 [0,2,0,0,0,0|2,0,0]=4 4146 B13R1.45 CC(C)SCC(C)c1ccccc1 62a_100000756946_100000210206 [0,2,0,0,0,0|2,0,0]=4 4147 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000185958_100000210206 [0,2,0,0,0,0|1,0,0]=3 4148 B13R1.45 CC(C)SCC(O)c1ccccc1 62a_100000210206_100000185958 [0,2,0,0,0,0|1,0,0]=3 4149 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100000210206_100011933945 [0,2,0,0,0,0|1,0,0]=3 4150 B13R1.45 CC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000210206 [0,2,0,0,0,0|1,0,0]=3 4151 B13R1.45 CC(CCN(C)C)c1ccccc1 270004a_100102631434_100000189432 [0,2,0,0,0,0|2,0,0]=4 4152 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,2,0,0,0,0|1,1,0]=4 4153 B13R1.45 CC(NCC(F)F)c1ccccc1 34a_100000765723_100000211855 [0,2,0,0,0,0|1,1,0]=4 4154 B13R1.45 CC(O)CNC(C)c1ccccc1 2230a_100000210904_100000230085 [0,2,0,0,0,0|2,0,0]=4 4155 B13R1.45 CC(O)CNC(C)c1ccccc1 269862a_100000210904_100000185851 [0,2,0,0,0,0|2,0,0]=4 4156 B13R1.45 CC(O)CNC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|2,0,0]=4 4157 B13R1.45 CC(O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011218427 [0,2,0,0,0,0|2,0,0]=4 4158 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,2,0,0,0,0|2,0,0]=4 4159 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,2,0,0,0,0|2,0,0]=4 4160 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100000230085_100011218427 [0,2,0,0,0,0|2,0,0]=4 4161 B13R1.45 CC(O)CSC(C)c1ccccc1 62a_100011218427_100000230085 [0,2,0,0,0,0|2,0,0]=4 4162 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,2,0,0,0,0|1,1,0]=4 4163 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,2,0,0,0,0|1,0,0]=3 4164 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,2,0,0,0,0|2,0,0]=4 4165 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100000230085_100011934356 [0,2,0,0,0,0|1,1,0]=4 4166 B13R1.45 CC(SCC(F)F)c1ccccc1 62a_100011934356_100000230085 [0,2,0,0,0,0|1,1,0]=4 4167 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100000230085_100009817552 [0,2,0,0,0,0|2,0,0]=4 4168 B13R1.45 CC(SC[C@@H](C)O)c1ccccc1 62a_100009817552_100000230085 [0,2,0,0,0,0|2,0,0]=4 4169 B13R1.45 CN(C)CCC(O)c1ccccc1 2230a_100011218556_200000210301 [0,2,0,0,0,0|1,0,0]=3 4170 B13R1.45 CN(C)CCC(O)c1ccccc1 269982a_100011218556_200000210301 [0,2,0,0,0,0|1,0,0]=3 4171 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 2230a_100102631434_100000729684 [0,2,0,0,0,0|1,0,0]=3 4172 B13R1.45 CN(C)CC[C@@H](O)c1ccccc1 269982a_100102631434_100000729684 [0,2,0,0,0,0|1,0,0]=3 4173 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 2230a_100011218556_200025704644 [0,2,0,0,0,0|1,0,0]=3 4174 B13R1.45 CN([13CH3])CCC(O)c1ccccc1 269982a_100011218556_200025704644 [0,2,0,0,0,0|1,0,0]=3 4175 B13R1.45 C[C@@H](NCC(F)F)c1ccccc1 2230a_100000751104_100011934356 [0,2,0,0,0,0|1,1,0]=4 4176 B13R1.45 C[C@@H](O)CN[C@H](C)c1ccccc1 2230a_100000751104_100009817552 [0,2,0,0,0,0|2,0,0]=4 4177 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,2,0,0,0,0|2,0,0]=4 4178 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,2,0,0,0,0|2,0,0]=4 4179 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,2,0,0,0,0|1,1,0]=4 4180 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,2,0,0,0,0|1,1,0]=4 4181 B13R1.122 CC(C)(COCF)c1ccccc1 7a_100000747608_100015361967 [0,2,0,0,0,0|1,1,0]=4 4182 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100000703224_100015361967 [0,2,0,0,0,0|1,1,0]=4 4183 B13R1.122 CC(C)(CSCF)c1ccccc1 62a_100015361967_100000703224 [0,2,0,0,0,0|1,1,0]=4 4184 B13R1.122 CC(C)(NCCF)c1ccccc1 2230a_100011218174_100011217306 [0,2,0,0,0,0|1,1,0]=4 4185 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100011218174_100000211926 [0,2,0,0,0,0|2,0,0]=4 4186 B13R1.122 CC(C)(NCCO)c1ccccc1 2230a_100016997473_100000034625 [0,2,0,0,0,0|2,0,0]=4 4187 B13R1.122 CC(C)(OCCF)c1ccccc1 7a_100000694644_100011217306 [0,2,0,0,0,0|1,1,0]=4 4188 B13R1.122 CC(C)(OCCO)c1ccccc1 7a_100000694644_100000211926 [0,2,0,0,0,0|2,0,0]=4 4189 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100000034625_100011217306 [0,2,0,0,0,0|1,1,0]=4 4190 B13R1.122 CC(C)(SCCF)c1ccccc1 62a_100011217306_100000034625 [0,2,0,0,0,0|1,1,0]=4 4191 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000034625_100000211926 [0,2,0,0,0,0|2,0,0]=4 4192 B13R1.122 CC(C)(SCCO)c1ccccc1 62a_100000211926_100000034625 [0,2,0,0,0,0|2,0,0]=4 4193 B13R1.122 CCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210303 [0,2,0,0,0,0|2,0,0]=4 4194 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,2,0,0,0,0|2,0,0]=4 4195 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000034625_100000210303 [0,2,0,0,0,0|2,0,0]=4 4196 B13R1.122 CCCSC(C)(C)c1ccccc1 62a_100000210303_100000034625 [0,2,0,0,0,0|2,0,0]=4 4197 B13R1.122 CCCSC(F)(F)c1ccccc1 62a_100000210303_100000036403 [0,2,0,0,0,0|2,0,0]=4 4198 B13R1.122 CCNCC(C)(C)c1ccccc1 2230a_100011211644_100000210202 [0,2,0,0,0,0|2,0,0]=4 4199 B13R1.122 CCNCC(C)(O)c1ccccc1 2230a_100011660926_100000210202 [0,2,0,0,0,0|1,0,0]=3 4200 B13R1.122 CCNCC(F)(F)c1ccccc1 34a_100000717977_100000210202 [0,2,0,0,0,0|2,0,0]=4 4201 B13R1.122 CCOCC(C)(C)c1ccccc1 7a_100000747608_100000210202 [0,2,0,0,0,0|2,0,0]=4 4202 B13R1.122 CCOCC(F)(F)c1ccccc1 34a_100121572206_100009875531 [0,2,0,0,0,0|2,0,0]=4 4203 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000210202_100000703224 [0,2,0,0,0,0|2,0,0]=4 4204 B13R1.122 CCSCC(C)(C)c1ccccc1 62a_100000703224_100000210202 [0,2,0,0,0,0|2,0,0]=4 4205 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100000210202_100009875531 [0,2,0,0,0,0|2,0,0]=4 4206 B13R1.122 CCSCC(F)(F)c1ccccc1 62a_100009875531_100000210202 [0,2,0,0,0,0|2,0,0]=4 4207 B13R1.122 FCCSC(F)(F)c1ccccc1 62a_100011217306_100000036403 [0,2,0,0,0,0|1,1,0]=4 4208 B13R1.122 FCNCC(F)(F)c1ccccc1 34a_100000717977_100015361967 [0,2,0,0,0,0|1,1,0]=4 4209 B13R1.122 FCSCC(F)(F)c1ccccc1 62a_100009875531_100015361967 [0,2,0,0,0,0|1,1,0]=4 4210 B13R1.122 FCSCC(F)(F)c1ccccc1 62a_100015361967_100009875531 [0,2,0,0,0,0|1,1,0]=4 4211 B13R1.122 OCCSC(F)(F)c1ccccc1 62a_100000211926_100000036403 [0,2,0,0,0,0|2,0,0]=4 4212 B13R1.674 CC(NCCF)c1ccccc1Br 2230a_100000181357_100011217306 [0,2,0,0,0,0|1,1,0]=4 4213 B13R1.674 CC(NCCF)c1ccccc1Br 269862a_100000724931_100000187085 [0,2,0,0,0,0|1,1,0]=4 4214 B13R1.674 CC(NCCF)c1ccccc1Cl 2230a_100000174978_100011217306 [0,2,0,0,0,0|1,1,0]=4 4215 B13R1.674 CC(NCCF)c1ccccc1Cl 269862a_100000724931_100000210134 [0,2,0,0,0,0|1,1,0]=4 4216 B13R1.674 CC(NCCF)c1ccccc1Cl 34a_100000174978_100011217306 [0,2,0,0,0,0|1,1,0]=4 4217 B13R1.674 CC(NCCF)c1ccccc1F 2230a_100000181408_100011217306 [0,2,0,0,0,0|1,1,0]=4 4218 B13R1.674 CC(NCCF)c1ccccc1F 269862a_100000724931_100000210632 [0,2,0,0,0,0|1,1,0]=4 4219 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000181408_100011217306 [0,2,0,0,0,0|1,1,0]=4 4220 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000724931_200000741388 [0,2,0,0,0,0|1,1,0]=4 4221 B13R1.674 CC(NCCF)c1ccccc1I 269862a_100000724931_100000751169 [0,2,0,0,0,0|1,1,0]=4 4222 B13R1.674 CC(NCCO)c1ccccc1Br 2230a_100000181357_100000211926 [0,2,0,0,0,0|2,0,0]=4 4223 B13R1.674 CC(NCCO)c1ccccc1Br 269862a_100000210304_100000187085 [0,2,0,0,0,0|2,0,0]=4 4224 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 4225 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100016997473_100000181259 [0,2,0,0,0,0|2,0,0]=4 4226 B13R1.674 CC(NCCO)c1ccccc1Cl 269862a_100000210304_100000210134 [0,2,0,0,0,0|2,0,0]=4 4227 B13R1.674 CC(NCCO)c1ccccc1Cl 34a_100000174978_100000211926 [0,2,0,0,0,0|2,0,0]=4 4228 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100000181408_100000211926 [0,2,0,0,0,0|2,0,0]=4 4229 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100016997473_200000741388 [0,2,0,0,0,0|2,0,0]=4 4230 B13R1.674 CC(NCCO)c1ccccc1F 269862a_100000210304_100000210632 [0,2,0,0,0,0|2,0,0]=4 4231 B13R1.674 CC(NCCO)c1ccccc1F 34a_100000181408_100000211926 [0,2,0,0,0,0|2,0,0]=4 4232 B13R1.674 CC(NCCO)c1ccccc1F 34a_100016990907_200000741388 [0,2,0,0,0,0|2,0,0]=4 4233 B13R1.674 CC(NCCO)c1ccccc1I 269862a_100000210304_100000751169 [0,2,0,0,0,0|2,0,0]=4 4234 B13R1.674 CC(OCCBr)c1ccccc1F 34a_100000211926_200000741388 [0,2,0,0,0,0|1,1,0]=4 4235 B13R1.674 CC(OCCF)c1ccccc1Br 34a_100000702211_100011217306 [0,2,0,0,0,0|1,1,0]=4 4236 B13R1.674 CC(OCCF)c1ccccc1Br 7a_100000702211_100011217306 [0,2,0,0,0,0|1,1,0]=4 4237 B13R1.674 CC(OCCF)c1ccccc1Cl 34a_100000740796_100011217306 [0,2,0,0,0,0|1,1,0]=4 4238 B13R1.674 CC(OCCF)c1ccccc1Cl 7a_100000740796_100011217306 [0,2,0,0,0,0|1,1,0]=4 4239 B13R1.674 CC(OCCF)c1ccccc1F 34a_100000697922_100011217306 [0,2,0,0,0,0|1,1,0]=4 4240 B13R1.674 CC(OCCF)c1ccccc1F 7a_100000697922_100011217306 [0,2,0,0,0,0|1,1,0]=4 4241 B13R1.674 CC(OCCF)c1ccccc1N 7a_100011405641_100011217306 [0,2,0,0,0,0|1,1,0]=4 4242 B13R1.674 CC(OCCN)c1ccccc1F 34a_100000210304_200000741388 [0,2,0,0,0,0|2,0,0]=4 4243 B13R1.674 CC(OCCO)c1ccccc1Br 34a_100000702211_100000211926 [0,2,0,0,0,0|2,0,0]=4 4244 B13R1.674 CC(OCCO)c1ccccc1Br 7a_100000702211_100000211926 [0,2,0,0,0,0|2,0,0]=4 4245 B13R1.674 CC(OCCO)c1ccccc1Cl 34a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 4246 B13R1.674 CC(OCCO)c1ccccc1Cl 7a_100000740796_100000211926 [0,2,0,0,0,0|2,0,0]=4 4247 B13R1.674 CC(OCCO)c1ccccc1F 34a_100000697922_100000211926 [0,2,0,0,0,0|2,0,0]=4 4248 B13R1.674 CC(OCCO)c1ccccc1F 7a_100000697922_100000211926 [0,2,0,0,0,0|2,0,0]=4 4249 B13R1.674 CC(OCCO)c1ccccc1N 7a_100011405641_100000211926 [0,2,0,0,0,0|2,0,0]=4 4250 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100000181259_100011217306 [0,2,0,0,0,0|1,1,0]=4 4251 B13R1.674 CC(SCCF)c1ccccc1Cl 62a_100011217306_100000181259 [0,2,0,0,0,0|1,1,0]=4 4252 B13R1.674 CC(SCCF)c1ccccc1F 62a_100011217306_200000741388 [0,2,0,0,0,0|1,1,0]=4 4253 B13R1.674 CC(SCCF)c1ccccc1F 62a_200000741388_100011217306 [0,2,0,0,0,0|1,1,0]=4 4254 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000181259_100000211926 [0,2,0,0,0,0|2,0,0]=4 4255 B13R1.674 CC(SCCO)c1ccccc1Cl 62a_100000211926_100000181259 [0,2,0,0,0,0|2,0,0]=4 4256 B13R1.674 CC(SCCO)c1ccccc1F 62a_100000211926_200000741388 [0,2,0,0,0,0|2,0,0]=4 4257 B13R1.674 CC(SCCO)c1ccccc1F 62a_200000741388_100000211926 [0,2,0,0,0,0|2,0,0]=4 4258 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,2,0,0,0,0|2,0,0]=4 4259 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,2,0,0,0,0|2,0,0]=4 4260 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 4261 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,2,0,0,0,0|2,0,0]=4 4262 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,2,0,0,0,0|2,0,0]=4 4263 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,2,0,0,0,0|2,0,0]=4 4264 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,2,0,0,0,0|2,0,0]=4 4265 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,2,0,0,0,0|2,0,0]=4 4266 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,2,0,0,0,0|2,0,0]=4 4267 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,2,0,0,0,0|2,0,0]=4 4268 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,2,0,0,0,0|2,0,0]=4 4269 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,2,0,0,0,0|2,0,0]=4 4270 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,2,0,0,0,0|2,0,0]=4 4271 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,2,0,0,0,0|2,0,0]=4 4272 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,2,0,0,0,0|2,0,0]=4 4273 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,2,0,0,0,0|2,0,0]=4 4274 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 4275 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,2,0,0,0,0|2,0,0]=4 4276 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,2,0,0,0,0|2,0,0]=4 4277 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,2,0,0,0,0|2,0,0]=4 4278 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,2,0,0,0,0|2,0,0]=4 4279 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,2,0,0,0,0|2,0,0]=4 4280 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,2,0,0,0,0|2,0,0]=4 4281 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,2,0,0,0,0|2,0,0]=4 4282 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000181259_100000210303 [0,2,0,0,0,0|2,0,0]=4 4283 B13R1.674 CCCSC(C)c1ccccc1Cl 62a_100000210303_100000181259 [0,2,0,0,0,0|2,0,0]=4 4284 B13R1.674 CCCSC(C)c1ccccc1F 62a_100000210303_200000741388 [0,2,0,0,0,0|2,0,0]=4 4285 B13R1.674 CCCSC(C)c1ccccc1F 62a_200000741388_100000210303 [0,2,0,0,0,0|2,0,0]=4 4286 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [0,2,0,0,0,0|1,0,0]=3 4287 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [0,2,0,0,0,0|1,0,0]=3 4288 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|1,0,0]=3 4289 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|2,0,0]=4 4290 B13R1.674 CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|2,0,0]=4 4291 B13R1.674 CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|2,0,0]=4 4292 B13R1.674 COCCC(N)c1ccccc1Cl 34a_100011661560_200000210301 [0,2,0,0,0,0|2,0,0]=4 4293 B13R1.674 COCCC(N)c1ccccc1F 34a_100011661569_200000210301 [0,2,0,0,0,0|2,0,0]=4 4294 B13R1.674 C[C@@H](NCCF)c1ccccc1O 2230a_100025703389_100011217306 [0,2,0,0,0,0|1,1,0]=4 4295 B13R1.674 C[C@@H](NCCO)c1ccccc1O 2230a_100025703389_100000211926 [0,2,0,0,0,0|2,0,0]=4 4296 B13R1.674 Cc1ccccc1C(C)NCCF 2230a_100000181355_100011217306 [0,2,0,0,0,0|1,1,0]=4 4297 B13R1.674 Cc1ccccc1C(C)NCCF 269862a_100000724931_100000211656 [0,2,0,0,0,0|1,1,0]=4 4298 B13R1.674 Cc1ccccc1C(C)NCCF 34a_100000181355_100011217306 [0,2,0,0,0,0|1,1,0]=4 4299 B13R1.674 Cc1ccccc1C(C)NCCO 2230a_100000181355_100000211926 [0,2,0,0,0,0|2,0,0]=4 4300 B13R1.674 Cc1ccccc1C(C)NCCO 269862a_100000210304_100000211656 [0,2,0,0,0,0|2,0,0]=4 4301 B13R1.674 Cc1ccccc1C(C)NCCO 34a_100000181355_100000211926 [0,2,0,0,0,0|2,0,0]=4 4302 B13R1.674 Cc1ccccc1C(C)OCCF 34a_100000742021_100011217306 [0,2,0,0,0,0|1,1,0]=4 4303 B13R1.674 Cc1ccccc1C(C)OCCF 7a_100000742021_100011217306 [0,2,0,0,0,0|1,1,0]=4 4304 B13R1.674 Cc1ccccc1C(C)OCCO 34a_100000742021_100000211926 [0,2,0,0,0,0|2,0,0]=4 4305 B13R1.674 Cc1ccccc1C(C)OCCO 7a_100000742021_100000211926 [0,2,0,0,0,0|2,0,0]=4 4306 B13R1.674 NC(COCF)c1ccccc1Cl 34a_100138412506_100015361967 [0,2,0,0,0,0|1,1,0]=4 4307 B13R1.674 N[C@@H](COCF)c1ccccc1F 34a_100009818778_100015361967 [0,2,0,0,0,0|1,1,0]=4 4308 B13R1.674 N[C@H](COCF)c1ccccc1Br 34a_100161155918_100015361967 [0,2,0,0,0,0|1,1,0]=4 4309 B13R1.674 OC(CNCF)c1ccccc1Cl 34a_200000759403_100015361967 [0,2,0,0,0,0|0,1,0]=3 4310 B13R1.674 [13CH3]OCCC(N)c1ccccc1Cl 34a_100011661560_200025704644 [0,2,0,0,0,0|2,0,0]=4 4311 B13R1.674 [13CH3]OCCC(N)c1ccccc1F 34a_100011661569_200025704644 [0,2,0,0,0,0|2,0,0]=4 4312 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,2,0,0,0,0|1,0,0]=3 4313 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,2,0,0,0,0|1,0,0]=3 4314 B13R1.152 CC(C)C(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210206 [0,2,0,0,0,0|1,0,1]=4 4315 B13R1.696 CCC(=O)C(O)c1ccccc1Br 1458a_200011356456_100000210202 [0,2,0,0,0,0|1,0,1]=4 4316 B13R1.696 CCC(=O)C(O)c1ccccc1Cl 1458a_100011217820_100000210202 [0,2,0,0,0,0|1,0,1]=4 4317 B13R1.696 CCC(=O)C(O)c1ccccc1F 1458a_100011219519_100000210202 [0,2,0,0,0,0|1,0,1]=4 4318 B13R1.696 O=C(CF)C(O)c1ccccc1Br 1458a_200011356456_100015361967 [0,2,0,0,0,0|0,1,1]=4 4319 B13R1.696 O=C(CF)C(O)c1ccccc1Cl 1458a_100011217820_100015361967 [0,2,0,0,0,0|0,1,1]=4 4320 B13R1.696 O=C(CF)C(O)c1ccccc1F 1458a_100011219519_100015361967 [0,2,0,0,0,0|0,1,1]=4 4321 B13R1.708 CCC(=O)[C@](C)(O)c1ccccc1 1458a_100000753667_100000210202 [0,2,0,0,0,0|1,0,1]=4 4322 B13R1.708 C[C@](O)(C(=O)CF)c1ccccc1 1458a_100000753667_100015361967 [0,2,0,0,0,0|0,1,1]=4 4323 B13R1.347 CN(C)CC(C)(O)c1ccccc1 2230a_100011660921_200000210301 [0,2,0,0,0,0|2,0,0]=4 4324 B13R1.347 CN(C)CC(C)(O)c1ccccc1 269982a_100011660921_200000210301 [0,2,0,0,0,0|2,0,0]=4 4325 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 2230a_100011660921_200025704644 [0,2,0,0,0,0|2,0,0]=4 4326 B13R1.347 CN([13CH3])CC(C)(O)c1ccccc1 269982a_100011660921_200025704644 [0,2,0,0,0,0|2,0,0]=4 4327 B13R1.201 CC(C)C[C@H](N)c1ccccc1Br 271570a_100015190218_100000695589 [0,2,0,0,0,0|2,0,0]=4 4328 B13R1.201 CC(C)C[C@H](N)c1ccccc1Cl 271570a_100015190218_100000764095 [0,2,0,0,0,0|2,0,0]=4 4329 B13R1.201 CC(C)C[C@H](N)c1ccccc1F 271570a_100015190218_100011215700 [0,2,0,0,0,0|2,0,0]=4 4330 B13R1.201 CC(C)C[C@H](N)c1ccccc1N 271570a_100015190218_100000210017 [0,2,0,0,0,0|2,0,0]=4 4331 B13R1.201 CC(C)C[C@H](N)c1ccccc1O 271570a_100015190218_100000739446 [0,2,0,0,0,0|2,0,0]=4 4332 B13R1.201 Cc1ccccc1[C@@H](N)CC(C)C 271570a_100015190218_100000210755 [0,2,0,0,0,0|2,0,0]=4 4333 B13R1.464 COc1ccccc1C(=O)CCCl 7a_100009873196_200000210301 [0,2,0,0,0,0|0,0,2]=4 4334 B13R1.464 [13CH3]Oc1ccccc1C(=O)CCCl 7a_100009873196_200025704644 [0,2,0,0,0,0|0,0,2]=4 4335 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|2,0,0]=4 4336 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|2,0,0]=4 4337 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|2,0,0]=4 4338 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|2,0,0]=4 4339 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|2,0,0]=4 4340 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 4341 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 4342 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 4343 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,0,0,1,0,1|2,0,0]=4 4344 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,0,0,1,0,1|2,0,0]=4 4345 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,0,0,1,0,1|2,0,0]=4 4346 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,0,0,1,0,1|2,0,0]=4 4347 B13R2.26 CNCC1Cc2ccccc2O1 2230a_100015207006_200000210301 [0,0,0,1,0,1|2,0,0]=4 4348 B13R2.26 CNCC1Cc2ccccc2O1 34a_100015207006_200000210301 [0,0,0,1,0,1|2,0,0]=4 4349 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,0,0,1,0,1|2,0,0]=4 4350 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 2230a_100015207006_200025704644 [0,0,0,1,0,1|2,0,0]=4 4351 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 34a_100015207006_200025704644 [0,0,0,1,0,1|2,0,0]=4 4352 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,0,0,1,0,1|2,0,0]=4 4353 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,0,0,1,0,1|2,0,0]=4 4354 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,0,0,1,0,1|2,0,0]=4 4355 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,0,0,1,0,1|2,0,0]=4 4356 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,0,0,1,0,1|2,0,0]=4 4357 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,0,0,1,0,1|2,0,0]=4 4358 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,0,0,1,0,1|2,0,0]=4 4359 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,0,0,1,0,1|2,0,0]=4 4360 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,0,0,1,0,1|2,0,0]=4 4361 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,0,0,1,0,1|2,0,0]=4 4362 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,0,0,1,0,1|2,0,0]=4 4363 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,0,0,1,0,1|2,0,0]=4 4364 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [0,1,0,1,0,0|2,0,0]=4 4365 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,1,0,1,0,0|1,0,1]=4 4366 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,1,0,1,0,0|1,0,1]=4 4367 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 4368 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 4369 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,1,0,1,0,0|2,0,0]=4 4370 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 4371 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 4372 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,1,0,1,0,0|2,0,0]=4 4373 B13R2.679 CNC(c1ccccc1)C2CC2 2230a_100000735078_200000210301 [0,1,0,1,0,0|2,0,0]=4 4374 B13R2.679 CNC(c1ccccc1)C2CC2 269862a_106832991636_100011218604 [0,1,0,1,0,0|2,0,0]=4 4375 B13R2.679 CNC(c1ccccc1)C2CC2 34a_100000735078_200000210301 [0,1,0,1,0,0|2,0,0]=4 4376 B13R2.679 COC(c1ccccc1)C2CC2 34a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 4377 B13R2.679 COC(c1ccccc1)C2CC2 7a_100011215866_200000210301 [0,1,0,1,0,0|1,0,0]=3 4378 B13R2.679 COC(c1cccnc1)C2CC2 34a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 4379 B13R2.679 COC(c1cccnc1)C2CC2 7a_100011376212_200000210301 [0,1,0,1,0,0|2,0,0]=4 4380 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 2230a_100000735078_200025704644 [0,1,0,1,0,0|2,0,0]=4 4381 B13R2.679 [13CH3]NC(c1ccccc1)C2CC2 34a_100000735078_200025704644 [0,1,0,1,0,0|2,0,0]=4 4382 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 34a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 4383 B13R2.679 [13CH3]OC(c1ccccc1)C2CC2 7a_100011215866_200025704644 [0,1,0,1,0,0|1,0,0]=3 4384 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 34a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 4385 B13R2.679 [13CH3]OC(c1cccnc1)C2CC2 7a_100011376212_200025704644 [0,1,0,1,0,0|2,0,0]=4 4386 B13R2.1613 CNC1CCCc2c1cccc2 269862a_106832991636_100000210882 [0,1,0,1,0,0|2,0,0]=4 4387 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,1,0,1,0,0|2,0,0]=4 4388 B13R2.1613 CNC1CCSc2c1cccc2 269862a_106832991636_100000183853 [0,1,0,1,0,0|2,0,0]=4 4389 B13R2.1613 CN[C@H]1CCCc2c1cccc2 34a_100020654734_200000210301 [0,1,0,1,0,0|2,0,0]=4 4390 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 4391 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,1,0,1,0,0|1,0,0]=3 4392 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,1,0,1,0,0|1,0,0]=3 4393 B13R2.1613 COC1COCc2c1cccc2 34a_100012179175_200000210301 [0,1,0,1,0,0|2,0,0]=4 4394 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,1,0,1,0,0|2,0,0]=4 4395 B13R2.1613 [13CH3]N[C@H]1CCCc2c1cccc2 34a_100020654734_200025704644 [0,1,0,1,0,0|2,0,0]=4 4396 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 4397 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,1,0,1,0,0|1,0,0]=3 4398 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,1,0,1,0,0|1,0,0]=3 4399 B13R2.1613 [13CH3]OC1COCc2c1cccc2 34a_100012179175_200025704644 [0,1,0,1,0,0|2,0,0]=4 4400 B13R2.2539 CNC1(CCC1)c2ccccc2 2230a_100000734848_200000210301 [0,1,0,1,0,0|2,0,0]=4 4401 B13R2.2539 COC1(COC1)c2ccccc2 7a_100009829368_200000210301 [0,1,0,1,0,0|2,0,0]=4 4402 B13R2.2539 [13CH3]NC1(CCC1)c2ccccc2 2230a_100000734848_200025704644 [0,1,0,1,0,0|2,0,0]=4 4403 B13R2.2539 [13CH3]OC1(COC1)c2ccccc2 7a_100009829368_200025704644 [0,1,0,1,0,0|2,0,0]=4 4404 B13R2.2931 CNC1CC(c2c1cccc2)C 269862a_106832991636_100000750356 [0,1,0,1,0,0|2,0,0]=4 4405 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,1,0,1,0,0|2,0,0]=4 4406 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,1,0,1,0,0|2,0,0]=4 4407 B13R2.147 Oc1ccc(cc1)C2CC(C2)O 271570a_203496583355_200000751978 [0,1,0,1,0,0|2,0,0]=4 4408 B13R2.520 Oc1ccc(cc1)C(O)C2CC2 271570a_203496583355_100000756592 [0,1,0,1,0,0|1,0,0]=3 4409 B13R2.2986 NC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100000746438 [0,1,0,1,0,0|2,0,0]=4 4410 B13R2.2986 Oc1ccc(cc1)C2(CCC2)O 271570a_203496583355_100010132843 [0,1,0,1,0,0|1,0,0]=3 4411 B13R2.2986 Oc1ccc(cc1)C2(COC2)O 271570a_203496583355_100010074357 [0,1,0,1,0,0|2,0,0]=4 4412 B13R2.5179 N[C@@H]1CCOc2c1ccc(c2)O 271570a_203496583355_100020639266 [0,1,0,1,0,0|2,0,0]=4 4413 B13R2.5179 N[C@H]1CCCc2c1ccc(c2)O 271570a_203496583355_100160469487 [0,1,0,1,0,0|2,0,0]=4 4414 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,1,0,1,0,0|1,0,0]=3 4415 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,1,0,1,0,0|2,0,0]=4 4416 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [0,1,0,1,0,0|2,0,0]=4 4417 B13R2.162 CC1CCNc2c1cc(cc2)O 271570a_203496583355_200013856564 [0,1,0,1,0,0|2,0,0]=4 4418 B13R2.162 NC1CCCc2c1cc(cc2)O 271570a_203496583355_100011742594 [0,1,0,1,0,0|2,0,0]=4 4419 B13R2.162 NC1CCSc2c1cc(cc2)O 271570a_203496583355_100000744474 [0,1,0,1,0,0|2,0,0]=4 4420 B13R2.162 N[C@H]1CCOc2c1cc(cc2)O 271570a_203496583355_100020639276 [0,1,0,1,0,0|2,0,0]=4 4421 B13R2.162 Oc1ccc2c(c1)C(CCC2)O 271570a_203496583355_100011660633 [0,1,0,1,0,0|1,0,0]=3 4422 B13R2.162 Oc1ccc2c(c1)C(CCO2)O 271570a_203496583355_100000760992 [0,1,0,1,0,0|1,0,0]=3 4423 B13R2.342 NC1CCCc2c1cccc2O 271570a_203496583355_100020639248 [0,1,0,1,0,0|2,0,0]=4 4424 B13R2.342 NC1CCOc2c1cccc2O 271570a_203496583355_100000727345 [0,1,0,1,0,0|2,0,0]=4 4425 B13R2.342 Oc1cccc2c1CCCC2O 271570a_203496583355_100009815610 [0,1,0,1,0,0|1,0,0]=3 4426 B13R2.3018 Oc1cccc(c1)C2(CCC2)O 271570a_203496583355_200010765678 [0,1,0,1,0,0|1,0,0]=3 4427 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,1,0,1,0,0|2,0,0]=4 4428 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,1,0,1,0,0|2,0,0]=4 4429 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,1,0,1,0,0|2,0,0]=4 4430 B13R2.690 CC(NC1CC1)c2ccccc2 34a_100000212008_100000211855 [0,1,0,1,0,0|2,0,0]=4 4431 B13R2.690 CC(SC1CC1)c2ccccc2 62a_100000230085_100000211595 [0,1,0,1,0,0|2,0,0]=4 4432 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,1,0,1,0,0|2,0,0]=4 4433 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,1,0,1,0,0|2,0,0]=4 4434 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,1,0,1,0,0|2,0,0]=4 4435 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,1,0,1,0,0|2,0,0]=4 4436 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,1,0,1,0,0|2,0,0]=4 4437 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100009813401_100011217306 [0,1,0,1,0,0|1,1,0]=4 4438 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100011217306_100009813401 [0,1,0,1,0,0|1,1,0]=4 4439 B13R2.1028 FCOCC1Cc2c1cccc2 34a_100012476685_100015361967 [0,1,0,1,0,0|1,1,0]=4 4440 B13R2.1028 FCOCC1Cc2c1cccc2 7a_100012476685_100015361967 [0,1,0,1,0,0|1,1,0]=4 4441 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100000211926_100009813401 [0,1,0,1,0,0|2,0,0]=4 4442 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100009813401_100000211926 [0,1,0,1,0,0|2,0,0]=4 4443 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,1,0,1,0,0|2,0,0]=4 4444 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,1,0,0|2,0,0]=4 4445 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,1,0,0|2,0,0]=4 4446 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|2,0,0]=4 4447 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,1,0,1,0,0|2,0,0]=4 4448 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,1,0,1,0,0|2,0,0]=4 4449 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,1,0,1,0,0|2,0,0]=4 4450 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,1,0,1,0,0|2,0,0]=4 4451 B13R2.238 CN1CC(C1)(O)c2ccccc2 2230a_100000717221_200000210301 [0,1,0,1,0,0|2,0,0]=4 4452 B13R2.238 CN1CC(C1)(O)c2ccccc2 269982a_100000717221_200000210301 [0,1,0,1,0,0|2,0,0]=4 4453 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 2230a_100000717221_200025704644 [0,1,0,1,0,0|2,0,0]=4 4454 B13R2.238 [13CH3]N1CC(C1)(O)c2ccccc2 269982a_100000717221_200025704644 [0,1,0,1,0,0|2,0,0]=4 4455 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,1,0,0|2,0,0]=4 4456 B13R2.18 Oc1ccccc1C2CCNC2 271570a_203496583355_100010170462 [0,1,0,1,0,0|2,0,0]=4 4457 B13R2.18 Oc1ccccc1C2OCCO2 271570a_203496583355_100009814316 [0,1,0,1,0,0|2,0,0]=4 4458 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|2,0,0]=4 4459 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|2,0,0]=4 4460 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|2,0,0]=4 4461 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|2,0,0]=4 4462 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,0,0,0,0,2|1,1,0]=4 4463 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,0,0,0,0,2|2,0,0]=4 4464 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,0,0,0,0,2|2,0,0]=4 4465 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,0,0,0,0,2|2,0,0]=4 4466 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,0,0,0,0,2|2,0,0]=4 4467 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,0,0,0,0,2|2,0,0]=4 4468 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,0,0,0,0,2|2,0,0]=4 4469 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,0,0,0,0,2|2,0,0]=4 4470 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,0,0,0,0,2|2,0,0]=4 4471 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,0,0,0,0,2|2,0,0]=4 4472 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,0,0,0,0,2|2,0,0]=4 4473 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,0,0,0,0,2|2,0,0]=4 4474 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,0,0,0,0,2|2,0,0]=4 4475 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,0,0,0,0,2|2,0,0]=4 4476 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,0,0,0,0,2|2,0,0]=4 4477 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,0,0,0,0,2|2,0,0]=4 4478 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,0,0,0,0,2|2,0,0]=4 4479 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,0,0,0,0,2|2,0,0]=4 4480 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,0,0,0,0,2|2,0,0]=4 4481 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,0,0,0,0,2|2,0,0]=4 4482 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,0,0,0,0,2|2,0,0]=4 4483 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,0,0,0,0,2|2,0,0]=4 4484 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,0,0,0,0,2|2,0,0]=4 4485 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,0,0,0,0,2|2,0,0]=4 4486 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,0,0,0,0,2|2,0,0]=4 4487 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,0,0,0,0,2|2,0,0]=4 4488 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,0,0,0,0,2|2,0,0]=4 4489 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,0,0,0,0,2|2,0,0]=4 4490 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,0,0,0,0,2|2,0,0]=4 4491 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,0,0,0,0,2|2,0,0]=4 4492 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,0,0,0,0,2|2,0,0]=4 4493 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,0,0,0,0,2|2,0,0]=4 4494 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,0,0,0,0,2|2,0,0]=4 4495 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,0,0,0,0,2|2,0,0]=4 4496 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,0,0,0,0,2|2,0,0]=4 4497 B13R1.42 N#CC[C@H](O)COc1ccccc1 7a_100000210340_100000001066 [0,0,0,0,0,2|1,0,1]=4 4498 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000001066_100000041952 [0,0,0,0,0,2|1,0,1]=4 4499 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000719477_100000001066 [0,0,0,0,0,2|1,0,1]=4 4500 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,0,0,0,0,2|2,0,0]=4 4501 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,0,0,0,0,2|2,0,0]=4