0 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,0,0,0,0,0|2,1,1]=4 9 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,0,0,0,0,0|2,1,1]=4 10 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,0,0,0,0,0|1,0,0]=1 21 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,0,0,0,0,0|1,0,0]=1 22 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,0,0,0,0,0|1,0,0]=1 23 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,0,0,0,0,0|1,0,1]=2 33 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,0,0,0,0,0|1,0,1]=2 34 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,0,0,0,0,0|1,0,1]=2 35 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,0,0,0,0,0|1,1,1]=3 36 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,0,0,0,0,0|1,1,1]=3 37 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,0,0,0,0,0|2,0,2]=4 57 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,0,0,0,0,0|2,0,2]=4 58 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,0,0,0,0,0|2,0,2]=4 61 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,0,0,0,0,0|2,0,2]=4 62 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,0,0,0,0,0|2,0,2]=4 63 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,0,0,0,0,0|2,0,0]=2 64 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,0,0,0,0,0|2,0,2]=4 69 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,0,0,0,0,0|2,0,2]=4 73 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,0,0,0,0,0|2,0,0]=2 74 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,0,0,0,0,0|2,0,0]=2 75 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,0,0,0,0,0|3,0,0]=3 81 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,0,0,0,0,0|3,0,1]=4 85 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,0,0,0,0,0|2,0,2]=4 86 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,0,0,0,0,0|2,0,2]=4 87 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,0,0,0,0,0|2,0,2]=4 92 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,0,0,0,0,0|2,0,2]=4 93 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,0,0,0,0,0|2,0,1]=3 94 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,0,0,0,0,0|2,0,1]=3 95 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,0,0,0,0,0|2,0,1]=3 96 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,0,0,0,0,0|2,0,2]=4 102 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,0,0,0,0,0|2,0,0]=2 104 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,0,0,0,0,0|2,0,0]=2 105 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,0,0,0,0,0|2,0,2]=4 114 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,0,0,0,0,0|2,0,2]=4 115 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,0,0,0,0,0|3,0,0]=3 116 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,0,0,0,0,0|2,0,2]=4 117 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,0,0,0,0,0|2,0,2]=4 118 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|1,1,1]=4 119 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|1,1,1]=4 120 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,0,0,0,0,0|0,0,0]=1 121 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 123 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,0,0|2,0,0]=3 124 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 125 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,0,0,0,0,0|1,0,0]=2 133 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 134 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 135 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,0,0,0,0,0|1,0,0]=2 136 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|1,0,1]=3 142 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|1,0,1]=3 143 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|1,0,1]=3 144 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|1,1,1]=4 145 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|1,1,1]=4 146 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|2,0,1]=4 147 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|1,0,1]=3 148 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|1,0,1]=3 149 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,0,0,0,0,0|1,0,0]=2 150 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,1]=3 152 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 157 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 158 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,0]=3 162 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|1,0,1]=3 170 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|1,0,1]=3 171 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|1,0,1]=3 172 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|1,0,1]=3 173 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|1,0,1]=3 174 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|2,0,1]=4 175 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|2,0,1]=4 177 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|2,0,1]=4 178 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|2,0,1]=4 179 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|2,0,1]=4 181 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|0,0,1]=2 183 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|0,0,1]=2 184 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|0,0,1]=2 185 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|1,0,1]=3 186 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|1,0,1]=3 187 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,0,0,0,0,0|2,0,1]=4 189 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.17 CCOCc1ncccn1 34a_100121572206_100000703007 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|0,1,1]=3 192 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|0,1,1]=3 193 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|1,1,1]=4 194 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|1,1,1]=4 195 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|1,1,1]=4 196 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|1,1,1]=4 197 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|1,1,1]=4 198 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|1,1,1]=4 199 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|2,0,1]=4 208 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|1,0,1]=3 225 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|1,0,1]=3 226 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|1,1,1]=4 227 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|1,1,1]=4 228 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|2,0,1]=4 236 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|3,0,0]=4 241 B12R1.3 C#CC(OCC)c1ccccc1 34a_100011219616_100000210202 [0,1,0,0,0,0|1,0,1]=3 242 B12R1.3 C#CC(OCC)c1ccccc1 7a_100011219616_100000210202 [0,1,0,0,0,0|1,0,1]=3 243 B12R1.3 C#CC(OCF)c1ccccc1 34a_100011219616_100015361967 [0,1,0,0,0,0|2,0,1]=4 244 B12R1.3 C#CC(OCF)c1ccccc1 7a_100011219616_100015361967 [0,1,0,0,0,0|2,0,1]=4 245 B12R1.3 C=CC(NCC)c1ccccc1 2230a_100015525214_200000085779 [0,1,0,0,0,0|2,0,1]=4 246 B12R1.3 C=CC(OCC)c1ccccc1 34a_100011215659_100000210202 [0,1,0,0,0,0|1,0,1]=3 247 B12R1.3 C=CC(OCC)c1ccccc1 7a_100011215659_100000210202 [0,1,0,0,0,0|1,0,1]=3 248 B12R1.3 C=CC(OCF)c1ccccc1 34a_100011215659_100015361967 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.3 C=CC(OCF)c1ccccc1 7a_100011215659_100015361967 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.3 C=CC(SCC)c1ccccc1 62a_100000210202_200000085779 [0,1,0,0,0,0|1,1,1]=4 251 B12R1.3 C=CC(SCC)c1ccccc1 62a_200000085779_100000210202 [0,1,0,0,0,0|1,1,1]=4 252 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,1,0,0,0,0|2,0,1]=4 253 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,1,0,0,0,0|2,0,1]=4 254 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,1,0,0,0,0|2,0,1]=4 258 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,1,0,0,0,0|2,0,1]=4 259 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,1,0,0,0,0|1,0,2]=4 260 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,1,0,0,0,0|1,0,2]=4 261 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,1,0,0,0,0|1,0,2]=4 262 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,1,0,0,0,0|1,0,2]=4 263 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 264 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 266 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [0,1,0,0,0,0|3,0,0]=4 269 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,1,0,0,0,0|2,0,1]=4 272 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,1,0,0,0,0|2,0,1]=4 273 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,1,0,0,0,0|1,0,2]=4 274 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|1,0,2]=4 275 B12R1.3 CCOC(C#N)c1ccccc1 7a_100011217353_100000210202 [0,1,0,0,0,0|1,0,1]=3 276 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [0,1,0,0,0,0|1,0,1]=3 277 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,1,0,0,0,0|1,0,1]=3 278 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,1,0,0,0,0|1,0,1]=3 279 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [0,1,0,0,0,0|1,0,1]=3 280 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [0,1,0,0,0,0|1,0,1]=3 281 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [0,1,0,0,0,0|1,0,1]=3 282 B12R1.3 FCOC(CBr)c1ccccc1 7a_100000185958_100015361967 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.3 FCO[C@H](CCl)c1ccccc1 34a_100011933945_100015361967 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.3 FCO[C@H](CCl)c1ccccc1 7a_100011933945_100015361967 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.3 N#CC(OCF)c1ccccc1 7a_100011217353_100015361967 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.16 C#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000184674 [0,1,0,0,0,0|1,0,2]=4 288 B12R1.16 C#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000184674 [0,1,0,0,0,0|1,0,2]=4 289 B12R1.16 C#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000184674 [0,1,0,0,0,0|1,0,2]=4 290 B12R1.16 C#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000184674 [0,1,0,0,0,0|1,0,2]=4 291 B12R1.16 C#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000184674 [0,1,0,0,0,0|1,0,2]=4 292 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,1,0,0,0,0|1,0,2]=4 293 B12R1.16 C=C(OCC)c1ccc(nn1)O 271570a_203496583355_100010989170 [0,1,0,0,0,0|3,0,0]=4 294 B12R1.16 C=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210623 [0,1,0,0,0,0|1,0,2]=4 295 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,1,0,0,0,0|1,0,2]=4 296 B12R1.16 C=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210623 [0,1,0,0,0,0|1,0,2]=4 297 B12R1.16 C=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210623 [0,1,0,0,0,0|1,0,2]=4 298 B12R1.16 C=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210623 [0,1,0,0,0,0|1,0,2]=4 299 B12R1.16 C=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210623 [0,1,0,0,0,0|1,0,2]=4 300 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,1,0,0,0,0|1,0,1]=3 301 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [0,1,0,0,0,0|2,0,1]=4 302 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.16 CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210303 [0,1,0,0,0,0|1,0,0]=2 307 B12R1.16 CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210303 [0,1,0,0,0,0|1,0,0]=2 308 B12R1.16 CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210303 [0,1,0,0,0,0|1,0,0]=2 309 B12R1.16 CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210303 [0,1,0,0,0,0|1,0,0]=2 310 B12R1.16 CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210303 [0,1,0,0,0,0|1,0,0]=2 311 B12R1.16 CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210303 [0,1,0,0,0,0|1,0,0]=2 312 B12R1.16 CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011267722 [0,1,0,0,0,0|1,0,0]=2 313 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,1,0,0,0,0|2,0,0]=3 314 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,1,0,0,0,0|1,0,2]=4 315 B12R1.16 CCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210303 [0,1,0,0,0,0|3,0,0]=4 316 B12R1.16 CCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210303 [0,1,0,0,0,0|3,0,0]=4 317 B12R1.16 CCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210303 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,1,0,0,0,0|3,0,0]=4 321 B12R1.16 CCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210303 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.16 CCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210303 [0,1,0,0,0,0|3,0,0]=4 323 B12R1.16 CCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210303 [0,1,0,0,0,0|3,0,0]=4 324 B12R1.16 CCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210303 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.16 CCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210303 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.16 CCCN(C)c1ccc(cc1)F 34a_100000219829_100000210303 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.16 CCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210303 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.16 CCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210303 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.16 CCCN(C)c1ccc(cc1)I 34a_100000743151_100000210303 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.16 CCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210303 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.16 CCCN(C)c1ccc(cc1)O 34a_100000182112_100000210303 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.16 CCNC(=O)c1ccc(cc1)Br 11a_100015525214_100000185839 [0,1,0,0,0,0|1,0,0]=2 333 B12R1.16 CCNC(=O)c1ccc(cc1)Br 240690a_100015525214_100000185839 [0,1,0,0,0,0|1,0,0]=2 334 B12R1.16 CCNC(=O)c1ccc(cc1)Br 527a_100015525214_100000185839 [0,1,0,0,0,0|1,0,0]=2 335 B12R1.16 CCNC(=O)c1ccc(cc1)C 11a_100015525214_100000188618 [0,1,0,0,0,0|1,0,0]=2 336 B12R1.16 CCNC(=O)c1ccc(cc1)C 240690a_100015525214_100000188618 [0,1,0,0,0,0|1,0,0]=2 337 B12R1.16 CCNC(=O)c1ccc(cc1)C 527a_100015525214_100000188618 [0,1,0,0,0,0|1,0,0]=2 338 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000210187 [0,1,0,0,0,0|1,0,0]=2 339 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000210187 [0,1,0,0,0,0|1,0,0]=2 340 B12R1.16 CCNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000210187 [0,1,0,0,0,0|1,0,0]=2 341 B12R1.16 CCNC(=O)c1ccc(cc1)F 11a_100015525214_100000187176 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.16 CCNC(=O)c1ccc(cc1)F 240690a_100015525214_100000187176 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.16 CCNC(=O)c1ccc(cc1)F 527a_100015525214_100000187176 [0,1,0,0,0,0|1,0,0]=2 344 B12R1.16 CCNC(=O)c1ccc(cc1)I 11a_100015525214_100000187904 [0,1,0,0,0,0|1,0,0]=2 345 B12R1.16 CCNC(=O)c1ccc(cc1)I 240690a_100015525214_100000187904 [0,1,0,0,0,0|1,0,0]=2 346 B12R1.16 CCNC(=O)c1ccc(cc1)I 527a_100015525214_100000187904 [0,1,0,0,0,0|1,0,0]=2 347 B12R1.16 CCNC(=O)c1ccc(cc1)O 240690a_100015525214_100000212099 [0,1,0,0,0,0|1,0,0]=2 348 B12R1.16 CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155177 [0,1,0,0,0,0|1,0,0]=2 349 B12R1.16 CCNC(=O)c1ccc(cc1)O 527a_100015525214_100000212099 [0,1,0,0,0,0|1,0,0]=2 350 B12R1.16 CCNC(=O)c1ccc(cn1)O 271570a_203496583355_200011781264 [0,1,0,0,0,0|2,0,0]=3 351 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,1,0,0,0,0|2,0,1]=4 354 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,1,0,0,0,0|2,0,1]=4 355 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,1,0,0,0,0|2,0,1]=4 356 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,1,0,0,0,0|2,0,1]=4 357 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,1,0,0,0,0|2,0,1]=4 358 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,1,0,0,0,0|2,0,1]=4 359 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,1,0,0,0,0|2,0,1]=4 363 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,1,0,0,0,0|2,0,1]=4 364 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,1,0,0,0,0|2,0,1]=4 366 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,1,0,0,0,0|2,0,1]=4 368 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.16 CCOC(=O)c1ccc(cc1)O 271570a_203496583355_100000170077 [0,1,0,0,0,0|0,0,0]=1 371 B12R1.16 CCOC(=O)c1ccc(cn1)O 271570a_203496583355_100011781174 [0,1,0,0,0,0|1,0,0]=2 372 B12R1.16 CCOC(=O)c1ccc(nc1)O 271570a_203496583355_100000170224 [0,1,0,0,0,0|1,0,0]=2 373 B12R1.16 CCOC(=O)c1ccc(nn1)O 271570a_203496583355_100011933454 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.16 CCOC(=O)c1cnc(cn1)O 271570a_203496583355_100000707868 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.16 CCOC(=O)c1cnc(nc1)O 271570a_203496583355_100011935661 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.16 CCOC(=O)c1ncc(cn1)O 271570a_203496583355_100010168878 [0,1,0,0,0,0|2,0,0]=3 377 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,1,0,0,0,0|1,0,1]=3 378 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,1,0,0,0,0|1,0,1]=3 379 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,1,0,0,0,0|1,0,1]=3 380 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,1,0,0,0,0|1,0,1]=3 381 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,1,0,0,0,0|1,0,1]=3 382 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,1,0,0,0,0|1,0,1]=3 383 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,1,0,0,0,0|1,0,1]=3 384 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,1,0,0,0,0|1,0,1]=3 385 B12R1.16 CCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210202 [0,1,0,0,0,0|2,0,1]=4 386 B12R1.16 CCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210202 [0,1,0,0,0,0|2,0,1]=4 387 B12R1.16 CCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210202 [0,1,0,0,0,0|2,0,1]=4 388 B12R1.16 CCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210202 [0,1,0,0,0,0|2,0,1]=4 389 B12R1.16 CCOC(C)c1ccc(nc1)C 34a_200011815720_100000210202 [0,1,0,0,0,0|2,0,1]=4 390 B12R1.16 CCOC(C)c1ccc(nc1)C 7a_200011815720_100000210202 [0,1,0,0,0,0|2,0,1]=4 391 B12R1.16 CCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210202 [0,1,0,0,0,0|2,0,1]=4 392 B12R1.16 CCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210202 [0,1,0,0,0,0|2,0,1]=4 393 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,1,0,0,0,0|1,0,1]=3 394 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,1,0,0,0,0|1,0,1]=3 395 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,1,0,0,0,0|1,0,1]=3 396 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,1,0,0,0,0|1,0,1]=3 397 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,1,0,0,0,0|1,1,1]=4 398 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,1,0,0,0,0|1,1,1]=4 399 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,1,0,0,0,0|1,1,1]=4 400 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,1,0,0,0,0|1,1,1]=4 401 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,1,0,0,0,0|1,1,1]=4 402 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,1,0,0,0,0|1,1,1]=4 403 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,1,0,0,0,0|1,1,1]=4 404 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,1,0,0,0,0|1,1,1]=4 405 B12R1.16 CNCC(=O)c1ccc(cc1)Br 34a_100102657272_100000188085 [0,1,0,0,0,0|2,0,0]=3 406 B12R1.16 CNCC(=O)c1ccc(cc1)Br 7a_106832991635_100000188085 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.16 CNCC(=O)c1ccc(cc1)C 2230a_106832991635_100000211441 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.16 CNCC(=O)c1ccc(cc1)C 34a_100102657272_100000211441 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.16 CNCC(=O)c1ccc(cc1)C 7a_106832991635_100000211441 [0,1,0,0,0,0|2,0,0]=3 410 B12R1.16 CNCC(=O)c1ccc(cc1)Cl 7a_106832991635_100000211071 [0,1,0,0,0,0|2,0,0]=3 411 B12R1.16 CNCC(=O)c1ccc(cc1)F 7a_106832991635_100000211279 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.16 CNCC(=O)c1ccc(cc1)I 34a_100102657272_100011216261 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.16 CNCC(=O)c1ccc(cc1)I 7a_106832991635_100011216261 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.16 CNCC(=O)c1ccc(cc1)O 34a_100102657272_100009814261 [0,1,0,0,0,0|2,0,0]=3 415 B12R1.16 CNCC(=O)c1ccc(cc1)O 7a_106832991635_100000018856 [0,1,0,0,0,0|2,0,0]=3 416 B12R1.16 CNCC(=O)c1ccc(cn1)Cl 7a_106832991635_100016989621 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.16 CNNC(=O)c1ccc(cc1)Br 22a_100016993582_100000185839 [0,1,0,0,0,0|2,0,0]=3 418 B12R1.16 CNNC(=O)c1ccc(cc1)C 22a_100016993582_100000188618 [0,1,0,0,0,0|2,0,0]=3 419 B12R1.16 CNNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000210187 [0,1,0,0,0,0|2,0,0]=3 420 B12R1.16 CNNC(=O)c1ccc(cc1)F 22a_100016993582_100000187176 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.16 CNNC(=O)c1ccc(cc1)I 22a_100016993582_100000187904 [0,1,0,0,0,0|2,0,0]=3 422 B12R1.16 CNNC(=O)c1ccc(cc1)O 22a_100016993582_100000212099 [0,1,0,0,0,0|2,0,0]=3 423 B12R1.16 COCC(=O)c1ccc(cc1)Br 34a_100138415774_100000188085 [0,1,0,0,0,0|2,0,0]=3 424 B12R1.16 COCC(=O)c1ccc(cc1)C 34a_100138415774_100000211441 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.16 COCC(=O)c1ccc(cc1)F 34a_100000246311_200000210301 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.16 COCC(=O)c1ccc(cc1)I 34a_100138415774_100011216261 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.16 COCC(=O)c1ccc(cc1)O 271570a_203496583355_200011343064 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.16 COCC(=O)c1ccc(cc1)O 34a_100138415774_100009814261 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.16 CSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000210301 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_100000211441_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.16 CSCC(=O)c1ccc(cc1)C 62a_200000210301_100000211441 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000210301 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.16 CSCC(=O)c1ccc(cc1)Cl 62a_200000210301_100000211071 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_100000211279_200000210301 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.16 CSCC(=O)c1ccc(cc1)F 62a_200000210301_100000211279 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_100011216261_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.16 CSCC(=O)c1ccc(cc1)I 62a_200000210301_100011216261 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_100009814261_200000210301 [0,1,0,0,0,0|2,0,0]=3 439 B12R1.16 CSCC(=O)c1ccc(cc1)O 62a_200000210301_100009814261 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_100016989621_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.16 CSCC(=O)c1ccc(cn1)Cl 62a_200000210301_100016989621 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_100012027583_200000210301 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.16 CSCC(=O)c1ccc(nc1)C 62a_200000210301_100012027583 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_100009864725_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.16 CSCC(=O)c1ccc(nc1)Cl 62a_200000210301_100009864725 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,1,0,0,0,0|2,0,1]=4 448 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,1,0,0,0,0|2,0,1]=4 449 B12R1.16 Cc1ccc(cc1)C(=O)CCF 1458a_100000188618_100011217306 [0,1,0,0,0,0|2,0,0]=3 450 B12R1.16 Cc1ccc(cc1)C(=O)CCO 1458a_100000188618_100000211926 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_100000211441_200025704644 [0,1,0,0,0,0|2,0,0]=3 452 B12R1.16 Cc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000211441 [0,1,0,0,0,0|2,0,0]=3 453 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_100012027583_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.16 Cc1ccc(cn1)C(=O)CS[13CH3] 62a_200025704644_100012027583 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.16 O=C(CCF)c1ccc(cc1)Br 1458a_100000185839_100011217306 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.16 O=C(CCF)c1ccc(cc1)Cl 1458a_100000210187_100011217306 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.16 O=C(CCF)c1ccc(cc1)F 1458a_100000187176_100011217306 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.16 O=C(CCF)c1ccc(cc1)I 1458a_100000187904_100011217306 [0,1,0,0,0,0|2,0,0]=3 467 B12R1.16 O=C(CCF)c1ccc(cc1)O 1458a_100000212099_100011217306 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.16 O=C(CCO)c1ccc(cc1)Br 1458a_100000185839_100000211926 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.16 O=C(CCO)c1ccc(cc1)F 1458a_100000187176_100000211926 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.16 O=C(CCO)c1ccc(cc1)I 1458a_100000187904_100000211926 [0,1,0,0,0,0|2,0,0]=3 472 B12R1.16 O=C(CCO)c1ccc(cc1)O 1458a_100000212099_100000211926 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.16 [13CH3]OCC(=O)c1ccc(cc1)F 34a_100000246311_200025704644 [0,1,0,0,0,0|2,0,0]=3 474 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Br 62a_100000188085_200025704644 [0,1,0,0,0,0|2,0,0]=3 475 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)Cl 62a_200025704644_100000211071 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_100000211279_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)F 62a_200025704644_100000211279 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_100011216261_200025704644 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)I 62a_200025704644_100011216261 [0,1,0,0,0,0|2,0,0]=3 481 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_100009814261_200025704644 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.16 [13CH3]SCC(=O)c1ccc(cc1)O 62a_200025704644_100009814261 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_100016989621_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.16 [13CH3]SCC(=O)c1ccc(cn1)Cl 62a_200025704644_100016989621 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_100009864725_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.16 [13CH3]SCC(=O)c1ccc(nc1)Cl 62a_200025704644_100009864725 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 34a_217856618577_100000210202 [0,1,0,0,0,0|1,0,1]=3 488 B12R1.16 [2H]C(OCC)c1ccc(cc1)F 7a_217856618577_100000210202 [0,1,0,0,0,0|1,0,1]=3 489 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 34a_217856618577_100015361967 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.16 [2H]C(OCF)c1ccc(cc1)F 7a_217856618577_100015361967 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.17 C#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000184674 [0,1,0,0,0,0|1,0,2]=4 492 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,1,0,0,0,0|1,0,2]=4 493 B12R1.17 C#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000184674 [0,1,0,0,0,0|1,0,2]=4 494 B12R1.17 C#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000184674 [0,1,0,0,0,0|1,0,2]=4 495 B12R1.17 C#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000184674 [0,1,0,0,0,0|1,0,2]=4 496 B12R1.17 C#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000184674 [0,1,0,0,0,0|1,0,2]=4 497 B12R1.17 C=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210623 [0,1,0,0,0,0|1,0,2]=4 498 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,1,0,0,0,0|1,0,2]=4 499 B12R1.17 C=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210623 [0,1,0,0,0,0|1,0,2]=4 500 B12R1.17 C=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210623 [0,1,0,0,0,0|1,0,2]=4 501 B12R1.17 C=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210623 [0,1,0,0,0,0|1,0,2]=4 502 B12R1.17 C=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210623 [0,1,0,0,0,0|1,0,2]=4 503 B12R1.17 CC(OCF)c1cccc(c1)Br 34a_100000246457_100015361967 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.17 CC(OCF)c1cccc(c1)Br 7a_100000246457_100015361967 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.17 CC(OCF)c1cccc(c1)F 34a_100000744526_100015361967 [0,1,0,0,0,0|2,0,1]=4 506 B12R1.17 CC(OCF)c1cccc(c1)F 7a_100000744526_100015361967 [0,1,0,0,0,0|2,0,1]=4 507 B12R1.17 CC(OCF)c1cccc(c1)I 34a_100013085317_100015361967 [0,1,0,0,0,0|2,0,1]=4 508 B12R1.17 CC(OCF)c1cccc(c1)I 7a_100013085317_100015361967 [0,1,0,0,0,0|2,0,1]=4 509 B12R1.17 CC(OCF)c1cccc(c1)N 34a_100011217120_100015361967 [0,1,0,0,0,0|2,0,1]=4 510 B12R1.17 CC(OCF)c1cccc(c1)N 7a_100011217120_100015361967 [0,1,0,0,0,0|2,0,1]=4 511 B12R1.17 CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210303 [0,1,0,0,0,0|1,0,0]=2 512 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,1,0,0,0,0|1,0,0]=2 513 B12R1.17 CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210303 [0,1,0,0,0,0|1,0,0]=2 514 B12R1.17 CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210303 [0,1,0,0,0,0|1,0,0]=2 515 B12R1.17 CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210303 [0,1,0,0,0,0|1,0,0]=2 516 B12R1.17 CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210303 [0,1,0,0,0,0|1,0,0]=2 517 B12R1.17 CCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210303 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.17 CCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210303 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.17 CCCN(C)c1cccc(c1)Br 34a_100000219648_100000210303 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.17 CCCN(C)c1cccc(c1)C 2230a_100000219674_100000210303 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.17 CCCN(C)c1cccc(c1)C 269982a_100000219674_100000210303 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.17 CCCN(C)c1cccc(c1)C 34a_100000219674_100000210303 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.17 CCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210303 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.17 CCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210303 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.17 CCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210303 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.17 CCCN(C)c1cccc(c1)F 2230a_100020633736_100000210303 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.17 CCCN(C)c1cccc(c1)F 269982a_100020633736_100000210303 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.17 CCCN(C)c1cccc(c1)F 34a_100020633736_100000210303 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.17 CCCN(C)c1cccc(c1)I 2230a_100000221217_100000210303 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.17 CCCN(C)c1cccc(c1)I 269982a_100000221217_100000210303 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.17 CCCN(C)c1cccc(c1)I 34a_100000221217_100000210303 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.17 CCCN(C)c1cccc(c1)O 2230a_100000756613_100000210303 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.17 CCCN(C)c1cccc(c1)O 269982a_100000756613_100000210303 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.17 CCCN(C)c1cccc(c1)O 34a_100000756613_100000210303 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.17 CCNC(=O)c1cc(ccn1)O 271570a_203496583355_100000194128 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.17 CCNC(=O)c1cccc(c1)Br 11a_100015525214_100000210664 [0,1,0,0,0,0|1,0,0]=2 537 B12R1.17 CCNC(=O)c1cccc(c1)Br 240690a_100015525214_100000210664 [0,1,0,0,0,0|1,0,0]=2 538 B12R1.17 CCNC(=O)c1cccc(c1)Br 527a_100015525214_100000210664 [0,1,0,0,0,0|1,0,0]=2 539 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,1,0,0,0,0|1,0,0]=2 540 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,1,0,0,0,0|1,0,0]=2 541 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,1,0,0,0,0|1,0,0]=2 542 B12R1.17 CCNC(=O)c1cccc(c1)Cl 11a_100015525214_100000210390 [0,1,0,0,0,0|1,0,0]=2 543 B12R1.17 CCNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000210390 [0,1,0,0,0,0|1,0,0]=2 544 B12R1.17 CCNC(=O)c1cccc(c1)Cl 527a_100015525214_100000210390 [0,1,0,0,0,0|1,0,0]=2 545 B12R1.17 CCNC(=O)c1cccc(c1)F 11a_100015525214_100000210950 [0,1,0,0,0,0|1,0,0]=2 546 B12R1.17 CCNC(=O)c1cccc(c1)F 240690a_100015525214_100000210950 [0,1,0,0,0,0|1,0,0]=2 547 B12R1.17 CCNC(=O)c1cccc(c1)F 527a_100015525214_100000210950 [0,1,0,0,0,0|1,0,0]=2 548 B12R1.17 CCNC(=O)c1cccc(c1)I 11a_100015525214_100000184098 [0,1,0,0,0,0|1,0,0]=2 549 B12R1.17 CCNC(=O)c1cccc(c1)I 240690a_100015525214_100000184098 [0,1,0,0,0,0|1,0,0]=2 550 B12R1.17 CCNC(=O)c1cccc(c1)I 527a_100015525214_100000184098 [0,1,0,0,0,0|1,0,0]=2 551 B12R1.17 CCNC(=O)c1cccc(c1)O 240690a_100015525214_100000183914 [0,1,0,0,0,0|1,0,0]=2 552 B12R1.17 CCNC(=O)c1cccc(c1)O 271570a_203496583355_100000155180 [0,1,0,0,0,0|1,0,0]=2 553 B12R1.17 CCNC(=O)c1cccc(c1)O 527a_100015525214_100000183914 [0,1,0,0,0,0|1,0,0]=2 554 B12R1.17 CCNC(=O)c1ccnc(c1)O 271570a_203496583355_100000229823 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,1,0,0,0,0|2,0,1]=4 557 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,1,0,0,0,0|2,0,1]=4 558 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,1,0,0,0,0|2,0,1]=4 559 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,1,0,0,0,0|2,0,1]=4 561 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,1,0,0,0,0|2,0,1]=4 562 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,1,0,0,0,0|2,0,1]=4 563 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.17 CCOC(=O)c1cc(ccn1)O 271570a_203496583355_100010210110 [0,1,0,0,0,0|1,0,0]=2 571 B12R1.17 CCOC(=O)c1cc(ncn1)O 271570a_203496583355_100009878719 [0,1,0,0,0,0|2,0,0]=3 572 B12R1.17 CCOC(=O)c1cccc(c1)O 271570a_203496583355_100000170211 [0,1,0,0,0,0|0,0,0]=1 573 B12R1.17 CCOC(=O)c1cccc(n1)O 271570a_203496583355_100000695914 [0,1,0,0,0,0|1,0,0]=2 574 B12R1.17 CCOC(=O)c1ccnc(c1)O 271570a_203496583355_100011213083 [0,1,0,0,0,0|1,0,0]=2 575 B12R1.17 CCOC(=O)c1ccnc(n1)O 271570a_203496583355_100000087789 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.17 CCOC(=O)c1cncc(c1)O 271570a_203496583355_100000170250 [0,1,0,0,0,0|1,0,0]=2 577 B12R1.17 CCOC(=O)c1cncc(n1)O 271570a_203496583355_100012185986 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.17 CCOC(=O)c1cnnc(c1)O 271570a_203496583355_100009853686 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.17 CCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210202 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,1,0,0,0,0|1,0,1]=3 581 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,1,0,0,0,0|1,0,1]=3 582 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,1,0,0,0,0|1,0,1]=3 583 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,1,0,0,0,0|1,0,1]=3 584 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,1,0,0,0,0|1,0,1]=3 585 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,1,0,0,0,0|1,0,1]=3 586 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,1,0,0,0,0|1,0,1]=3 587 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,1,0,0,0,0|1,0,1]=3 588 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,1,0,0,0,0|1,0,1]=3 589 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,1,0,0,0,0|1,0,1]=3 590 B12R1.17 CCOC(C)c1cccc(n1)Br 7a_100009820884_100000210202 [0,1,0,0,0,0|2,0,1]=4 591 B12R1.17 CCOC(C)c1cccc(n1)C 34a_200011877368_100000210202 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.17 CCOC(C)c1cccc(n1)C 7a_200011877368_100000210202 [0,1,0,0,0,0|2,0,1]=4 593 B12R1.17 CCOC(C)c1cncc(c1)Br 34a_100012351597_100000210202 [0,1,0,0,0,0|2,0,1]=4 594 B12R1.17 CCOC(C)c1cncc(c1)Br 7a_100012351597_100000210202 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,1,0,0,0,0|1,0,1]=3 596 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,1,0,0,0,0|1,0,1]=3 597 B12R1.17 CNCC(=O)c1cccc(c1)Br 2230a_106832991635_100000212080 [0,1,0,0,0,0|2,0,0]=3 598 B12R1.17 CNCC(=O)c1cccc(c1)Br 34a_100102657272_100000212080 [0,1,0,0,0,0|2,0,0]=3 599 B12R1.17 CNCC(=O)c1cccc(c1)Br 7a_106832991635_100000212080 [0,1,0,0,0,0|2,0,0]=3 600 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,1,0,0,0,0|2,0,0]=3 601 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,1,0,0,0,0|2,0,0]=3 602 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.17 CNCC(=O)c1cccc(c1)Cl 2230a_106832991635_100000211444 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.17 CNCC(=O)c1cccc(c1)Cl 34a_100102657272_100000211444 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.17 CNCC(=O)c1cccc(c1)Cl 7a_106832991635_100000211444 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.17 CNCC(=O)c1cccc(c1)F 2230a_106832991635_100000215616 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.17 CNCC(=O)c1cccc(c1)F 34a_100102657272_100000215616 [0,1,0,0,0,0|2,0,0]=3 608 B12R1.17 CNCC(=O)c1cccc(c1)O 34a_100102657272_100009813753 [0,1,0,0,0,0|2,0,0]=3 609 B12R1.17 CNCC(=O)c1cccc(c1)O 7a_106832991635_100009813753 [0,1,0,0,0,0|2,0,0]=3 610 B12R1.17 CNNC(=O)c1cccc(c1)Br 22a_100016993582_100000210664 [0,1,0,0,0,0|2,0,0]=3 611 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.17 CNNC(=O)c1cccc(c1)Cl 22a_100016993582_100000210390 [0,1,0,0,0,0|2,0,0]=3 613 B12R1.17 CNNC(=O)c1cccc(c1)F 22a_100016993582_100000210950 [0,1,0,0,0,0|2,0,0]=3 614 B12R1.17 CNNC(=O)c1cccc(c1)I 22a_100016993582_100000184098 [0,1,0,0,0,0|2,0,0]=3 615 B12R1.17 CNNC(=O)c1cccc(c1)O 22a_100016993582_100000183914 [0,1,0,0,0,0|2,0,0]=3 616 B12R1.17 COCC(=O)c1cccc(c1)Br 34a_100138415774_100000212080 [0,1,0,0,0,0|2,0,0]=3 617 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,1,0,0,0,0|2,0,0]=3 618 B12R1.17 COCC(=O)c1cccc(c1)Cl 34a_100138415774_100000211444 [0,1,0,0,0,0|2,0,0]=3 619 B12R1.17 COCC(=O)c1cccc(c1)Cl 7a_200011592804_200000210301 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100011592800_200000210301 [0,1,0,0,0,0|2,0,0]=3 621 B12R1.17 COCC(=O)c1cccc(c1)F 34a_100138415774_100000215616 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.17 COCC(=O)c1cccc(c1)F 7a_100011592800_200000210301 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.17 COCC(=O)c1cccc(c1)O 34a_100138415774_100009813753 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_100000212080_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.17 CSCC(=O)c1cccc(c1)Br 62a_200000210301_100000212080 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000210301 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.17 CSCC(=O)c1cccc(c1)Cl 62a_200000210301_100000211444 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_100000215616_200000210301 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.17 CSCC(=O)c1cccc(c1)F 62a_200000210301_100000215616 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_100009813753_200000210301 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.17 CSCC(=O)c1cccc(c1)O 62a_200000210301_100009813753 [0,1,0,0,0,0|2,0,0]=3 634 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_100009817076_200000210301 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.17 CSCC(=O)c1ccnc(c1)Cl 62a_200000210301_100009817076 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 34a_100000747380_100015361967 [0,1,0,0,0,0|2,0,1]=4 637 B12R1.17 C[C@@H](OCF)c1cccc(c1)Cl 7a_100000747380_100015361967 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,1,0,0,0,0|2,0,0]=3 640 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,1,0,0,0,0|2,0,0]=3 641 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,1,0,0,0,0|2,0,0]=3 642 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.17 Cc1cccc(c1)C(C)OCF 34a_100000757818_100015361967 [0,1,0,0,0,0|2,0,1]=4 644 B12R1.17 Cc1cccc(c1)C(C)OCF 7a_100000757818_100015361967 [0,1,0,0,0,0|2,0,1]=4 645 B12R1.17 N#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100011214920 [0,1,0,0,0,0|2,0,1]=4 646 B12R1.17 N#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011214920 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.17 N#CCC(=O)c1cccc(c1)F 1458a_100000210950_100011214920 [0,1,0,0,0,0|2,0,1]=4 648 B12R1.17 N#CCC(=O)c1cccc(c1)I 1458a_100000184098_100011214920 [0,1,0,0,0,0|2,0,1]=4 649 B12R1.17 N#CCC(=O)c1cccc(c1)O 1458a_100000183914_100011214920 [0,1,0,0,0,0|2,0,1]=4 650 B12R1.17 N#CCC(=O)c1cccc(c1)O 271570a_203496583355_100000740218 [0,1,0,0,0,0|2,0,1]=4 651 B12R1.17 O=C(CCF)c1cccc(c1)Br 1458a_100000210664_100011217306 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.17 O=C(CCF)c1cccc(c1)Cl 1458a_100000210390_100011217306 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.17 O=C(CCF)c1cccc(c1)F 1458a_100000210950_100011217306 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.17 O=C(CCF)c1cccc(c1)I 1458a_100000184098_100011217306 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.17 O=C(CCF)c1cccc(c1)O 1458a_100000183914_100011217306 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.17 O=C(CCO)c1cccc(c1)Br 1458a_100000210664_100000211926 [0,1,0,0,0,0|2,0,0]=3 657 B12R1.17 O=C(CCO)c1cccc(c1)Cl 1458a_100000210390_100000211926 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.17 O=C(CCO)c1cccc(c1)F 1458a_100000210950_100000211926 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.17 O=C(CCO)c1cccc(c1)I 1458a_100000184098_100000211926 [0,1,0,0,0,0|2,0,0]=3 660 B12R1.17 O=C(CCO)c1cccc(c1)O 1458a_100000183914_100000211926 [0,1,0,0,0,0|2,0,0]=3 661 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)Cl 7a_200011592804_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 34a_100011592800_200025704644 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.17 [13CH3]OCC(=O)c1cccc(c1)F 7a_100011592800_200025704644 [0,1,0,0,0,0|2,0,0]=3 664 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_100000212080_200025704644 [0,1,0,0,0,0|2,0,0]=3 665 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Br 62a_200025704644_100000212080 [0,1,0,0,0,0|2,0,0]=3 666 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_100000211444_200025704644 [0,1,0,0,0,0|2,0,0]=3 667 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)Cl 62a_200025704644_100000211444 [0,1,0,0,0,0|2,0,0]=3 668 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_100000215616_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)F 62a_200025704644_100000215616 [0,1,0,0,0,0|2,0,0]=3 670 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_100009813753_200025704644 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.17 [13CH3]SCC(=O)c1cccc(c1)O 62a_200025704644_100009813753 [0,1,0,0,0,0|2,0,0]=3 672 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_100009817076_200025704644 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.17 [13CH3]SCC(=O)c1ccnc(c1)Cl 62a_200025704644_100009817076 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.30 C#CCCC(=O)c1ccccc1 1458a_100000185807_100000753159 [0,1,0,0,0,0|1,0,1]=3 675 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [0,1,0,0,0,0|1,0,1]=3 676 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [0,1,0,0,0,0|1,0,1]=3 677 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [0,1,0,0,0,0|1,0,1]=3 678 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [0,1,0,0,0,0|1,0,1]=3 679 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [0,1,0,0,0,0|1,0,2]=4 680 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [0,1,0,0,0,0|1,0,2]=4 681 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [0,1,0,0,0,0|1,0,2]=4 682 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [0,1,0,0,0,0|1,0,1]=3 683 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,1,0,0,0,0|1,0,1]=3 684 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,1,0,0,0,0|1,0,1]=3 685 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,1,0,0,0,0|1,0,1]=3 686 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,1,0,0,0,0|1,0,1]=3 687 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,1,0,0,0,0|1,0,2]=4 688 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,1,0,0,0,0|1,0,2]=4 689 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,1,0,0,0,0|1,0,2]=4 690 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [0,1,0,0,0,0|1,0,1]=3 691 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [0,1,0,0,0,0|2,0,1]=4 692 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [0,1,0,0,0,0|2,0,1]=4 693 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,1,0,0,0,0|2,0,1]=4 694 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,1,0,0,0,0|2,0,1]=4 696 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,1,0,0,0,0|2,0,1]=4 698 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,1,0,0,0,0|1,0,1]=3 699 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,1,0,0,0,0|1,0,1]=3 700 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,1,0,0,0,0|1,1,1]=4 701 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,1,0,0,0,0|1,1,1]=4 702 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,1,0,0,0,0|1,1,1]=4 703 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,1,0,0,0,0|1,1,1]=4 704 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [0,1,0,0,0,0|1,0,1]=3 705 B12R1.30 CC=NNC(=O)c1ccccc1 4a_100000184135_200000210099 [0,1,0,0,0,0|1,0,1]=3 706 B12R1.30 CC=NNC(=O)c1ccccn1 4a_100000184044_200000210099 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.30 CC=NNC(=O)c1cccnc1 4a_100000189771_200000210099 [0,1,0,0,0,0|2,0,1]=4 708 B12R1.30 CC=NNC(=O)c1ccncc1 4a_100000189768_200000210099 [0,1,0,0,0,0|2,0,1]=4 709 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,1,0,0,0,0|1,0,0]=2 710 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,1,0,0,0,0|1,0,0]=2 720 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,1,0,0,0,0|1,0,0]=2 721 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,1,0,0,0,0|1,0,0]=2 722 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,1,0,0,0,0|1,0,0]=2 723 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,0,0,0,0|2,0,1]=4 724 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,0,0,0,0|2,0,1]=4 725 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,0,0,0,0|1,0,1]=3 726 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,0,0,0,0|1,0,1]=3 727 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,0,0,0,0|1,0,1]=3 728 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,0,0,0,0|1,1,1]=4 729 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,0,0,0,0|1,1,1]=4 730 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,0,0,0,0|2,0,1]=4 733 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,0,0,0,0|1,0,2]=4 735 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,0,0,0,0|1,0,2]=4 736 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,0,0,0,0|1,0,2]=4 737 B12R1.30 CCNN=C(C)c1ccccc1 4a_100000756455_100000185851 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.30 CCNN=C(C)c1ccccn1 4a_100000756455_100000210467 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.30 CCNN=C(C)c1cccnc1 4a_100000756455_100000210468 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.30 CCNN=C(C)c1ccncc1 4a_100000756455_100000185792 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,1,0,0,0,0|1,0,0]=2 742 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [0,1,0,0,0,0|1,0,0]=2 743 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,0,0,0,0|1,0,1]=3 744 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,0,0,0,0|1,0,1]=3 745 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,0,0,0,0|1,0,1]=3 746 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,0,0,0,0|0,0,2]=3 747 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [0,1,0,0,0,0|2,0,0]=3 748 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,0,0,0,0|1,0,1]=3 749 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,0,0,0,0|0,0,2]=3 751 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [0,1,0,0,0,0|0,1,0]=2 752 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [0,1,0,0,0,0|0,1,0]=2 753 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [0,1,0,0,0,0|1,1,0]=3 754 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [0,1,0,0,0,0|1,1,0]=3 755 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,1,0,0,0,0|1,1,0]=3 756 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,1,0,0,0,0|1,1,0]=3 757 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [0,1,0,0,0,0|1,1,0]=3 758 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [0,1,0,0,0,0|1,1,0]=3 759 B12R1.30 CCSCC(=O)c1ncccn1 62a_100000210202_100020636365 [0,1,0,0,0,0|2,1,0]=4 760 B12R1.30 CCSCC(=O)c1ncccn1 62a_100020636365_100000210202 [0,1,0,0,0,0|2,1,0]=4 761 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,0,0,0,0|1,1,1]=4 762 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,0,0,0,0|1,1,1]=4 763 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,0,0,0,0|0,1,2]=4 764 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,0,0,0,0|0,1,2]=4 765 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [0,1,0,0,0,0|1,1,0]=3 766 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,0,0,0,0|0,1,2]=4 767 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,0,0,0,0|0,1,2]=4 768 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [0,1,0,0,0,0|1,0,0]=2 778 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [0,1,0,0,0,0|1,0,0]=2 779 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,0,0,0,0|2,0,1]=4 780 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,0,0,0,0|1,0,2]=4 781 B12R1.30 CNCCS(=O)c1ccccc1 2230a_106832991635_100000740319 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.30 CNCCS(=O)c1ccccc1 7a_106832991635_100000740319 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,0,0,0,0|1,0,2]=4 784 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,0,0,0,0|1,0,2]=4 785 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,0,0,0,0|1,0,2]=4 786 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,1,0,0,0,0|0,0,0]=1 787 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [0,1,0,0,0,0|1,0,0]=2 788 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,0,0,0,0|1,0,2]=4 792 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,1,0,0,0,0|1,1,1]=4 795 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,1,0,0,0,0|1,1,1]=4 796 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [0,1,0,0,0,0|1,0,0]=2 797 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [0,1,0,0,0,0|1,0,0]=2 798 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [0,1,0,0,0,0|1,0,0]=2 799 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.30 CSCCS(=O)c1ccccc1 62a_200000210301_100000740319 [0,1,0,0,0,0|2,0,0]=3 803 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,0,0,0,0|1,0,2]=4 804 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,0,0,0,0|1,0,2]=4 805 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,1,0,0,0,0|2,0,1]=4 806 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,1,0,0,0,0|0,0,0]=1 807 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,1,0,0,0,0|0,0,0]=1 808 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,1,0,0,0,0|1,0,1]=3 809 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,1,0,0,0,0|1,1,1]=4 810 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,1,0,0,0,0|1,1,1]=4 811 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,1,0,0,0,0|2,0,1]=4 812 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [0,1,0,0,0,0|1,0,2]=4 814 B12R1.30 C[C@@H](OCC=O)c1ccccc1 34a_100000761318_200009817547 [0,1,0,0,0,0|1,0,2]=4 815 B12R1.30 C[C@@H](OCC=O)c1ccccc1 7a_100000761318_200015260668 [0,1,0,0,0,0|1,0,2]=4 816 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,1,0,0,0,0|1,0,1]=3 817 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,1,0,0,0,0|1,0,1]=3 818 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,1,0,0,0,0|1,0,1]=3 819 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,1,0,0,0,0|1,0,1]=3 820 B12R1.30 N#CCCC(=O)c1ccccc1 1458a_100000185807_100011215226 [0,1,0,0,0,0|1,0,1]=3 821 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,1,0,0,0,0|1,0,1]=3 822 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,1,0,0,0,0|1,0,1]=3 823 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,1,0,0,0,0|1,0,0]=2 825 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,1,0,0,0,0|1,0,0]=2 826 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [0,1,0,0,0,0|1,1,0]=3 827 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [0,1,0,0,0,0|1,1,0]=3 828 B12R1.30 O=C(CSCF)c1ccccn1 62a_100000027445_100015361967 [0,1,0,0,0,0|2,1,0]=4 829 B12R1.30 O=C(CSCF)c1ccccn1 62a_100015361967_100000027445 [0,1,0,0,0,0|2,1,0]=4 830 B12R1.30 O=C(CSCF)c1cccnc1 62a_100000757877_100015361967 [0,1,0,0,0,0|2,1,0]=4 831 B12R1.30 O=C(CSCF)c1cccnc1 62a_100015361967_100000757877 [0,1,0,0,0,0|2,1,0]=4 832 B12R1.30 O=C(CSCF)c1ccncc1 62a_100000027454_100015361967 [0,1,0,0,0,0|2,1,0]=4 833 B12R1.30 O=C(CSCF)c1ccncc1 62a_100015361967_100000027454 [0,1,0,0,0,0|2,1,0]=4 834 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,1,0,0,0,0|1,0,0]=2 835 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,1,0,0,0,0|1,0,0]=2 836 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,1,0,0,0,0|1,0,0]=2 837 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,1,0,0,0,0|1,0,0]=2 838 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,1,0,0,0,0|1,0,0]=2 839 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,1,0,0,0,0|1,0,0]=2 840 B12R1.30 O=S(CSCF)c1ccccc1 62a_100015361967_100000031784 [0,1,0,0,0,0|2,1,0]=4 841 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 843 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,0,0,0,0|1,0,2]=4 845 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [0,1,0,0,0,0|1,0,0]=2 847 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [0,1,0,0,0,0|1,0,0]=2 848 B12R1.30 [13CH3]SCCS(=O)c1ccccc1 62a_200025704644_100000740319 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,0,0,0,0|1,0,2]=4 850 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,0,0,0,0|1,0,2]=4 851 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,1,0,0,0,0|0,0,0]=1 852 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,1,0,0,0,0|0,0,0]=1 853 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,1,0,0,0,0|1,0,2]=4 854 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,0,0|2,0,0]=3 855 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,1,0,0,0,0|2,0,1]=4 858 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,0|2,0,0]=3 859 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|2,0,1]=4 861 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,1]=4 862 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|1,0,2]=4 867 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|1,0,0]=2 868 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [0,1,0,0,0,0|1,0,0]=2 872 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [0,1,0,0,0,0|1,0,0]=2 873 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [0,1,0,0,0,0|1,0,0]=2 874 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [0,1,0,0,0,0|1,0,0]=2 875 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,0,0,0,0|2,0,1]=4 876 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,0,0,0,0|2,0,1]=4 877 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,0,0,0,0|2,0,1]=4 878 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,0,0,0,0|2,0,1]=4 879 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,0|2,0,0]=3 881 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,0|2,0,0]=3 883 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [0,1,0,0,0,0|2,0,1]=4 884 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,1,0,0,0,0|2,0,1]=4 885 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,1,0,0,0,0|2,0,1]=4 886 B12R1.39 CCNS(=O)(=O)c1ccccc1 270084a_100015525214_100000210345 [0,1,0,0,0,0|2,0,0]=3 887 B12R1.39 CCNS(=O)(=O)c1ccccc1 274078a_100015525214_100000210345 [0,1,0,0,0,0|2,0,0]=3 888 B12R1.39 CCNS(=O)(=O)c1ccccc1 40a_100015525214_100000032697 [0,1,0,0,0,0|2,0,0]=3 889 B12R1.39 CCNS(=O)(=O)c1ccccn1 270084a_100015525214_100016994956 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.39 CCNS(=O)(=O)c1ccccn1 274078a_100015525214_100016994956 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.39 CCNS(=O)(=O)c1ccccn1 40a_100015525214_100000070048 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.39 CCNS(=O)(=O)c1cccnc1 270084a_100015525214_100000736704 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.39 CCNS(=O)(=O)c1cccnc1 274078a_100015525214_100000736704 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [0,1,0,0,0,0|1,0,1]=3 895 B12R1.39 CCOC(C)(C)c1ccccn1 7a_100000041474_100000210202 [0,1,0,0,0,0|2,0,1]=4 896 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [0,1,0,0,0,0|1,1,1]=4 897 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [0,1,0,0,0,0|1,1,1]=4 898 B12R1.39 CCSC(F)(F)c1ccccc1 62a_100000210202_100000036403 [0,1,0,0,0,0|1,1,1]=4 899 B12R1.39 CNCS(=O)(=O)c1ccccc1 34a_100102657272_200009813291 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.39 CNNS(=O)(=O)c1ccccc1 40a_100016993582_100000032697 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.39 COCS(=O)(=O)c1ccccc1 34a_100138415774_200009813291 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_100000240042_200000210301 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.39 CSCS(=O)(=O)c1ccccc1 62a_200000210301_100000240042 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_100000240042_200025704644 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.39 [13CH3]SCS(=O)(=O)c1ccccc1 62a_200025704644_100000240042 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,0|1,0,1]=3 907 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,1,0,0,0,0|1,0,2]=4 908 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,0|2,0,1]=4 909 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,0|2,0,1]=4 910 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,0|1,0,1]=3 911 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,0|2,0,1]=4 913 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,0|2,0,1]=4 914 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [0,1,0,0,0,0|1,0,0]=2 915 B12R1.107 CC(C)CN(C)c1ccccc1 2230a_100000210012_100000210760 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.107 CC(C)CN(C)c1ccccc1 269982a_100000210012_100000210624 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.107 CC(C)CN(C)c1ccccc1 34a_100000210012_100000210624 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,1,0,0,0,0|2,0,1]=4 919 B12R1.107 CC(C)NC(=O)c1ccccc1 11a_100138425928_100000185807 [0,1,0,0,0,0|1,0,0]=2 920 B12R1.107 CC(C)NC(=O)c1ccccc1 1626a_100138425928_100000185807 [0,1,0,0,0,0|1,0,0]=2 921 B12R1.107 CC(C)NC(=O)c1ccccc1 240690a_100138425928_100000185807 [0,1,0,0,0,0|1,0,0]=2 922 B12R1.107 CC(C)NC(=O)c1ccccc1 527a_100138425928_100000185807 [0,1,0,0,0,0|1,0,0]=2 923 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,0,0,0,0|2,0,1]=4 924 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,0,0,0,0|2,0,1]=4 925 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,0,0,0,0|2,0,1]=4 926 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,0,0,0,0|1,0,1]=3 927 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,0,0,0,0|1,0,1]=3 928 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,0,0,0,0|1,0,1]=3 929 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,1,0,0,0,0|1,1,1]=4 930 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,1,0,0,0,0|1,1,1]=4 931 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,0|1,0,0]=2 932 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.107 CN(C)CC(=O)c1ccccn1 269982a_100102631434_100000027445 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.107 CN(C)CC(=O)c1cccnc1 269982a_100102631434_100000757877 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.107 CN(C)CC(=O)c1ccncc1 269982a_100102631434_100000027454 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.107 CN(C)CS(=O)c1ccccc1 269982a_100102631434_100000031784 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,0,0|2,0,1]=4 944 B12R1.107 O=C(CC(F)F)c1ccccc1 1458a_100000185807_100011934356 [0,1,0,0,0,0|2,0,0]=3 945 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,0|2,0,1]=4 947 B12R1.308 C#CCC(=O)c1ccccc1Br 1458a_100000188424_100000184674 [0,1,0,0,0,0|1,0,2]=4 948 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [0,1,0,0,0,0|1,0,2]=4 949 B12R1.308 C#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000184674 [0,1,0,0,0,0|1,0,2]=4 950 B12R1.308 C#CCC(=O)c1ccccc1F 1458a_100000188656_100000184674 [0,1,0,0,0,0|1,0,2]=4 951 B12R1.308 C#CCC(=O)c1ccccc1I 1458a_100000187884_100000184674 [0,1,0,0,0,0|1,0,2]=4 952 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [0,1,0,0,0,0|1,0,2]=4 953 B12R1.308 C#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000184674 [0,1,0,0,0,0|1,0,2]=4 954 B12R1.308 C=CCC(=O)c1ccccc1Br 1458a_100000188424_100000210623 [0,1,0,0,0,0|1,0,2]=4 955 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [0,1,0,0,0,0|1,0,2]=4 956 B12R1.308 C=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210623 [0,1,0,0,0,0|1,0,2]=4 957 B12R1.308 C=CCC(=O)c1ccccc1F 1458a_100000188656_100000210623 [0,1,0,0,0,0|1,0,2]=4 958 B12R1.308 C=CCC(=O)c1ccccc1I 1458a_100000187884_100000210623 [0,1,0,0,0,0|1,0,2]=4 959 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [0,1,0,0,0,0|1,0,2]=4 960 B12R1.308 C=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210623 [0,1,0,0,0,0|1,0,2]=4 961 B12R1.308 CC(OCF)c1ccccc1Br 34a_100000702211_100015361967 [0,1,0,0,0,0|2,0,1]=4 962 B12R1.308 CC(OCF)c1ccccc1Br 7a_100000702211_100015361967 [0,1,0,0,0,0|2,0,1]=4 963 B12R1.308 CC(OCF)c1ccccc1Cl 34a_100000740796_100015361967 [0,1,0,0,0,0|2,0,1]=4 964 B12R1.308 CC(OCF)c1ccccc1Cl 7a_100000740796_100015361967 [0,1,0,0,0,0|2,0,1]=4 965 B12R1.308 CC(OCF)c1ccccc1F 34a_100000697922_100015361967 [0,1,0,0,0,0|2,0,1]=4 966 B12R1.308 CC(OCF)c1ccccc1F 7a_100000697922_100015361967 [0,1,0,0,0,0|2,0,1]=4 967 B12R1.308 CC(OCF)c1ccccc1N 7a_100011405641_100015361967 [0,1,0,0,0,0|2,0,1]=4 968 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [0,1,0,0,0,0|1,0,0]=2 969 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [0,1,0,0,0,0|1,0,0]=2 970 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [0,1,0,0,0,0|1,0,0]=2 971 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [0,1,0,0,0,0|1,0,0]=2 972 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [0,1,0,0,0,0|1,0,0]=2 973 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [0,1,0,0,0,0|1,0,0]=2 974 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [0,1,0,0,0,0|1,0,0]=2 975 B12R1.308 CCCN(C)c1ccccc1Br 2230a_100020606079_100000210303 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.308 CCCN(C)c1ccccc1Br 269982a_100020606079_100000210303 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.308 CCCN(C)c1ccccc1Br 34a_100020606079_100000210303 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.308 CCCN(C)c1ccccc1C 2230a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.308 CCCN(C)c1ccccc1C 269982a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.308 CCCN(C)c1ccccc1C 34a_100000219699_100000210303 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.308 CCCN(C)c1ccccc1Cl 2230a_100000219374_100000210303 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.308 CCCN(C)c1ccccc1Cl 269982a_100000219374_100000210303 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.308 CCCN(C)c1ccccc1Cl 34a_100000219374_100000210303 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.308 CCCN(C)c1ccccc1F 2230a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.308 CCCN(C)c1ccccc1F 2230a_100011231789_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.308 CCCN(C)c1ccccc1F 269982a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.308 CCCN(C)c1ccccc1F 269982a_100011231789_200000210301 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.308 CCCN(C)c1ccccc1F 34a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.308 CCCN(C)c1ccccc1F 34a_100011231789_200000210301 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.308 CCCN(C)c1ccccc1F 38a_100000220357_100000210303 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.308 CCCN(C)c1ccccc1O 269982a_100000033821_100000210303 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.308 CCCN([13CH3])c1ccccc1F 2230a_100011231789_200025704644 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.308 CCCN([13CH3])c1ccccc1F 269982a_100011231789_200025704644 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.308 CCCN([13CH3])c1ccccc1F 34a_100011231789_200025704644 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [0,1,0,0,0,0|1,0,0]=2 996 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [0,1,0,0,0,0|1,0,0]=2 997 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [0,1,0,0,0,0|1,0,0]=2 998 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [0,1,0,0,0,0|1,0,0]=2 999 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [0,1,0,0,0,0|1,0,0]=2 1000 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [0,1,0,0,0,0|1,0,0]=2 1001 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [0,1,0,0,0,0|1,0,0]=2 1002 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [0,1,0,0,0,0|1,0,0]=2 1003 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [0,1,0,0,0,0|1,0,0]=2 1004 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [0,1,0,0,0,0|1,0,0]=2 1005 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [0,1,0,0,0,0|1,0,0]=2 1006 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [0,1,0,0,0,0|1,0,0]=2 1007 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [0,1,0,0,0,0|1,0,0]=2 1008 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [0,1,0,0,0,0|1,0,0]=2 1009 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [0,1,0,0,0,0|1,0,0]=2 1010 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [0,1,0,0,0,0|1,0,0]=2 1011 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [0,1,0,0,0,0|1,0,0]=2 1012 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [0,1,0,0,0,0|1,0,0]=2 1013 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [0,1,0,0,0,0|1,0,0]=2 1014 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,1,0,0,0,0|2,0,0]=3 1015 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,1,0,0,0,0|2,0,1]=4 1016 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,1,0,0,0,0|2,0,1]=4 1017 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,1,0,0,0,0|2,0,1]=4 1018 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,1,0,0,0,0|2,0,1]=4 1019 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,1,0,0,0,0|2,0,1]=4 1020 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,1,0,0,0,0|2,0,1]=4 1021 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,1,0,0,0,0|2,0,1]=4 1022 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,1,0,0,0,0|2,0,1]=4 1024 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,1,0,0,0,0|2,0,1]=4 1025 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,1,0,0,0,0|2,0,1]=4 1026 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,1,0,0,0,0|2,0,1]=4 1027 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,1,0,0,0,0|2,0,1]=4 1028 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,1,0,0,0,0|2,0,1]=4 1029 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,0,0,0,0|2,0,1]=4 1030 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [0,1,0,0,0,0|0,0,0]=1 1031 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [0,1,0,0,0,0|1,0,0]=2 1032 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [0,1,0,0,0,0|1,0,0]=2 1033 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [0,1,0,0,0,0|1,0,0]=2 1034 B12R1.308 CCOC(=O)c1cncnc1O 271570a_203496583355_100011998183 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [0,1,0,0,0,0|1,0,0]=2 1036 B12R1.308 CCOC(=O)c1ncncc1O 271570a_203496583355_100012344254 [0,1,0,0,0,0|2,0,0]=3 1037 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,1,0,0,0,0|1,0,1]=3 1038 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,1,0,0,0,0|1,0,1]=3 1039 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,1,0,0,0,0|1,0,1]=3 1040 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,1,0,0,0,0|1,0,1]=3 1041 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,1,0,0,0,0|1,0,1]=3 1042 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,1,0,0,0,0|1,0,1]=3 1043 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,1,0,0,0,0|1,0,1]=3 1044 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,1,0,0,0,0|1,0,1]=3 1045 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,1,0,0,0,0|1,0,1]=3 1046 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,1,0,0,0,0|1,0,1]=3 1047 B12R1.308 CCOC(C)c1cccnc1Cl 34a_100009865335_100000210202 [0,1,0,0,0,0|2,0,1]=4 1048 B12R1.308 CCOC(C)c1cccnc1Cl 7a_100009865335_100000210202 [0,1,0,0,0,0|2,0,1]=4 1049 B12R1.308 CCOC(C)c1ccncc1F 34a_100012180158_100000210202 [0,1,0,0,0,0|2,0,1]=4 1050 B12R1.308 CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210202 [0,1,0,0,0,0|2,0,1]=4 1051 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,1,0,0,0,0|1,1,1]=4 1052 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,1,0,0,0,0|1,1,1]=4 1053 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,1,0,0,0,0|1,1,1]=4 1054 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,1,0,0,0,0|1,1,1]=4 1055 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [0,1,0,0,0,0|2,0,0]=3 1056 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [0,1,0,0,0,0|2,0,0]=3 1057 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [0,1,0,0,0,0|2,0,0]=3 1058 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [0,1,0,0,0,0|2,0,0]=3 1059 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [0,1,0,0,0,0|2,0,0]=3 1060 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [0,1,0,0,0,0|2,0,0]=3 1061 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [0,1,0,0,0,0|2,0,0]=3 1063 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [0,1,0,0,0,0|2,0,0]=3 1065 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [0,1,0,0,0,0|2,0,0]=3 1066 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [0,1,0,0,0,0|2,0,0]=3 1067 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [0,1,0,0,0,0|2,0,0]=3 1068 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [0,1,0,0,0,0|2,0,0]=3 1069 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [0,1,0,0,0,0|2,0,0]=3 1071 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [0,1,0,0,0,0|2,0,0]=3 1072 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [0,1,0,0,0,0|2,0,0]=3 1074 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [0,1,0,0,0,0|2,0,0]=3 1075 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [0,1,0,0,0,0|2,0,0]=3 1076 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [0,1,0,0,0,0|2,0,0]=3 1077 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [0,1,0,0,0,0|2,0,0]=3 1078 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [0,1,0,0,0,0|2,0,0]=3 1080 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [0,1,0,0,0,0|2,0,0]=3 1081 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [0,1,0,0,0,0|2,0,1]=4 1084 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [0,1,0,0,0,0|2,0,0]=3 1085 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [0,1,0,0,0,0|2,0,0]=3 1086 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [0,1,0,0,0,0|2,0,0]=3 1087 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [0,1,0,0,0,0|2,0,0]=3 1088 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [0,1,0,0,0,0|2,0,1]=4 1089 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.308 N#CCC(=O)c1ccccc1Br 1458a_100000188424_100011214920 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.308 N#CCC(=O)c1ccccc1Cl 1458a_100000185844_100011214920 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.308 N#CCC(=O)c1ccccc1F 1458a_100000188656_100011214920 [0,1,0,0,0,0|2,0,1]=4 1093 B12R1.308 N#CCC(=O)c1ccccc1I 1458a_100000187884_100011214920 [0,1,0,0,0,0|2,0,1]=4 1094 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [0,1,0,0,0,0|2,0,1]=4 1095 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [0,1,0,0,0,0|2,0,1]=4 1096 B12R1.308 N#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100011214920 [0,1,0,0,0,0|2,0,1]=4 1097 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [0,1,0,0,0,0|2,0,0]=3 1098 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [0,1,0,0,0,0|2,0,0]=3 1099 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [0,1,0,0,0,0|2,0,0]=3 1102 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [0,1,0,0,0,0|2,0,0]=3 1103 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [0,1,0,0,0,0|2,0,0]=3 1104 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [0,1,0,0,0,0|2,0,0]=3 1105 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [0,1,0,0,0,0|2,0,0]=3 1106 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [0,1,0,0,0,0|2,0,0]=3 1107 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [0,1,0,0,0,0|2,0,0]=3 1108 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [0,1,0,0,0,0|2,0,0]=3 1109 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [0,1,0,0,0,0|2,0,0]=3 1110 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [0,1,0,0,0,0|2,0,0]=3 1111 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [0,1,0,0,0,0|2,0,0]=3 1112 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [0,1,0,0,0,0|2,0,0]=3 1113 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [0,1,0,0,0,0|2,0,0]=3 1114 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [0,1,0,0,0,0|2,0,0]=3 1115 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [0,1,0,0,0,0|2,0,0]=3 1116 B10R0.19 C=CCNC(=O)C(=O)OCC 1626a_100020586998_100014798877 [0,0,1,0,0,0|2,0,1]=4 1117 B10R0.19 C=CCNC(=O)C(=O)OCC 240690a_100020586998_100014798877 [0,0,1,0,0,0|2,0,1]=4 1118 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,1,0,0|2,0,0]=3 1119 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,0,0,1,0,0|3,0,0]=4 1120 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,0,0,1,0,0|3,0,0]=4 1121 B12R2.2 C1=C(CCC1)c2ccncc2 271570a_100000089523_100000035832 [0,0,0,1,0,0|3,0,0]=4 1122 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,0,0,1,0,0|3,0,0]=4 1123 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,0,0,1,0,0|3,0,0]=4 1124 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [0,0,0,1,0,0|1,0,2]=4 1125 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [0,0,0,1,0,0|1,0,2]=4 1126 B12R2.2 c1ccc(cc1)c2cnco2 271570a_100011218836_100020591547 [0,0,0,1,0,0|2,0,1]=4 1127 B12R2.2 c1ccc(cc1)c2ncco2 271570a_100011218836_100011787736 [0,0,0,1,0,0|1,0,2]=4 1128 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,0,1,0,0|1,1,1]=4 1129 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,0,1,0,0|1,1,1]=4 1130 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [0,0,0,1,0,0|2,0,1]=4 1131 B12R2.2075 C=C(c1ccccc1)C2CC2 271570a_100010895485_100000210277 [0,0,0,1,0,0|2,0,0]=3 1132 B12R2.2075 C=C(c1ccccn1)C2CC2 271570a_100010895485_100011216584 [0,0,0,1,0,0|3,0,0]=4 1133 B12R2.2075 C=C(c1cccnc1)C2CC2 271570a_100010895485_100000752921 [0,0,0,1,0,0|3,0,0]=4 1134 B12R2.2075 C=C(c1ccncc1)C2CC2 271570a_100010895485_100000035832 [0,0,0,1,0,0|3,0,0]=4 1135 B12R2.2075 CN(c1ccccc1)C2CC2 269982a_100000210012_100000211595 [0,0,0,1,0,0|3,0,0]=4 1136 B12R2.2075 CN(c1ccccc1)C2CC2 34a_100000210012_100000211595 [0,0,0,1,0,0|3,0,0]=4 1137 B10R1.11 CCOC(C)c1ccsc1 34a_100011350980_100000210202 [0,0,0,0,1,0|2,0,1]=4 1138 B10R1.11 CCOC(C)c1ccsc1 7a_100011350980_100000210202 [0,0,0,0,1,0|2,0,1]=4 1139 B10R1.11 CCO[C@@H](C)c1ccco1 34a_100000755270_100000210202 [0,0,0,0,1,0|2,0,1]=4 1140 B10R1.11 CCO[C@@H](C)c1ccco1 7a_100000755270_100000210202 [0,0,0,0,1,0|2,0,1]=4 1141 B10R1.11 CCO[C@H](C)c1cccs1 7a_100000750433_100000210202 [0,0,0,0,1,0|2,0,1]=4 1142 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,0,0,0,1,0|3,0,0]=4 1143 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,0,0,0,1,0|3,0,0]=4 1144 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,0,0,0,1,0|3,0,0]=4 1145 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,0,0,0,1,0|3,0,0]=4 1146 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,0,0,0,1,0|3,0,0]=4 1147 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,0,0,0,1,0|3,0,0]=4 1148 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,0,0,0,1,0|3,0,0]=4 1149 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,0,0,0,1,0|3,0,0]=4 1150 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,0,0,0,1,0|3,0,0]=4 1151 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,0,0,0,1,0|3,0,0]=4 1152 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,0,0,0,1,0|3,0,0]=4 1153 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,0,0,0,1,0|3,0,0]=4 1154 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,0,0,0,1,0|3,0,0]=4 1155 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,0,0,0,1,0|3,0,0]=4 1156 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,0,0,0,1,0|3,0,0]=4 1157 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,0,0,0,1,0|3,0,0]=4 1158 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,0,0,0,1,0|3,0,0]=4 1159 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,0,0,0,1,0|3,0,0]=4 1160 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,0,0,0,1,0|3,0,0]=4 1161 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,0,0,0,1,0|3,0,0]=4 1162 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,0,0,0,1,0|3,0,0]=4 1163 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,0,0,0,1,0|3,0,0]=4 1164 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,0,0,0,1,0|3,0,0]=4 1165 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,0,0,0,1,0|3,0,0]=4 1166 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,0,0,0,0,1|1,0,2]=4 1167 B12R1.32 C#CCC(=O)Nc1ccccc1 1626a_100000106764_100011220946 [0,0,0,0,0,1|1,0,2]=4 1168 B12R1.32 C#CCC(=O)Nc1ccccc1 527a_100000106764_100011220946 [0,0,0,0,0,1|1,0,2]=4 1169 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,0,0,0,0,1|3,0,0]=4 1170 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,0,0,0,0,1|3,0,0]=4 1171 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,0,0,0,0,1|1,0,2]=4 1172 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [0,0,0,0,0,1|1,0,2]=4 1173 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [0,0,0,0,0,1|1,0,2]=4 1174 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [0,0,0,0,0,1|1,0,2]=4 1175 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [0,0,0,0,0,1|1,0,2]=4 1176 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,0,0,0,0,1|1,0,1]=3 1177 B12R1.32 CC#CC(=O)Cc1ccccn1 1458a_100000763181_100000721315 [0,0,0,0,0,1|2,0,1]=4 1178 B12R1.32 CC#CC(=O)Cc1cccnc1 1458a_100000763181_100000733263 [0,0,0,0,0,1|2,0,1]=4 1179 B12R1.32 CC#CC(=O)Cc1ccncc1 1458a_100000763181_100000705612 [0,0,0,0,0,1|2,0,1]=4 1180 B12R1.32 CC#CC(=O)Nc1ccccc1 22a_100000106764_100000763181 [0,0,0,0,0,1|1,0,1]=3 1181 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,0,0,0,0,1|2,0,1]=4 1182 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,0,0,0,0,1|2,0,1]=4 1183 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,0,0,0,0,1|1,0,1]=3 1184 B12R1.32 CC=CC(=O)Cc1ccccn1 1458a_100000210699_100000721315 [0,0,0,0,0,1|2,0,1]=4 1185 B12R1.32 CC=CC(=O)Cc1cccnc1 1458a_100000210699_100000733263 [0,0,0,0,0,1|2,0,1]=4 1186 B12R1.32 CC=CC(=O)Cc1ccncc1 1458a_100000210699_100000705612 [0,0,0,0,0,1|2,0,1]=4 1187 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [0,0,0,0,0,1|1,0,1]=3 1188 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [0,0,0,0,0,1|1,0,1]=3 1189 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [0,0,0,0,0,1|1,0,1]=3 1190 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [0,0,0,0,0,1|2,0,0]=3 1191 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,0,0,0,0,1|1,0,0]=2 1192 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [0,0,0,0,0,1|2,0,0]=3 1193 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [0,0,0,0,0,1|2,0,0]=3 1194 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,0,0,0,0,1|2,0,0]=3 1195 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,0,0,0,0,1|2,0,0]=3 1196 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,0,0,0,0,1|3,0,0]=4 1197 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [0,0,0,0,0,1|2,0,0]=3 1198 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,0,0,0,0,1|3,0,0]=4 1199 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000211992_100015196519 [0,0,0,0,0,1|3,0,0]=4 1200 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000721575_100000210303 [0,0,0,0,0,1|3,0,0]=4 1201 B12R1.32 CCCC(=O)Cc1ncccn1 1458a_100000211992_100000703007 [0,0,0,0,0,1|3,0,0]=4 1202 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [0,0,0,0,0,1|1,0,0]=2 1203 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [0,0,0,0,0,1|1,0,0]=2 1204 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [0,0,0,0,0,1|1,0,0]=2 1205 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [0,0,0,0,0,1|1,0,0]=2 1206 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,0,0,0,0,1|2,0,1]=4 1207 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,0,0,0,0,1|2,0,1]=4 1208 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,0,0,0,0,1|2,0,1]=4 1209 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,0,0,0,0,1|2,0,1]=4 1210 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,0,0,0,0,1|2,0,1]=4 1211 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,0,0,0,0,1|3,0,0]=4 1212 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,0,0,0,0,1|3,0,0]=4 1213 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,0,0,0,0,1|3,0,0]=4 1214 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,0,0,0,0,1|3,0,0]=4 1215 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,0,0,0,0,1|3,0,0]=4 1216 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,0,0,0,0,1|3,0,0]=4 1217 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,0,0,0,0,1|3,0,0]=4 1218 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,0,0,0,0,1|3,0,0]=4 1219 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,0,0,0,0,1|3,0,0]=4 1220 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,0,0,0,0,1|2,0,0]=3 1221 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,0,0,0,0,1|2,0,0]=3 1222 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,0,0,0,0,1|2,0,0]=3 1223 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,0,0,0,0,1|2,0,0]=3 1224 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,0,0,0,0,1|2,0,0]=3 1225 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,0,0,0,0,1|2,0,0]=3 1226 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,0,0,0,0,1|2,0,0]=3 1227 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,0,0,0,0,1|2,0,0]=3 1228 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,0,0,0,0,1|2,0,0]=3 1229 B12R1.32 CCNC(=O)Cc1cnccn1 11a_100015525214_100000726051 [0,0,0,0,0,1|3,0,0]=4 1230 B12R1.32 CCNC(=O)Cc1cnccn1 240690a_100015525214_100000726051 [0,0,0,0,0,1|3,0,0]=4 1231 B12R1.32 CCNC(=O)Cc1cnccn1 527a_100015525214_100000726051 [0,0,0,0,0,1|3,0,0]=4 1232 B12R1.32 CCNC(=O)Cc1cncnc1 11a_100015525214_100000721575 [0,0,0,0,0,1|3,0,0]=4 1233 B12R1.32 CCNC(=O)Cc1cncnc1 240690a_100015525214_100000721575 [0,0,0,0,0,1|3,0,0]=4 1234 B12R1.32 CCNC(=O)Cc1cncnc1 527a_100015525214_100000721575 [0,0,0,0,0,1|3,0,0]=4 1235 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,0,0,0,0,1|1,0,0]=2 1236 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,0,0,0,0,1|1,0,1]=3 1237 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,0,0,0,0,1|1,0,1]=3 1238 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,0,0,0,0,1|1,0,1]=3 1239 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,0,0,0,0,1|1,1,1]=4 1240 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,0,0,0,0,1|1,1,1]=4 1241 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,0,0,0,0,1|2,0,0]=3 1242 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,0,0,0,0,1|2,0,0]=3 1243 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,0,0,0,0,1|2,0,0]=3 1244 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,0,0,0,0,1|2,0,0]=3 1245 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,0,0,0,0,1|2,0,0]=3 1246 B12R1.32 CNCC(=O)Nc1ccccn1 2230a_106832991635_100020662008 [0,0,0,0,0,1|3,0,0]=4 1247 B12R1.32 CNCC(=O)Nc1ccccn1 7a_106832991635_100020662008 [0,0,0,0,0,1|3,0,0]=4 1248 B12R1.32 CNCC(=O)Nc1ccncc1 2230a_106832991635_100000754145 [0,0,0,0,0,1|3,0,0]=4 1249 B12R1.32 CNCC(=O)Nc1ccncc1 7a_106832991635_100000754145 [0,0,0,0,0,1|3,0,0]=4 1250 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,0,0,0,0,1|2,0,0]=3 1251 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,0,0,0,0,1|2,0,0]=3 1252 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,0,0,0,0,1|2,0,0]=3 1253 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,0,0,0,0,1|3,0,0]=4 1255 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,0,0,0,0,1|3,0,0]=4 1256 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,0,0,0,0,1|3,0,0]=4 1259 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,0,0,0,0,1|2,0,0]=3 1260 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,0,0,0,0,1|2,0,0]=3 1264 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,0,0,0,0,1|2,0,0]=3 1265 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,0,0,0,0,1|2,0,0]=3 1266 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,0,0,0,0,1|2,0,0]=3 1267 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,0,0,0,0,1|2,0,0]=3 1268 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,0,0,0,0,1|2,0,0]=3 1269 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,0,0,0,0,1|2,0,0]=3 1270 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,0,0,0,0,1|2,0,0]=3 1271 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,0,0,0,0,1|2,0,0]=3 1272 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,0,0,0,0,1|2,0,0]=3 1273 B12R1.32 CSCC(=O)Cc1ccccn1 1458a_100000184570_100000721315 [0,0,0,0,0,1|3,0,0]=4 1274 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,0,0,0,0,1|3,0,0]=4 1275 B12R1.32 CSCC(=O)Cc1ccncc1 1458a_100000184570_100000705612 [0,0,0,0,0,1|3,0,0]=4 1276 B12R1.32 CSCC(=O)Nc1ccccc1 11a_100000106764_100000184570 [0,0,0,0,0,1|2,0,0]=3 1277 B12R1.32 CSCC(=O)Nc1ccccc1 1626a_100000106764_100000184570 [0,0,0,0,0,1|2,0,0]=3 1278 B12R1.32 CSCC(=O)Nc1ccccc1 22a_100000106764_100000184570 [0,0,0,0,0,1|2,0,0]=3 1279 B12R1.32 CSCC(=O)Nc1ccccc1 527a_100000106764_100000184570 [0,0,0,0,0,1|2,0,0]=3 1280 B12R1.32 CSCC(=O)Nc1ccccc1 62a_100012148978_200000210301 [0,0,0,0,0,1|2,0,0]=3 1281 B12R1.32 CSCC(=O)Nc1ccccc1 62a_200000210301_100000182850 [0,0,0,0,0,1|2,0,0]=3 1282 B12R1.32 CSCC(=O)Nc1ccccn1 62a_100020662008_200000210301 [0,0,0,0,0,1|3,0,0]=4 1283 B12R1.32 CSCC(=O)Nc1ccccn1 62a_200000210301_100020662008 [0,0,0,0,0,1|3,0,0]=4 1284 B12R1.32 CSCC(=O)Nc1ccncc1 62a_200000210301_100000754145 [0,0,0,0,0,1|3,0,0]=4 1285 B12R1.32 CSCC(=O)Oc1ccccc1 62a_100009813826_200000210301 [0,0,0,0,0,1|2,0,0]=3 1286 B12R1.32 CSCC(=O)Oc1ccccc1 62a_200000210301_100009813826 [0,0,0,0,0,1|2,0,0]=3 1287 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,0,0,0,0,1|2,0,1]=4 1288 B12R1.32 N#CCC(=O)Nc1ccccc1 1626a_100000106764_100051588842 [0,0,0,0,0,1|2,0,1]=4 1289 B12R1.32 N#CCC(=O)Nc1ccccc1 22a_100000106764_100051588842 [0,0,0,0,0,1|2,0,1]=4 1290 B12R1.32 O=C(C=CBr)Cc1ccccc1 1458a_100016273825_100015291786 [0,0,0,0,0,1|2,0,1]=4 1291 B12R1.32 O=C(C=CBr)Nc1ccccc1 1626a_100000106764_100016273825 [0,0,0,0,0,1|2,0,1]=4 1292 B12R1.32 O=C(C=CCl)Cc1ccccc1 1458a_200016279998_100015291786 [0,0,0,0,0,1|2,0,1]=4 1293 B12R1.32 O=C(C=CCl)Nc1ccccc1 11a_100000106764_200016279998 [0,0,0,0,0,1|2,0,1]=4 1294 B12R1.32 O=C(C=CCl)Nc1ccccc1 1626a_100000106764_200016279998 [0,0,0,0,0,1|2,0,1]=4 1295 B12R1.32 O=C(C=CI)Cc1ccccc1 1458a_100016256311_100015291786 [0,0,0,0,0,1|2,0,1]=4 1296 B12R1.32 O=C(C=CI)Nc1ccccc1 1626a_100000106764_100016256311 [0,0,0,0,0,1|2,0,1]=4 1297 B12R1.32 O=C(CCF)C[n+]1ccccc1 1458a_200000086051_100011217306 [0,0,0,0,0,1|3,0,0]=4 1298 B12R1.32 O=C(CCF)Cc1ccccn1 1458a_100000233486_100011217306 [0,0,0,0,0,1|3,0,0]=4 1299 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,0,0,0,0,1|3,0,0]=4 1300 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,0,0,0,0,1|3,0,0]=4 1301 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,0,0,0,0,1|2,0,0]=3 1302 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,0,0,0,0,1|3,0,0]=4 1303 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,0,0,0,0,1|3,0,0]=4 1304 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,0,0,0,0,1|3,0,0]=4 1305 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,0,0,0,0,1|3,0,0]=4 1306 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,0,0,0,0,1|3,0,0]=4 1307 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,0,0,0,0,1|2,0,0]=3 1308 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,0,0,0,0,1|2,0,0]=3 1309 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,0,0,0,0,1|2,0,0]=3 1310 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,0,0,0,0,1|2,0,0]=3 1311 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_100012148978_200025704644 [0,0,0,0,0,1|2,0,0]=3 1312 B12R1.32 [13CH3]SCC(=O)Nc1ccccc1 62a_200025704644_100000182850 [0,0,0,0,0,1|2,0,0]=3 1313 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_100020662008_200025704644 [0,0,0,0,0,1|3,0,0]=4 1314 B12R1.32 [13CH3]SCC(=O)Nc1ccccn1 62a_200025704644_100020662008 [0,0,0,0,0,1|3,0,0]=4 1315 B12R1.32 [13CH3]SCC(=O)Nc1ccncc1 62a_200025704644_100000754145 [0,0,0,0,0,1|3,0,0]=4 1316 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_100009813826_200025704644 [0,0,0,0,0,1|2,0,0]=3 1317 B12R1.32 [13CH3]SCC(=O)Oc1ccccc1 62a_200025704644_100009813826 [0,0,0,0,0,1|2,0,0]=3 1318 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,0,1,0,0,0|1,0,1]=4 1319 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [1,0,1,0,0,0|1,0,1]=4 1320 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [1,0,1,0,0,0|1,0,1]=4 1321 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|1,0,0]=3 1322 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [2,0,0,0,0,0|2,0,0]=4 1323 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [2,0,0,0,0,0|2,0,0]=4 1324 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [2,0,0,0,0,0|2,0,0]=4 1325 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,0]=2 1326 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1327 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1328 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|2,0,0]=4 1329 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1330 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1331 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|2,0,0]=4 1332 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,0]=2 1333 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|0,0,2]=4 1334 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,1]=3 1335 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [2,0,0,0,0,0|1,0,1]=4 1336 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [2,0,0,0,0,0|1,0,1]=4 1337 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [2,0,0,0,0,0|1,0,1]=4 1338 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 1339 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|0,0,0]=2 1340 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|0,0,0]=2 1341 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|1,0,0]=3 1342 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|1,0,0]=3 1343 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|1,0,0]=3 1344 B9R1.8 CCOc1ccnnc1 34a_100015204005_100000210202 [2,0,0,0,0,0|2,0,0]=4 1345 B9R1.8 CCOc1cncnc1 7a_100000754086_100000210202 [2,0,0,0,0,0|2,0,0]=4 1346 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|0,1,0]=3 1347 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|0,1,0]=3 1348 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|1,1,0]=4 1349 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|1,1,0]=4 1350 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|1,1,0]=4 1351 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|1,1,0]=4 1352 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|1,1,0]=4 1353 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|1,1,0]=4 1354 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,1]=4 1355 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 1356 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,1]=4 1357 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,1]=4 1358 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,1]=4 1359 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,1]=4 1360 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,1]=4 1361 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|0,0,1]=3 1362 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|0,0,1]=3 1363 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|0,0,1]=3 1364 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|1,0,1]=4 1365 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|1,0,1]=4 1366 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|0,1,1]=4 1367 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|0,1,1]=4 1368 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 1369 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|1,0,0]=3 1370 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|1,0,0]=3 1371 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 1372 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 1373 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [2,0,0,0,0,0|2,0,0]=4 1374 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|1,1,0]=4 1375 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|1,1,0]=4 1376 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 1377 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,1]=4 1378 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|0,0,1]=3 1379 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|0,0,1]=3 1380 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|0,1,1]=4 1381 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|0,1,1]=4 1382 B11R0.4 C=CCNC/C=C/C(=O)OCC 2230a_100020586998_100016267167 [0,1,1,0,0,0|0,0,2]=4 1383 B11R0.4 C=CCOC/C=C/C(=O)OCC 34a_200000210373_100016267167 [0,1,1,0,0,0|0,0,2]=4 1384 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100000210623_100016267167 [0,1,1,0,0,0|0,0,2]=4 1385 B11R0.4 C=CCSC/C=C/C(=O)OCC 62a_100016267167_100000210623 [0,1,1,0,0,0|0,0,2]=4 1386 B11R0.5 C=CC=CC(=O)CC(=O)CCC 1458a_100016291481_100000747444 [0,1,1,0,0,0|1,0,1]=4 1387 B11R0.5 C=CC=CC(=O)CC(=O)NCC 1458a_100016291481_100000183381 [0,1,1,0,0,0|1,0,1]=4 1388 B11R0.5 C=CC=CC(=O)CC(=O)OCC 1458a_100016291481_100000188475 [0,1,1,0,0,0|0,0,1]=3 1389 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [0,1,1,0,0,0|0,0,1]=3 1390 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,1,0,0,0,0|1,0,1]=4 1391 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 1392 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [1,1,0,0,0,0|2,0,0]=4 1393 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [1,1,0,0,0,0|2,0,0]=4 1394 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,1,0,0,0,0|1,0,1]=4 1395 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,1,0,0,0,0|1,0,1]=4 1396 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,1,0,0,0,0|1,0,1]=4 1397 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,1,0,0,0,0|1,0,1]=4 1398 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,1,0,0,0,0|1,0,1]=4 1399 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,1,0,0,0,0|1,0,1]=4 1400 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,1,0,0,0,0|1,0,1]=4 1401 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,1,0,0,0,0|1,0,1]=4 1402 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,1,0,0,0,0|1,0,1]=4 1403 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,1,0,0,0,0|1,0,1]=4 1404 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,1,0,0,0,0|1,0,1]=4 1405 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,1,0,0,0,0|1,0,1]=4 1406 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,1,0,0,0,0|0,0,2]=4 1407 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,1,0,0,0,0|0,0,2]=4 1408 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,1,0,0,0,0|0,0,2]=4 1409 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,1,0,0,0,0|0,0,2]=4 1410 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [1,1,0,0,0,0|2,0,0]=4 1411 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [1,1,0,0,0,0|2,0,0]=4 1412 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [1,1,0,0,0,0|2,0,0]=4 1413 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [1,1,0,0,0,0|2,0,0]=4 1414 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [1,1,0,0,0,0|2,0,0]=4 1415 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,1,0,0,0,0|1,0,1]=4 1416 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,1,0,0,0,0|1,0,1]=4 1417 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,1,0,0,0,0|1,0,1]=4 1418 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 1419 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 1420 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,1,0,0,0,0|1,0,1]=4 1421 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,1,0,0,0,0|1,0,1]=4 1422 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,1,0,0,0,0|1,0,1]=4 1423 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 1424 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 1425 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [1,1,0,0,0,0|1,0,1]=4 1426 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [1,1,0,0,0,0|1,0,1]=4 1427 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [1,1,0,0,0,0|1,0,1]=4 1428 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [1,1,0,0,0,0|1,0,1]=4 1429 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 1430 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|0,0,0]=2 1431 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|0,0,0]=2 1432 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|0,0,0]=2 1433 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|0,0,0]=2 1434 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|0,0,0]=2 1435 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|0,0,0]=2 1436 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|0,0,0]=2 1437 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,1,0,0,0,0|1,0,0]=3 1438 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [1,1,0,0,0,0|1,0,1]=4 1440 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|0,0,2]=4 1441 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 1442 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1443 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [1,1,0,0,0,0|2,0,0]=4 1444 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1445 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [1,1,0,0,0,0|2,0,0]=4 1446 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 1448 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1449 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 1454 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [1,1,0,0,0,0|2,0,0]=4 1459 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1460 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1469 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [1,1,0,0,0,0|2,0,0]=4 1470 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [1,1,0,0,0,0|2,0,0]=4 1473 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1474 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1475 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1476 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1477 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1478 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1479 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 1480 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 1481 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [1,1,0,0,0,0|2,0,0]=4 1482 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1483 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1484 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [1,1,0,0,0,0|2,0,0]=4 1485 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1486 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1487 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [1,1,0,0,0,0|2,0,0]=4 1488 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [1,1,0,0,0,0|1,0,1]=4 1489 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|1,0,0]=3 1490 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 1491 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 1492 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|1,0,0]=3 1493 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,0]=3 1494 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1495 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1496 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 1497 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|1,0,0]=3 1498 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 1499 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 1500 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|1,0,0]=3 1501 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|1,0,0]=3 1502 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 1503 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 1504 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|1,0,0]=3 1505 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|1,0,0]=3 1506 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 1507 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 1508 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|1,0,0]=3 1509 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 1510 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,0]=3 1511 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 1512 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,1,0,0,0,0|2,0,0]=4 1513 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,1,0,0,0,0|2,0,0]=4 1514 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|0,0,0]=2 1515 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|1,0,0]=3 1516 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|1,0,0]=3 1517 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [1,1,0,0,0,0|2,0,0]=4 1518 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [1,1,0,0,0,0|2,0,0]=4 1519 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [1,1,0,0,0,0|2,0,0]=4 1520 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [1,1,0,0,0,0|2,0,0]=4 1521 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [1,1,0,0,0,0|1,0,1]=4 1522 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [1,1,0,0,0,0|1,0,1]=4 1523 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [1,1,0,0,0,0|1,0,1]=4 1524 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|1,0,1]=4 1525 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [1,1,0,0,0,0|1,0,1]=4 1526 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [1,1,0,0,0,0|1,0,1]=4 1527 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [1,1,0,0,0,0|1,0,1]=4 1528 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 1529 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|1,0,1]=4 1530 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1531 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [1,1,0,0,0,0|1,0,1]=4 1532 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 1533 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 1534 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [1,1,0,0,0,0|1,0,1]=4 1535 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [1,1,0,0,0,0|1,0,1]=4 1536 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|1,0,0]=3 1537 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 1538 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 1539 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|1,0,1]=4 1540 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,0]=3 1541 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|1,0,0]=3 1543 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|1,0,0]=3 1544 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|1,0,0]=3 1545 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|1,0,0]=3 1546 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,0]=3 1547 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|1,0,0]=3 1548 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|1,0,1]=4 1549 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1550 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [1,1,0,0,0,0|1,0,1]=4 1551 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1552 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [1,1,0,0,0,0|1,0,1]=4 1553 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [1,1,0,0,0,0|1,0,1]=4 1554 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [1,1,0,0,0,0|1,0,1]=4 1555 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [1,1,0,0,0,0|1,0,1]=4 1556 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [1,1,0,0,0,0|1,0,1]=4 1557 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1558 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1559 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,1,0,0,0,0|1,0,1]=4 1560 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,1,0,0,0,0|1,0,1]=4 1561 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [1,1,0,0,0,0|1,0,0]=3 1562 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|0,0,0]=2 1563 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|0,0,0]=2 1564 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|0,0,0]=2 1565 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|0,0,0]=2 1566 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|0,0,0]=2 1567 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|0,0,0]=2 1568 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|0,0,0]=2 1569 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [1,1,0,0,0,0|1,0,0]=3 1570 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|0,0,2]=4 1571 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 1572 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1573 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [1,1,0,0,0,0|2,0,0]=4 1574 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1575 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [1,1,0,0,0,0|2,0,0]=4 1576 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [1,1,0,0,0,0|2,0,0]=4 1589 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [1,1,0,0,0,0|2,0,0]=4 1590 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1591 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [1,1,0,0,0,0|2,0,0]=4 1592 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [1,1,0,0,0,0|2,0,0]=4 1593 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1594 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 1595 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1596 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,1,0,0,0,0|1,0,1]=4 1610 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,1,0,0,0,0|2,0,0]=4 1611 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|1,0,0]=3 1612 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1613 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1614 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|1,0,0]=3 1615 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|1,0,0]=3 1616 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1617 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1618 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|1,0,0]=3 1619 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|1,0,0]=3 1620 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1621 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1622 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|1,0,0]=3 1623 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|1,0,0]=3 1624 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1625 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1626 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|1,0,0]=3 1627 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|1,0,0]=3 1628 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1629 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1630 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|1,0,0]=3 1631 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 1632 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|1,0,0]=3 1633 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 1634 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [1,1,0,0,0,0|1,0,0]=3 1638 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|0,0,0]=2 1640 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [1,1,0,0,0,0|1,0,0]=3 1641 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [1,1,0,0,0,0|1,0,0]=3 1642 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [1,1,0,0,0,0|2,0,0]=4 1643 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [1,1,0,0,0,0|1,0,0]=3 1644 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [1,1,0,0,0,0|2,0,0]=4 1645 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [1,1,0,0,0,0|2,0,0]=4 1646 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [1,1,0,0,0,0|1,0,1]=4 1647 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [1,1,0,0,0,0|1,0,1]=4 1648 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,1,0,0,0,0|1,0,1]=4 1649 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,1,0,0,0,0|1,0,1]=4 1650 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [1,1,0,0,0,0|1,0,1]=4 1651 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [1,1,0,0,0,0|1,0,1]=4 1652 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1653 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1654 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,1,0,0,0,0|1,0,1]=4 1655 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,1,0,0,0,0|1,0,1]=4 1656 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [1,1,0,0,0,0|1,0,1]=4 1657 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [1,1,0,0,0,0|1,0,1]=4 1658 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [1,1,0,0,0,0|1,0,1]=4 1659 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [1,1,0,0,0,0|1,0,1]=4 1660 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|1,0,0]=3 1661 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,1,0,0,0,0|1,0,1]=4 1662 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,1,0,0,0,0|1,0,1]=4 1663 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|1,0,1]=4 1664 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|1,0,0]=3 1665 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|2,0,0]=4 1666 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|1,0,0]=3 1667 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|1,0,0]=3 1668 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|1,0,0]=3 1669 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|1,0,0]=3 1670 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|1,0,0]=3 1671 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|1,0,1]=4 1672 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,0|1,0,1]=4 1673 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,0|1,0,1]=4 1674 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|1,0,1]=4 1675 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|0,0,0]=2 1676 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1677 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1678 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1680 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 1681 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1682 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1684 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1685 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1688 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1689 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1690 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,1,0,0,0,0|1,0,0]=3 1691 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1692 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|1,0,1]=4 1693 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|1,0,1]=4 1694 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|1,0,1]=4 1695 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|1,0,1]=4 1696 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|1,0,1]=4 1697 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|1,0,1]=4 1698 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,1,0,0,0,0|0,0,0]=2 1699 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,1,0,0,0,0|0,0,0]=2 1700 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,1,0,0,0,0|0,0,0]=2 1701 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,1,0,0,0,0|0,0,0]=2 1702 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,1,0,0,0,0|0,0,0]=2 1703 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|0,0,0]=2 1704 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,1,0,0,0,0|0,0,0]=2 1705 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [1,1,0,0,0,0|2,0,0]=4 1708 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1709 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [1,1,0,0,0,0|2,0,0]=4 1710 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [1,1,0,0,0,0|2,0,0]=4 1711 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1712 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1713 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1714 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,1,0,0,0,0|2,0,0]=4 1715 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1722 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1723 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1724 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1725 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [1,1,0,0,0,0|2,0,0]=4 1727 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1730 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1736 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,1,0,0,0,0|1,0,0]=3 1740 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 1741 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 1742 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,1,0,0,0,0|1,0,0]=3 1743 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,1,0,0,0,0|1,0,0]=3 1744 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 1745 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 1746 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,1,0,0,0,0|1,0,0]=3 1747 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,1,0,0,0,0|1,0,0]=3 1748 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 1749 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 1750 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,1,0,0,0,0|1,0,0]=3 1751 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,1,0,0,0,0|1,0,0]=3 1752 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 1753 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 1754 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,1,0,0,0,0|1,0,0]=3 1755 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,1,0,0,0,0|1,0,0]=3 1756 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 1757 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 1758 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,1,0,0,0,0|1,0,0]=3 1759 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|1,0,0]=3 1760 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|1,0,0]=3 1761 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,1,0,0,0,0|1,0,0]=3 1762 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,1,0,0,0,0|1,0,0]=3 1763 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,1,0,0,0,0|1,0,0]=3 1764 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,1,0,0,0,0|2,0,0]=4 1765 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|0,0,0]=2 1766 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,1,0,0,0,0|1,0,0]=3 1767 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,1,0,0,0,0|1,0,0]=3 1768 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,1,0,0,0,0|1,0,0]=3 1769 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [1,1,0,0,0,0|2,0,0]=4 1770 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,1,0,0,0,0|1,0,0]=3 1771 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [1,1,0,0,0,0|2,0,0]=4 1772 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [1,1,0,0,0,0|2,0,0]=4 1773 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1774 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|1,0,1]=4 1775 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|1,0,1]=4 1776 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|1,0,1]=4 1777 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|1,0,1]=4 1778 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|1,0,1]=4 1779 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|1,0,1]=4 1780 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|1,0,1]=4 1781 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|1,0,1]=4 1782 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|1,0,1]=4 1783 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,1,0,0,0,0|1,0,0]=3 1784 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|1,0,1]=4 1785 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|1,0,1]=4 1786 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,1,0,0,0,0|1,0,0]=3 1788 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,1,0,0,0,0|1,0,0]=3 1789 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,1,0,0,0,0|1,0,0]=3 1790 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,1,0,0,0,0|1,0,0]=3 1791 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|1,0,0]=3 1792 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,1,0,0,0,0|1,0,0]=3 1793 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,1]=4 1794 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,1]=4 1795 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,1]=4 1796 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,1]=4 1797 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,1]=4 1798 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,1]=4 1799 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,1]=4 1800 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 1801 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 1810 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 1811 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|2,0,0]=4 1829 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|1,0,1]=4 1832 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|1,0,1]=4 1833 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|1,0,1]=4 1834 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|1,0,1]=4 1835 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|1,0,1]=4 1836 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|1,0,1]=4 1837 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|1,0,1]=4 1838 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|1,0,1]=4 1839 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|1,0,1]=4 1840 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|1,0,1]=4 1841 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|1,0,1]=4 1842 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|1,0,1]=4 1843 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|1,0,1]=4 1844 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|1,0,1]=4 1845 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|1,0,1]=4 1846 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|1,0,1]=4 1847 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|1,0,1]=4 1848 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|1,0,1]=4 1849 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|1,0,1]=4 1850 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|1,0,1]=4 1851 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|1,0,1]=4 1852 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|1,0,1]=4 1853 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|1,0,1]=4 1854 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|1,0,1]=4 1855 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|1,0,1]=4 1856 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,1]=4 1857 B11R1.1 CCOCc1cc[n+](cc1)C 34a_100009831711_100000210202 [1,1,0,0,0,0|1,0,1]=4 1858 B11R1.1 CCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210202 [1,1,0,0,0,0|1,0,1]=4 1859 B11R1.1 CCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210202 [1,1,0,0,0,0|1,0,1]=4 1860 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [1,1,0,0,0,0|1,0,1]=4 1861 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|0,0,1]=3 1862 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|0,0,1]=3 1863 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|0,0,1]=3 1864 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|0,0,1]=3 1865 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|0,0,1]=3 1866 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|0,0,1]=3 1867 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|0,0,1]=3 1868 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|0,0,1]=3 1869 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|0,0,1]=3 1870 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|0,0,1]=3 1871 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|0,0,1]=3 1872 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|0,0,1]=3 1873 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|0,0,1]=3 1874 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|0,0,1]=3 1875 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|0,0,1]=3 1876 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|0,0,1]=3 1877 B11R1.1 CCOCc1ccc(cn1)Br 34a_100000754261_100000210202 [1,1,0,0,0,0|1,0,1]=4 1878 B11R1.1 CCOCc1ccc(cn1)Br 34a_100121572206_100000702658 [1,1,0,0,0,0|1,0,1]=4 1879 B11R1.1 CCOCc1ccc(cn1)C 34a_100012001401_100000210202 [1,1,0,0,0,0|1,0,1]=4 1880 B11R1.1 CCOCc1ccc(cn1)C 34a_100121572206_100000691093 [1,1,0,0,0,0|1,0,1]=4 1881 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100000703999_100000210202 [1,1,0,0,0,0|1,0,1]=4 1882 B11R1.1 CCOCc1ccc(cn1)Cl 34a_100121572206_100012066911 [1,1,0,0,0,0|1,0,1]=4 1883 B11R1.1 CCOCc1ccc(cn1)F 34a_100011999454_100000210202 [1,1,0,0,0,0|1,0,1]=4 1884 B11R1.1 CCOCc1ccc(cn1)F 34a_100121572206_100000703193 [1,1,0,0,0,0|1,0,1]=4 1885 B11R1.1 CCOCc1ccc(cn1)N 34a_100011998161_100000210202 [1,1,0,0,0,0|1,0,1]=4 1886 B11R1.1 CCOCc1ccc(nc1)Br 34a_100009816760_100000210202 [1,1,0,0,0,0|1,0,1]=4 1887 B11R1.1 CCOCc1ccc(nc1)Br 34a_100121572206_100009831999 [1,1,0,0,0,0|1,0,1]=4 1888 B11R1.1 CCOCc1ccc(nc1)Br 7a_100009816760_100000210202 [1,1,0,0,0,0|1,0,1]=4 1889 B11R1.1 CCOCc1ccc(nc1)C 34a_100011248133_100000210202 [1,1,0,0,0,0|1,0,1]=4 1890 B11R1.1 CCOCc1ccc(nc1)C 34a_100121572206_100016987292 [1,1,0,0,0,0|1,0,1]=4 1891 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100000755211_100000210202 [1,1,0,0,0,0|1,0,1]=4 1892 B11R1.1 CCOCc1ccc(nc1)Cl 34a_100121572206_100000735431 [1,1,0,0,0,0|1,0,1]=4 1893 B11R1.1 CCOCc1ccc(nc1)Cl 7a_100000755211_100000210202 [1,1,0,0,0,0|1,0,1]=4 1894 B11R1.1 CCOCc1ccc(nc1)F 34a_100000079959_100000210202 [1,1,0,0,0,0|1,0,1]=4 1895 B11R1.1 CCOCc1ccc(nc1)F 34a_100121572206_100000099788 [1,1,0,0,0,0|1,0,1]=4 1896 B11R1.1 CCOCc1ccc(nc1)N 34a_100000704267_100000210202 [1,1,0,0,0,0|1,0,1]=4 1897 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [1,1,0,0,0,0|1,0,1]=4 1898 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|0,1,1]=4 1899 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|0,1,1]=4 1900 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|0,1,1]=4 1901 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|0,1,1]=4 1902 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|0,1,1]=4 1903 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|0,1,1]=4 1904 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|0,1,1]=4 1905 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|0,1,1]=4 1906 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|0,1,1]=4 1907 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|0,1,1]=4 1908 B11R1.1 COC=Cc1ccc(cc1)O 271570a_203496583355_100020630460 [1,1,0,0,0,0|2,0,0]=4 1909 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|1,0,1]=4 1910 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|1,0,1]=4 1911 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [1,1,0,0,0,0|1,0,1]=4 1912 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [1,1,0,0,0,0|1,0,1]=4 1913 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [1,1,0,0,0,0|1,0,1]=4 1914 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [1,1,0,0,0,0|1,0,1]=4 1915 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [1,1,0,0,0,0|1,0,1]=4 1916 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [1,1,0,0,0,0|1,0,1]=4 1917 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [1,1,0,0,0,0|1,0,1]=4 1918 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [1,1,0,0,0,0|1,0,1]=4 1919 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|1,0,1]=4 1920 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,1]=4 1921 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|1,0,1]=4 1922 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|1,0,1]=4 1923 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|1,0,1]=4 1924 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,1]=4 1925 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 1928 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 1929 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 1933 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 1934 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 1935 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 1939 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|2,0,0]=4 1945 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|2,0,0]=4 1947 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|1,0,1]=4 1957 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|1,0,1]=4 1958 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|1,0,1]=4 1959 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|1,0,1]=4 1960 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|1,0,1]=4 1961 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|1,0,1]=4 1962 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|1,0,1]=4 1963 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|1,0,1]=4 1964 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|1,0,1]=4 1965 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|1,0,1]=4 1966 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|1,0,1]=4 1967 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|1,0,1]=4 1968 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|1,0,1]=4 1969 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|1,0,1]=4 1970 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|1,0,1]=4 1971 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|1,0,1]=4 1972 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|1,0,1]=4 1973 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|1,0,1]=4 1974 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|1,0,1]=4 1975 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|1,0,1]=4 1976 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|1,0,1]=4 1977 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|1,0,1]=4 1978 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|0,0,1]=3 1979 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|0,0,1]=3 1980 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|0,0,1]=3 1981 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|0,0,1]=3 1982 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|0,0,1]=3 1983 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|0,0,1]=3 1984 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|0,0,1]=3 1985 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|0,0,1]=3 1986 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|0,0,1]=3 1987 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|0,0,1]=3 1988 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|0,0,1]=3 1989 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|0,0,1]=3 1990 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|0,0,1]=3 1991 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|0,0,1]=3 1992 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|0,0,1]=3 1993 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|0,0,1]=3 1994 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|0,0,1]=3 1995 B11R1.17 CCOCc1cccnc1Br 34a_100000719692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1996 B11R1.17 CCOCc1cccnc1Br 34a_100121572206_100010140945 [1,1,0,0,0,0|1,0,1]=4 1997 B11R1.17 CCOCc1cccnc1Br 7a_100000719692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1998 B11R1.17 CCOCc1cccnc1C 34a_100000729262_100000210202 [1,1,0,0,0,0|1,0,1]=4 1999 B11R1.17 CCOCc1cccnc1C 34a_100121572206_100000732876 [1,1,0,0,0,0|1,0,1]=4 2000 B11R1.17 CCOCc1cccnc1C 7a_100000729262_100000210202 [1,1,0,0,0,0|1,0,1]=4 2001 B11R1.17 CCOCc1cccnc1Cl 34a_100000748726_100000210202 [1,1,0,0,0,0|1,0,1]=4 2002 B11R1.17 CCOCc1cccnc1Cl 34a_100121572206_100000045678 [1,1,0,0,0,0|1,0,1]=4 2003 B11R1.17 CCOCc1cccnc1Cl 7a_100000748726_100000210202 [1,1,0,0,0,0|1,0,1]=4 2004 B11R1.17 CCOCc1cccnc1F 34a_100000079888_100000210202 [1,1,0,0,0,0|1,0,1]=4 2005 B11R1.17 CCOCc1cccnc1F 34a_100121572206_100000099810 [1,1,0,0,0,0|1,0,1]=4 2006 B11R1.17 CCOCc1cccnc1F 7a_100000079888_100000210202 [1,1,0,0,0,0|1,0,1]=4 2007 B11R1.17 CCOCc1ccncc1C 34a_100011997032_100000210202 [1,1,0,0,0,0|1,0,1]=4 2008 B11R1.17 CCOCc1ccncc1C 34a_100121572206_100020672809 [1,1,0,0,0,0|1,0,1]=4 2009 B11R1.17 CCOCc1ccncc1F 34a_100012172863_100000210202 [1,1,0,0,0,0|1,0,1]=4 2010 B11R1.17 CCOCc1cnccc1C 34a_100011996381_100000210202 [1,1,0,0,0,0|1,0,1]=4 2011 B11R1.17 CCOCc1cnccc1C 34a_100121572206_100000690890 [1,1,0,0,0,0|1,0,1]=4 2012 B11R1.17 CCOCc1cnccc1Cl 34a_100000117392_100000210202 [1,1,0,0,0,0|1,0,1]=4 2013 B11R1.17 CCOCc1ncccc1Br 34a_100011996772_100000210202 [1,1,0,0,0,0|1,0,1]=4 2014 B11R1.17 CCOCc1ncccc1Br 34a_100121572206_100025702911 [1,1,0,0,0,0|1,0,1]=4 2015 B11R1.17 CCOCc1ncccc1C 34a_100000698912_100000210202 [1,1,0,0,0,0|1,0,1]=4 2016 B11R1.17 CCOCc1ncccc1C 34a_100121572206_100000696600 [1,1,0,0,0,0|1,0,1]=4 2017 B11R1.17 CCOCc1ncccc1Cl 34a_100012002383_100000210202 [1,1,0,0,0,0|1,0,1]=4 2018 B11R1.17 CCOCc1ncccc1F 34a_100011934865_100000210202 [1,1,0,0,0,0|1,0,1]=4 2019 B11R1.17 CCOCc1ncccc1F 34a_100121572206_100000104219 [1,1,0,0,0,0|1,0,1]=4 2020 B11R1.17 CCOCc1ncccc1N 34a_114873767017_100000210202 [1,1,0,0,0,0|1,0,1]=4 2021 B11R1.17 CCOCc1ncccc1O 34a_100121572206_200020655725 [1,1,0,0,0,0|1,0,1]=4 2022 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|0,1,1]=4 2023 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|0,1,1]=4 2024 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|0,1,1]=4 2025 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|0,1,1]=4 2026 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|0,1,1]=4 2027 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|0,1,1]=4 2028 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|0,1,1]=4 2029 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|0,1,1]=4 2030 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|0,1,1]=4 2031 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|0,1,1]=4 2032 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|0,1,1]=4 2033 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [1,1,0,0,0,0|1,0,1]=4 2034 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [1,1,0,0,0,0|1,0,1]=4 2035 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [1,1,0,0,0,0|1,0,1]=4 2036 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [1,1,0,0,0,0|1,0,1]=4 2037 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [1,1,0,0,0,0|1,0,1]=4 2038 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [1,1,0,0,0,0|1,0,1]=4 2039 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [1,1,0,0,0,0|1,0,1]=4 2040 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [1,1,0,0,0,0|1,0,1]=4 2041 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [1,1,0,0,0,0|1,0,1]=4 2042 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [1,1,0,0,0,0|1,0,1]=4 2043 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [1,1,0,0,0,0|1,0,1]=4 2044 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,1]=4 2045 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,1]=4 2046 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,1]=4 2047 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,1]=4 2048 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,1]=4 2049 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,1]=4 2050 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,1]=4 2051 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,1]=4 2052 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|1,0,1]=4 2086 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|1,0,1]=4 2087 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|1,0,1]=4 2088 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|1,0,1]=4 2089 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|1,0,1]=4 2090 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|1,0,1]=4 2091 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|1,0,1]=4 2092 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|1,0,1]=4 2093 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|1,0,1]=4 2094 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|1,0,1]=4 2095 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|1,0,1]=4 2096 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|1,0,1]=4 2097 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|1,0,1]=4 2098 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|1,0,1]=4 2099 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|1,0,1]=4 2100 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|1,0,1]=4 2101 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|1,0,1]=4 2102 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|1,0,1]=4 2103 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|1,0,1]=4 2104 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|1,0,1]=4 2105 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|1,0,1]=4 2106 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|1,0,1]=4 2107 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|1,0,1]=4 2108 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|1,0,1]=4 2109 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|1,0,1]=4 2110 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|1,0,1]=4 2111 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|1,0,1]=4 2112 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|1,0,1]=4 2113 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|1,0,1]=4 2114 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|1,0,1]=4 2115 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|1,0,1]=4 2116 B11R1.24 CCOCc1cc(ccn1)Br 34a_100121572206_100010173614 [1,1,0,0,0,0|1,0,1]=4 2117 B11R1.24 CCOCc1cc(ccn1)C 34a_100011998357_100000210202 [1,1,0,0,0,0|1,0,1]=4 2118 B11R1.24 CCOCc1cc(ccn1)C 34a_100121572206_100000718516 [1,1,0,0,0,0|1,0,1]=4 2119 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100000748867_100000210202 [1,1,0,0,0,0|1,0,1]=4 2120 B11R1.24 CCOCc1cc(ccn1)Cl 34a_100121572206_100016988179 [1,1,0,0,0,0|1,0,1]=4 2121 B11R1.24 CCOCc1cc(ccn1)N 34a_100000692640_100000210202 [1,1,0,0,0,0|1,0,1]=4 2122 B11R1.24 CCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210202 [1,1,0,0,0,0|1,0,1]=4 2123 B11R1.24 CCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210202 [1,1,0,0,0,0|1,0,1]=4 2124 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|0,0,1]=3 2125 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|0,0,1]=3 2126 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|0,0,1]=3 2127 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|0,0,1]=3 2128 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|0,0,1]=3 2129 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|0,0,1]=3 2130 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|0,0,1]=3 2131 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|0,0,1]=3 2132 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|0,0,1]=3 2133 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|0,0,1]=3 2134 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|0,0,1]=3 2135 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|0,0,1]=3 2136 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2137 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|0,0,1]=3 2138 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|0,0,1]=3 2139 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|0,0,1]=3 2140 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|0,0,1]=3 2141 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|0,0,1]=3 2142 B11R1.24 CCOCc1cccc(n1)Br 34a_100000694195_100000210202 [1,1,0,0,0,0|1,0,1]=4 2143 B11R1.24 CCOCc1cccc(n1)Br 34a_100121572206_100009889011 [1,1,0,0,0,0|1,0,1]=4 2144 B11R1.24 CCOCc1cccc(n1)C 34a_100000690600_100000210202 [1,1,0,0,0,0|1,0,1]=4 2145 B11R1.24 CCOCc1cccc(n1)C 34a_100121572206_100000757606 [1,1,0,0,0,0|1,0,1]=4 2146 B11R1.24 CCOCc1cccc(n1)Cl 34a_100011998359_100000210202 [1,1,0,0,0,0|1,0,1]=4 2147 B11R1.24 CCOCc1cccc(n1)Cl 34a_100121572206_100000086093 [1,1,0,0,0,0|1,0,1]=4 2148 B11R1.24 CCOCc1cccc(n1)F 34a_100000086748_100000210202 [1,1,0,0,0,0|1,0,1]=4 2149 B11R1.24 CCOCc1cccc(n1)F 34a_100121572206_100009819644 [1,1,0,0,0,0|1,0,1]=4 2150 B11R1.24 CCOCc1ccnc(c1)Br 34a_100009814636_100000210202 [1,1,0,0,0,0|1,0,1]=4 2151 B11R1.24 CCOCc1ccnc(c1)Br 34a_100121572206_100010243470 [1,1,0,0,0,0|1,0,1]=4 2152 B11R1.24 CCOCc1ccnc(c1)Br 7a_100009814636_100000210202 [1,1,0,0,0,0|1,0,1]=4 2153 B11R1.24 CCOCc1ccnc(c1)C 34a_100011998630_100000210202 [1,1,0,0,0,0|1,0,1]=4 2154 B11R1.24 CCOCc1ccnc(c1)C 34a_100121572206_200020672517 [1,1,0,0,0,0|1,0,1]=4 2155 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100000748751_100000210202 [1,1,0,0,0,0|1,0,1]=4 2156 B11R1.24 CCOCc1ccnc(c1)Cl 34a_100121572206_100000764220 [1,1,0,0,0,0|1,0,1]=4 2157 B11R1.24 CCOCc1ccnc(c1)F 34a_100000082451_100000210202 [1,1,0,0,0,0|1,0,1]=4 2158 B11R1.24 CCOCc1cncc(c1)Br 34a_100011259137_100000210202 [1,1,0,0,0,0|1,0,1]=4 2159 B11R1.24 CCOCc1cncc(c1)Br 34a_100121572206_100000738771 [1,1,0,0,0,0|1,0,1]=4 2160 B11R1.24 CCOCc1cncc(c1)Br 7a_100011259137_100000210202 [1,1,0,0,0,0|1,0,1]=4 2161 B11R1.24 CCOCc1cncc(c1)C 34a_100011998709_100000210202 [1,1,0,0,0,0|1,0,1]=4 2162 B11R1.24 CCOCc1cncc(c1)C 34a_100121572206_100000716715 [1,1,0,0,0,0|1,0,1]=4 2163 B11R1.24 CCOCc1cncc(c1)C 7a_100011998709_100000210202 [1,1,0,0,0,0|1,0,1]=4 2164 B11R1.24 CCOCc1cncc(c1)Cl 34a_100000092867_100000210202 [1,1,0,0,0,0|1,0,1]=4 2165 B11R1.24 CCOCc1cncc(c1)Cl 34a_100121572206_100016992070 [1,1,0,0,0,0|1,0,1]=4 2166 B11R1.24 CCOCc1cncc(c1)Cl 7a_100000092867_100000210202 [1,1,0,0,0,0|1,0,1]=4 2167 B11R1.24 CCOCc1cncc(c1)F 34a_100011962875_100000210202 [1,1,0,0,0,0|1,0,1]=4 2168 B11R1.24 CCOCc1cncc(c1)F 34a_100121572206_100000725299 [1,1,0,0,0,0|1,0,1]=4 2169 B11R1.24 CCOCc1cncc(c1)F 7a_100011962875_100000210202 [1,1,0,0,0,0|1,0,1]=4 2170 B11R1.24 CCOCc1cncc(c1)N 34a_100000085308_100000210202 [1,1,0,0,0,0|1,0,1]=4 2171 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|0,1,1]=4 2172 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|0,1,1]=4 2173 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|0,1,1]=4 2174 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|0,1,1]=4 2175 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|0,1,1]=4 2176 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|0,1,1]=4 2177 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|0,1,1]=4 2178 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|0,1,1]=4 2179 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|0,1,1]=4 2180 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|0,1,1]=4 2181 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|0,1,1]=4 2182 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|0,1,1]=4 2183 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [1,1,0,0,0,0|1,0,1]=4 2184 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [1,1,0,0,0,0|1,0,1]=4 2185 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [1,1,0,0,0,0|1,0,1]=4 2186 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [1,1,0,0,0,0|1,0,1]=4 2187 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [1,1,0,0,0,0|1,0,1]=4 2188 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [1,1,0,0,0,0|1,0,1]=4 2189 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [1,1,0,0,0,0|1,0,1]=4 2190 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [1,1,0,0,0,0|1,0,1]=4 2191 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2192 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2193 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [1,1,0,0,0,0|1,0,1]=4 2194 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|0,0,1]=3 2195 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,1,0,0,0,0|1,0,1]=4 2196 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,1,0,0,0,0|1,0,1]=4 2197 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|0,0,2]=4 2198 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|0,0,2]=4 2199 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|0,0,2]=4 2200 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|0,0,2]=4 2201 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|0,0,2]=4 2202 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|0,0,2]=4 2203 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,0]=3 2205 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,1,0,0,0,0|2,0,0]=4 2206 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,1,0,0,0,0|2,0,0]=4 2207 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|1,0,1]=4 2209 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,1]=4 2210 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,1]=4 2211 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,0,1]=4 2212 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,0,1]=4 2213 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|1,0,1]=4 2214 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|1,0,1]=4 2215 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|1,0,1]=4 2216 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|1,0,1]=4 2217 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|0,0,1]=3 2218 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|0,0,1]=3 2219 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|0,0,1]=3 2220 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|1,0,1]=4 2221 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|1,0,1]=4 2222 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|0,1,1]=4 2223 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|0,1,1]=4 2224 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|1,0,1]=4 2225 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|1,0,1]=4 2226 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|1,0,1]=4 2227 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|1,0,1]=4 2228 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,1,0,0,0,0|1,0,0]=3 2229 B11R1.28 CCNN=Cc1ccccn1 4a_100000756455_100000209966 [1,1,0,0,0,0|2,0,0]=4 2230 B11R1.28 CCNN=Cc1cccnc1 4a_100000756455_100000209961 [1,1,0,0,0,0|2,0,0]=4 2231 B11R1.28 CCNN=Cc1ccncc1 4a_100000756455_100000186114 [1,1,0,0,0,0|2,0,0]=4 2232 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,1,0,0,0,0|0,0,0]=2 2233 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [1,1,0,0,0,0|1,0,0]=3 2234 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [1,1,0,0,0,0|1,0,0]=3 2235 B11R1.28 CCOC=Cc1cccnn1 271570a_100016256518_100016991348 [1,1,0,0,0,0|2,0,0]=4 2236 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [1,1,0,0,0,0|1,0,0]=3 2237 B11R1.28 CCOC=Cc1ccncn1 271570a_100016256518_100000703185 [1,1,0,0,0,0|2,0,0]=4 2238 B11R1.28 CCOC=Cc1ccnnc1 271570a_100016256518_100000732662 [1,1,0,0,0,0|2,0,0]=4 2239 B11R1.28 CCOC=Cc1cnccn1 271570a_100016256518_100000758340 [1,1,0,0,0,0|2,0,0]=4 2240 B11R1.28 CCOC=Cc1cncnc1 271570a_100016256518_100011206942 [1,1,0,0,0,0|2,0,0]=4 2241 B11R1.28 CCOC=Cc1ncccn1 271570a_100016256518_100000211032 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|0,0,1]=3 2243 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|0,0,1]=3 2244 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|0,0,1]=3 2245 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|1,0,1]=4 2246 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|1,0,1]=4 2247 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|1,0,1]=4 2248 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|0,0,1]=3 2249 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|0,0,1]=3 2250 B11R1.28 CCOCSc1ccccn1 62a_100000739092_100011216584 [1,1,0,0,0,0|1,0,1]=4 2251 B11R1.28 CCOCSc1ccccn1 62a_100011216584_100000739092 [1,1,0,0,0,0|1,0,1]=4 2252 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [1,1,0,0,0,0|1,0,1]=4 2253 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [1,1,0,0,0,0|1,0,1]=4 2254 B11R1.28 CCOCSc1ccncc1 62a_100000728582_100000739092 [1,1,0,0,0,0|1,0,1]=4 2255 B11R1.28 CCOCSc1ccncc1 62a_100000739092_100000728582 [1,1,0,0,0,0|1,0,1]=4 2256 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|0,1,1]=4 2257 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|0,1,1]=4 2258 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|0,1,1]=4 2259 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|0,1,1]=4 2260 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|1,0,0]=3 2261 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|1,0,0]=3 2262 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|1,0,0]=3 2263 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|1,0,0]=3 2264 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|1,0,0]=3 2265 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,1,0,0,0,0|1,0,1]=4 2266 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,1,0,0,0,0|1,0,1]=4 2267 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,1,0,0,0,0|1,0,1]=4 2268 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,1,0,0,0,0|1,0,1]=4 2269 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|1,0,0]=3 2270 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|1,0,1]=4 2271 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|1,0,1]=4 2272 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|1,0,1]=4 2273 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|1,0,1]=4 2274 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|1,0,1]=4 2275 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|2,0,0]=4 2282 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|2,0,0]=4 2284 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|2,0,0]=4 2285 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|0,0,1]=3 2286 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|0,0,1]=3 2287 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|0,1,1]=4 2288 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|0,1,1]=4 2289 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|1,0,0]=3 2290 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|1,0,0]=3 2291 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [1,1,0,0,0,0|2,0,0]=4 2292 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 2293 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|1,0,1]=4 2294 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 2295 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|1,0,0]=3 2296 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [1,1,0,0,0,0|2,0,0]=4 2297 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [1,1,0,0,0,0|2,0,0]=4 2298 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [1,1,0,0,0,0|2,0,0]=4 2299 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|1,0,1]=4 2300 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|1,0,1]=4 2301 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|1,0,1]=4 2302 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|2,0,0]=4 2303 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|2,0,0]=4 2304 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|2,0,0]=4 2305 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|2,0,0]=4 2306 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|2,0,0]=4 2307 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|2,0,0]=4 2308 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|2,0,0]=4 2309 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|2,0,0]=4 2310 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|2,0,0]=4 2311 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|2,0,0]=4 2312 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|2,0,0]=4 2313 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|1,0,1]=4 2314 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|0,0,1]=3 2315 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|0,1,1]=4 2316 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|0,1,1]=4 2317 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|0,1,1]=4 2318 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|1,0,0]=3 2319 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|1,0,0]=3 2320 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,1,0,0,0,0|1,0,1]=4 2321 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|1,0,1]=4 2322 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|1,0,1]=4 2323 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|2,0,0]=4 2324 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|2,0,0]=4 2325 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|2,0,0]=4 2326 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|2,0,0]=4 2329 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|1,0,1]=4 2333 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|1,0,1]=4 2334 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|0,0,1]=3 2335 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|0,0,1]=3 2336 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|0,0,1]=3 2337 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|0,1,1]=4 2338 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|0,1,1]=4 2339 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|0,1,1]=4 2340 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|0,1,1]=4 2341 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|2,0,0]=4 2345 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|1,0,1]=4 2347 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|1,0,1]=4 2348 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|1,0,1]=4 2349 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|0,0,1]=3 2350 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|0,0,1]=3 2351 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|0,1,1]=4 2352 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|0,1,1]=4 2353 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|1,0,1]=4 2354 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|1,0,1]=4 2355 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|0,0,2]=4 2356 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|0,0,1]=3 2357 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,1,0,0,0,0|1,0,1]=4 2358 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,1,0,0,0,0|1,0,1]=4 2359 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,2]=4 2360 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,2]=4 2361 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|1,0,1]=4 2367 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|1,0,1]=4 2368 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|1,0,1]=4 2369 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|1,0,1]=4 2370 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|1,0,1]=4 2371 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|1,0,1]=4 2372 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|0,0,1]=3 2373 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|0,0,1]=3 2374 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|0,1,1]=4 2375 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|0,1,1]=4 2376 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|1,0,0]=3 2377 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|1,0,0]=3 2378 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,1,0,0,0,0|1,0,1]=4 2379 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|1,0,1]=4 2380 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|1,0,1]=4 2381 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|1,0,0]=3 2385 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [1,1,0,0,0,0|2,0,0]=4 2386 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 2387 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 2388 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|1,0,1]=4 2389 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|1,0,1]=4 2390 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|2,0,0]=4 2393 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|2,0,0]=4 2394 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|1,0,0]=3 2395 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|1,0,0]=3 2396 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,1,0,0,0,0|1,0,1]=4 2397 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|1,0,1]=4 2398 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|1,0,1]=4 2399 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|2,0,0]=4 2400 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|2,0,0]=4 2401 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|2,0,0]=4 2403 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|0,0,1]=3 2404 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|0,0,1]=3 2405 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|0,1,1]=4 2406 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|0,1,1]=4 2407 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [1,1,0,0,0,0|1,0,1]=4 2408 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 2409 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 2410 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,1,0,0,0,0|2,0,0]=4 2413 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|2,0,0]=4 2414 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|2,0,0]=4 2415 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,1,0,0,0,0|2,0,0]=4 2416 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,1,0,0,0,0|2,0,0]=4 2417 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [1,1,0,0,0,0|1,0,1]=4 2418 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [1,1,0,0,0,0|1,0,1]=4 2419 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [1,1,0,0,0,0|1,0,1]=4 2420 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [1,1,0,0,0,0|1,0,1]=4 2421 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [1,1,0,0,0,0|1,0,1]=4 2422 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [1,1,0,0,0,0|1,0,1]=4 2423 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [1,1,0,0,0,0|1,0,1]=4 2424 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [1,1,0,0,0,0|1,0,1]=4 2425 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,1,0,0,0,0|1,0,0]=3 2427 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [1,1,0,0,0,0|2,0,0]=4 2428 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 2431 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|2,0,0]=4 2432 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|2,0,0]=4 2433 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|2,0,0]=4 2434 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|2,0,0]=4 2435 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|1,0,1]=4 2436 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|1,0,1]=4 2437 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|1,0,1]=4 2438 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|1,0,1]=4 2439 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|1,0,1]=4 2440 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|0,0,1]=3 2441 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|0,0,1]=3 2442 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|0,0,1]=3 2443 B11R1.91 CC(C)OCc1ccccn1 34a_100000212225_100000721315 [1,1,0,0,0,0|1,0,1]=4 2444 B11R1.91 CC(C)OCc1cccnc1 34a_100000212225_100000733263 [1,1,0,0,0,0|1,0,1]=4 2445 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|0,1,1]=4 2446 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|0,1,1]=4 2447 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,1,0,0,0,0|1,0,0]=3 2448 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [1,1,0,0,0,0|2,0,0]=4 2450 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [1,1,0,0,0,0|2,0,0]=4 2451 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 2453 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 2454 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|2,0,0]=4 2455 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|2,0,0]=4 2460 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|2,0,0]=4 2461 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,1,0,0,0,0|1,0,1]=4 2462 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,1,0,0,1,0|2,0,0]=4 2463 B11R1.15 CCOC(=O)c1c[nH]c(n1)O 271570a_203496583355_100010231773 [0,1,0,0,1,0|2,0,0]=4 2464 B11R1.15 CCOC(=O)c1cc([nH]n1)O 271570a_203496583355_100010743333 [0,1,0,0,1,0|2,0,0]=4 2465 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [0,1,0,0,1,0|1,0,0]=3 2466 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,1,0,0,1,0|1,0,0]=3 2467 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,1,0,0,1,0|1,0,0]=3 2468 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,1,0,0,1,0|1,0,0]=3 2469 B11R1.15 CCOC(=O)c1cnc(o1)O 271570a_203496583355_100010205802 [0,1,0,0,1,0|2,0,0]=4 2470 B11R1.15 CCOC(=O)c1cnc(s1)O 271570a_203496583355_100009814955 [0,1,0,0,1,0|2,0,0]=4 2471 B11R1.15 CCOC(=O)c1coc(n1)O 271570a_203496583355_100011935043 [0,1,0,0,1,0|2,0,0]=4 2472 B11R1.15 CCOC(=O)c1csc(c1)O 271570a_203496583355_100011228516 [0,1,0,0,1,0|1,0,0]=3 2473 B11R1.15 CCOC(=O)c1csc(n1)O 271570a_203496583355_100009814092 [0,1,0,0,1,0|2,0,0]=4 2474 B11R1.15 CCOC(=O)c1nc(cs1)O 271570a_203496583355_200012359684 [0,1,0,0,1,0|2,0,0]=4 2475 B11R1.15 CCOC(=O)c1ncc([nH]1)O 271570a_203496583355_100010172669 [0,1,0,0,1,0|2,0,0]=4 2476 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,1,0,0,1,0|2,0,0]=4 2477 B11R1.29 CCNCC(=O)c1cccs1 2230a_100015525214_100000211436 [0,1,0,0,1,0|2,0,0]=4 2478 B11R1.29 CCNCC(=O)c1ccsc1 2230a_100015525214_100011219462 [0,1,0,0,1,0|2,0,0]=4 2479 B11R1.29 CCOCC(=O)c1ccsc1 34a_100121572206_100011219462 [0,1,0,0,1,0|1,0,0]=3 2480 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_100000210202_200011262396 [0,1,0,0,1,0|1,1,0]=4 2481 B11R1.29 CCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210202 [0,1,0,0,1,0|1,1,0]=4 2482 B11R1.29 CCSCC(=O)c1ccco1 62a_100000210202_100000211439 [0,1,0,0,1,0|1,1,0]=4 2483 B11R1.29 CCSCC(=O)c1ccco1 62a_100000211439_100000210202 [0,1,0,0,1,0|1,1,0]=4 2484 B11R1.29 CCSCC(=O)c1cccs1 62a_100000210202_100000211436 [0,1,0,0,1,0|1,1,0]=4 2485 B11R1.29 CCSCC(=O)c1cccs1 62a_100000211436_100000210202 [0,1,0,0,1,0|1,1,0]=4 2486 B11R1.29 CCSCC(=O)c1ccsc1 62a_100000210202_100011219462 [0,1,0,0,1,0|1,1,0]=4 2487 B11R1.29 CCSCC(=O)c1ccsc1 62a_100011219462_100000210202 [0,1,0,0,1,0|1,1,0]=4 2488 B11R1.29 CNCCC(=O)c1cccs1 2230a_106832991635_100011290775 [0,1,0,0,1,0|2,0,0]=4 2489 B11R1.29 CNCCC(=O)c1cccs1 7a_106832991635_100011290775 [0,1,0,0,1,0|2,0,0]=4 2490 B11R1.29 CSCCC(=O)c1cccs1 62a_100011290775_200000210301 [0,1,0,0,1,0|2,0,0]=4 2491 B11R1.29 CSCCC(=O)c1cccs1 62a_200000210301_100011290775 [0,1,0,0,1,0|2,0,0]=4 2492 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_100011290775_200025704644 [0,1,0,0,1,0|2,0,0]=4 2493 B11R1.29 [13CH3]SCCC(=O)c1cccs1 62a_200025704644_100011290775 [0,1,0,0,1,0|2,0,0]=4 2494 B11R1.199 CCOC(=O)c1[nH]ncc1O 271570a_203496583355_100102524952 [0,1,0,0,1,0|2,0,0]=4 2495 B11R1.199 CCOC(=O)c1c[nH]nc1O 271570a_203496583355_100010255357 [0,1,0,0,1,0|2,0,0]=4 2496 B11R1.199 CCOC(=O)c1ccsc1O 271570a_203496583355_100010219215 [0,1,0,0,1,0|1,0,0]=3 2497 B11R1.199 CCOC(=O)c1cscc1O 271570a_203496583355_100012353568 [0,1,0,0,1,0|1,0,0]=3 2498 B11R1.199 CCOC(=O)c1ncsc1O 271570a_203496583355_100010232029 [0,1,0,0,1,0|2,0,0]=4 2499 B11R1.199 CCOC(=O)c1ocnc1O 271570a_203496583355_100010260153 [0,1,0,0,1,0|2,0,0]=4 2500 B11R1.199 CCOC(=O)c1scnc1O 271570a_203496583355_100012038550 [0,1,0,0,1,0|2,0,0]=4 2501 B13R1.19 CC#CC(=O)Cc1ccc(cc1)Br 1458a_100000763181_100000189115 [0,1,0,0,0,1|1,0,1]=4 2502 B13R1.19 CC#CC(=O)Cc1ccc(cc1)C 1458a_100000763181_100000210814 [0,1,0,0,0,1|1,0,1]=4 2503 B13R1.19 CC#CC(=O)Cc1ccc(cc1)Cl 1458a_100000763181_100000694040 [0,1,0,0,0,1|1,0,1]=4 2504 B13R1.19 CC#CC(=O)Cc1ccc(cc1)F 1458a_100000763181_100000198546 [0,1,0,0,0,1|1,0,1]=4 2505 B13R1.19 CC#CC(=O)Cc1ccc(cc1)I 1458a_100000763181_100000189116 [0,1,0,0,0,1|1,0,1]=4 2506 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000763181 [0,1,0,0,0,1|1,0,1]=4 2507 B13R1.19 CC#CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000763181 [0,1,0,0,0,1|1,0,1]=4 2508 B13R1.19 CC#CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000763181 [0,1,0,0,0,1|1,0,1]=4 2509 B13R1.19 CC#CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000763181 [0,1,0,0,0,1|1,0,1]=4 2510 B13R1.19 CC#CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000763181 [0,1,0,0,0,1|1,0,1]=4 2511 B13R1.19 CC#CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000763181 [0,1,0,0,0,1|1,0,1]=4 2512 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Br 1458a_100000210699_100000189115 [0,1,0,0,0,1|1,0,1]=4 2513 B13R1.19 CC=CC(=O)Cc1ccc(cc1)C 1458a_100000210699_100000210814 [0,1,0,0,0,1|1,0,1]=4 2514 B13R1.19 CC=CC(=O)Cc1ccc(cc1)Cl 1458a_100000210699_100000694040 [0,1,0,0,0,1|1,0,1]=4 2515 B13R1.19 CC=CC(=O)Cc1ccc(cc1)F 1458a_100000210699_100000198546 [0,1,0,0,0,1|1,0,1]=4 2516 B13R1.19 CC=CC(=O)Cc1ccc(cc1)I 1458a_100000210699_100000189116 [0,1,0,0,0,1|1,0,1]=4 2517 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210699 [0,1,0,0,0,1|1,0,1]=4 2518 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210699 [0,1,0,0,0,1|1,0,1]=4 2519 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210699 [0,1,0,0,0,1|1,0,1]=4 2520 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210699 [0,1,0,0,0,1|1,0,1]=4 2521 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210699 [0,1,0,0,0,1|1,0,1]=4 2522 B13R1.19 CC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210699 [0,1,0,0,0,1|1,0,1]=4 2523 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210699 [0,1,0,0,0,1|1,0,1]=4 2524 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210699 [0,1,0,0,0,1|1,0,1]=4 2525 B13R1.19 CC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210699 [0,1,0,0,0,1|1,0,1]=4 2526 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210699 [0,1,0,0,0,1|1,0,1]=4 2527 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210699 [0,1,0,0,0,1|1,0,1]=4 2528 B13R1.19 CC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210699 [0,1,0,0,0,1|1,0,1]=4 2529 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210699 [0,1,0,0,0,1|1,0,1]=4 2530 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210699 [0,1,0,0,0,1|1,0,1]=4 2531 B13R1.19 CC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210699 [0,1,0,0,0,1|1,0,1]=4 2532 B13R1.19 CC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210699 [0,1,0,0,0,1|1,0,1]=4 2533 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210303 [0,1,0,0,0,1|1,0,0]=3 2534 B13R1.19 CCCC(=O)Cc1ccc(cc1)Br 1458a_100000211992_100000189115 [0,1,0,0,0,1|1,0,0]=3 2535 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000211992_100000210814 [0,1,0,0,0,1|1,0,0]=3 2536 B13R1.19 CCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210303 [0,1,0,0,0,1|1,0,0]=3 2537 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210303 [0,1,0,0,0,1|1,0,0]=3 2538 B13R1.19 CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211992_100000694040 [0,1,0,0,0,1|1,0,0]=3 2539 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210303 [0,1,0,0,0,1|1,0,0]=3 2540 B13R1.19 CCCC(=O)Cc1ccc(cc1)F 1458a_100000211992_100000198546 [0,1,0,0,0,1|1,0,0]=3 2541 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000211992_100000189116 [0,1,0,0,0,1|1,0,0]=3 2542 B13R1.19 CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210303 [0,1,0,0,0,1|1,0,0]=3 2543 B13R1.19 CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210303 [0,1,0,0,0,1|1,0,0]=3 2544 B13R1.19 CCCC(=O)Cc1ccc(cn1)Br 1458a_100000211992_100000702658 [0,1,0,0,0,1|2,0,0]=4 2545 B13R1.19 CCCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210303 [0,1,0,0,0,1|2,0,0]=4 2546 B13R1.19 CCCC(=O)Cc1ccc(cn1)C 1458a_100000211992_100000691093 [0,1,0,0,0,1|2,0,0]=4 2547 B13R1.19 CCCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210303 [0,1,0,0,0,1|2,0,0]=4 2548 B13R1.19 CCCC(=O)Cc1ccc(cn1)Cl 1458a_100000211992_100012066911 [0,1,0,0,0,1|2,0,0]=4 2549 B13R1.19 CCCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210303 [0,1,0,0,0,1|2,0,0]=4 2550 B13R1.19 CCCC(=O)Cc1ccc(cn1)F 1458a_100000211992_100000703193 [0,1,0,0,0,1|2,0,0]=4 2551 B13R1.19 CCCC(=O)Cc1ccc(nc1)Br 1458a_100000211992_100009831999 [0,1,0,0,0,1|2,0,0]=4 2552 B13R1.19 CCCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210303 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.19 CCCC(=O)Cc1ccc(nc1)C 1458a_100000211992_100016987292 [0,1,0,0,0,1|2,0,0]=4 2554 B13R1.19 CCCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210303 [0,1,0,0,0,1|2,0,0]=4 2555 B13R1.19 CCCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210303 [0,1,0,0,0,1|2,0,0]=4 2556 B13R1.19 CCCC(=O)Cc1ccc(nc1)Cl 1458a_100000211992_100000735431 [0,1,0,0,0,1|2,0,0]=4 2557 B13R1.19 CCCC(=O)Cc1ccc(nc1)F 1458a_100000211992_100009820150 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.19 CCCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210303 [0,1,0,0,0,1|2,0,0]=4 2559 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000211992 [0,1,0,0,0,1|1,0,0]=3 2560 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000211992 [0,1,0,0,0,1|1,0,0]=3 2561 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000211992 [0,1,0,0,0,1|1,0,0]=3 2562 B13R1.19 CCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000211992 [0,1,0,0,0,1|1,0,0]=3 2563 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000211992 [0,1,0,0,0,1|1,0,0]=3 2564 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000211992 [0,1,0,0,0,1|1,0,0]=3 2565 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000211992 [0,1,0,0,0,1|1,0,0]=3 2566 B13R1.19 CCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000211992 [0,1,0,0,0,1|1,0,0]=3 2567 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000211992 [0,1,0,0,0,1|1,0,0]=3 2568 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000211992 [0,1,0,0,0,1|1,0,0]=3 2569 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000211992 [0,1,0,0,0,1|1,0,0]=3 2570 B13R1.19 CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000211992 [0,1,0,0,0,1|1,0,0]=3 2571 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000211992 [0,1,0,0,0,1|1,0,0]=3 2572 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000211992 [0,1,0,0,0,1|1,0,0]=3 2573 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000211992 [0,1,0,0,0,1|1,0,0]=3 2574 B13R1.19 CCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000211992 [0,1,0,0,0,1|1,0,0]=3 2575 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000211992 [0,1,0,0,0,1|1,0,0]=3 2576 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000211992 [0,1,0,0,0,1|1,0,0]=3 2577 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000211992 [0,1,0,0,0,1|1,0,0]=3 2578 B13R1.19 CCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000211992 [0,1,0,0,0,1|1,0,0]=3 2579 B13R1.19 CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211992 [0,1,0,0,0,1|1,0,0]=3 2580 B13R1.19 CCCC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193317 [0,1,0,0,0,1|2,0,0]=4 2581 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 11a_100015525214_100000198978 [0,1,0,0,0,1|1,0,0]=3 2582 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 240690a_100015525214_100000198978 [0,1,0,0,0,1|1,0,0]=3 2583 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 527a_100015525214_100000198978 [0,1,0,0,0,1|1,0,0]=3 2584 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 11a_100015525214_100000212244 [0,1,0,0,0,1|1,0,0]=3 2585 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 240690a_100015525214_100000212244 [0,1,0,0,0,1|1,0,0]=3 2586 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 527a_100015525214_100000212244 [0,1,0,0,0,1|1,0,0]=3 2587 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 11a_100015525214_100000211027 [0,1,0,0,0,1|1,0,0]=3 2588 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 240690a_100015525214_100000211027 [0,1,0,0,0,1|1,0,0]=3 2589 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 527a_100015525214_100000211027 [0,1,0,0,0,1|1,0,0]=3 2590 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 11a_100015525214_100000210951 [0,1,0,0,0,1|1,0,0]=3 2591 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 240690a_100015525214_100000210951 [0,1,0,0,0,1|1,0,0]=3 2592 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 527a_100015525214_100000210951 [0,1,0,0,0,1|1,0,0]=3 2593 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 11a_100015525214_100000688869 [0,1,0,0,0,1|1,0,0]=3 2594 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 240690a_100015525214_100000688869 [0,1,0,0,0,1|1,0,0]=3 2595 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 527a_100015525214_100000688869 [0,1,0,0,0,1|1,0,0]=3 2596 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 240690a_100015525214_100000198540 [0,1,0,0,0,1|1,0,0]=3 2597 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 527a_100015525214_100000198540 [0,1,0,0,0,1|1,0,0]=3 2598 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br 11a_100015525214_100020629044 [0,1,0,0,0,1|2,0,0]=4 2599 B13R1.19 CCNC(=O)Cc1ccc(cn1)Br 240690a_100015525214_100020629044 [0,1,0,0,0,1|2,0,0]=4 2600 B13R1.19 CCNC(=O)Cc1ccc(cn1)C 11a_100015525214_100025705728 [0,1,0,0,0,1|2,0,0]=4 2601 B13R1.19 CCNC(=O)Cc1ccc(cn1)C 240690a_100015525214_100025705728 [0,1,0,0,0,1|2,0,0]=4 2602 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 11a_100015525214_100000728320 [0,1,0,0,0,1|2,0,0]=4 2603 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 240690a_100015525214_100000728320 [0,1,0,0,0,1|2,0,0]=4 2604 B13R1.19 CCNC(=O)Cc1ccc(cn1)Cl 527a_100015525214_100000728320 [0,1,0,0,0,1|2,0,0]=4 2605 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br 11a_100015525214_100010067268 [0,1,0,0,0,1|2,0,0]=4 2606 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br 240690a_100015525214_100010067268 [0,1,0,0,0,1|2,0,0]=4 2607 B13R1.19 CCNC(=O)Cc1ccc(nc1)Br 527a_100015525214_100010067268 [0,1,0,0,0,1|2,0,0]=4 2608 B13R1.19 CCNC(=O)Cc1ccc(nc1)C 11a_100015525214_100000740413 [0,1,0,0,0,1|2,0,0]=4 2609 B13R1.19 CCNC(=O)Cc1ccc(nc1)C 240690a_100015525214_100000740413 [0,1,0,0,0,1|2,0,0]=4 2610 B13R1.19 CCNC(=O)Cc1ccc(nc1)C 527a_100015525214_100000740413 [0,1,0,0,0,1|2,0,0]=4 2611 B13R1.19 CCNC(=O)Cc1ccc(nc1)Cl 11a_100015525214_100000061944 [0,1,0,0,0,1|2,0,0]=4 2612 B13R1.19 CCNC(=O)Cc1ccc(nc1)Cl 240690a_100015525214_100000061944 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.19 CCNC(=O)Cc1ccc(nc1)Cl 527a_100015525214_100000061944 [0,1,0,0,0,1|2,0,0]=4 2614 B13R1.19 CCNC(=O)Cn1ccc(=O)cc1 11a_100015525214_200000238563 [0,1,0,0,0,1|2,0,0]=4 2615 B13R1.19 CCNC(=O)Cn1ccc(=O)cc1 240690a_100015525214_200000238563 [0,1,0,0,0,1|2,0,0]=4 2616 B13R1.19 CCNC(=O)Cn1ccc(=O)cc1 527a_100015525214_200000238563 [0,1,0,0,0,1|2,0,0]=4 2617 B13R1.19 CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100015525214 [0,1,0,0,0,1|1,0,0]=3 2618 B13R1.19 CCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100015525214 [0,1,0,0,0,1|1,0,0]=3 2619 B13R1.19 CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100015525214 [0,1,0,0,0,1|1,0,0]=3 2620 B13R1.19 CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100015525214 [0,1,0,0,0,1|1,0,0]=3 2621 B13R1.19 CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100015525214 [0,1,0,0,0,1|1,0,0]=3 2622 B13R1.19 CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100015525214 [0,1,0,0,0,1|1,0,0]=3 2623 B13R1.19 CCOC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000170549 [0,1,0,0,0,1|0,0,0]=2 2624 B13R1.19 CCOC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012359163 [0,1,0,0,0,1|1,0,0]=3 2625 B13R1.19 CCOC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071673 [0,1,0,0,0,1|1,0,0]=3 2626 B13R1.19 CCOC(=O)Cc1ncc(cn1)O 271570a_203496583355_100010214908 [0,1,0,0,0,1|2,0,0]=4 2627 B13R1.19 CCOC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000158341 [0,1,0,0,0,1|0,0,0]=2 2628 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,1,0,0,0,1|1,0,1]=4 2629 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,1,0,0,0,1|1,0,1]=4 2630 B13R1.19 CCOC(C)Oc1ccc(cc1)O 271570a_203496583355_100009812852 [0,1,0,0,0,1|1,0,1]=4 2631 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200000210301 [0,1,0,0,0,1|2,0,0]=4 2632 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 2230a_106832991635_100000183692 [0,1,0,0,0,1|2,0,0]=4 2633 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 34a_100102657272_100000183692 [0,1,0,0,0,1|2,0,0]=4 2634 B13R1.19 CNCC(=O)Nc1ccc(cc1)Br 7a_106832991635_100000183692 [0,1,0,0,0,1|2,0,0]=4 2635 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 2230a_106832991635_100000182914 [0,1,0,0,0,1|2,0,0]=4 2636 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 34a_100102657272_100000182914 [0,1,0,0,0,1|2,0,0]=4 2637 B13R1.19 CNCC(=O)Nc1ccc(cc1)C 7a_106832991635_100000182914 [0,1,0,0,0,1|2,0,0]=4 2638 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 2230a_106832991635_100000182960 [0,1,0,0,0,1|2,0,0]=4 2639 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 34a_100102657272_100000182960 [0,1,0,0,0,1|2,0,0]=4 2640 B13R1.19 CNCC(=O)Nc1ccc(cc1)Cl 7a_106832991635_100000182960 [0,1,0,0,0,1|2,0,0]=4 2641 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200000210301 [0,1,0,0,0,1|2,0,0]=4 2642 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 2230a_106832991635_100000181725 [0,1,0,0,0,1|2,0,0]=4 2643 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100025683178_200000210301 [0,1,0,0,0,1|2,0,0]=4 2644 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 34a_100102657272_100000181725 [0,1,0,0,0,1|2,0,0]=4 2645 B13R1.19 CNCC(=O)Nc1ccc(cc1)F 7a_106832991635_100000181725 [0,1,0,0,0,1|2,0,0]=4 2646 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 2230a_106832991635_100000183000 [0,1,0,0,0,1|2,0,0]=4 2647 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 34a_100102657272_100000183000 [0,1,0,0,0,1|2,0,0]=4 2648 B13R1.19 CNCC(=O)Nc1ccc(cc1)I 7a_106832991635_100000183000 [0,1,0,0,0,1|2,0,0]=4 2649 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 2230a_106832991635_100000233757 [0,1,0,0,0,1|2,0,0]=4 2650 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 34a_100102657272_100000233757 [0,1,0,0,0,1|2,0,0]=4 2651 B13R1.19 CNCC(=O)Nc1ccc(cc1)O 7a_106832991635_100000233757 [0,1,0,0,0,1|2,0,0]=4 2652 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 2230a_106832991635_200010760497 [0,1,0,0,0,1|2,0,0]=4 2653 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 34a_100102657272_200010760497 [0,1,0,0,0,1|2,0,0]=4 2654 B13R1.19 CNCC(=O)Oc1ccc(cc1)Br 7a_106832991635_200010760497 [0,1,0,0,0,1|2,0,0]=4 2655 B13R1.19 CNNC(=O)Cc1ccc(cc1)Br 22a_100016993582_100000198978 [0,1,0,0,0,1|2,0,0]=4 2656 B13R1.19 CNNC(=O)Cc1ccc(cc1)C 22a_100016993582_100000212244 [0,1,0,0,0,1|2,0,0]=4 2657 B13R1.19 CNNC(=O)Cc1ccc(cc1)Cl 22a_100016993582_100000211027 [0,1,0,0,0,1|2,0,0]=4 2658 B13R1.19 CNNC(=O)Cc1ccc(cc1)F 22a_100016993582_100000210951 [0,1,0,0,0,1|2,0,0]=4 2659 B13R1.19 CNNC(=O)Cc1ccc(cc1)I 22a_100016993582_100000688869 [0,1,0,0,0,1|2,0,0]=4 2660 B13R1.19 CNNC(=O)Cc1ccc(cc1)O 22a_100016993582_100000198540 [0,1,0,0,0,1|2,0,0]=4 2661 B13R1.19 COCC(=O)Cc1ccc(cc1)Br 1458a_100000210968_100000189115 [0,1,0,0,0,1|2,0,0]=4 2662 B13R1.19 COCC(=O)Cc1ccc(cc1)C 1458a_100000210968_100000210814 [0,1,0,0,0,1|2,0,0]=4 2663 B13R1.19 COCC(=O)Cc1ccc(cc1)Cl 1458a_100000210968_100000694040 [0,1,0,0,0,1|2,0,0]=4 2664 B13R1.19 COCC(=O)Cc1ccc(cc1)F 1458a_100000210968_100000198546 [0,1,0,0,0,1|2,0,0]=4 2665 B13R1.19 COCC(=O)Cc1ccc(cc1)I 1458a_100000210968_100000189116 [0,1,0,0,0,1|2,0,0]=4 2666 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210968 [0,1,0,0,0,1|2,0,0]=4 2667 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210968 [0,1,0,0,0,1|2,0,0]=4 2668 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210968 [0,1,0,0,0,1|2,0,0]=4 2669 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 34a_100138415774_100000183692 [0,1,0,0,0,1|2,0,0]=4 2670 B13R1.19 COCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210968 [0,1,0,0,0,1|2,0,0]=4 2671 B13R1.19 COCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210968 [0,1,0,0,0,1|2,0,0]=4 2672 B13R1.19 COCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210968 [0,1,0,0,0,1|2,0,0]=4 2673 B13R1.19 COCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210968 [0,1,0,0,0,1|2,0,0]=4 2674 B13R1.19 COCC(=O)Nc1ccc(cc1)C 34a_100138415774_100000182914 [0,1,0,0,0,1|2,0,0]=4 2675 B13R1.19 COCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210968 [0,1,0,0,0,1|2,0,0]=4 2676 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210968 [0,1,0,0,0,1|2,0,0]=4 2677 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210968 [0,1,0,0,0,1|2,0,0]=4 2678 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210968 [0,1,0,0,0,1|2,0,0]=4 2679 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 34a_100138415774_100000182960 [0,1,0,0,0,1|2,0,0]=4 2680 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210968 [0,1,0,0,0,1|2,0,0]=4 2681 B13R1.19 COCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210968 [0,1,0,0,0,1|2,0,0]=4 2682 B13R1.19 COCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210968 [0,1,0,0,0,1|2,0,0]=4 2683 B13R1.19 COCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210968 [0,1,0,0,0,1|2,0,0]=4 2684 B13R1.19 COCC(=O)Nc1ccc(cc1)F 34a_100138415774_100000181725 [0,1,0,0,0,1|2,0,0]=4 2685 B13R1.19 COCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210968 [0,1,0,0,0,1|2,0,0]=4 2686 B13R1.19 COCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210968 [0,1,0,0,0,1|2,0,0]=4 2687 B13R1.19 COCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210968 [0,1,0,0,0,1|2,0,0]=4 2688 B13R1.19 COCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210968 [0,1,0,0,0,1|2,0,0]=4 2689 B13R1.19 COCC(=O)Nc1ccc(cc1)I 34a_100138415774_100000183000 [0,1,0,0,0,1|2,0,0]=4 2690 B13R1.19 COCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210968 [0,1,0,0,0,1|2,0,0]=4 2691 B13R1.19 COCC(=O)Nc1ccc(cc1)N 34a_100011269904_200000210301 [0,1,0,0,0,1|2,0,0]=4 2692 B13R1.19 COCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210968 [0,1,0,0,0,1|2,0,0]=4 2693 B13R1.19 COCC(=O)Nc1ccc(cc1)O 34a_100138415774_100000233757 [0,1,0,0,0,1|2,0,0]=4 2694 B13R1.19 COCC(=O)Oc1ccc(cc1)Br 34a_100138415774_200010760497 [0,1,0,0,0,1|2,0,0]=4 2695 B13R1.19 CSCC(=O)Cc1ccc(cc1)Br 1458a_100000184570_100000189115 [0,1,0,0,0,1|2,0,0]=4 2696 B13R1.19 CSCC(=O)Cc1ccc(cc1)C 1458a_100000184570_100000210814 [0,1,0,0,0,1|2,0,0]=4 2697 B13R1.19 CSCC(=O)Cc1ccc(cc1)Cl 1458a_100000184570_100000694040 [0,1,0,0,0,1|2,0,0]=4 2698 B13R1.19 CSCC(=O)Cc1ccc(cc1)F 1458a_100000184570_100000198546 [0,1,0,0,0,1|2,0,0]=4 2699 B13R1.19 CSCC(=O)Cc1ccc(cc1)I 1458a_100000184570_100000189116 [0,1,0,0,0,1|2,0,0]=4 2700 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000184570 [0,1,0,0,0,1|2,0,0]=4 2701 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000184570 [0,1,0,0,0,1|2,0,0]=4 2702 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000184570 [0,1,0,0,0,1|2,0,0]=4 2703 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000184570 [0,1,0,0,0,1|2,0,0]=4 2704 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 62a_100000183692_200000210301 [0,1,0,0,0,1|2,0,0]=4 2705 B13R1.19 CSCC(=O)Nc1ccc(cc1)Br 62a_200000210301_100000183692 [0,1,0,0,0,1|2,0,0]=4 2706 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000184570 [0,1,0,0,0,1|2,0,0]=4 2707 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000184570 [0,1,0,0,0,1|2,0,0]=4 2708 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000184570 [0,1,0,0,0,1|2,0,0]=4 2709 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000184570 [0,1,0,0,0,1|2,0,0]=4 2710 B13R1.19 CSCC(=O)Nc1ccc(cc1)C 62a_200000210301_100000182914 [0,1,0,0,0,1|2,0,0]=4 2711 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000184570 [0,1,0,0,0,1|2,0,0]=4 2712 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000184570 [0,1,0,0,0,1|2,0,0]=4 2713 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000184570 [0,1,0,0,0,1|2,0,0]=4 2714 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000184570 [0,1,0,0,0,1|2,0,0]=4 2715 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 62a_200000210301_100000182960 [0,1,0,0,0,1|2,0,0]=4 2716 B13R1.19 CSCC(=O)Nc1ccc(cc1)Cl 62a_200011202288_200000210301 [0,1,0,0,0,1|2,0,0]=4 2717 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000184570 [0,1,0,0,0,1|2,0,0]=4 2718 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000184570 [0,1,0,0,0,1|2,0,0]=4 2719 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000184570 [0,1,0,0,0,1|2,0,0]=4 2720 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000184570 [0,1,0,0,0,1|2,0,0]=4 2721 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 62a_200000210301_100000181725 [0,1,0,0,0,1|2,0,0]=4 2722 B13R1.19 CSCC(=O)Nc1ccc(cc1)F 62a_200000243717_200000210301 [0,1,0,0,0,1|2,0,0]=4 2723 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000184570 [0,1,0,0,0,1|2,0,0]=4 2724 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000184570 [0,1,0,0,0,1|2,0,0]=4 2725 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000184570 [0,1,0,0,0,1|2,0,0]=4 2726 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000184570 [0,1,0,0,0,1|2,0,0]=4 2727 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 62a_100000183000_200000210301 [0,1,0,0,0,1|2,0,0]=4 2728 B13R1.19 CSCC(=O)Nc1ccc(cc1)I 62a_200000210301_100000183000 [0,1,0,0,0,1|2,0,0]=4 2729 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000184570 [0,1,0,0,0,1|2,0,0]=4 2730 B13R1.19 CSCC(=O)Nc1ccc(cc1)O 62a_200000210301_100000233757 [0,1,0,0,0,1|2,0,0]=4 2731 B13R1.19 CSCC(=O)Oc1ccc(cc1)Br 62a_200000210301_200010760497 [0,1,0,0,0,1|2,0,0]=4 2732 B13R1.19 CSCC(=O)Oc1ccc(cc1)Br 62a_200010760497_200000210301 [0,1,0,0,0,1|2,0,0]=4 2733 B13R1.19 Cc1ccc(cc1)CC(=O)CCF 1458a_100000212244_100011217306 [0,1,0,0,0,1|2,0,0]=4 2734 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100000212244_100000211926 [0,1,0,0,0,1|2,0,0]=4 2735 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000210814 [0,1,0,0,0,1|2,0,0]=4 2736 B13R1.19 Cc1ccc(cc1)NC(=O)CCO 22a_100000124888_100011216618 [0,1,0,0,0,1|2,0,0]=4 2737 B13R1.19 Cc1ccc(cc1)NC(=O)CS[13CH3] 62a_200025704644_100000182914 [0,1,0,0,0,1|2,0,0]=4 2738 B13R1.19 NCCC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000743120 [0,1,0,0,0,1|2,0,0]=4 2739 B13R1.19 O=C(CCF)Cc1ccc(cc1)Br 1458a_100000198978_100011217306 [0,1,0,0,0,1|2,0,0]=4 2740 B13R1.19 O=C(CCF)Cc1ccc(cc1)Cl 1458a_100000211027_100011217306 [0,1,0,0,0,1|2,0,0]=4 2741 B13R1.19 O=C(CCF)Cc1ccc(cc1)F 1458a_100000210951_100011217306 [0,1,0,0,0,1|2,0,0]=4 2742 B13R1.19 O=C(CCF)Cc1ccc(cc1)I 1458a_100000688869_100011217306 [0,1,0,0,0,1|2,0,0]=4 2743 B13R1.19 O=C(CCF)Cc1ccc(cc1)O 1458a_100000198540_100011217306 [0,1,0,0,0,1|2,0,0]=4 2744 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100000198978_100000211926 [0,1,0,0,0,1|2,0,0]=4 2745 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100011216618_100000189115 [0,1,0,0,0,1|2,0,0]=4 2746 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000211926 [0,1,0,0,0,1|2,0,0]=4 2747 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100011216618_100000694040 [0,1,0,0,0,1|2,0,0]=4 2748 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100000210951_100000211926 [0,1,0,0,0,1|2,0,0]=4 2749 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100011216618_100000198546 [0,1,0,0,0,1|2,0,0]=4 2750 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100000688869_100000211926 [0,1,0,0,0,1|2,0,0]=4 2751 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100011216618_100000189116 [0,1,0,0,0,1|2,0,0]=4 2752 B13R1.19 O=C(CCO)Cc1ccc(cc1)O 1458a_100000198540_100000211926 [0,1,0,0,0,1|2,0,0]=4 2753 B13R1.19 O=C(CCO)Nc1ccc(cc1)Br 22a_100000210018_100011216618 [0,1,0,0,0,1|2,0,0]=4 2754 B13R1.19 O=C(CCO)Nc1ccc(cc1)Cl 22a_100000210052_100011216618 [0,1,0,0,0,1|2,0,0]=4 2755 B13R1.19 O=C(CCO)Nc1ccc(cc1)F 22a_100000185862_100011216618 [0,1,0,0,0,1|2,0,0]=4 2756 B13R1.19 O=C(CCO)Nc1ccc(cc1)I 22a_100000185761_100011216618 [0,1,0,0,0,1|2,0,0]=4 2757 B13R1.19 O=C(CCO)Nc1ccc(cc1)O 22a_100000185829_100011216618 [0,1,0,0,0,1|2,0,0]=4 2758 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_200025704644 [0,1,0,0,0,1|2,0,0]=4 2759 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 2230a_100025683178_200025704644 [0,1,0,0,0,1|2,0,0]=4 2760 B13R1.19 [13CH3]NCC(=O)Nc1ccc(cc1)F 34a_100025683178_200025704644 [0,1,0,0,0,1|2,0,0]=4 2761 B13R1.19 [13CH3]OCC(=O)Nc1ccc(cc1)N 34a_100011269904_200025704644 [0,1,0,0,0,1|2,0,0]=4 2762 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Br 62a_100000183692_200025704644 [0,1,0,0,0,1|2,0,0]=4 2763 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Br 62a_200025704644_100000183692 [0,1,0,0,0,1|2,0,0]=4 2764 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Cl 62a_200011202288_200025704644 [0,1,0,0,0,1|2,0,0]=4 2765 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)Cl 62a_200025704644_100000182960 [0,1,0,0,0,1|2,0,0]=4 2766 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)F 62a_200000243717_200025704644 [0,1,0,0,0,1|2,0,0]=4 2767 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)F 62a_200025704644_100000181725 [0,1,0,0,0,1|2,0,0]=4 2768 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)I 62a_100000183000_200025704644 [0,1,0,0,0,1|2,0,0]=4 2769 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)I 62a_200025704644_100000183000 [0,1,0,0,0,1|2,0,0]=4 2770 B13R1.19 [13CH3]SCC(=O)Nc1ccc(cc1)O 62a_200025704644_100000233757 [0,1,0,0,0,1|2,0,0]=4 2771 B13R1.19 [13CH3]SCC(=O)Oc1ccc(cc1)Br 62a_200010760497_200025704644 [0,1,0,0,0,1|2,0,0]=4 2772 B13R1.19 [13CH3]SCC(=O)Oc1ccc(cc1)Br 62a_200025704644_200010760497 [0,1,0,0,0,1|2,0,0]=4 2773 B13R1.20 CC#CC(=O)Cc1cccc(c1)Br 1458a_100000763181_100000211773 [0,1,0,0,0,1|1,0,1]=4 2774 B13R1.20 CC#CC(=O)Cc1cccc(c1)C 1458a_100000763181_100000211840 [0,1,0,0,0,1|1,0,1]=4 2775 B13R1.20 CC#CC(=O)Cc1cccc(c1)Cl 1458a_100000763181_100000181238 [0,1,0,0,0,1|1,0,1]=4 2776 B13R1.20 CC#CC(=O)Cc1cccc(c1)F 1458a_100000763181_100000230114 [0,1,0,0,0,1|1,0,1]=4 2777 B13R1.20 CC#CC(=O)Cc1cccc(c1)I 1458a_100000763181_100011218688 [0,1,0,0,0,1|1,0,1]=4 2778 B13R1.20 CC#CC(=O)Cc1cccc(c1)O 1458a_100000763181_100011660834 [0,1,0,0,0,1|1,0,1]=4 2779 B13R1.20 CC#CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000763181 [0,1,0,0,0,1|1,0,1]=4 2780 B13R1.20 CC#CC(=O)Nc1cccc(c1)C 22a_100000188690_100000763181 [0,1,0,0,0,1|1,0,1]=4 2781 B13R1.20 CC#CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000763181 [0,1,0,0,0,1|1,0,1]=4 2782 B13R1.20 CC#CC(=O)Nc1cccc(c1)F 22a_100000210047_100000763181 [0,1,0,0,0,1|1,0,1]=4 2783 B13R1.20 CC#CC(=O)Nc1cccc(c1)I 22a_100000211102_100000763181 [0,1,0,0,0,1|1,0,1]=4 2784 B13R1.20 CC#CC(=O)Nc1cccc(c1)O 22a_100000210217_100000763181 [0,1,0,0,0,1|1,0,1]=4 2785 B13R1.20 CC=CC(=O)Cc1cccc(c1)Br 1458a_100000210699_100000211773 [0,1,0,0,0,1|1,0,1]=4 2786 B13R1.20 CC=CC(=O)Cc1cccc(c1)C 1458a_100000210699_100000211840 [0,1,0,0,0,1|1,0,1]=4 2787 B13R1.20 CC=CC(=O)Cc1cccc(c1)Cl 1458a_100000210699_100000181238 [0,1,0,0,0,1|1,0,1]=4 2788 B13R1.20 CC=CC(=O)Cc1cccc(c1)F 1458a_100000210699_100000230114 [0,1,0,0,0,1|1,0,1]=4 2789 B13R1.20 CC=CC(=O)Cc1cccc(c1)I 1458a_100000210699_100011218688 [0,1,0,0,0,1|1,0,1]=4 2790 B13R1.20 CC=CC(=O)Cc1cccc(c1)O 1458a_100000210699_100011660834 [0,1,0,0,0,1|1,0,1]=4 2791 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210699 [0,1,0,0,0,1|1,0,1]=4 2792 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210699 [0,1,0,0,0,1|1,0,1]=4 2793 B13R1.20 CC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210699 [0,1,0,0,0,1|1,0,1]=4 2794 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100000210699 [0,1,0,0,0,1|1,0,1]=4 2795 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210699 [0,1,0,0,0,1|1,0,1]=4 2796 B13R1.20 CC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000210699 [0,1,0,0,0,1|1,0,1]=4 2797 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210699 [0,1,0,0,0,1|1,0,1]=4 2798 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210699 [0,1,0,0,0,1|1,0,1]=4 2799 B13R1.20 CC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210699 [0,1,0,0,0,1|1,0,1]=4 2800 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100000210699 [0,1,0,0,0,1|1,0,1]=4 2801 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210699 [0,1,0,0,0,1|1,0,1]=4 2802 B13R1.20 CC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100000210699 [0,1,0,0,0,1|1,0,1]=4 2803 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100000210699 [0,1,0,0,0,1|1,0,1]=4 2804 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210699 [0,1,0,0,0,1|1,0,1]=4 2805 B13R1.20 CC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100000210699 [0,1,0,0,0,1|1,0,1]=4 2806 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210699 [0,1,0,0,0,1|1,0,1]=4 2807 B13R1.20 CC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100000210699 [0,1,0,0,0,1|1,0,1]=4 2808 B13R1.20 CCCC(=O)Cc1cc(ccn1)Br 1458a_100000211992_100010173614 [0,1,0,0,0,1|2,0,0]=4 2809 B13R1.20 CCCC(=O)Cc1cc(ccn1)C 1458a_100000211992_100000718516 [0,1,0,0,0,1|2,0,0]=4 2810 B13R1.20 CCCC(=O)Cc1cc(ccn1)Cl 1458a_100000211992_100016988179 [0,1,0,0,0,1|2,0,0]=4 2811 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000211992_100000211773 [0,1,0,0,0,1|1,0,0]=3 2812 B13R1.20 CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210303 [0,1,0,0,0,1|1,0,0]=3 2813 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100000211992_100000211840 [0,1,0,0,0,1|1,0,0]=3 2814 B13R1.20 CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210303 [0,1,0,0,0,1|1,0,0]=3 2815 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000211992_100000181238 [0,1,0,0,0,1|1,0,0]=3 2816 B13R1.20 CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210303 [0,1,0,0,0,1|1,0,0]=3 2817 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210303 [0,1,0,0,0,1|1,0,0]=3 2818 B13R1.20 CCCC(=O)Cc1cccc(c1)F 1458a_100000211992_100000230114 [0,1,0,0,0,1|1,0,0]=3 2819 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000211992_100011218688 [0,1,0,0,0,1|1,0,0]=3 2820 B13R1.20 CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210303 [0,1,0,0,0,1|1,0,0]=3 2821 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000211992_100011660834 [0,1,0,0,0,1|1,0,0]=3 2822 B13R1.20 CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210303 [0,1,0,0,0,1|1,0,0]=3 2823 B13R1.20 CCCC(=O)Cc1cccc(n1)Br 1458a_100000211992_100009889011 [0,1,0,0,0,1|2,0,0]=4 2824 B13R1.20 CCCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210303 [0,1,0,0,0,1|2,0,0]=4 2825 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100000211992_100000757606 [0,1,0,0,0,1|2,0,0]=4 2826 B13R1.20 CCCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210303 [0,1,0,0,0,1|2,0,0]=4 2827 B13R1.20 CCCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210303 [0,1,0,0,0,1|2,0,0]=4 2828 B13R1.20 CCCC(=O)Cc1cccc(n1)Cl 1458a_100000211992_100000086093 [0,1,0,0,0,1|2,0,0]=4 2829 B13R1.20 CCCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210303 [0,1,0,0,0,1|2,0,0]=4 2830 B13R1.20 CCCC(=O)Cc1cccc(n1)F 1458a_100000211992_100009819644 [0,1,0,0,0,1|2,0,0]=4 2831 B13R1.20 CCCC(=O)Cc1ccnc(c1)Br 1458a_100000211992_100010243470 [0,1,0,0,0,1|2,0,0]=4 2832 B13R1.20 CCCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210303 [0,1,0,0,0,1|2,0,0]=4 2833 B13R1.20 CCCC(=O)Cc1ccnc(c1)C 1458a_100000211992_200020672517 [0,1,0,0,0,1|2,0,0]=4 2834 B13R1.20 CCCC(=O)Cc1ccnc(c1)Cl 1458a_100000211992_100000764220 [0,1,0,0,0,1|2,0,0]=4 2835 B13R1.20 CCCC(=O)Cc1cncc(c1)Br 1458a_100000211992_100011740620 [0,1,0,0,0,1|2,0,0]=4 2836 B13R1.20 CCCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210303 [0,1,0,0,0,1|2,0,0]=4 2837 B13R1.20 CCCC(=O)Cc1cncc(c1)C 1458a_100000211992_100000716715 [0,1,0,0,0,1|2,0,0]=4 2838 B13R1.20 CCCC(=O)Cc1cncc(c1)Cl 1458a_100000211992_100016992070 [0,1,0,0,0,1|2,0,0]=4 2839 B13R1.20 CCCC(=O)Cc1cncc(c1)F 1458a_100000211992_100000725299 [0,1,0,0,0,1|2,0,0]=4 2840 B13R1.20 CCCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210303 [0,1,0,0,0,1|2,0,0]=4 2841 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000211992 [0,1,0,0,0,1|1,0,0]=3 2842 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000211992 [0,1,0,0,0,1|1,0,0]=3 2843 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000211992 [0,1,0,0,0,1|1,0,0]=3 2844 B13R1.20 CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000211992 [0,1,0,0,0,1|1,0,0]=3 2845 B13R1.20 CCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000211992 [0,1,0,0,0,1|1,0,0]=3 2846 B13R1.20 CCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000211992 [0,1,0,0,0,1|1,0,0]=3 2847 B13R1.20 CCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000211992 [0,1,0,0,0,1|1,0,0]=3 2848 B13R1.20 CCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000211992 [0,1,0,0,0,1|1,0,0]=3 2849 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000211992 [0,1,0,0,0,1|1,0,0]=3 2850 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000211992 [0,1,0,0,0,1|1,0,0]=3 2851 B13R1.20 CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000211992 [0,1,0,0,0,1|1,0,0]=3 2852 B13R1.20 CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000211992 [0,1,0,0,0,1|1,0,0]=3 2853 B13R1.20 CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000211992 [0,1,0,0,0,1|1,0,0]=3 2854 B13R1.20 CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000211992 [0,1,0,0,0,1|1,0,0]=3 2855 B13R1.20 CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000211992 [0,1,0,0,0,1|1,0,0]=3 2856 B13R1.20 CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000211992 [0,1,0,0,0,1|1,0,0]=3 2857 B13R1.20 CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000211992 [0,1,0,0,0,1|1,0,0]=3 2858 B13R1.20 CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000211992 [0,1,0,0,0,1|1,0,0]=3 2859 B13R1.20 CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000211992 [0,1,0,0,0,1|1,0,0]=3 2860 B13R1.20 CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211992 [0,1,0,0,0,1|1,0,0]=3 2861 B13R1.20 CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211992 [0,1,0,0,0,1|1,0,0]=3 2862 B13R1.20 CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211992 [0,1,0,0,0,1|1,0,0]=3 2863 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 11a_100015525214_100000747190 [0,1,0,0,0,1|1,0,0]=3 2864 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 240690a_100015525214_100000747190 [0,1,0,0,0,1|1,0,0]=3 2865 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 527a_100015525214_100000747190 [0,1,0,0,0,1|1,0,0]=3 2866 B13R1.20 CCNC(=O)Cc1cccc(c1)C 11a_100015525214_100011206899 [0,1,0,0,0,1|1,0,0]=3 2867 B13R1.20 CCNC(=O)Cc1cccc(c1)C 240690a_100015525214_100011206899 [0,1,0,0,0,1|1,0,0]=3 2868 B13R1.20 CCNC(=O)Cc1cccc(c1)C 527a_100015525214_100011206899 [0,1,0,0,0,1|1,0,0]=3 2869 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 11a_100015525214_100000749307 [0,1,0,0,0,1|1,0,0]=3 2870 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 240690a_100015525214_100000749307 [0,1,0,0,0,1|1,0,0]=3 2871 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 527a_100015525214_100000749307 [0,1,0,0,0,1|1,0,0]=3 2872 B13R1.20 CCNC(=O)Cc1cccc(c1)F 11a_100015525214_100000211661 [0,1,0,0,0,1|1,0,0]=3 2873 B13R1.20 CCNC(=O)Cc1cccc(c1)F 240690a_100015525214_100000211661 [0,1,0,0,0,1|1,0,0]=3 2874 B13R1.20 CCNC(=O)Cc1cccc(c1)F 527a_100015525214_100000211661 [0,1,0,0,0,1|1,0,0]=3 2875 B13R1.20 CCNC(=O)Cc1cccc(c1)I 11a_100015525214_100000238430 [0,1,0,0,0,1|1,0,0]=3 2876 B13R1.20 CCNC(=O)Cc1cccc(c1)I 240690a_100015525214_100000238430 [0,1,0,0,0,1|1,0,0]=3 2877 B13R1.20 CCNC(=O)Cc1cccc(c1)I 527a_100015525214_100000238430 [0,1,0,0,0,1|1,0,0]=3 2878 B13R1.20 CCNC(=O)Cc1cccc(c1)O 240690a_100015525214_100000745134 [0,1,0,0,0,1|1,0,0]=3 2879 B13R1.20 CCNC(=O)Cc1cccc(c1)O 527a_100015525214_100000745134 [0,1,0,0,0,1|1,0,0]=3 2880 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 11a_100015525214_100010201708 [0,1,0,0,0,1|2,0,0]=4 2881 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 240690a_100015525214_100010201708 [0,1,0,0,0,1|2,0,0]=4 2882 B13R1.20 CCNC(=O)Cc1cccc(n1)Br 527a_100015525214_100010201708 [0,1,0,0,0,1|2,0,0]=4 2883 B13R1.20 CCNC(=O)Cc1cccc(n1)C 11a_100015525214_100012001110 [0,1,0,0,0,1|2,0,0]=4 2884 B13R1.20 CCNC(=O)Cc1cccc(n1)C 240690a_100015525214_100012001110 [0,1,0,0,0,1|2,0,0]=4 2885 B13R1.20 CCNC(=O)Cc1cccc(n1)C 527a_100015525214_100012001110 [0,1,0,0,0,1|2,0,0]=4 2886 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 11a_100015525214_100000090259 [0,1,0,0,0,1|2,0,0]=4 2887 B13R1.20 CCNC(=O)Cc1cccc(n1)Cl 240690a_100015525214_100000090259 [0,1,0,0,0,1|2,0,0]=4 2888 B13R1.20 CCNC(=O)Cc1cccc(n1)F 11a_100015525214_100000096803 [0,1,0,0,0,1|2,0,0]=4 2889 B13R1.20 CCNC(=O)Cc1cccc(n1)F 240690a_100015525214_100000096803 [0,1,0,0,0,1|2,0,0]=4 2890 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 11a_100015525214_100010126891 [0,1,0,0,0,1|2,0,0]=4 2891 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 240690a_100015525214_100010126891 [0,1,0,0,0,1|2,0,0]=4 2892 B13R1.20 CCNC(=O)Cc1ccnc(c1)Br 527a_100015525214_100010126891 [0,1,0,0,0,1|2,0,0]=4 2893 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 11a_100015525214_100000085289 [0,1,0,0,0,1|2,0,0]=4 2894 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 240690a_100015525214_100000085289 [0,1,0,0,0,1|2,0,0]=4 2895 B13R1.20 CCNC(=O)Cc1ccnc(c1)Cl 527a_100015525214_100000085289 [0,1,0,0,0,1|2,0,0]=4 2896 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 11a_100015525214_100000239331 [0,1,0,0,0,1|2,0,0]=4 2897 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 240690a_100015525214_100000239331 [0,1,0,0,0,1|2,0,0]=4 2898 B13R1.20 CCNC(=O)Cc1cncc(c1)Br 527a_100015525214_100000239331 [0,1,0,0,0,1|2,0,0]=4 2899 B13R1.20 CCNC(=O)Cc1cncc(c1)F 11a_100015525214_100011667516 [0,1,0,0,0,1|2,0,0]=4 2900 B13R1.20 CCNC(=O)Cc1cncc(c1)F 240690a_100015525214_100011667516 [0,1,0,0,0,1|2,0,0]=4 2901 B13R1.20 CCNC(=O)Cc1cncc(c1)F 527a_100015525214_100011667516 [0,1,0,0,0,1|2,0,0]=4 2902 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100015525214 [0,1,0,0,0,1|1,0,0]=3 2903 B13R1.20 CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100015525214 [0,1,0,0,0,1|1,0,0]=3 2904 B13R1.20 CCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100015525214 [0,1,0,0,0,1|1,0,0]=3 2905 B13R1.20 CCNC(=O)Nc1cccc(c1)C 512a_100000188690_100015525214 [0,1,0,0,0,1|1,0,0]=3 2906 B13R1.20 CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100015525214 [0,1,0,0,0,1|1,0,0]=3 2907 B13R1.20 CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100015525214 [0,1,0,0,0,1|1,0,0]=3 2908 B13R1.20 CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100015525214 [0,1,0,0,0,1|1,0,0]=3 2909 B13R1.20 CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100015525214 [0,1,0,0,0,1|1,0,0]=3 2910 B13R1.20 CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100015525214 [0,1,0,0,0,1|1,0,0]=3 2911 B13R1.20 CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100015525214 [0,1,0,0,0,1|1,0,0]=3 2912 B13R1.20 CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100015525214 [0,1,0,0,0,1|1,0,0]=3 2913 B13R1.20 CCOC(=O)Cc1cc(ccn1)O 271570a_203496583355_100000716784 [0,1,0,0,0,1|1,0,0]=3 2914 B13R1.20 CCOC(=O)Cc1cc(ncn1)O 271570a_203496583355_100010155067 [0,1,0,0,0,1|2,0,0]=4 2915 B13R1.20 CCOC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586817 [0,1,0,0,0,1|0,0,0]=2 2916 B13R1.20 CCOC(=O)Cc1cccc(n1)O 271570a_203496583355_100010230180 [0,1,0,0,0,1|1,0,0]=3 2917 B13R1.20 CCOC(=O)Cc1ccnc(c1)O 271570a_203496583355_100000696486 [0,1,0,0,0,1|1,0,0]=3 2918 B13R1.20 CCOC(=O)Cc1cncc(n1)O 271570a_203496583355_200010173988 [0,1,0,0,0,1|2,0,0]=4 2919 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 2230a_106832991635_100000183509 [0,1,0,0,0,1|2,0,0]=4 2920 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 34a_100102657272_100000183509 [0,1,0,0,0,1|2,0,0]=4 2921 B13R1.20 CNCC(=O)Nc1cccc(c1)Br 7a_106832991635_100000183509 [0,1,0,0,0,1|2,0,0]=4 2922 B13R1.20 CNCC(=O)Nc1cccc(c1)C 2230a_106832991635_100000182861 [0,1,0,0,0,1|2,0,0]=4 2923 B13R1.20 CNCC(=O)Nc1cccc(c1)C 34a_100102657272_100000182861 [0,1,0,0,0,1|2,0,0]=4 2924 B13R1.20 CNCC(=O)Nc1cccc(c1)C 7a_106832991635_100000182861 [0,1,0,0,0,1|2,0,0]=4 2925 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200000210301 [0,1,0,0,0,1|2,0,0]=4 2926 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 2230a_106832991635_100000182995 [0,1,0,0,0,1|2,0,0]=4 2927 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 34a_100102657272_100000182995 [0,1,0,0,0,1|2,0,0]=4 2928 B13R1.20 CNCC(=O)Nc1cccc(c1)Cl 7a_106832991635_100000182995 [0,1,0,0,0,1|2,0,0]=4 2929 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_100000168492_200000210301 [0,1,0,0,0,1|2,0,0]=4 2930 B13R1.20 CNCC(=O)Nc1cccc(c1)F 2230a_106832991635_100000183335 [0,1,0,0,0,1|2,0,0]=4 2931 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100000168492_200000210301 [0,1,0,0,0,1|2,0,0]=4 2932 B13R1.20 CNCC(=O)Nc1cccc(c1)F 34a_100102657272_100000183335 [0,1,0,0,0,1|2,0,0]=4 2933 B13R1.20 CNCC(=O)Nc1cccc(c1)F 7a_106832991635_100000183335 [0,1,0,0,0,1|2,0,0]=4 2934 B13R1.20 CNCC(=O)Nc1cccc(c1)O 2230a_106832991635_100011236192 [0,1,0,0,0,1|2,0,0]=4 2935 B13R1.20 CNCC(=O)Nc1cccc(c1)O 34a_100102657272_100011236192 [0,1,0,0,0,1|2,0,0]=4 2936 B13R1.20 CNCC(=O)Nc1cccc(c1)O 7a_106832991635_100011236192 [0,1,0,0,0,1|2,0,0]=4 2937 B13R1.20 CNNC(=O)Cc1cccc(c1)Br 22a_100016993582_100000747190 [0,1,0,0,0,1|2,0,0]=4 2938 B13R1.20 CNNC(=O)Cc1cccc(c1)C 22a_100016993582_100011206899 [0,1,0,0,0,1|2,0,0]=4 2939 B13R1.20 CNNC(=O)Cc1cccc(c1)Cl 22a_100016993582_100000749307 [0,1,0,0,0,1|2,0,0]=4 2940 B13R1.20 CNNC(=O)Cc1cccc(c1)F 22a_100016993582_100000211661 [0,1,0,0,0,1|2,0,0]=4 2941 B13R1.20 CNNC(=O)Cc1cccc(c1)I 22a_100016993582_100000238430 [0,1,0,0,0,1|2,0,0]=4 2942 B13R1.20 CNNC(=O)Cc1cccc(c1)O 22a_100016993582_100000745134 [0,1,0,0,0,1|2,0,0]=4 2943 B13R1.20 CNNC(=O)Nc1cccc(c1)Br 512a_100000210019_100016993582 [0,1,0,0,0,1|2,0,0]=4 2944 B13R1.20 CNNC(=O)Nc1cccc(c1)C 512a_100000188690_100016993582 [0,1,0,0,0,1|2,0,0]=4 2945 B13R1.20 CNNC(=O)Nc1cccc(c1)F 512a_100000210047_100016993582 [0,1,0,0,0,1|2,0,0]=4 2946 B13R1.20 CNNC(=O)Nc1cccc(c1)I 512a_100000211102_100016993582 [0,1,0,0,0,1|2,0,0]=4 2947 B13R1.20 CNNC(=O)Nc1cccc(c1)O 512a_100000210217_100016993582 [0,1,0,0,0,1|2,0,0]=4 2948 B13R1.20 COCC(=O)Cc1cccc(c1)Br 1458a_100000210968_100000211773 [0,1,0,0,0,1|2,0,0]=4 2949 B13R1.20 COCC(=O)Cc1cccc(c1)C 1458a_100000210968_100000211840 [0,1,0,0,0,1|2,0,0]=4 2950 B13R1.20 COCC(=O)Cc1cccc(c1)Cl 1458a_100000210968_100000181238 [0,1,0,0,0,1|2,0,0]=4 2951 B13R1.20 COCC(=O)Cc1cccc(c1)F 1458a_100000210968_100000230114 [0,1,0,0,0,1|2,0,0]=4 2952 B13R1.20 COCC(=O)Cc1cccc(c1)I 1458a_100000210968_100011218688 [0,1,0,0,0,1|2,0,0]=4 2953 B13R1.20 COCC(=O)Cc1cccc(c1)O 1458a_100000210968_100011660834 [0,1,0,0,0,1|2,0,0]=4 2954 B13R1.20 COCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210968 [0,1,0,0,0,1|2,0,0]=4 2955 B13R1.20 COCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210968 [0,1,0,0,0,1|2,0,0]=4 2956 B13R1.20 COCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210968 [0,1,0,0,0,1|2,0,0]=4 2957 B13R1.20 COCC(=O)Nc1cccc(c1)Br 34a_100138415774_100000183509 [0,1,0,0,0,1|2,0,0]=4 2958 B13R1.20 COCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210968 [0,1,0,0,0,1|2,0,0]=4 2959 B13R1.20 COCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210968 [0,1,0,0,0,1|2,0,0]=4 2960 B13R1.20 COCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210968 [0,1,0,0,0,1|2,0,0]=4 2961 B13R1.20 COCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210968 [0,1,0,0,0,1|2,0,0]=4 2962 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100000749660_200000210301 [0,1,0,0,0,1|2,0,0]=4 2963 B13R1.20 COCC(=O)Nc1cccc(c1)C 34a_100138415774_100000182861 [0,1,0,0,0,1|2,0,0]=4 2964 B13R1.20 COCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210968 [0,1,0,0,0,1|2,0,0]=4 2965 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210968 [0,1,0,0,0,1|2,0,0]=4 2966 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210968 [0,1,0,0,0,1|2,0,0]=4 2967 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210968 [0,1,0,0,0,1|2,0,0]=4 2968 B13R1.20 COCC(=O)Nc1cccc(c1)Cl 34a_100138415774_100000182995 [0,1,0,0,0,1|2,0,0]=4 2969 B13R1.20 COCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210968 [0,1,0,0,0,1|2,0,0]=4 2970 B13R1.20 COCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210968 [0,1,0,0,0,1|2,0,0]=4 2971 B13R1.20 COCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210968 [0,1,0,0,0,1|2,0,0]=4 2972 B13R1.20 COCC(=O)Nc1cccc(c1)F 34a_100138415774_100000183335 [0,1,0,0,0,1|2,0,0]=4 2973 B13R1.20 COCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210968 [0,1,0,0,0,1|2,0,0]=4 2974 B13R1.20 COCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210968 [0,1,0,0,0,1|2,0,0]=4 2975 B13R1.20 COCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210968 [0,1,0,0,0,1|2,0,0]=4 2976 B13R1.20 COCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210968 [0,1,0,0,0,1|2,0,0]=4 2977 B13R1.20 COCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210968 [0,1,0,0,0,1|2,0,0]=4 2978 B13R1.20 COCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210968 [0,1,0,0,0,1|2,0,0]=4 2979 B13R1.20 COCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210968 [0,1,0,0,0,1|2,0,0]=4 2980 B13R1.20 COCC(=O)Nc1cccc(c1)O 271570a_203496583355_100000158352 [0,1,0,0,0,1|2,0,0]=4 2981 B13R1.20 COCC(=O)Nc1cccc(c1)O 34a_100138415774_100011236192 [0,1,0,0,0,1|2,0,0]=4 2982 B13R1.20 COCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210968 [0,1,0,0,0,1|2,0,0]=4 2983 B13R1.20 CSCC(=O)Cc1cccc(c1)Br 1458a_100000184570_100000211773 [0,1,0,0,0,1|2,0,0]=4 2984 B13R1.20 CSCC(=O)Cc1cccc(c1)C 1458a_100000184570_100000211840 [0,1,0,0,0,1|2,0,0]=4 2985 B13R1.20 CSCC(=O)Cc1cccc(c1)Cl 1458a_100000184570_100000181238 [0,1,0,0,0,1|2,0,0]=4 2986 B13R1.20 CSCC(=O)Cc1cccc(c1)F 1458a_100000184570_100000230114 [0,1,0,0,0,1|2,0,0]=4 2987 B13R1.20 CSCC(=O)Cc1cccc(c1)I 1458a_100000184570_100011218688 [0,1,0,0,0,1|2,0,0]=4 2988 B13R1.20 CSCC(=O)Cc1cccc(c1)O 1458a_100000184570_100011660834 [0,1,0,0,0,1|2,0,0]=4 2989 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000184570 [0,1,0,0,0,1|2,0,0]=4 2990 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000184570 [0,1,0,0,0,1|2,0,0]=4 2991 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000184570 [0,1,0,0,0,1|2,0,0]=4 2992 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000184570 [0,1,0,0,0,1|2,0,0]=4 2993 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 62a_100000183509_200000210301 [0,1,0,0,0,1|2,0,0]=4 2994 B13R1.20 CSCC(=O)Nc1cccc(c1)Br 62a_200000210301_100000183509 [0,1,0,0,0,1|2,0,0]=4 2995 B13R1.20 CSCC(=O)Nc1cccc(c1)C 11a_100000188690_100000184570 [0,1,0,0,0,1|2,0,0]=4 2996 B13R1.20 CSCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000184570 [0,1,0,0,0,1|2,0,0]=4 2997 B13R1.20 CSCC(=O)Nc1cccc(c1)C 22a_100000188690_100000184570 [0,1,0,0,0,1|2,0,0]=4 2998 B13R1.20 CSCC(=O)Nc1cccc(c1)C 527a_100000188690_100000184570 [0,1,0,0,0,1|2,0,0]=4 2999 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_100000243722_200000210301 [0,1,0,0,0,1|2,0,0]=4 3000 B13R1.20 CSCC(=O)Nc1cccc(c1)C 62a_200000210301_100000182861 [0,1,0,0,0,1|2,0,0]=4 3001 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000184570 [0,1,0,0,0,1|2,0,0]=4 3002 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000184570 [0,1,0,0,0,1|2,0,0]=4 3003 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000184570 [0,1,0,0,0,1|2,0,0]=4 3004 B13R1.20 CSCC(=O)Nc1cccc(c1)Cl 62a_200000210301_100000182995 [0,1,0,0,0,1|2,0,0]=4 3005 B13R1.20 CSCC(=O)Nc1cccc(c1)F 11a_100000210047_100000184570 [0,1,0,0,0,1|2,0,0]=4 3006 B13R1.20 CSCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000184570 [0,1,0,0,0,1|2,0,0]=4 3007 B13R1.20 CSCC(=O)Nc1cccc(c1)F 22a_100000210047_100000184570 [0,1,0,0,0,1|2,0,0]=4 3008 B13R1.20 CSCC(=O)Nc1cccc(c1)F 527a_100000210047_100000184570 [0,1,0,0,0,1|2,0,0]=4 3009 B13R1.20 CSCC(=O)Nc1cccc(c1)F 62a_100000183335_200000210301 [0,1,0,0,0,1|2,0,0]=4 3010 B13R1.20 CSCC(=O)Nc1cccc(c1)F 62a_200000210301_100000183335 [0,1,0,0,0,1|2,0,0]=4 3011 B13R1.20 CSCC(=O)Nc1cccc(c1)I 11a_100000211102_100000184570 [0,1,0,0,0,1|2,0,0]=4 3012 B13R1.20 CSCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000184570 [0,1,0,0,0,1|2,0,0]=4 3013 B13R1.20 CSCC(=O)Nc1cccc(c1)I 22a_100000211102_100000184570 [0,1,0,0,0,1|2,0,0]=4 3014 B13R1.20 CSCC(=O)Nc1cccc(c1)I 527a_100000211102_100000184570 [0,1,0,0,0,1|2,0,0]=4 3015 B13R1.20 CSCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000184570 [0,1,0,0,0,1|2,0,0]=4 3016 B13R1.20 CSCC(=O)Nc1cccc(c1)O 22a_100000210217_100000184570 [0,1,0,0,0,1|2,0,0]=4 3017 B13R1.20 CSCC(=O)Nc1cccc(c1)O 527a_100000210217_100000184570 [0,1,0,0,0,1|2,0,0]=4 3018 B13R1.20 CSCC(=O)Nc1cccc(c1)O 62a_200000210301_100011236192 [0,1,0,0,0,1|2,0,0]=4 3019 B13R1.20 Cc1cccc(c1)CC(=O)CCF 1458a_100011206899_100011217306 [0,1,0,0,0,1|2,0,0]=4 3020 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011206899_100000211926 [0,1,0,0,0,1|2,0,0]=4 3021 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011216618_100000211840 [0,1,0,0,0,1|2,0,0]=4 3022 B13R1.20 Cc1cccc(c1)NC(=O)CCO 22a_100000188690_100011216618 [0,1,0,0,0,1|2,0,0]=4 3023 B13R1.20 Cc1cccc(c1)NC(=O)CO[13CH3] 34a_100000749660_200025704644 [0,1,0,0,0,1|2,0,0]=4 3024 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_100000243722_200025704644 [0,1,0,0,0,1|2,0,0]=4 3025 B13R1.20 Cc1cccc(c1)NC(=O)CS[13CH3] 62a_200025704644_100000182861 [0,1,0,0,0,1|2,0,0]=4 3026 B13R1.20 O=C(CCF)Cc1cccc(c1)Br 1458a_100000747190_100011217306 [0,1,0,0,0,1|2,0,0]=4 3027 B13R1.20 O=C(CCF)Cc1cccc(c1)Cl 1458a_100000749307_100011217306 [0,1,0,0,0,1|2,0,0]=4 3028 B13R1.20 O=C(CCF)Cc1cccc(c1)F 1458a_100000211661_100011217306 [0,1,0,0,0,1|2,0,0]=4 3029 B13R1.20 O=C(CCF)Cc1cccc(c1)I 1458a_100000238430_100011217306 [0,1,0,0,0,1|2,0,0]=4 3030 B13R1.20 O=C(CCF)Cc1cccc(c1)O 1458a_100000745134_100011217306 [0,1,0,0,0,1|2,0,0]=4 3031 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100000747190_100000211926 [0,1,0,0,0,1|2,0,0]=4 3032 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100011216618_100000211773 [0,1,0,0,0,1|2,0,0]=4 3033 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100000749307_100000211926 [0,1,0,0,0,1|2,0,0]=4 3034 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100011216618_100000181238 [0,1,0,0,0,1|2,0,0]=4 3035 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100000211661_100000211926 [0,1,0,0,0,1|2,0,0]=4 3036 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100011216618_100000230114 [0,1,0,0,0,1|2,0,0]=4 3037 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100000238430_100000211926 [0,1,0,0,0,1|2,0,0]=4 3038 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100011216618_100011218688 [0,1,0,0,0,1|2,0,0]=4 3039 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100000745134_100000211926 [0,1,0,0,0,1|2,0,0]=4 3040 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100011216618_100011660834 [0,1,0,0,0,1|2,0,0]=4 3041 B13R1.20 O=C(CCO)Nc1cccc(c1)Br 22a_100000210019_100011216618 [0,1,0,0,0,1|2,0,0]=4 3042 B13R1.20 O=C(CCO)Nc1cccc(c1)Cl 22a_100000185859_100011216618 [0,1,0,0,0,1|2,0,0]=4 3043 B13R1.20 O=C(CCO)Nc1cccc(c1)F 22a_100000210047_100011216618 [0,1,0,0,0,1|2,0,0]=4 3044 B13R1.20 O=C(CCO)Nc1cccc(c1)I 22a_100000211102_100011216618 [0,1,0,0,0,1|2,0,0]=4 3045 B13R1.20 O=C(CCO)Nc1cccc(c1)O 22a_100000210217_100011216618 [0,1,0,0,0,1|2,0,0]=4 3046 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_200025704644 [0,1,0,0,0,1|2,0,0]=4 3047 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 2230a_100000168492_200025704644 [0,1,0,0,0,1|2,0,0]=4 3048 B13R1.20 [13CH3]NCC(=O)Nc1cccc(c1)F 34a_100000168492_200025704644 [0,1,0,0,0,1|2,0,0]=4 3049 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Br 62a_100000183509_200025704644 [0,1,0,0,0,1|2,0,0]=4 3050 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Br 62a_200025704644_100000183509 [0,1,0,0,0,1|2,0,0]=4 3051 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)Cl 62a_200025704644_100000182995 [0,1,0,0,0,1|2,0,0]=4 3052 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)F 62a_100000183335_200025704644 [0,1,0,0,0,1|2,0,0]=4 3053 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)F 62a_200025704644_100000183335 [0,1,0,0,0,1|2,0,0]=4 3054 B13R1.20 [13CH3]SCC(=O)Nc1cccc(c1)O 62a_200025704644_100011236192 [0,1,0,0,0,1|2,0,0]=4 3055 B13R1.44 C#CCCC(=O)Cc1ccccc1 1458a_100000692101_100015291786 [0,1,0,0,0,1|1,0,1]=4 3056 B13R1.44 C#CCCC(=O)Nc1ccccc1 11a_100000106764_100000692101 [0,1,0,0,0,1|1,0,1]=4 3057 B13R1.44 C#CCCC(=O)Nc1ccccc1 1626a_100000106764_100000692101 [0,1,0,0,0,1|1,0,1]=4 3058 B13R1.44 C#CCCC(=O)Nc1ccccc1 22a_100000106764_100000692101 [0,1,0,0,0,1|1,0,1]=4 3059 B13R1.44 C#CCCC(=O)Nc1ccccc1 527a_100000106764_100000692101 [0,1,0,0,0,1|1,0,1]=4 3060 B13R1.44 C#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000212058 [0,1,0,0,0,1|1,0,1]=4 3061 B13R1.44 C/C(=C\c1ccccc1)/COCF 34a_200025717232_100015361967 [0,1,0,0,0,1|2,0,0]=4 3062 B13R1.44 C/C(=C\c1ccccc1)/COCF 7a_200025717232_100015361967 [0,1,0,0,0,1|2,0,0]=4 3063 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,1,0,0,0,1|1,0,1]=4 3064 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [0,1,0,0,0,1|1,0,1]=4 3065 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [0,1,0,0,0,1|1,0,1]=4 3066 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [0,1,0,0,0,1|1,0,1]=4 3067 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [0,1,0,0,0,1|1,0,1]=4 3068 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [0,1,0,0,0,1|1,0,1]=4 3069 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,1,0,0,0,1|1,0,1]=4 3070 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,1,0,0,0,1|1,0,1]=4 3071 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,1,0,0,0,1|1,0,1]=4 3072 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,1,0,0,0,1|1,0,1]=4 3073 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,1,0,0,0,1|1,0,1]=4 3074 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,1,0,0,0,1|1,0,1]=4 3075 B13R1.44 CC=CCC(=O)Cc1ccccc1 1458a_100121576822_100015291786 [0,1,0,0,0,1|1,0,1]=4 3076 B13R1.44 CC=CCC(=O)Nc1ccccc1 11a_100000106764_100121576822 [0,1,0,0,0,1|1,0,1]=4 3077 B13R1.44 CC=CCC(=O)Nc1ccccc1 1626a_100000106764_100121576822 [0,1,0,0,0,1|1,0,1]=4 3078 B13R1.44 CC=CCC(=O)Nc1ccccc1 22a_100000106764_100121576822 [0,1,0,0,0,1|1,0,1]=4 3079 B13R1.44 CC=CCC(=O)Nc1ccccc1 527a_100000106764_100121576822 [0,1,0,0,0,1|1,0,1]=4 3080 B13R1.44 CC=NNC(=O)Cc1ccccc1 4a_100000182964_200000210099 [0,1,0,0,0,1|1,0,1]=4 3081 B13R1.44 CCC#CC(=O)Cc1ccccc1 1458a_100011827653_100015291786 [0,1,0,0,0,1|1,0,0]=3 3082 B13R1.44 CCC#CC(=O)Cc1ccccn1 1458a_100011827653_100000721315 [0,1,0,0,0,1|2,0,0]=4 3083 B13R1.44 CCC#CC(=O)Cc1cccnc1 1458a_100011827653_100000733263 [0,1,0,0,0,1|2,0,0]=4 3084 B13R1.44 CCC#CC(=O)Cc1ccncc1 1458a_100011827653_100000705612 [0,1,0,0,0,1|2,0,0]=4 3085 B13R1.44 CCC#CC(=O)Nc1ccccc1 22a_100000106764_100011827653 [0,1,0,0,0,1|1,0,0]=3 3086 B13R1.44 CCC=CC(=O)Cc1ccccc1 1458a_100000212282_100015291786 [0,1,0,0,0,1|1,0,0]=3 3087 B13R1.44 CCC=CC(=O)Cc1ccccn1 1458a_100000212282_100000721315 [0,1,0,0,0,1|2,0,0]=4 3088 B13R1.44 CCC=CC(=O)Cc1cccnc1 1458a_100000212282_100000733263 [0,1,0,0,0,1|2,0,0]=4 3089 B13R1.44 CCC=CC(=O)Cc1ccncc1 1458a_100000212282_100000705612 [0,1,0,0,0,1|2,0,0]=4 3090 B13R1.44 CCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212282 [0,1,0,0,0,1|1,0,0]=3 3091 B13R1.44 CCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212282 [0,1,0,0,0,1|1,0,0]=3 3092 B13R1.44 CCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212282 [0,1,0,0,0,1|1,0,0]=3 3093 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,1,0,0,0,1|2,0,0]=4 3094 B13R1.44 CCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210211 [0,1,0,0,0,1|2,0,0]=4 3095 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,1,0,0,0,1|1,0,0]=3 3096 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000210183_100000721315 [0,1,0,0,0,1|2,0,0]=4 3097 B13R1.44 CCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210211 [0,1,0,0,0,1|2,0,0]=4 3098 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000210183_100000733263 [0,1,0,0,0,1|2,0,0]=4 3099 B13R1.44 CCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210211 [0,1,0,0,0,1|2,0,0]=4 3100 B13R1.44 CCCCC(=O)Cc1ccncc1 1458a_100000210183_100000705612 [0,1,0,0,0,1|2,0,0]=4 3101 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,1,0,0,0,1|1,0,0]=3 3102 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,1,0,0,0,1|1,0,0]=3 3103 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,1,0,0,0,1|1,0,0]=3 3104 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,1,0,0,0,1|1,0,0]=3 3105 B13R1.44 CCCNC(=O)C[n+]1ccccc1 11a_100020643023_200000086051 [0,1,0,0,0,1|2,0,0]=4 3106 B13R1.44 CCCNC(=O)C[n+]1ccccc1 240690a_100020643023_200000086051 [0,1,0,0,0,1|2,0,0]=4 3107 B13R1.44 CCCNC(=O)C[n+]1ccccc1 527a_100020643023_200000086051 [0,1,0,0,0,1|2,0,0]=4 3108 B13R1.44 CCCNC(=O)Cc1ccccn1 11a_100020643023_100000233486 [0,1,0,0,0,1|2,0,0]=4 3109 B13R1.44 CCCNC(=O)Cc1cccnc1 11a_100020643023_100000737805 [0,1,0,0,0,1|2,0,0]=4 3110 B13R1.44 CCCNC(=O)Cc1cccnc1 240690a_100020643023_100000737805 [0,1,0,0,0,1|2,0,0]=4 3111 B13R1.44 CCCNC(=O)Cc1cccnc1 527a_100020643023_100000737805 [0,1,0,0,0,1|2,0,0]=4 3112 B13R1.44 CCCNC(=O)Cc1ccncc1 11a_100020643023_100011201483 [0,1,0,0,0,1|2,0,0]=4 3113 B13R1.44 CCCNC(=O)Cc1ccncc1 240690a_100020643023_100011201483 [0,1,0,0,0,1|2,0,0]=4 3114 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [0,1,0,0,0,1|1,0,0]=3 3115 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,1,0,0,0,1|1,0,1]=4 3116 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,1,0,0,0,1|1,0,1]=4 3117 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,1,0,0,0,1|1,0,1]=4 3118 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,1,0,0,0,1|1,0,0]=3 3119 B13R1.44 CCNCC(=O)Nc1ccccc1 2230a_100015525214_100000182850 [0,1,0,0,0,1|1,0,0]=3 3120 B13R1.44 CCNCC(=O)Nc1ccccn1 2230a_100015525214_100020662008 [0,1,0,0,0,1|2,0,0]=4 3121 B13R1.44 CCNCC(=O)Nc1ccncc1 2230a_100015525214_100000754145 [0,1,0,0,0,1|2,0,0]=4 3122 B13R1.44 CCNCC(=O)Oc1ccccc1 2230a_100015525214_100009813826 [0,1,0,0,0,1|1,0,0]=3 3123 B13R1.44 CCNNC(=O)C[n+]1ccccc1 22a_100000756455_200000086051 [0,1,0,0,0,1|2,0,0]=4 3124 B13R1.44 CCNNC(=O)Cc1ccccn1 22a_100000756455_100000233486 [0,1,0,0,0,1|2,0,0]=4 3125 B13R1.44 CCNNC(=O)Cc1cccnc1 22a_100000756455_100000737805 [0,1,0,0,0,1|2,0,0]=4 3126 B13R1.44 CCNNC(=O)Cc1ccncc1 22a_100000756455_100011201483 [0,1,0,0,0,1|2,0,0]=4 3127 B13R1.44 CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210202 [0,1,0,0,0,1|1,0,0]=3 3128 B13R1.44 CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210202 [0,1,0,0,0,1|1,0,0]=3 3129 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,1,0,0,0,1|0,0,0]=2 3130 B13R1.44 CCOCC(=O)Cc1ccccn1 1458a_100000211967_100000721315 [0,1,0,0,0,1|1,0,0]=3 3131 B13R1.44 CCOCC(=O)Cc1cccnc1 1458a_100000211967_100000733263 [0,1,0,0,0,1|1,0,0]=3 3132 B13R1.44 CCOCC(=O)Cc1cccnn1 1458a_100000211967_100016990269 [0,1,0,0,0,1|2,0,0]=4 3133 B13R1.44 CCOCC(=O)Cc1ccncc1 1458a_100000211967_100000705612 [0,1,0,0,0,1|1,0,0]=3 3134 B13R1.44 CCOCC(=O)Cc1cnccn1 1458a_100000211967_100016995436 [0,1,0,0,0,1|2,0,0]=4 3135 B13R1.44 CCOCC(=O)Cc1cncnc1 1458a_100000211967_100015196519 [0,1,0,0,0,1|2,0,0]=4 3136 B13R1.44 CCOCC(=O)Cc1ncccn1 1458a_100000211967_100000703007 [0,1,0,0,0,1|2,0,0]=4 3137 B13R1.44 CCOCC(=O)Nc1ccccc1 11a_100000106764_100000211967 [0,1,0,0,0,1|0,0,0]=2 3138 B13R1.44 CCOCC(=O)Nc1ccccc1 1626a_100000106764_100000211967 [0,1,0,0,0,1|0,0,0]=2 3139 B13R1.44 CCOCC(=O)Nc1ccccc1 22a_100000106764_100000211967 [0,1,0,0,0,1|0,0,0]=2 3140 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100000246334_100000210202 [0,1,0,0,0,1|0,0,0]=2 3141 B13R1.44 CCOCC(=O)Nc1ccccc1 34a_100121572206_100000182850 [0,1,0,0,0,1|0,0,0]=2 3142 B13R1.44 CCOCC(=O)Nc1ccccc1 527a_100000106764_100000211967 [0,1,0,0,0,1|0,0,0]=2 3143 B13R1.44 CCOCC(=O)Oc1ccccc1 34a_100121572206_100009813826 [0,1,0,0,0,1|0,0,0]=2 3144 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,1,0,0,0,1|1,0,1]=4 3145 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,1,0,0,0,1|1,0,1]=4 3146 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,1,0,0,0,1|1,0,1]=4 3147 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,1,0,0,0,1|1,0,1]=4 3148 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,1,0,0,0,1|1,0,1]=4 3149 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,1,0,0,0,1|2,0,0]=4 3150 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,1,0,0,0,1|0,0,2]=4 3151 B13R1.44 CCSCC(=O)Cc1ccccc1 1458a_100000230394_100015291786 [0,1,0,0,0,1|0,1,0]=3 3152 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000210202_100000233483 [0,1,0,0,0,1|0,1,0]=3 3153 B13R1.44 CCSCC(=O)Cc1ccccc1 62a_100000233483_100000210202 [0,1,0,0,0,1|0,1,0]=3 3154 B13R1.44 CCSCC(=O)Cc1ccccn1 1458a_100000230394_100000721315 [0,1,0,0,0,1|1,1,0]=4 3155 B13R1.44 CCSCC(=O)Cc1cccnc1 1458a_100000230394_100000733263 [0,1,0,0,0,1|1,1,0]=4 3156 B13R1.44 CCSCC(=O)Cc1ccncc1 1458a_100000230394_100000705612 [0,1,0,0,0,1|1,1,0]=4 3157 B13R1.44 CCSCC(=O)Nc1ccccc1 11a_100000106764_100000230394 [0,1,0,0,0,1|0,1,0]=3 3158 B13R1.44 CCSCC(=O)Nc1ccccc1 1626a_100000106764_100000230394 [0,1,0,0,0,1|0,1,0]=3 3159 B13R1.44 CCSCC(=O)Nc1ccccc1 22a_100000106764_100000230394 [0,1,0,0,0,1|0,1,0]=3 3160 B13R1.44 CCSCC(=O)Nc1ccccc1 527a_100000106764_100000230394 [0,1,0,0,0,1|0,1,0]=3 3161 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100000210202_100000182850 [0,1,0,0,0,1|0,1,0]=3 3162 B13R1.44 CCSCC(=O)Nc1ccccc1 62a_100012148978_100000210202 [0,1,0,0,0,1|0,1,0]=3 3163 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100000210202_100020662008 [0,1,0,0,0,1|1,1,0]=4 3164 B13R1.44 CCSCC(=O)Nc1ccccn1 62a_100020662008_100000210202 [0,1,0,0,0,1|1,1,0]=4 3165 B13R1.44 CCSCC(=O)Nc1ccncc1 62a_100000210202_100000754145 [0,1,0,0,0,1|1,1,0]=4 3166 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100000210202_100009813826 [0,1,0,0,0,1|0,1,0]=3 3167 B13R1.44 CCSCC(=O)Oc1ccccc1 62a_100009813826_100000210202 [0,1,0,0,0,1|0,1,0]=3 3168 B13R1.44 CNCCC(=O)Nc1ccccc1 2230a_106832991635_100000242058 [0,1,0,0,0,1|1,0,0]=3 3169 B13R1.44 CNCCC(=O)Nc1ccccc1 34a_100102657272_100000242058 [0,1,0,0,0,1|1,0,0]=3 3170 B13R1.44 CNCCC(=O)Nc1ccccc1 7a_106832991635_100000242058 [0,1,0,0,0,1|1,0,0]=3 3171 B13R1.44 CNCCC(=O)Nc1cccnc1 2230a_106832991635_200015187043 [0,1,0,0,0,1|2,0,0]=4 3172 B13R1.44 CNCCC(=O)Nc1cccnc1 34a_100000748795_200000210301 [0,1,0,0,0,1|2,0,0]=4 3173 B13R1.44 CNCCC(=O)Nc1cccnc1 7a_106832991635_200015187043 [0,1,0,0,0,1|2,0,0]=4 3174 B13R1.44 CNCCC(=O)Oc1ccccc1 2230a_106832991635_200000035796 [0,1,0,0,0,1|1,0,0]=3 3175 B13R1.44 CNCCC(=O)Oc1ccccc1 7a_106832991635_200000035796 [0,1,0,0,0,1|1,0,0]=3 3176 B13R1.44 COC=CC(=O)Cc1ccccc1 1458a_100016268678_100015291786 [0,1,0,0,0,1|1,0,1]=4 3177 B13R1.44 COC=CC(=O)Nc1ccccc1 1626a_100000106764_100016268678 [0,1,0,0,0,1|1,0,1]=4 3178 B13R1.44 COC=CC(=O)Nc1ccccc1 22a_100000106764_100016268678 [0,1,0,0,0,1|1,0,1]=4 3179 B13R1.44 COCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000233755 [0,1,0,0,0,1|2,0,0]=4 3180 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,1,0,0,0,1|1,0,0]=3 3181 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000233486_100000233755 [0,1,0,0,0,1|2,0,0]=4 3182 B13R1.44 COCCC(=O)Cc1ccccn1 1458a_100000749529_100000721315 [0,1,0,0,0,1|2,0,0]=4 3183 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000737805_100000233755 [0,1,0,0,0,1|2,0,0]=4 3184 B13R1.44 COCCC(=O)Cc1cccnc1 1458a_100000749529_100000733263 [0,1,0,0,0,1|2,0,0]=4 3185 B13R1.44 COCCC(=O)Cc1ccncc1 1458a_100000749529_100000705612 [0,1,0,0,0,1|2,0,0]=4 3186 B13R1.44 COCCC(=O)Nc1ccccc1 11a_100000106764_100000749529 [0,1,0,0,0,1|1,0,0]=3 3187 B13R1.44 COCCC(=O)Nc1ccccc1 1626a_100000106764_100000749529 [0,1,0,0,0,1|1,0,0]=3 3188 B13R1.44 COCCC(=O)Nc1ccccc1 22a_100000106764_100000749529 [0,1,0,0,0,1|1,0,0]=3 3189 B13R1.44 COCCC(=O)Nc1ccccc1 34a_100138415774_100000242058 [0,1,0,0,0,1|1,0,0]=3 3190 B13R1.44 COCCC(=O)Nc1ccccc1 527a_100000106764_100000749529 [0,1,0,0,0,1|1,0,0]=3 3191 B13R1.44 CSCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000751147 [0,1,0,0,0,1|2,0,0]=4 3192 B13R1.44 CSCCC(=O)Cc1ccccc1 1458a_100000174002_100015291786 [0,1,0,0,0,1|1,0,0]=3 3193 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000174002_100000721315 [0,1,0,0,0,1|2,0,0]=4 3194 B13R1.44 CSCCC(=O)Cc1ccccn1 1458a_100000233486_100000751147 [0,1,0,0,0,1|2,0,0]=4 3195 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000174002_100000733263 [0,1,0,0,0,1|2,0,0]=4 3196 B13R1.44 CSCCC(=O)Cc1cccnc1 1458a_100000737805_100000751147 [0,1,0,0,0,1|2,0,0]=4 3197 B13R1.44 CSCCC(=O)Cc1ccncc1 1458a_100000174002_100000705612 [0,1,0,0,0,1|2,0,0]=4 3198 B13R1.44 CSCCC(=O)Nc1ccccc1 11a_100000106764_100000174002 [0,1,0,0,0,1|1,0,0]=3 3199 B13R1.44 CSCCC(=O)Nc1ccccc1 1626a_100000106764_100000174002 [0,1,0,0,0,1|1,0,0]=3 3200 B13R1.44 CSCCC(=O)Nc1ccccc1 22a_100000106764_100000174002 [0,1,0,0,0,1|1,0,0]=3 3201 B13R1.44 CSCCC(=O)Nc1ccccc1 527a_100000106764_100000174002 [0,1,0,0,0,1|1,0,0]=3 3202 B13R1.44 CSCCC(=O)Nc1ccccc1 62a_200000210301_100000242058 [0,1,0,0,0,1|1,0,0]=3 3203 B13R1.44 CSCCC(=O)Nc1cccnc1 62a_200000210301_200015187043 [0,1,0,0,0,1|2,0,0]=4 3204 B13R1.44 CSCCC(=O)Oc1ccccc1 62a_200000210301_200000035796 [0,1,0,0,0,1|1,0,0]=3 3205 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,1,0,0,0,1|1,0,1]=4 3206 B13R1.44 N#CCCC(=O)Cc1ccccc1 1458a_100011934036_100015291786 [0,1,0,0,0,1|1,0,1]=4 3207 B13R1.44 N#CCCC(=O)Nc1ccccc1 11a_100000106764_100011934036 [0,1,0,0,0,1|1,0,1]=4 3208 B13R1.44 N#CCCC(=O)Nc1ccccc1 1626a_100000106764_100011934036 [0,1,0,0,0,1|1,0,1]=4 3209 B13R1.44 N#CCCC(=O)Nc1ccccc1 22a_100000106764_100011934036 [0,1,0,0,0,1|1,0,1]=4 3210 B13R1.44 N#CCCC(=O)Nc1ccccc1 527a_100000106764_100011934036 [0,1,0,0,0,1|1,0,1]=4 3211 B13R1.44 N#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000734998 [0,1,0,0,0,1|1,0,1]=4 3212 B13R1.44 O=C(C#CCO)Cc1ccccc1 1458a_100000049017_100015291786 [0,1,0,0,0,1|1,0,1]=4 3213 B13R1.44 O=C(CCCF)C[n+]1ccccc1 1458a_200000086051_100011934791 [0,1,0,0,0,1|2,0,0]=4 3214 B13R1.44 O=C(CCCF)Cc1ccccn1 1458a_100000233486_100011934791 [0,1,0,0,0,1|2,0,0]=4 3215 B13R1.44 O=C(CCCF)Cc1cccnc1 1458a_100000737805_100011934791 [0,1,0,0,0,1|2,0,0]=4 3216 B13R1.44 O=C(CCCO)C[n+]1ccccc1 1458a_200000086051_100011215043 [0,1,0,0,0,1|2,0,0]=4 3217 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,1,0,0,0,1|2,0,0]=4 3218 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,1,0,0,0,1|2,0,0]=4 3219 B13R1.44 O=C(COCF)Nc1ccccc1 34a_100000246334_100015361967 [0,1,0,0,0,1|1,0,0]=3 3220 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100000233483_100015361967 [0,1,0,0,0,1|1,1,0]=4 3221 B13R1.44 O=C(CSCF)Cc1ccccc1 62a_100015361967_100000233483 [0,1,0,0,0,1|1,1,0]=4 3222 B13R1.44 O=C(CSCF)Nc1ccccc1 62a_100012148978_100015361967 [0,1,0,0,0,1|1,1,0]=4 3223 B13R1.44 O=C(CSCF)Nc1ccccc1 62a_100015361967_100000182850 [0,1,0,0,0,1|1,1,0]=4 3224 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100009813826_100015361967 [0,1,0,0,0,1|1,1,0]=4 3225 B13R1.44 O=C(CSCF)Oc1ccccc1 62a_100015361967_100009813826 [0,1,0,0,0,1|1,1,0]=4 3226 B13R1.44 O=C(C[n+]1ccccc1)NCCF 11a_100000724931_200000086051 [0,1,0,0,0,1|2,0,0]=4 3227 B13R1.44 O=C(C[n+]1ccccc1)NCCF 240690a_100000724931_200000086051 [0,1,0,0,0,1|2,0,0]=4 3228 B13R1.44 O=C(C[n+]1ccccc1)NCCF 527a_100000724931_200000086051 [0,1,0,0,0,1|2,0,0]=4 3229 B13R1.44 O=C(C[n+]1ccccc1)NCCO 240690a_100000210304_200000086051 [0,1,0,0,0,1|2,0,0]=4 3230 B13R1.44 O=C(C[n+]1ccccc1)NCCO 527a_100000210304_200000086051 [0,1,0,0,0,1|2,0,0]=4 3231 B13R1.44 O=C(Cc1ccccn1)NCCF 11a_100000724931_100000233486 [0,1,0,0,0,1|2,0,0]=4 3232 B13R1.44 O=C(Cc1cccnc1)NCCF 11a_100000724931_100000737805 [0,1,0,0,0,1|2,0,0]=4 3233 B13R1.44 O=C(Cc1cccnc1)NCCF 240690a_100000724931_100000737805 [0,1,0,0,0,1|2,0,0]=4 3234 B13R1.44 O=C(Cc1cccnc1)NCCF 527a_100000724931_100000737805 [0,1,0,0,0,1|2,0,0]=4 3235 B13R1.44 O=C(Cc1cccnc1)NCCO 240690a_100000210304_100000737805 [0,1,0,0,0,1|2,0,0]=4 3236 B13R1.44 O=C(Cc1cccnc1)NCCO 527a_100000210304_100000737805 [0,1,0,0,0,1|2,0,0]=4 3237 B13R1.44 O=C(Cc1ccncc1)NCCF 11a_100000724931_100011201483 [0,1,0,0,0,1|2,0,0]=4 3238 B13R1.44 O=C(Cc1ccncc1)NCCF 240690a_100000724931_100011201483 [0,1,0,0,0,1|2,0,0]=4 3239 B13R1.44 O=C(Cc1ccncc1)NCCO 240690a_100000210304_100011201483 [0,1,0,0,0,1|2,0,0]=4 3240 B13R1.44 O=C(NCCF)Nc1ccccc1 2430a_100000106764_100000724931 [0,1,0,0,0,1|1,0,0]=3 3241 B13R1.44 O=C(NCCO)Nc1ccccc1 2430a_100000106764_100000210304 [0,1,0,0,0,1|1,0,0]=3 3242 B13R1.44 [13CH3]NCCC(=O)Nc1cccnc1 34a_100000748795_200025704644 [0,1,0,0,0,1|2,0,0]=4 3243 B13R1.44 [13CH3]SCCC(=O)Nc1ccccc1 62a_200025704644_100000242058 [0,1,0,0,0,1|1,0,0]=3 3244 B13R1.44 [13CH3]SCCC(=O)Nc1cccnc1 62a_200025704644_200015187043 [0,1,0,0,0,1|2,0,0]=4 3245 B13R1.44 [13CH3]SCCC(=O)Oc1ccccc1 62a_200025704644_200000035796 [0,1,0,0,0,1|1,0,0]=3 3246 B13R1.47 C=C(C(=O)CCC)c1ccccc1 1458a_100000065200_100000210303 [0,1,0,0,0,1|1,0,0]=3 3247 B13R1.47 C=C(C(=O)CCF)c1ccccc1 1458a_100000065200_100011217306 [0,1,0,0,0,1|2,0,0]=4 3248 B13R1.47 C=C(C(=O)CCO)c1ccccc1 1458a_100000065200_100000211926 [0,1,0,0,0,1|2,0,0]=4 3249 B13R1.47 C=C(C(=O)NNC)c1ccccc1 22a_100016993582_100000065200 [0,1,0,0,0,1|2,0,0]=4 3250 B13R1.47 CC#CC(=O)C(C)c1ccccc1 1458a_100000763181_100000230085 [0,1,0,0,0,1|1,0,1]=4 3251 B13R1.47 CC#CC(=O)N(C)c1ccccc1 22a_100000210012_100000763181 [0,1,0,0,0,1|1,0,1]=4 3252 B13R1.47 CC(C(=O)CCO)c1ccccc1 1458a_100011216618_100000230085 [0,1,0,0,0,1|2,0,0]=4 3253 B13R1.47 CC=CC(=O)C(C)c1ccccc1 1458a_100000210699_100000230085 [0,1,0,0,0,1|1,0,1]=4 3254 B13R1.47 CC=CC(=O)N(C)c1ccccc1 11a_100000210012_100000210699 [0,1,0,0,0,1|1,0,1]=4 3255 B13R1.47 CC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100000210699 [0,1,0,0,0,1|1,0,1]=4 3256 B13R1.47 CC=CC(=O)N(C)c1ccccc1 22a_100000210012_100000210699 [0,1,0,0,0,1|1,0,1]=4 3257 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,1,0,0,0,1|1,0,0]=3 3258 B13R1.47 CCCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210303 [0,1,0,0,0,1|2,0,0]=4 3259 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,1,0,0,0,1|1,0,0]=3 3260 B13R1.47 CCCC(=O)N(C)c1ccccc1 11a_100000210012_100000211992 [0,1,0,0,0,1|1,0,0]=3 3261 B13R1.47 CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211992 [0,1,0,0,0,1|1,0,0]=3 3262 B13R1.47 CCCC(=O)N(C)c1ccccc1 22a_100000210012_100000211992 [0,1,0,0,0,1|1,0,0]=3 3263 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,1,0,0,0,1|1,0,0]=3 3264 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,1,0,0,0,1|1,0,0]=3 3265 B13R1.47 CCNC(=O)C(C)c1ccccn1 11a_100015525214_100000722050 [0,1,0,0,0,1|2,0,0]=4 3266 B13R1.47 CCNC(=O)C(C)c1ccccn1 240690a_100015525214_100000722050 [0,1,0,0,0,1|2,0,0]=4 3267 B13R1.47 CCNC(=O)C(C)c1ccccn1 527a_100015525214_100000722050 [0,1,0,0,0,1|2,0,0]=4 3268 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,1,0,0,0,1|1,0,0]=3 3269 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,1,0,0,0,1|1,0,0]=3 3270 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,1,0,0,0,1|1,0,0]=3 3271 B13R1.47 CCNC(=O)N(C)c1ccccc1 512a_100015525214_100000210012 [0,1,0,0,0,1|1,0,0]=3 3272 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,1,0,0,0,1|1,0,0]=3 3273 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,1,0,0,0,1|1,0,0]=3 3274 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,1,0,0,0,1|1,0,0]=3 3275 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,1,0,0,0,1|1,0,0]=3 3276 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,1,0,0,0,1|1,0,1]=4 3277 B13R1.47 CN(C(=O)CCO)c1ccccc1 22a_100000210012_100011216618 [0,1,0,0,0,1|2,0,0]=4 3278 B13R1.47 CN(C(=O)CN[13CH3])c1ccccc1 2230a_200000174886_200025704644 [0,1,0,0,0,1|2,0,0]=4 3279 B13R1.47 CN(C(=O)CS[13CH3])c1ccccc1 62a_100000183487_200025704644 [0,1,0,0,0,1|2,0,0]=4 3280 B13R1.47 CN(C(=O)CS[13CH3])c1ccccc1 62a_200025704644_100000183487 [0,1,0,0,0,1|2,0,0]=4 3281 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_106832991635_100000183487 [0,1,0,0,0,1|2,0,0]=4 3282 B13R1.47 CNCC(=O)N(C)c1ccccc1 2230a_200000174886_200000210301 [0,1,0,0,0,1|2,0,0]=4 3283 B13R1.47 CNCC(=O)N(C)c1ccccc1 34a_100102657272_100000183487 [0,1,0,0,0,1|2,0,0]=4 3284 B13R1.47 CNCC(=O)N(C)c1ccccc1 7a_106832991635_100000183487 [0,1,0,0,0,1|2,0,0]=4 3285 B13R1.47 CNNC(=O)C(F)c1ccccc1 22a_100016993582_100000698975 [0,1,0,0,0,1|2,0,0]=4 3286 B13R1.47 CNNC(=O)N(C)c1ccccc1 512a_100016993582_100000210012 [0,1,0,0,0,1|2,0,0]=4 3287 B13R1.47 CNNC(=O)[C@@H](C)c1ccccc1 22a_100016993582_100000751047 [0,1,0,0,0,1|2,0,0]=4 3288 B13R1.47 CNNC(=O)[C@H](O)c1ccccc1 22a_100016993582_100000684486 [0,1,0,0,0,1|2,0,0]=4 3289 B13R1.47 COCC(=O)C(C)c1ccccc1 1458a_100000210968_100000230085 [0,1,0,0,0,1|2,0,0]=4 3290 B13R1.47 COCC(=O)N(C)c1ccccc1 11a_100000210012_100000210968 [0,1,0,0,0,1|2,0,0]=4 3291 B13R1.47 COCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210968 [0,1,0,0,0,1|2,0,0]=4 3292 B13R1.47 COCC(=O)N(C)c1ccccc1 22a_100000210012_100000210968 [0,1,0,0,0,1|2,0,0]=4 3293 B13R1.47 COCC(=O)N(C)c1ccccc1 34a_100138415774_100000183487 [0,1,0,0,0,1|2,0,0]=4 3294 B13R1.47 CSCC(=O)C(C)c1ccccc1 1458a_100000184570_100000230085 [0,1,0,0,0,1|2,0,0]=4 3295 B13R1.47 CSCC(=O)N(C)c1ccccc1 11a_100000210012_100000184570 [0,1,0,0,0,1|2,0,0]=4 3296 B13R1.47 CSCC(=O)N(C)c1ccccc1 1626a_100000210012_100000184570 [0,1,0,0,0,1|2,0,0]=4 3297 B13R1.47 CSCC(=O)N(C)c1ccccc1 22a_100000210012_100000184570 [0,1,0,0,0,1|2,0,0]=4 3298 B13R1.47 CSCC(=O)N(C)c1ccccc1 62a_100000183487_200000210301 [0,1,0,0,0,1|2,0,0]=4 3299 B13R1.47 CSCC(=O)N(C)c1ccccc1 62a_200000210301_100000183487 [0,1,0,0,0,1|2,0,0]=4 3300 B13R1.47 C[C@H](C(=O)CCF)c1ccccc1 1458a_100000751047_100011217306 [0,1,0,0,0,1|2,0,0]=4 3301 B13R1.47 C[C@H](C(=O)CCO)c1ccccc1 1458a_100000751047_100000211926 [0,1,0,0,0,1|2,0,0]=4 3302 B13R1.47 O=C(CCF)C(F)c1ccccc1 1458a_100000698975_100011217306 [0,1,0,0,0,1|2,0,0]=4 3303 B13R1.47 O=C(CCF)[C@H](O)c1ccccc1 1458a_100000684486_100011217306 [0,1,0,0,0,1|2,0,0]=4 3304 B13R1.47 O=C(CCO)C(F)c1ccccc1 1458a_100000698975_100000211926 [0,1,0,0,0,1|2,0,0]=4 3305 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,1,0,0,0,1|2,0,0]=4 3306 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,1,0,0,0,1|1,0,1]=4 3307 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,1,0,0,0,1|1,0,1]=4 3308 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,1,0,0,0,1|1,0,1]=4 3309 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,1,0,0,0,1|1,0,1]=4 3310 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,1,0,0,0,1|1,0,1]=4 3311 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,1|1,0,1]=4 3312 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,0,0,0,1|1,0,1]=4 3313 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,0,0,0,1|1,0,1]=4 3314 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,0,0,0,1|1,0,1]=4 3315 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,0,0,0,1|2,0,0]=4 3316 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 2230a_100000754830_200025704644 [0,1,0,0,0,1|2,0,0]=4 3317 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 34a_100000754830_200025704644 [0,1,0,0,0,1|2,0,0]=4 3318 B13R1.135 CC(S[13CH3])C(=O)Nc1ccccc1 62a_100000183986_200025704644 [0,1,0,0,0,1|2,0,0]=4 3319 B13R1.135 CC(S[13CH3])C(=O)Nc1ccccc1 62a_200025704644_100000183986 [0,1,0,0,0,1|2,0,0]=4 3320 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,0,0,0,1|2,0,0]=4 3321 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,0,0,0,1|2,0,0]=4 3322 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,0,0,0,1|2,0,0]=4 3323 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,0,0,0,1|1,0,0]=3 3324 B13R1.135 CCC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000758301 [0,1,0,0,0,1|2,0,0]=4 3325 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,1,0,0,0,1|1,0,0]=3 3326 B13R1.135 CCC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000758301 [0,1,0,0,0,1|2,0,0]=4 3327 B13R1.135 CCC(C)C(=O)Cc1ccccn1 1458a_100011192722_100000721315 [0,1,0,0,0,1|2,0,0]=4 3328 B13R1.135 CCC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000758301 [0,1,0,0,0,1|2,0,0]=4 3329 B13R1.135 CCC(C)C(=O)Cc1cccnc1 1458a_100011192722_100000733263 [0,1,0,0,0,1|2,0,0]=4 3330 B13R1.135 CCC(C)C(=O)Cc1ccncc1 1458a_100011192722_100000705612 [0,1,0,0,0,1|2,0,0]=4 3331 B13R1.135 CCC(C)C(=O)Nc1ccccc1 11a_100000106764_100011192722 [0,1,0,0,0,1|1,0,0]=3 3332 B13R1.135 CCC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011192722 [0,1,0,0,0,1|1,0,0]=3 3333 B13R1.135 CCC(C)C(=O)Nc1ccccc1 22a_100000106764_100011192722 [0,1,0,0,0,1|1,0,0]=3 3334 B13R1.135 CCC(C)C(=O)Nc1ccccc1 527a_100000106764_100011192722 [0,1,0,0,0,1|1,0,0]=3 3335 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,1,0,0,0,1|1,0,0]=3 3336 B13R1.135 CCC(O)C(=O)Cc1ccccn1 1458a_100011196387_100000721315 [0,1,0,0,0,1|2,0,0]=4 3337 B13R1.135 CCC(O)C(=O)Cc1cccnc1 1458a_100011196387_100000733263 [0,1,0,0,0,1|2,0,0]=4 3338 B13R1.135 CCC(O)C(=O)Cc1ccncc1 1458a_100011196387_100000705612 [0,1,0,0,0,1|2,0,0]=4 3339 B13R1.135 CCC(O)C(=O)Nc1ccccc1 22a_100000106764_100011196387 [0,1,0,0,0,1|1,0,0]=3 3340 B13R1.135 CCN(C)C(=O)C[n+]1ccccc1 11a_100000225621_200000086051 [0,1,0,0,0,1|2,0,0]=4 3341 B13R1.135 CCN(C)C(=O)C[n+]1ccccc1 240690a_100000225621_200000086051 [0,1,0,0,0,1|2,0,0]=4 3342 B13R1.135 CCN(C)C(=O)C[n+]1ccccc1 527a_100000225621_200000086051 [0,1,0,0,0,1|2,0,0]=4 3343 B13R1.135 CCN(C)C(=O)Cc1ccccn1 11a_100000225621_100000233486 [0,1,0,0,0,1|2,0,0]=4 3344 B13R1.135 CCN(C)C(=O)Cc1cccnc1 11a_100000225621_100000737805 [0,1,0,0,0,1|2,0,0]=4 3345 B13R1.135 CCN(C)C(=O)Cc1cccnc1 240690a_100000225621_100000737805 [0,1,0,0,0,1|2,0,0]=4 3346 B13R1.135 CCN(C)C(=O)Cc1cccnc1 527a_100000225621_100000737805 [0,1,0,0,0,1|2,0,0]=4 3347 B13R1.135 CCN(C)C(=O)Cc1ccncc1 11a_100000225621_100011201483 [0,1,0,0,0,1|2,0,0]=4 3348 B13R1.135 CCN(C)C(=O)Cc1ccncc1 240690a_100000225621_100011201483 [0,1,0,0,0,1|2,0,0]=4 3349 B13R1.135 CCN(C)C(=O)Nc1ccccc1 2430a_100000106764_100000225621 [0,1,0,0,0,1|1,0,0]=3 3350 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,0,0,0,1|2,0,0]=4 3351 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,0,0,0,1|2,0,0]=4 3352 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,0,0,0,1|2,0,0]=4 3353 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,0,0,0,1|2,0,0]=4 3354 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,0,0,0,1|2,0,0]=4 3355 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_100000754830_200000210301 [0,1,0,0,0,1|2,0,0]=4 3356 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_106832991635_100000183986 [0,1,0,0,0,1|2,0,0]=4 3357 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100000754830_200000210301 [0,1,0,0,0,1|2,0,0]=4 3358 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100102657272_100000183986 [0,1,0,0,0,1|2,0,0]=4 3359 B13R1.135 CNC(C)C(=O)Nc1ccccc1 7a_106832991635_100000183986 [0,1,0,0,0,1|2,0,0]=4 3360 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,0,0,0,1|2,0,0]=4 3361 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,0,0,0,1|2,0,0]=4 3362 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,0,0,0,1|2,0,0]=4 3363 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,1,0,0,0,1|2,0,0]=4 3364 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,1,0,0,0,1|2,0,0]=4 3365 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,1,0,0,0,1|2,0,0]=4 3366 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,1,0,0,0,1|2,0,0]=4 3367 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,1,0,0,0,1|2,0,0]=4 3368 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,1,0,0,0,1|2,0,0]=4 3369 B13R1.135 CSC(C)C(=O)Cc1ccccc1 1458a_100000149566_100015291786 [0,1,0,0,0,1|2,0,0]=4 3370 B13R1.135 CSC(C)C(=O)Nc1ccccc1 11a_100000106764_100000149566 [0,1,0,0,0,1|2,0,0]=4 3371 B13R1.135 CSC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000149566 [0,1,0,0,0,1|2,0,0]=4 3372 B13R1.135 CSC(C)C(=O)Nc1ccccc1 22a_100000106764_100000149566 [0,1,0,0,0,1|2,0,0]=4 3373 B13R1.135 CSC(C)C(=O)Nc1ccccc1 527a_100000106764_100000149566 [0,1,0,0,0,1|2,0,0]=4 3374 B13R1.135 CSC(C)C(=O)Nc1ccccc1 62a_100000183986_200000210301 [0,1,0,0,0,1|2,0,0]=4 3375 B13R1.135 CSC(C)C(=O)Nc1ccccc1 62a_200000210301_100000183986 [0,1,0,0,0,1|2,0,0]=4 3376 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,1,0,0,0,1|2,0,0]=4 3377 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,1,0,0,0,1|2,0,0]=4 3378 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [0,1,0,0,0,1|2,0,0]=4 3379 B13R1.348 CC(=CC(=O)Cc1ccccc1)C 1458a_100000211388_100015291786 [0,1,0,0,0,1|1,0,1]=4 3380 B13R1.348 CC(=CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100015291786 [0,1,0,0,0,1|1,0,1]=4 3381 B13R1.348 CC(=CC(=O)Cc1ccccc1)I 1458a_100025716642_100015291786 [0,1,0,0,0,1|1,0,1]=4 3382 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,1,0,0,0,1|1,0,1]=4 3383 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,1,0,0,0,1|1,0,1]=4 3384 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,1,0,0,0,1|1,0,1]=4 3385 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,1,0,0,0,1|1,0,1]=4 3386 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,1,0,0,0,1|1,0,1]=4 3387 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,1,0,0,0,1|1,0,1]=4 3388 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,1,0,0,0,1|1,0,1]=4 3389 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,1,0,0,0,1|1,0,1]=4 3390 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,1|1,0,1]=4 3391 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,1,0,0,0,1|1,0,1]=4 3392 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,0,0,0,1|1,0,1]=4 3393 B13R1.348 CC(C)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000210624 [0,1,0,0,0,1|2,0,0]=4 3394 B13R1.348 CC(C)CC(=O)Cc1ccccc1 1458a_100000210554_100015291786 [0,1,0,0,0,1|1,0,0]=3 3395 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000210554_100000721315 [0,1,0,0,0,1|2,0,0]=4 3396 B13R1.348 CC(C)CC(=O)Cc1ccccn1 1458a_100000233486_100000210624 [0,1,0,0,0,1|2,0,0]=4 3397 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000210554_100000733263 [0,1,0,0,0,1|2,0,0]=4 3398 B13R1.348 CC(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000210624 [0,1,0,0,0,1|2,0,0]=4 3399 B13R1.348 CC(C)CC(=O)Cc1ccncc1 1458a_100000210554_100000705612 [0,1,0,0,0,1|2,0,0]=4 3400 B13R1.348 CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000210554 [0,1,0,0,0,1|1,0,0]=3 3401 B13R1.348 CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000210554 [0,1,0,0,0,1|1,0,0]=3 3402 B13R1.348 CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000210554 [0,1,0,0,0,1|1,0,0]=3 3403 B13R1.348 CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000210554 [0,1,0,0,0,1|1,0,0]=3 3404 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 11a_100138425928_200000086051 [0,1,0,0,0,1|2,0,0]=4 3405 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 240690a_100138425928_200000086051 [0,1,0,0,0,1|2,0,0]=4 3406 B13R1.348 CC(C)NC(=O)C[n+]1ccccc1 527a_100138425928_200000086051 [0,1,0,0,0,1|2,0,0]=4 3407 B13R1.348 CC(C)NC(=O)Cc1ccccn1 11a_100138425928_100000233486 [0,1,0,0,0,1|2,0,0]=4 3408 B13R1.348 CC(C)NC(=O)Cc1cccnc1 11a_100138425928_100000737805 [0,1,0,0,0,1|2,0,0]=4 3409 B13R1.348 CC(C)NC(=O)Cc1cccnc1 240690a_100138425928_100000737805 [0,1,0,0,0,1|2,0,0]=4 3410 B13R1.348 CC(C)NC(=O)Cc1cccnc1 527a_100138425928_100000737805 [0,1,0,0,0,1|2,0,0]=4 3411 B13R1.348 CC(C)NC(=O)Cc1ccncc1 11a_100138425928_100011201483 [0,1,0,0,0,1|2,0,0]=4 3412 B13R1.348 CC(C)NC(=O)Cc1ccncc1 240690a_100138425928_100011201483 [0,1,0,0,0,1|2,0,0]=4 3413 B13R1.348 CC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100138425928 [0,1,0,0,0,1|1,0,0]=3 3414 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,1,0,0,0,1|1,0,1]=4 3415 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,1,0,0,0,1|1,0,1]=4 3416 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,1,0,0,0,1|1,0,1]=4 3417 B13R1.348 CC(O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011218427 [0,1,0,0,0,1|2,0,0]=4 3418 B13R1.348 CC(O)CC(=O)Cc1ccccn1 1458a_100000233486_100011218427 [0,1,0,0,0,1|2,0,0]=4 3419 B13R1.348 CC(O)CC(=O)Cc1cccnc1 1458a_100000737805_100011218427 [0,1,0,0,0,1|2,0,0]=4 3420 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [0,1,0,0,0,1|2,0,0]=4 3421 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [0,1,0,0,0,1|2,0,0]=4 3422 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [0,1,0,0,0,1|2,0,0]=4 3423 B13R1.348 CN(C)CC(=O)Nc1ccccc1 11a_100000106764_100000750896 [0,1,0,0,0,1|2,0,0]=4 3424 B13R1.348 CN(C)CC(=O)Nc1ccccc1 2230a_100102631434_100000182850 [0,1,0,0,0,1|2,0,0]=4 3425 B13R1.348 CN(C)CC(=O)Nc1ccccc1 22a_100000106764_100000750896 [0,1,0,0,0,1|2,0,0]=4 3426 B13R1.348 CN(C)CC(=O)Nc1ccccc1 269982a_100102631434_100000182850 [0,1,0,0,0,1|2,0,0]=4 3427 B13R1.348 CN(C)CC(=O)Nc1ccccc1 527a_100000106764_100000750896 [0,1,0,0,0,1|2,0,0]=4 3428 B13R1.348 CN(C)CC(=O)Oc1ccccc1 2230a_100102631434_100009813826 [0,1,0,0,0,1|2,0,0]=4 3429 B13R1.348 CN(C)CC(=O)Oc1ccccc1 269982a_100102631434_100009813826 [0,1,0,0,0,1|2,0,0]=4 3430 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,1,0,0,0,1|1,0,0]=3 3431 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccn1 1458a_100011933948_100000721315 [0,1,0,0,0,1|2,0,0]=4 3432 B13R1.348 C[C@@H](O)CC(=O)Cc1cccnc1 1458a_100011933948_100000733263 [0,1,0,0,0,1|2,0,0]=4 3433 B13R1.348 C[C@@H](O)CC(=O)Cc1ccncc1 1458a_100011933948_100000705612 [0,1,0,0,0,1|2,0,0]=4 3434 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,1,0,0,0,1|1,0,0]=3 3435 B13R1.348 C[S+](C)CC(=O)Cc1ccccc1 1458a_200159257847_100015291786 [0,1,0,0,0,1|2,0,0]=4 3436 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 11a_100000106764_200159257847 [0,1,0,0,0,1|2,0,0]=4 3437 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 1626a_100000106764_200159257847 [0,1,0,0,0,1|2,0,0]=4 3438 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 22a_100000106764_200159257847 [0,1,0,0,0,1|2,0,0]=4 3439 B13R1.348 C[S+](C)CC(=O)Nc1ccccc1 527a_100000106764_200159257847 [0,1,0,0,0,1|2,0,0]=4 3440 B13R1.470 CC#CC(=O)Cc1ccccc1Br 1458a_100000763181_100000184730 [0,1,0,0,0,1|1,0,1]=4 3441 B13R1.470 CC#CC(=O)Cc1ccccc1C 1458a_100000763181_100000211839 [0,1,0,0,0,1|1,0,1]=4 3442 B13R1.470 CC#CC(=O)Cc1ccccc1Cl 1458a_100000763181_100000187162 [0,1,0,0,0,1|1,0,1]=4 3443 B13R1.470 CC#CC(=O)Cc1ccccc1F 1458a_100000763181_100000187165 [0,1,0,0,0,1|1,0,1]=4 3444 B13R1.470 CC#CC(=O)Cc1ccccc1I 1458a_100000763181_100011216222 [0,1,0,0,0,1|1,0,1]=4 3445 B13R1.470 CC#CC(=O)Nc1ccccc1C 22a_100015192222_100000763181 [0,1,0,0,0,1|1,0,1]=4 3446 B13R1.470 CC#CC(=O)Nc1ccccc1Cl 22a_100000185783_100000763181 [0,1,0,0,0,1|1,0,1]=4 3447 B13R1.470 CC#CC(=O)Nc1ccccc1F 22a_100000210422_100000763181 [0,1,0,0,0,1|1,0,1]=4 3448 B13R1.470 CC#CC(=O)Nc1ccccc1O 22a_100000185747_100000763181 [0,1,0,0,0,1|1,0,1]=4 3449 B13R1.470 CC=CC(=O)Cc1ccccc1Br 1458a_100000210699_100000184730 [0,1,0,0,0,1|1,0,1]=4 3450 B13R1.470 CC=CC(=O)Cc1ccccc1C 1458a_100000210699_100000211839 [0,1,0,0,0,1|1,0,1]=4 3451 B13R1.470 CC=CC(=O)Cc1ccccc1Cl 1458a_100000210699_100000187162 [0,1,0,0,0,1|1,0,1]=4 3452 B13R1.470 CC=CC(=O)Cc1ccccc1F 1458a_100000210699_100000187165 [0,1,0,0,0,1|1,0,1]=4 3453 B13R1.470 CC=CC(=O)Cc1ccccc1I 1458a_100000210699_100011216222 [0,1,0,0,0,1|1,0,1]=4 3454 B13R1.470 CC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000210699 [0,1,0,0,0,1|1,0,1]=4 3455 B13R1.470 CC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000210699 [0,1,0,0,0,1|1,0,1]=4 3456 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,1,0,0,0,1|1,0,1]=4 3457 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,1,0,0,0,1|1,0,1]=4 3458 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,1,0,0,0,1|1,0,1]=4 3459 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000210699 [0,1,0,0,0,1|1,0,1]=4 3460 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210699 [0,1,0,0,0,1|1,0,1]=4 3461 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000210699 [0,1,0,0,0,1|1,0,1]=4 3462 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,1,0,0,0,1|1,0,1]=4 3463 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,1,0,0,0,1|1,0,1]=4 3464 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,1,0,0,0,1|1,0,1]=4 3465 B13R1.470 CC=CC(=O)Nc1ccccc1I 11a_100000210053_100000210699 [0,1,0,0,0,1|1,0,1]=4 3466 B13R1.470 CC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000210699 [0,1,0,0,0,1|1,0,1]=4 3467 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,1,0,0,0,1|1,0,1]=4 3468 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000211992_100000184730 [0,1,0,0,0,1|1,0,0]=3 3469 B13R1.470 CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210303 [0,1,0,0,0,1|1,0,0]=3 3470 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000211992_100000211839 [0,1,0,0,0,1|1,0,0]=3 3471 B13R1.470 CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210303 [0,1,0,0,0,1|1,0,0]=3 3472 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210303 [0,1,0,0,0,1|1,0,0]=3 3473 B13R1.470 CCCC(=O)Cc1ccccc1Cl 1458a_100000211992_100000187162 [0,1,0,0,0,1|1,0,0]=3 3474 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000211992_100000187165 [0,1,0,0,0,1|1,0,0]=3 3475 B13R1.470 CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210303 [0,1,0,0,0,1|1,0,0]=3 3476 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210303 [0,1,0,0,0,1|1,0,0]=3 3477 B13R1.470 CCCC(=O)Cc1ccccc1I 1458a_100000211992_100011216222 [0,1,0,0,0,1|1,0,0]=3 3478 B13R1.470 CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210303 [0,1,0,0,0,1|1,0,0]=3 3479 B13R1.470 CCCC(=O)Cc1cccnc1Br 1458a_100000211992_100010140945 [0,1,0,0,0,1|2,0,0]=4 3480 B13R1.470 CCCC(=O)Cc1cccnc1C 1458a_100000211992_100000732876 [0,1,0,0,0,1|2,0,0]=4 3481 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210303 [0,1,0,0,0,1|2,0,0]=4 3482 B13R1.470 CCCC(=O)Cc1cccnc1Cl 1458a_100000211992_100000045678 [0,1,0,0,0,1|2,0,0]=4 3483 B13R1.470 CCCC(=O)Cc1cccnc1F 1458a_100000211992_100000099810 [0,1,0,0,0,1|2,0,0]=4 3484 B13R1.470 CCCC(=O)Cc1ccncc1C 1458a_100000211992_100020672808 [0,1,0,0,0,1|2,0,0]=4 3485 B13R1.470 CCCC(=O)Cc1ccncc1Cl 1458a_100000211992_100000763264 [0,1,0,0,0,1|2,0,0]=4 3486 B13R1.470 CCCC(=O)Cc1cnccc1C 1458a_100000211992_100000690890 [0,1,0,0,0,1|2,0,0]=4 3487 B13R1.470 CCCC(=O)Cc1ncccc1Br 1458a_100000211992_100025702911 [0,1,0,0,0,1|2,0,0]=4 3488 B13R1.470 CCCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210303 [0,1,0,0,0,1|2,0,0]=4 3489 B13R1.470 CCCC(=O)Cc1ncccc1C 1458a_100000211992_100000696600 [0,1,0,0,0,1|2,0,0]=4 3490 B13R1.470 CCCC(=O)Cc1ncccc1C 1458a_200000722269_100000210303 [0,1,0,0,0,1|2,0,0]=4 3491 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100000211992_100000099807 [0,1,0,0,0,1|2,0,0]=4 3492 B13R1.470 CCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210303 [0,1,0,0,0,1|2,0,0]=4 3493 B13R1.470 CCCC(=O)Cc1ncccc1F 1458a_100000211992_100000104219 [0,1,0,0,0,1|2,0,0]=4 3494 B13R1.470 CCCC(=O)Cc1ncccc1O 1458a_100000211992_200020655725 [0,1,0,0,0,1|2,0,0]=4 3495 B13R1.470 CCCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210303 [0,1,0,0,0,1|2,0,0]=4 3496 B13R1.470 CCCC(=O)Nc1ccccc1Br 11a_100000210017_100000211992 [0,1,0,0,0,1|1,0,0]=3 3497 B13R1.470 CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000211992 [0,1,0,0,0,1|1,0,0]=3 3498 B13R1.470 CCCC(=O)Nc1ccccc1C 11a_100015192222_100000211992 [0,1,0,0,0,1|1,0,0]=3 3499 B13R1.470 CCCC(=O)Nc1ccccc1C 1626a_100015192222_100000211992 [0,1,0,0,0,1|1,0,0]=3 3500 B13R1.470 CCCC(=O)Nc1ccccc1C 22a_100015192222_100000211992 [0,1,0,0,0,1|1,0,0]=3 3501 B13R1.470 CCCC(=O)Nc1ccccc1C 527a_100015192222_100000211992 [0,1,0,0,0,1|1,0,0]=3 3502 B13R1.470 CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211992 [0,1,0,0,0,1|1,0,0]=3 3503 B13R1.470 CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211992 [0,1,0,0,0,1|1,0,0]=3 3504 B13R1.470 CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211992 [0,1,0,0,0,1|1,0,0]=3 3505 B13R1.470 CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211992 [0,1,0,0,0,1|1,0,0]=3 3506 B13R1.470 CCCC(=O)Nc1ccccc1F 11a_100000210422_100000211992 [0,1,0,0,0,1|1,0,0]=3 3507 B13R1.470 CCCC(=O)Nc1ccccc1F 1626a_100000210422_100000211992 [0,1,0,0,0,1|1,0,0]=3 3508 B13R1.470 CCCC(=O)Nc1ccccc1F 22a_100000210422_100000211992 [0,1,0,0,0,1|1,0,0]=3 3509 B13R1.470 CCCC(=O)Nc1ccccc1F 527a_100000210422_100000211992 [0,1,0,0,0,1|1,0,0]=3 3510 B13R1.470 CCCC(=O)Nc1ccccc1I 11a_100000210053_100000211992 [0,1,0,0,0,1|1,0,0]=3 3511 B13R1.470 CCCC(=O)Nc1ccccc1I 1626a_100000210053_100000211992 [0,1,0,0,0,1|1,0,0]=3 3512 B13R1.470 CCCC(=O)Nc1ccccc1O 22a_100000185747_100000211992 [0,1,0,0,0,1|1,0,0]=3 3513 B13R1.470 CCCC(=O)Nc1ccccc1O 271570a_203496583355_100000153530 [0,1,0,0,0,1|1,0,0]=3 3514 B13R1.470 CCCC(=O)Nc1ccccc1O 527a_100000185747_100000211992 [0,1,0,0,0,1|1,0,0]=3 3515 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [0,1,0,0,0,1|1,0,0]=3 3516 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [0,1,0,0,0,1|1,0,0]=3 3517 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [0,1,0,0,0,1|1,0,0]=3 3518 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,1,0,0,0,1|1,0,0]=3 3519 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,1,0,0,0,1|1,0,0]=3 3520 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,1,0,0,0,1|1,0,0]=3 3521 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [0,1,0,0,0,1|1,0,0]=3 3522 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [0,1,0,0,0,1|1,0,0]=3 3523 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [0,1,0,0,0,1|1,0,0]=3 3524 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,1,0,0,0,1|1,0,0]=3 3525 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,1,0,0,0,1|1,0,0]=3 3526 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,1,0,0,0,1|1,0,0]=3 3527 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [0,1,0,0,0,1|1,0,0]=3 3528 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [0,1,0,0,0,1|1,0,0]=3 3529 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [0,1,0,0,0,1|1,0,0]=3 3530 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [0,1,0,0,0,1|1,0,0]=3 3531 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [0,1,0,0,0,1|1,0,0]=3 3532 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [0,1,0,0,0,1|1,0,0]=3 3533 B13R1.470 CCNC(=O)Cc1cccnc1Cl 11a_100015525214_100000093521 [0,1,0,0,0,1|2,0,0]=4 3534 B13R1.470 CCNC(=O)Cc1cccnc1Cl 240690a_100015525214_100000093521 [0,1,0,0,0,1|2,0,0]=4 3535 B13R1.470 CCNC(=O)Cc1cccnc1Cl 527a_100015525214_100000093521 [0,1,0,0,0,1|2,0,0]=4 3536 B13R1.470 CCNC(=O)Cc1ncccc1Br 11a_100015525214_200012357574 [0,1,0,0,0,1|2,0,0]=4 3537 B13R1.470 CCNC(=O)Cc1ncccc1Br 240690a_100015525214_200012357574 [0,1,0,0,0,1|2,0,0]=4 3538 B13R1.470 CCNC(=O)Cc1ncccc1C 11a_100015525214_200000722269 [0,1,0,0,0,1|2,0,0]=4 3539 B13R1.470 CCNC(=O)Cc1ncccc1C 240690a_100015525214_200000722269 [0,1,0,0,0,1|2,0,0]=4 3540 B13R1.470 CCNC(=O)Cc1ncccc1Cl 11a_100015525214_100011998755 [0,1,0,0,0,1|2,0,0]=4 3541 B13R1.470 CCNC(=O)Cc1ncccc1Cl 240690a_100015525214_100011998755 [0,1,0,0,0,1|2,0,0]=4 3542 B13R1.470 CCNC(=O)Cc1ncccc1Cl 527a_100015525214_100011998755 [0,1,0,0,0,1|2,0,0]=4 3543 B13R1.470 CCNC(=O)Cn1ccccc1=O 240690a_100015525214_100000189665 [0,1,0,0,0,1|2,0,0]=4 3544 B13R1.470 CCNC(=O)Cn1ccccc1=O 527a_100015525214_100000189665 [0,1,0,0,0,1|2,0,0]=4 3545 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [0,1,0,0,0,1|1,0,0]=3 3546 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [0,1,0,0,0,1|1,0,0]=3 3547 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [0,1,0,0,0,1|1,0,0]=3 3548 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [0,1,0,0,0,1|1,0,0]=3 3549 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [0,1,0,0,0,1|1,0,0]=3 3550 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [0,1,0,0,0,1|1,0,0]=3 3551 B13R1.470 CCOC(=O)Cc1ccccc1O 271570a_203496583355_100011218996 [0,1,0,0,0,1|0,0,0]=2 3552 B13R1.470 CCOC(=O)Cc1cccnc1O 271570a_203496583355_100009886914 [0,1,0,0,0,1|1,0,0]=3 3553 B13R1.470 CCOC(=O)Cc1ccncc1O 271570a_203496583355_100010089795 [0,1,0,0,0,1|1,0,0]=3 3554 B13R1.470 CCOC(=O)Cc1ncccc1O 271570a_203496583355_100016306959 [0,1,0,0,0,1|1,0,0]=3 3555 B13R1.470 CCOC(=O)Cc1ncncc1O 271570a_203496583355_100010009764 [0,1,0,0,0,1|2,0,0]=4 3556 B13R1.470 CNCC(=O)Cc1ccccc1Br 2230a_106832991635_100000700504 [0,1,0,0,0,1|2,0,0]=4 3557 B13R1.470 CNCC(=O)Cc1ccccc1Br 34a_100102657272_100000700504 [0,1,0,0,0,1|2,0,0]=4 3558 B13R1.470 CNCC(=O)Cc1ccccc1Br 7a_106832991635_100000700504 [0,1,0,0,0,1|2,0,0]=4 3559 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,1,0,0,0,1|2,0,0]=4 3560 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,1,0,0,0,1|2,0,0]=4 3561 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_100000683505_200000210301 [0,1,0,0,0,1|2,0,0]=4 3562 B13R1.470 CNCC(=O)Nc1ccccc1Br 2230a_106832991635_100000182372 [0,1,0,0,0,1|2,0,0]=4 3563 B13R1.470 CNCC(=O)Nc1ccccc1Br 7a_106832991635_100000182372 [0,1,0,0,0,1|2,0,0]=4 3564 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_100015186652_200000210301 [0,1,0,0,0,1|2,0,0]=4 3565 B13R1.470 CNCC(=O)Nc1ccccc1C 2230a_106832991635_100000183529 [0,1,0,0,0,1|2,0,0]=4 3566 B13R1.470 CNCC(=O)Nc1ccccc1C 34a_100102657272_100000183529 [0,1,0,0,0,1|2,0,0]=4 3567 B13R1.470 CNCC(=O)Nc1ccccc1C 7a_106832991635_100000183529 [0,1,0,0,0,1|2,0,0]=4 3568 B13R1.470 CNCC(=O)Nc1ccccc1Cl 2230a_106832991635_100000182448 [0,1,0,0,0,1|2,0,0]=4 3569 B13R1.470 CNCC(=O)Nc1ccccc1Cl 34a_100102657272_100000182448 [0,1,0,0,0,1|2,0,0]=4 3570 B13R1.470 CNCC(=O)Nc1ccccc1Cl 7a_106832991635_100000182448 [0,1,0,0,0,1|2,0,0]=4 3571 B13R1.470 CNCC(=O)Nc1ccccc1F 2230a_106832991635_100000182988 [0,1,0,0,0,1|2,0,0]=4 3572 B13R1.470 CNCC(=O)Nc1ccccc1F 34a_100102657272_100000243840 [0,1,0,0,0,1|2,0,0]=4 3573 B13R1.470 CNCC(=O)Nc1ccccc1F 7a_106832991635_100000182988 [0,1,0,0,0,1|2,0,0]=4 3574 B13R1.470 CNCC(=O)Nc1ccccc1I 2230a_106832991635_100000180142 [0,1,0,0,0,1|2,0,0]=4 3575 B13R1.470 CNCC(=O)Nc1ccccc1I 34a_100102657272_100000180142 [0,1,0,0,0,1|2,0,0]=4 3576 B13R1.470 CNCC(=O)Nc1ccccc1I 7a_106832991635_100000180142 [0,1,0,0,0,1|2,0,0]=4 3577 B13R1.470 CNCC(=O)Nc1ccccc1O 7a_106832991635_100000014494 [0,1,0,0,0,1|2,0,0]=4 3578 B13R1.470 CNNC(=O)Cc1ccccc1Br 22a_100016993582_100000751119 [0,1,0,0,0,1|2,0,0]=4 3579 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [0,1,0,0,0,1|2,0,0]=4 3580 B13R1.470 CNNC(=O)Cc1ccccc1Cl 22a_100016993582_100000183793 [0,1,0,0,0,1|2,0,0]=4 3581 B13R1.470 CNNC(=O)Cc1ccccc1F 22a_100016993582_100000212012 [0,1,0,0,0,1|2,0,0]=4 3582 B13R1.470 CNNC(=O)Cc1ccccc1I 22a_100016993582_100000036491 [0,1,0,0,0,1|2,0,0]=4 3583 B13R1.470 CNNC(=O)Cc1ccccc1O 22a_100016993582_100000743006 [0,1,0,0,0,1|2,0,0]=4 3584 B13R1.470 COCC(=O)Cc1ccccc1Br 1458a_100000210968_100000184730 [0,1,0,0,0,1|2,0,0]=4 3585 B13R1.470 COCC(=O)Cc1ccccc1Br 34a_100138415774_100000700504 [0,1,0,0,0,1|2,0,0]=4 3586 B13R1.470 COCC(=O)Cc1ccccc1C 1458a_100000210968_100000211839 [0,1,0,0,0,1|2,0,0]=4 3587 B13R1.470 COCC(=O)Cc1ccccc1Cl 1458a_100000210968_100000187162 [0,1,0,0,0,1|2,0,0]=4 3588 B13R1.470 COCC(=O)Cc1ccccc1F 1458a_100000210968_100000187165 [0,1,0,0,0,1|2,0,0]=4 3589 B13R1.470 COCC(=O)Cc1ccccc1I 1458a_100000210968_100011216222 [0,1,0,0,0,1|2,0,0]=4 3590 B13R1.470 COCC(=O)Nc1ccccc1Br 11a_100000210017_100000210968 [0,1,0,0,0,1|2,0,0]=4 3591 B13R1.470 COCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210968 [0,1,0,0,0,1|2,0,0]=4 3592 B13R1.470 COCC(=O)Nc1ccccc1C 11a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 3593 B13R1.470 COCC(=O)Nc1ccccc1C 1626a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 3594 B13R1.470 COCC(=O)Nc1ccccc1C 22a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 3595 B13R1.470 COCC(=O)Nc1ccccc1C 34a_100138415774_100000183529 [0,1,0,0,0,1|2,0,0]=4 3596 B13R1.470 COCC(=O)Nc1ccccc1C 527a_100015192222_100000210968 [0,1,0,0,0,1|2,0,0]=4 3597 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 3598 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 3599 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 3600 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,1,0,0,0,1|2,0,0]=4 3601 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,1,0,0,0,1|2,0,0]=4 3602 B13R1.470 COCC(=O)Nc1ccccc1F 11a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 3603 B13R1.470 COCC(=O)Nc1ccccc1F 1626a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 3604 B13R1.470 COCC(=O)Nc1ccccc1F 22a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 3605 B13R1.470 COCC(=O)Nc1ccccc1F 34a_100138415774_100000243840 [0,1,0,0,0,1|2,0,0]=4 3606 B13R1.470 COCC(=O)Nc1ccccc1F 527a_100000210422_100000210968 [0,1,0,0,0,1|2,0,0]=4 3607 B13R1.470 COCC(=O)Nc1ccccc1I 11a_100000210053_100000210968 [0,1,0,0,0,1|2,0,0]=4 3608 B13R1.470 COCC(=O)Nc1ccccc1I 1626a_100000210053_100000210968 [0,1,0,0,0,1|2,0,0]=4 3609 B13R1.470 COCC(=O)Nc1ccccc1I 34a_100138415774_100000180142 [0,1,0,0,0,1|2,0,0]=4 3610 B13R1.470 COCC(=O)Nc1ccccc1O 22a_100000185747_100000210968 [0,1,0,0,0,1|2,0,0]=4 3611 B13R1.470 COCC(=O)Nc1ccccc1O 271570a_203496583355_200000158336 [0,1,0,0,0,1|2,0,0]=4 3612 B13R1.470 COCC(=O)Nc1ccccc1O 527a_100000185747_100000210968 [0,1,0,0,0,1|2,0,0]=4 3613 B13R1.470 CSCC(=O)Cc1ccccc1Br 1458a_100000184570_100000184730 [0,1,0,0,0,1|2,0,0]=4 3614 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_100000700504_200000210301 [0,1,0,0,0,1|2,0,0]=4 3615 B13R1.470 CSCC(=O)Cc1ccccc1Br 62a_200000210301_100000700504 [0,1,0,0,0,1|2,0,0]=4 3616 B13R1.470 CSCC(=O)Cc1ccccc1C 1458a_100000184570_100000211839 [0,1,0,0,0,1|2,0,0]=4 3617 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_100011223134_200000210301 [0,1,0,0,0,1|2,0,0]=4 3618 B13R1.470 CSCC(=O)Cc1ccccc1C 62a_200000210301_100011223134 [0,1,0,0,0,1|2,0,0]=4 3619 B13R1.470 CSCC(=O)Cc1ccccc1Cl 1458a_100000184570_100000187162 [0,1,0,0,0,1|2,0,0]=4 3620 B13R1.470 CSCC(=O)Cc1ccccc1F 1458a_100000184570_100000187165 [0,1,0,0,0,1|2,0,0]=4 3621 B13R1.470 CSCC(=O)Cc1ccccc1I 1458a_100000184570_100011216222 [0,1,0,0,0,1|2,0,0]=4 3622 B13R1.470 CSCC(=O)Nc1ccccc1Br 11a_100000210017_100000184570 [0,1,0,0,0,1|2,0,0]=4 3623 B13R1.470 CSCC(=O)Nc1ccccc1Br 1626a_100000210017_100000184570 [0,1,0,0,0,1|2,0,0]=4 3624 B13R1.470 CSCC(=O)Nc1ccccc1Br 62a_100000182372_200000210301 [0,1,0,0,0,1|2,0,0]=4 3625 B13R1.470 CSCC(=O)Nc1ccccc1Br 62a_200000210301_100000182372 [0,1,0,0,0,1|2,0,0]=4 3626 B13R1.470 CSCC(=O)Nc1ccccc1C 11a_100015192222_100000184570 [0,1,0,0,0,1|2,0,0]=4 3627 B13R1.470 CSCC(=O)Nc1ccccc1C 1626a_100015192222_100000184570 [0,1,0,0,0,1|2,0,0]=4 3628 B13R1.470 CSCC(=O)Nc1ccccc1C 22a_100015192222_100000184570 [0,1,0,0,0,1|2,0,0]=4 3629 B13R1.470 CSCC(=O)Nc1ccccc1C 527a_100015192222_100000184570 [0,1,0,0,0,1|2,0,0]=4 3630 B13R1.470 CSCC(=O)Nc1ccccc1C 62a_200000210301_100000183529 [0,1,0,0,0,1|2,0,0]=4 3631 B13R1.470 CSCC(=O)Nc1ccccc1Cl 11a_100000185783_100000184570 [0,1,0,0,0,1|2,0,0]=4 3632 B13R1.470 CSCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000184570 [0,1,0,0,0,1|2,0,0]=4 3633 B13R1.470 CSCC(=O)Nc1ccccc1Cl 22a_100000185783_100000184570 [0,1,0,0,0,1|2,0,0]=4 3634 B13R1.470 CSCC(=O)Nc1ccccc1Cl 527a_100000185783_100000184570 [0,1,0,0,0,1|2,0,0]=4 3635 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200000210301_100000182448 [0,1,0,0,0,1|2,0,0]=4 3636 B13R1.470 CSCC(=O)Nc1ccccc1Cl 62a_200011202291_200000210301 [0,1,0,0,0,1|2,0,0]=4 3637 B13R1.470 CSCC(=O)Nc1ccccc1F 11a_100000210422_100000184570 [0,1,0,0,0,1|2,0,0]=4 3638 B13R1.470 CSCC(=O)Nc1ccccc1F 1626a_100000210422_100000184570 [0,1,0,0,0,1|2,0,0]=4 3639 B13R1.470 CSCC(=O)Nc1ccccc1F 22a_100000210422_100000184570 [0,1,0,0,0,1|2,0,0]=4 3640 B13R1.470 CSCC(=O)Nc1ccccc1F 527a_100000210422_100000184570 [0,1,0,0,0,1|2,0,0]=4 3641 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_100000182988_200000210301 [0,1,0,0,0,1|2,0,0]=4 3642 B13R1.470 CSCC(=O)Nc1ccccc1F 62a_200000210301_100000182988 [0,1,0,0,0,1|2,0,0]=4 3643 B13R1.470 CSCC(=O)Nc1ccccc1I 11a_100000210053_100000184570 [0,1,0,0,0,1|2,0,0]=4 3644 B13R1.470 CSCC(=O)Nc1ccccc1I 1626a_100000210053_100000184570 [0,1,0,0,0,1|2,0,0]=4 3645 B13R1.470 CSCC(=O)Nc1ccccc1I 62a_100000180142_200000210301 [0,1,0,0,0,1|2,0,0]=4 3646 B13R1.470 CSCC(=O)Nc1ccccc1I 62a_200000210301_100000180142 [0,1,0,0,0,1|2,0,0]=4 3647 B13R1.470 CSCC(=O)Nc1ccccc1O 22a_100000185747_100000184570 [0,1,0,0,0,1|2,0,0]=4 3648 B13R1.470 CSCC(=O)Nc1ccccc1O 527a_100000185747_100000184570 [0,1,0,0,0,1|2,0,0]=4 3649 B13R1.470 CSCC(=O)Nc1ccccc1O 62a_200000210301_100000014494 [0,1,0,0,0,1|2,0,0]=4 3650 B13R1.470 Cc1ccccc1CC(=O)CCF 1458a_100000212180_100011217306 [0,1,0,0,0,1|2,0,0]=4 3651 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100000212180_100000211926 [0,1,0,0,0,1|2,0,0]=4 3652 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100011216618_100000211839 [0,1,0,0,0,1|2,0,0]=4 3653 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_100011223134_200025704644 [0,1,0,0,0,1|2,0,0]=4 3654 B13R1.470 Cc1ccccc1CC(=O)CS[13CH3] 62a_200025704644_100011223134 [0,1,0,0,0,1|2,0,0]=4 3655 B13R1.470 Cc1ccccc1NC(=O)CCO 22a_100015192222_100011216618 [0,1,0,0,0,1|2,0,0]=4 3656 B13R1.470 Cc1ccccc1NC(=O)CN[13CH3] 2230a_100015186652_200025704644 [0,1,0,0,0,1|2,0,0]=4 3657 B13R1.470 Cc1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000183529 [0,1,0,0,0,1|2,0,0]=4 3658 B13R1.470 O=C(CCF)Cc1ccccc1Br 1458a_100000751119_100011217306 [0,1,0,0,0,1|2,0,0]=4 3659 B13R1.470 O=C(CCF)Cc1ccccc1Cl 1458a_100000183793_100011217306 [0,1,0,0,0,1|2,0,0]=4 3660 B13R1.470 O=C(CCF)Cc1ccccc1F 1458a_100000212012_100011217306 [0,1,0,0,0,1|2,0,0]=4 3661 B13R1.470 O=C(CCF)Cc1ccccc1I 1458a_100000036491_100011217306 [0,1,0,0,0,1|2,0,0]=4 3662 B13R1.470 O=C(CCF)Cc1ccccc1O 1458a_100000743006_100011217306 [0,1,0,0,0,1|2,0,0]=4 3663 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100000751119_100000211926 [0,1,0,0,0,1|2,0,0]=4 3664 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100011216618_100000184730 [0,1,0,0,0,1|2,0,0]=4 3665 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100000183793_100000211926 [0,1,0,0,0,1|2,0,0]=4 3666 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100011216618_100000187162 [0,1,0,0,0,1|2,0,0]=4 3667 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100000212012_100000211926 [0,1,0,0,0,1|2,0,0]=4 3668 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100011216618_100000187165 [0,1,0,0,0,1|2,0,0]=4 3669 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100000036491_100000211926 [0,1,0,0,0,1|2,0,0]=4 3670 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100011216618_100011216222 [0,1,0,0,0,1|2,0,0]=4 3671 B13R1.470 O=C(CCO)Cc1ccccc1O 1458a_100000743006_100000211926 [0,1,0,0,0,1|2,0,0]=4 3672 B13R1.470 O=C(CCO)Nc1ccccc1Cl 22a_100000185783_100011216618 [0,1,0,0,0,1|2,0,0]=4 3673 B13R1.470 O=C(CCO)Nc1ccccc1F 22a_100000210422_100011216618 [0,1,0,0,0,1|2,0,0]=4 3674 B13R1.470 O=C(CCO)Nc1ccccc1O 22a_100000185747_100011216618 [0,1,0,0,0,1|2,0,0]=4 3675 B13R1.470 [13CH3]NCC(=O)Nc1ccccc1Br 2230a_100000683505_200025704644 [0,1,0,0,0,1|2,0,0]=4 3676 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_100000700504_200025704644 [0,1,0,0,0,1|2,0,0]=4 3677 B13R1.470 [13CH3]SCC(=O)Cc1ccccc1Br 62a_200025704644_100000700504 [0,1,0,0,0,1|2,0,0]=4 3678 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Br 62a_100000182372_200025704644 [0,1,0,0,0,1|2,0,0]=4 3679 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Br 62a_200025704644_100000182372 [0,1,0,0,0,1|2,0,0]=4 3680 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200011202291_200025704644 [0,1,0,0,0,1|2,0,0]=4 3681 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1Cl 62a_200025704644_100000182448 [0,1,0,0,0,1|2,0,0]=4 3682 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_100000182988_200025704644 [0,1,0,0,0,1|2,0,0]=4 3683 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1F 62a_200025704644_100000182988 [0,1,0,0,0,1|2,0,0]=4 3684 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1I 62a_100000180142_200025704644 [0,1,0,0,0,1|2,0,0]=4 3685 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1I 62a_200025704644_100000180142 [0,1,0,0,0,1|2,0,0]=4 3686 B13R1.470 [13CH3]SCC(=O)Nc1ccccc1O 62a_200025704644_100000014494 [0,1,0,0,0,1|2,0,0]=4 3687 B13R1.1327 CCCS(=O)(=O)Nc1ccccc1 232682a_100000106764_100000211391 [0,1,0,0,0,1|2,0,0]=4 3688 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 270084a_100015525214_100000211737 [0,1,0,0,0,1|2,0,0]=4 3689 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 274078a_100015525214_100000211737 [0,1,0,0,0,1|2,0,0]=4 3690 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 40a_100015525214_100000235865 [0,1,0,0,0,1|2,0,0]=4 3691 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,1,0,0,0,1|1,0,1]=4 3692 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 34a_100011470666_100000210202 [0,2,0,0,0,0|1,0,1]=4 3693 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 7a_100011470666_100000210202 [0,2,0,0,0,0|1,0,1]=4 3694 B13R1.1 CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210202 [0,2,0,0,0,0|1,0,1]=4 3695 B13R1.1 CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210202 [0,2,0,0,0,0|1,0,1]=4 3696 B13R1.1 CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210202 [0,2,0,0,0,0|1,0,1]=4 3697 B13R1.1 CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210202 [0,2,0,0,0,0|1,0,1]=4 3698 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210202 [0,2,0,0,0,0|1,0,1]=4 3699 B13R1.1 CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210202 [0,2,0,0,0,0|1,0,1]=4 3700 B13R1.1 CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210202 [0,2,0,0,0,0|1,0,1]=4 3701 B13R1.1 CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210202 [0,2,0,0,0,0|1,0,1]=4 3702 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210202 [0,2,0,0,0,0|1,0,1]=4 3703 B13R1.1 CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210202 [0,2,0,0,0,0|1,0,1]=4 3704 B13R1.1 CCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210202 [0,2,0,0,0,0|1,0,1]=4 3705 B13R1.1 CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210202 [0,2,0,0,0,0|1,0,1]=4 3706 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_100000210202 [0,2,0,0,0,0|1,0,1]=4 3707 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_100000210202 [0,2,0,0,0,0|1,0,1]=4 3708 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210202 [0,2,0,0,0,0|1,0,1]=4 3709 B13R1.1 CCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210202 [0,2,0,0,0,0|1,0,1]=4 3710 B13R1.2 CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210202 [0,2,0,0,0,0|1,0,1]=4 3711 B13R1.2 CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210202 [0,2,0,0,0,0|1,0,1]=4 3712 B13R1.2 CCOC(CC)c1cccc(c1)F 34a_100011350881_100000210202 [0,2,0,0,0,0|1,0,1]=4 3713 B13R1.2 CCOC(CC)c1cccc(c1)F 7a_100011350881_100000210202 [0,2,0,0,0,0|1,0,1]=4 3714 B13R1.2 CCOC(CC)c1cccc(c1)I 34a_200013212081_100000210202 [0,2,0,0,0,0|1,0,1]=4 3715 B13R1.2 CCOC(CC)c1cccc(c1)I 7a_200013212081_100000210202 [0,2,0,0,0,0|1,0,1]=4 3716 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,2,0,0,0,0|1,0,1]=4 3717 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,2,0,0,0,0|1,0,1]=4 3718 B13R1.26 C#CC(OCCF)c1ccccc1 34a_100011219616_100011217306 [0,2,0,0,0,0|1,0,1]=4 3719 B13R1.26 C#CC(OCCF)c1ccccc1 7a_100011219616_100011217306 [0,2,0,0,0,0|1,0,1]=4 3720 B13R1.26 C#CC(OCCO)c1ccccc1 34a_100011219616_100000211926 [0,2,0,0,0,0|1,0,1]=4 3721 B13R1.26 C#CC(OCCO)c1ccccc1 7a_100011219616_100000211926 [0,2,0,0,0,0|1,0,1]=4 3722 B13R1.26 C#CC(OCSC)c1ccccc1 34a_100011219616_100011218213 [0,2,0,0,0,0|1,0,1]=4 3723 B13R1.26 C=CC(=NNCC)c1ccccc1 4a_100000756455_200000750708 [0,2,0,0,0,0|2,0,0]=4 3724 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,2,0,0,0,0|1,0,1]=4 3725 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,2,0,0,0,0|1,0,1]=4 3726 B13R1.26 C=CC(OCCF)c1ccccc1 34a_100011215659_100011217306 [0,2,0,0,0,0|1,0,1]=4 3727 B13R1.26 C=CC(OCCF)c1ccccc1 7a_100011215659_100011217306 [0,2,0,0,0,0|1,0,1]=4 3728 B13R1.26 C=CC(OCCO)c1ccccc1 34a_100011215659_100000211926 [0,2,0,0,0,0|1,0,1]=4 3729 B13R1.26 C=CC(OCCO)c1ccccc1 7a_100011215659_100000211926 [0,2,0,0,0,0|1,0,1]=4 3730 B13R1.26 C=CC(OCSC)c1ccccc1 34a_100011215659_100011218213 [0,2,0,0,0,0|1,0,1]=4 3731 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,2,0,0,0,0|1,0,1]=4 3732 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,2,0,0,0,0|1,0,1]=4 3733 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,2,0,0,0,0|1,0,1]=4 3734 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,2,0,0,0,0|1,0,1]=4 3735 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,2,0,0,0,0|1,0,1]=4 3736 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,2,0,0,0,0|1,0,1]=4 3737 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,2,0,0,0,0|1,0,1]=4 3738 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,2,0,0,0,0|1,0,1]=4 3739 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,2,0,0,0,0|1,0,1]=4 3740 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,2,0,0,0,0|1,0,1]=4 3741 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,2,0,0,0,0|1,0,1]=4 3742 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,2,0,0,0,0|1,0,1]=4 3743 B13R1.26 CCNN=C(CC)c1ccccc1 4a_100000756455_100000210124 [0,2,0,0,0,0|2,0,0]=4 3744 B13R1.26 CCNN=C(CF)c1ccccc1 4a_100000756455_100000069468 [0,2,0,0,0,0|2,0,0]=4 3745 B13R1.26 CCNN=C(CO)c1ccccc1 4a_100000756455_100000748912 [0,2,0,0,0,0|1,0,1]=4 3746 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,2,0,0,0,0|1,0,1]=4 3747 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,2,0,0,0,0|1,0,1]=4 3748 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,2,0,0,0,0|0,0,2]=4 3749 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,2,0,0,0,0|0,0,2]=4 3750 B13R1.26 CCOCN(CC)c1ccccc1 269982a_100000210013_100000739092 [0,2,0,0,0,0|2,0,0]=4 3751 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [0,2,0,0,0,0|1,0,1]=4 3752 B13R1.26 CSCO[C@H](CCl)c1ccccc1 34a_100011933945_100011218213 [0,2,0,0,0,0|1,0,1]=4 3753 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,2,0,0,0,0|1,0,1]=4 3754 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,2,0,0,0,0|1,0,1]=4 3755 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,2,0,0,0,0|1,0,1]=4 3756 B13R1.26 N#CC(OCCF)c1ccccc1 7a_100011217353_100011217306 [0,2,0,0,0,0|1,0,1]=4 3757 B13R1.26 N#CC(OCCO)c1ccccc1 7a_100011217353_100000211926 [0,2,0,0,0,0|1,0,1]=4 3758 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,2,0,0,0,0|1,0,1]=4 3759 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,2,0,0,0,0|1,0,1]=4 3760 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,2,0,0,0,0|1,0,1]=4 3761 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,2,0,0,0,0|1,0,1]=4 3762 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,2,0,0,0,0|1,0,1]=4 3763 B13R1.173 CCOC(C#N)c1ccccc1Cl 7a_200011294979_100000210202 [0,2,0,0,0,0|1,0,1]=4 3764 B13R1.173 CCOC(CC)c1ccccc1F 34a_200011689290_100000210202 [0,2,0,0,0,0|1,0,1]=4 3765 B13R1.173 CCOC(CC)c1ccccc1F 7a_200011689290_100000210202 [0,2,0,0,0,0|1,0,1]=4 3766 B13R1.173 CCOC(CN)c1ccccc1Br 34a_100011236429_100000210202 [0,2,0,0,0,0|1,0,1]=4 3767 B13R1.173 CCOC(CN)c1ccccc1Cl 34a_200000759403_100000210202 [0,2,0,0,0,0|1,0,1]=4 3768 B13R1.398 C=CCC(OCC)c1ccccc1 34a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 3769 B13R1.398 C=CCC(OCC)c1ccccc1 7a_100000687291_100000210202 [0,2,0,0,0,0|1,0,1]=4 3770 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [0,2,0,0,0,0|1,0,1]=4 3771 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [0,2,0,0,0,0|1,0,1]=4 3772 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [0,2,0,0,0,0|2,0,0]=4 3773 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [0,2,0,0,0,0|2,0,0]=4 3774 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [0,2,0,0,0,0|2,0,0]=4 3775 B13R1.398 CCOC(CCN)c1ccccc1 34a_100000763605_100000210202 [0,2,0,0,0,0|1,0,1]=4 3776 B13R1.398 CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210202 [0,2,0,0,0,0|1,0,1]=4 3777 B13R1.398 CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210202 [0,2,0,0,0,0|1,0,1]=4 3778 B13R1.398 CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210202 [0,2,0,0,0,0|1,0,1]=4 3779 B13R1.402 C#CC(C)(OCC)c1ccccc1 34a_100000198054_100000210202 [0,2,0,0,0,0|1,0,1]=4 3780 B13R1.402 C#CC(C)(OCC)c1ccccc1 7a_100000198054_100000210202 [0,2,0,0,0,0|1,0,1]=4 3781 B13R1.402 CCOC(C)(CC)c1ccccc1 7a_100000748282_100000210202 [0,2,0,0,0,0|1,0,1]=4 3782 B13R1.405 C=C(C)C(OCC)c1ccccc1 34a_200011216824_100000210202 [0,2,0,0,0,0|1,0,1]=4 3783 B13R1.405 C=C(C)C(OCC)c1ccccc1 7a_200011216824_100000210202 [0,2,0,0,0,0|1,0,1]=4 3784 B13R1.405 CCCN(C(=O)C)c1ccccc1 11a_200011218496_100015343762 [0,2,0,0,0,0|2,0,0]=4 3785 B13R1.405 CCCN(C(=O)C)c1ccccc1 1626a_200011218496_100015343762 [0,2,0,0,0,0|2,0,0]=4 3786 B13R1.405 CCCN(C(=O)C)c1ccccc1 22a_200011218496_100000070787 [0,2,0,0,0,0|2,0,0]=4 3787 B13R1.405 CCNC(C(=O)C)c1ccccc1 2230a_100015525214_100009888967 [0,2,0,0,0,0|1,0,1]=4 3788 B13R1.405 CCNC(C(=O)N)c1ccccc1 2230a_100015525214_100000188848 [0,2,0,0,0,0|1,0,1]=4 3789 B13R1.405 CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210202 [0,2,0,0,0,0|1,0,1]=4 3790 B13R1.405 CCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210202 [0,2,0,0,0,0|1,0,1]=4 3791 B13R1.405 CCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210202 [0,2,0,0,0,0|0,0,1]=3 3792 B13R1.405 CCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210202 [0,2,0,0,0,0|0,0,1]=3 3793 B13R1.405 CCOC(c1ccccc1)C(C)C 34a_200011217822_100000210202 [0,2,0,0,0,0|1,0,1]=4 3794 B13R1.405 CCOC(c1ccccc1)C(C)C 7a_200011217822_100000210202 [0,2,0,0,0,0|1,0,1]=4 3795 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100000210202_100009888967 [0,2,0,0,0,0|0,1,1]=4 3796 B13R1.405 CCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210202 [0,2,0,0,0,0|0,1,1]=4 3797 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210202 [0,2,0,0,0,0|0,1,1]=4 3798 B13R1.405 CCSC(C(=O)N)c1ccccc1 62a_100000210202_100000188848 [0,2,0,0,0,0|0,1,1]=4 3799 B13R1.405 NC(=O)C(OCF)c1ccccc1 34a_100011200849_100015361967 [0,2,0,0,0,0|1,0,1]=4 3800 B13R1.405 NC(=O)C(OCF)c1ccccc1 7a_100011200849_100015361967 [0,2,0,0,0,0|1,0,1]=4 3801 B13R1.713 C#CC(OC(C)C)c1ccccc1 34a_100011219616_100000210206 [0,2,0,0,0,0|1,0,1]=4 3802 B13R1.713 C#CC(OC(C)C)c1ccccc1 7a_100011219616_100000210206 [0,2,0,0,0,0|1,0,1]=4 3803 B13R1.713 C=CC(OC(C)C)c1ccccc1 34a_100011215659_100000210206 [0,2,0,0,0,0|1,0,1]=4 3804 B13R1.713 C=CC(OC(C)C)c1ccccc1 7a_100011215659_100000210206 [0,2,0,0,0,0|1,0,1]=4 3805 B13R1.713 CC(C)OC(C#N)c1ccccc1 7a_100011217353_100000210206 [0,2,0,0,0,0|1,0,1]=4 3806 B13R1.713 CC(C)OC(CBr)c1ccccc1 7a_100000185958_100000210206 [0,2,0,0,0,0|1,0,1]=4 3807 B13R1.713 CC(C)OC(CN)c1ccccc1 34a_100000210709_100000210206 [0,2,0,0,0,0|1,0,1]=4 3808 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100000210206 [0,2,0,0,0,0|1,0,1]=4 3809 B13R1.713 CC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000210206 [0,2,0,0,0,0|1,0,1]=4 3810 B13R1.713 CCC(OC(C)C)c1ccccc1 34a_100000698172_100000210206 [0,2,0,0,0,0|1,0,1]=4 3811 B13R1.713 CCC(OC(C)C)c1ccccc1 7a_100000698172_100000210206 [0,2,0,0,0,0|1,0,1]=4 3812 B13R1.17 C#CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000753159 [0,2,0,0,0,0|1,0,1]=4 3813 B13R1.17 C#CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000753159 [0,2,0,0,0,0|1,0,1]=4 3814 B13R1.17 C#CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000753159 [0,2,0,0,0,0|1,0,1]=4 3815 B13R1.17 C#CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000753159 [0,2,0,0,0,0|1,0,1]=4 3816 B13R1.17 C#CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000753159 [0,2,0,0,0,0|1,0,1]=4 3817 B13R1.17 C#CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000753159 [0,2,0,0,0,0|1,0,1]=4 3818 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 11a_100000212058_100000185839 [0,2,0,0,0,0|1,0,1]=4 3819 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 1626a_100000212058_100000185839 [0,2,0,0,0,0|1,0,1]=4 3820 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 240690a_100000212058_100000185839 [0,2,0,0,0,0|1,0,1]=4 3821 B13R1.17 C#CCNC(=O)c1ccc(cc1)Br 527a_100000212058_100000185839 [0,2,0,0,0,0|1,0,1]=4 3822 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 11a_100000212058_100000188618 [0,2,0,0,0,0|1,0,1]=4 3823 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 1626a_100000212058_100000188618 [0,2,0,0,0,0|1,0,1]=4 3824 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 240690a_100000212058_100000188618 [0,2,0,0,0,0|1,0,1]=4 3825 B13R1.17 C#CCNC(=O)c1ccc(cc1)C 527a_100000212058_100000188618 [0,2,0,0,0,0|1,0,1]=4 3826 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 11a_100000212058_100000210187 [0,2,0,0,0,0|1,0,1]=4 3827 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 1626a_100000212058_100000210187 [0,2,0,0,0,0|1,0,1]=4 3828 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 240690a_100000212058_100000210187 [0,2,0,0,0,0|1,0,1]=4 3829 B13R1.17 C#CCNC(=O)c1ccc(cc1)Cl 527a_100000212058_100000210187 [0,2,0,0,0,0|1,0,1]=4 3830 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 11a_100000212058_100000187176 [0,2,0,0,0,0|1,0,1]=4 3831 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 1626a_100000212058_100000187176 [0,2,0,0,0,0|1,0,1]=4 3832 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 240690a_100000212058_100000187176 [0,2,0,0,0,0|1,0,1]=4 3833 B13R1.17 C#CCNC(=O)c1ccc(cc1)F 527a_100000212058_100000187176 [0,2,0,0,0,0|1,0,1]=4 3834 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 11a_100000212058_100000187904 [0,2,0,0,0,0|1,0,1]=4 3835 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 1626a_100000212058_100000187904 [0,2,0,0,0,0|1,0,1]=4 3836 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 240690a_100000212058_100000187904 [0,2,0,0,0,0|1,0,1]=4 3837 B13R1.17 C#CCNC(=O)c1ccc(cc1)I 527a_100000212058_100000187904 [0,2,0,0,0,0|1,0,1]=4 3838 B13R1.17 C#CCNC(=O)c1ccc(cc1)O 240690a_100000212058_100000212099 [0,2,0,0,0,0|1,0,1]=4 3839 B13R1.17 C#CCNC(=O)c1ccc(cc1)O 527a_100000212058_100000212099 [0,2,0,0,0,0|1,0,1]=4 3840 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)Br 1458a_100000185839_100102629194 [0,2,0,0,0,0|1,0,1]=4 3841 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)C 1458a_100000188618_100102629194 [0,2,0,0,0,0|1,0,1]=4 3842 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100102629194 [0,2,0,0,0,0|1,0,1]=4 3843 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)F 1458a_100000187176_100102629194 [0,2,0,0,0,0|1,0,1]=4 3844 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)I 1458a_100000187904_100102629194 [0,2,0,0,0,0|1,0,1]=4 3845 B13R1.17 C/C=C/CC(=O)c1ccc(cc1)O 1458a_100000212099_100102629194 [0,2,0,0,0,0|1,0,1]=4 3846 B13R1.17 C=CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000754431 [0,2,0,0,0,0|1,0,1]=4 3847 B13R1.17 C=CCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000754431 [0,2,0,0,0,0|1,0,1]=4 3848 B13R1.17 C=CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000754431 [0,2,0,0,0,0|1,0,1]=4 3849 B13R1.17 C=CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000754431 [0,2,0,0,0,0|1,0,1]=4 3850 B13R1.17 C=CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000754431 [0,2,0,0,0,0|1,0,1]=4 3851 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000754431 [0,2,0,0,0,0|1,0,1]=4 3852 B13R1.17 C=CCCC(=O)c1ccc(cc1)O 271570a_203496583355_200012050250 [0,2,0,0,0,0|1,0,1]=4 3853 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 1626a_100020586998_100000185839 [0,2,0,0,0,0|1,0,1]=4 3854 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 240690a_100020586998_100000185839 [0,2,0,0,0,0|1,0,1]=4 3855 B13R1.17 C=CCNC(=O)c1ccc(cc1)Br 527a_100020586998_100000185839 [0,2,0,0,0,0|1,0,1]=4 3856 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 1626a_100020586998_100000188618 [0,2,0,0,0,0|1,0,1]=4 3857 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 240690a_100020586998_100000188618 [0,2,0,0,0,0|1,0,1]=4 3858 B13R1.17 C=CCNC(=O)c1ccc(cc1)C 527a_100020586998_100000188618 [0,2,0,0,0,0|1,0,1]=4 3859 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 1626a_100020586998_100000210187 [0,2,0,0,0,0|1,0,1]=4 3860 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 240690a_100020586998_100000210187 [0,2,0,0,0,0|1,0,1]=4 3861 B13R1.17 C=CCNC(=O)c1ccc(cc1)Cl 527a_100020586998_100000210187 [0,2,0,0,0,0|1,0,1]=4 3862 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 1626a_100020586998_100000187176 [0,2,0,0,0,0|1,0,1]=4 3863 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 240690a_100020586998_100000187176 [0,2,0,0,0,0|1,0,1]=4 3864 B13R1.17 C=CCNC(=O)c1ccc(cc1)F 527a_100020586998_100000187176 [0,2,0,0,0,0|1,0,1]=4 3865 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 1626a_100020586998_100000187904 [0,2,0,0,0,0|1,0,1]=4 3866 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 240690a_100020586998_100000187904 [0,2,0,0,0,0|1,0,1]=4 3867 B13R1.17 C=CCNC(=O)c1ccc(cc1)I 527a_100020586998_100000187904 [0,2,0,0,0,0|1,0,1]=4 3868 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 240690a_100020586998_100000212099 [0,2,0,0,0,0|1,0,1]=4 3869 B13R1.17 C=CCNC(=O)c1ccc(cc1)O 527a_100020586998_100000212099 [0,2,0,0,0,0|1,0,1]=4 3870 B13R1.17 CC#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748600 [0,2,0,0,0,0|1,0,1]=4 3871 B13R1.17 CC#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000748600 [0,2,0,0,0,0|1,0,1]=4 3872 B13R1.17 CC#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748600 [0,2,0,0,0,0|1,0,1]=4 3873 B13R1.17 CC#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000748600 [0,2,0,0,0,0|1,0,1]=4 3874 B13R1.17 CC#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000748600 [0,2,0,0,0,0|1,0,1]=4 3875 B13R1.17 CC#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000748600 [0,2,0,0,0,0|1,0,1]=4 3876 B13R1.17 CC(OCCBr)c1ccc(cc1)Br 34a_100000211926_100000755118 [0,2,0,0,0,0|1,0,1]=4 3877 B13R1.17 CC(OCCBr)c1ccc(cc1)F 34a_100000211926_100000743420 [0,2,0,0,0,0|1,0,1]=4 3878 B13R1.17 CC(OCCF)c1ccc(cc1)Br 34a_100000745893_100011217306 [0,2,0,0,0,0|1,0,1]=4 3879 B13R1.17 CC(OCCF)c1ccc(cc1)Br 7a_100000745893_100011217306 [0,2,0,0,0,0|1,0,1]=4 3880 B13R1.17 CC(OCCF)c1ccc(cc1)F 34a_100000181323_100011217306 [0,2,0,0,0,0|1,0,1]=4 3881 B13R1.17 CC(OCCF)c1ccc(cc1)F 7a_100000181323_100011217306 [0,2,0,0,0,0|1,0,1]=4 3882 B13R1.17 CC(OCCF)c1ccc(cc1)N 34a_100011216399_100011217306 [0,2,0,0,0,0|1,0,1]=4 3883 B13R1.17 CC(OCCN)c1ccc(cc1)Br 34a_100000210304_100000755118 [0,2,0,0,0,0|1,0,1]=4 3884 B13R1.17 CC(OCCN)c1ccc(cc1)F 34a_100000210304_100000743420 [0,2,0,0,0,0|1,0,1]=4 3885 B13R1.17 CC(OCCO)c1ccc(cc1)Br 34a_100000745893_100000211926 [0,2,0,0,0,0|1,0,1]=4 3886 B13R1.17 CC(OCCO)c1ccc(cc1)Br 7a_100000745893_100000211926 [0,2,0,0,0,0|1,0,1]=4 3887 B13R1.17 CC(OCCO)c1ccc(cc1)F 34a_100000181323_100000211926 [0,2,0,0,0,0|1,0,1]=4 3888 B13R1.17 CC(OCCO)c1ccc(cc1)F 7a_100000181323_100000211926 [0,2,0,0,0,0|1,0,1]=4 3889 B13R1.17 CC(OCCO)c1ccc(cc1)N 34a_100011216399_100000211926 [0,2,0,0,0,0|1,0,1]=4 3890 B13R1.17 CC=CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000070051 [0,2,0,0,0,0|1,0,1]=4 3891 B13R1.17 CC=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000070051 [0,2,0,0,0,0|1,0,1]=4 3892 B13R1.17 CC=CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000070051 [0,2,0,0,0,0|1,0,1]=4 3893 B13R1.17 CC=CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000070051 [0,2,0,0,0,0|1,0,1]=4 3894 B13R1.17 CC=CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000070051 [0,2,0,0,0,0|1,0,1]=4 3895 B13R1.17 CC=CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000070051 [0,2,0,0,0,0|1,0,1]=4 3896 B13R1.17 CC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_200000210099 [0,2,0,0,0,0|1,0,1]=4 3897 B13R1.17 CC=NNC(=O)c1ccc(cc1)C 4a_100000189790_200000210099 [0,2,0,0,0,0|1,0,1]=4 3898 B13R1.17 CC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_200000210099 [0,2,0,0,0,0|1,0,1]=4 3899 B13R1.17 CC=NNC(=O)c1ccc(cc1)F 4a_100000182866_200000210099 [0,2,0,0,0,0|1,0,1]=4 3900 B13R1.17 CC=NNC(=O)c1ccc(cc1)I 4a_100000189773_200000210099 [0,2,0,0,0,0|1,0,1]=4 3901 B13R1.17 CCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210211 [0,2,0,0,0,0|1,0,0]=3 3902 B13R1.17 CCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210211 [0,2,0,0,0,0|1,0,0]=3 3903 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210211 [0,2,0,0,0,0|1,0,0]=3 3904 B13R1.17 CCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210211 [0,2,0,0,0,0|1,0,0]=3 3905 B13R1.17 CCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210211 [0,2,0,0,0,0|1,0,0]=3 3906 B13R1.17 CCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210211 [0,2,0,0,0,0|1,0,0]=3 3907 B13R1.17 CCCCC(=O)c1ccc(cc1)O 271570a_203496583355_100011215321 [0,2,0,0,0,0|1,0,0]=3 3908 B13R1.17 CCCCS(=O)c1ccc(cc1)O 271570a_203496583355_100016336038 [0,2,0,0,0,0|2,0,0]=4 3909 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 11a_100020643023_100000185839 [0,2,0,0,0,0|1,0,0]=3 3910 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 1626a_100020643023_100000185839 [0,2,0,0,0,0|1,0,0]=3 3911 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 240690a_100020643023_100000185839 [0,2,0,0,0,0|1,0,0]=3 3912 B13R1.17 CCCNC(=O)c1ccc(cc1)Br 527a_100020643023_100000185839 [0,2,0,0,0,0|1,0,0]=3 3913 B13R1.17 CCCNC(=O)c1ccc(cc1)C 11a_100020643023_100000188618 [0,2,0,0,0,0|1,0,0]=3 3914 B13R1.17 CCCNC(=O)c1ccc(cc1)C 1626a_100020643023_100000188618 [0,2,0,0,0,0|1,0,0]=3 3915 B13R1.17 CCCNC(=O)c1ccc(cc1)C 240690a_100020643023_100000188618 [0,2,0,0,0,0|1,0,0]=3 3916 B13R1.17 CCCNC(=O)c1ccc(cc1)C 527a_100020643023_100000188618 [0,2,0,0,0,0|1,0,0]=3 3917 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 11a_100020643023_100000210187 [0,2,0,0,0,0|1,0,0]=3 3918 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 1626a_100020643023_100000210187 [0,2,0,0,0,0|1,0,0]=3 3919 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 240690a_100020643023_100000210187 [0,2,0,0,0,0|1,0,0]=3 3920 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl 527a_100020643023_100000210187 [0,2,0,0,0,0|1,0,0]=3 3921 B13R1.17 CCCNC(=O)c1ccc(cc1)F 11a_100020643023_100000187176 [0,2,0,0,0,0|1,0,0]=3 3922 B13R1.17 CCCNC(=O)c1ccc(cc1)F 1626a_100020643023_100000187176 [0,2,0,0,0,0|1,0,0]=3 3923 B13R1.17 CCCNC(=O)c1ccc(cc1)F 240690a_100020643023_100000187176 [0,2,0,0,0,0|1,0,0]=3 3924 B13R1.17 CCCNC(=O)c1ccc(cc1)F 527a_100020643023_100000187176 [0,2,0,0,0,0|1,0,0]=3 3925 B13R1.17 CCCNC(=O)c1ccc(cc1)I 11a_100020643023_100000187904 [0,2,0,0,0,0|1,0,0]=3 3926 B13R1.17 CCCNC(=O)c1ccc(cc1)I 1626a_100020643023_100000187904 [0,2,0,0,0,0|1,0,0]=3 3927 B13R1.17 CCCNC(=O)c1ccc(cc1)I 240690a_100020643023_100000187904 [0,2,0,0,0,0|1,0,0]=3 3928 B13R1.17 CCCNC(=O)c1ccc(cc1)I 527a_100020643023_100000187904 [0,2,0,0,0,0|1,0,0]=3 3929 B13R1.17 CCCNC(=O)c1ccc(cc1)O 240690a_100020643023_100000212099 [0,2,0,0,0,0|1,0,0]=3 3930 B13R1.17 CCCNC(=O)c1ccc(cc1)O 271570a_203496583355_200000152267 [0,2,0,0,0,0|1,0,0]=3 3931 B13R1.17 CCCNC(=O)c1ccc(cc1)O 527a_100020643023_100000212099 [0,2,0,0,0,0|1,0,0]=3 3932 B13R1.17 CCCNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781247 [0,2,0,0,0,0|2,0,0]=4 3933 B13R1.17 CCCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000161739 [0,2,0,0,0,0|2,0,0]=4 3934 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000210258_100000755118 [0,2,0,0,0,0|1,0,1]=4 3935 B13R1.17 CCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210303 [0,2,0,0,0,0|1,0,1]=4 3936 B13R1.17 CCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210303 [0,2,0,0,0,0|1,0,1]=4 3937 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,2,0,0,0,0|1,0,1]=4 3938 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210303 [0,2,0,0,0,0|1,0,1]=4 3939 B13R1.17 CCCOC(C)c1ccc(cc1)F 34a_100000210258_100000743420 [0,2,0,0,0,0|1,0,1]=4 3940 B13R1.17 CCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210303 [0,2,0,0,0,0|1,0,1]=4 3941 B13R1.17 CCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210303 [0,2,0,0,0,0|1,0,1]=4 3942 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210303 [0,2,0,0,0,0|1,0,1]=4 3943 B13R1.17 CCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210303 [0,2,0,0,0,0|1,0,1]=4 3944 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,2,0,0,0,0|1,0,1]=4 3945 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,2,0,0,0,0|1,0,1]=4 3946 B13R1.17 CCNCC(=O)c1ccc(cc1)C 2230a_100015525214_100000211441 [0,2,0,0,0,0|1,0,0]=3 3947 B13R1.17 CCNN=C(C)c1ccc(cc1)Br 4a_100000756455_100000185794 [0,2,0,0,0,0|2,0,0]=4 3948 B13R1.17 CCNN=C(C)c1ccc(cc1)C 4a_100000756455_100000185793 [0,2,0,0,0,0|2,0,0]=4 3949 B13R1.17 CCNN=C(C)c1ccc(cc1)Cl 4a_100000756455_100000185797 [0,2,0,0,0,0|2,0,0]=4 3950 B13R1.17 CCNN=C(C)c1ccc(cc1)F 4a_100000756455_100000185800 [0,2,0,0,0,0|2,0,0]=4 3951 B13R1.17 CCNN=C(C)c1ccc(cc1)I 4a_100000756455_100000185465 [0,2,0,0,0,0|2,0,0]=4 3952 B13R1.17 CCNN=C(C)c1ccc(cc1)O 4a_100000756455_100000185113 [0,2,0,0,0,0|2,0,0]=4 3953 B13R1.17 CCNNC(=O)c1ccc(cc1)Br 22a_100000756455_100000185839 [0,2,0,0,0,0|1,0,0]=3 3954 B13R1.17 CCNNC(=O)c1ccc(cc1)C 22a_100000756455_100000188618 [0,2,0,0,0,0|1,0,0]=3 3955 B13R1.17 CCNNC(=O)c1ccc(cc1)Cl 22a_100000756455_100000210187 [0,2,0,0,0,0|1,0,0]=3 3956 B13R1.17 CCNNC(=O)c1ccc(cc1)F 22a_100000756455_100000187176 [0,2,0,0,0,0|1,0,0]=3 3957 B13R1.17 CCNNC(=O)c1ccc(cc1)I 22a_100000756455_100000187904 [0,2,0,0,0,0|1,0,0]=3 3958 B13R1.17 CCNNC(=O)c1ccc(cc1)O 22a_100000756455_100000212099 [0,2,0,0,0,0|1,0,0]=3 3959 B13R1.17 CCOCC(=O)c1ccc(cc1)Br 34a_100121572206_100000188085 [0,2,0,0,0,0|0,0,0]=2 3960 B13R1.17 CCOCC(=O)c1ccc(cc1)C 34a_100121572206_100000211441 [0,2,0,0,0,0|0,0,0]=2 3961 B13R1.17 CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210202 [0,2,0,0,0,0|0,0,0]=2 3962 B13R1.17 CCOCC(=O)c1ccc(cc1)I 34a_100121572206_100011216261 [0,2,0,0,0,0|0,0,0]=2 3963 B13R1.17 CCOCC(=O)c1ccc(cc1)O 34a_100121572206_100009814261 [0,2,0,0,0,0|0,0,0]=2 3964 B13R1.17 CCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210202 [0,2,0,0,0,0|1,0,1]=4 3965 B13R1.17 CCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210202 [0,2,0,0,0,0|1,0,1]=4 3966 B13R1.17 CCOCC(O)c1ccc(cc1)Cl 34a_100121572206_200011996143 [0,2,0,0,0,0|0,0,2]=4 3967 B13R1.17 CCOCN(C)c1ccc(cc1)Br 269982a_100000219623_100000739092 [0,2,0,0,0,0|2,0,0]=4 3968 B13R1.17 CCOCN(C)c1ccc(cc1)C 269982a_100000219977_100000739092 [0,2,0,0,0,0|2,0,0]=4 3969 B13R1.17 CCOCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000739092 [0,2,0,0,0,0|2,0,0]=4 3970 B13R1.17 CCOCN(C)c1ccc(cc1)F 269982a_100000219829_100000739092 [0,2,0,0,0,0|2,0,0]=4 3971 B13R1.17 CCOCN(C)c1ccc(cc1)I 269982a_100000743151_100000739092 [0,2,0,0,0,0|2,0,0]=4 3972 B13R1.17 CCOCN(C)c1ccc(cc1)O 269982a_100000182112_100000739092 [0,2,0,0,0,0|2,0,0]=4 3973 B13R1.17 CCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210202 [0,2,0,0,0,0|1,0,1]=4 3974 B13R1.17 CCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|1,0,1]=4 3975 B13R1.17 CCOC[C@H](O)c1ccc(cc1)F 34a_100121572206_100000720402 [0,2,0,0,0,0|0,0,2]=4 3976 B13R1.17 CCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210202 [0,2,0,0,0,0|0,1,0]=3 3977 B13R1.17 CCSCC(=O)c1ccc(cc1)C 62a_100000210202_100000211441 [0,2,0,0,0,0|0,1,0]=3 3978 B13R1.17 CCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210202 [0,2,0,0,0,0|0,1,0]=3 3979 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000210202_100000211071 [0,2,0,0,0,0|0,1,0]=3 3980 B13R1.17 CCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210202 [0,2,0,0,0,0|0,1,0]=3 3981 B13R1.17 CCSCC(=O)c1ccc(cc1)F 62a_100000210202_100000211279 [0,2,0,0,0,0|0,1,0]=3 3982 B13R1.17 CCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210202 [0,2,0,0,0,0|0,1,0]=3 3983 B13R1.17 CCSCC(=O)c1ccc(cc1)I 62a_100000210202_100011216261 [0,2,0,0,0,0|0,1,0]=3 3984 B13R1.17 CCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210202 [0,2,0,0,0,0|0,1,0]=3 3985 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100000210202_100009814261 [0,2,0,0,0,0|0,1,0]=3 3986 B13R1.17 CCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210202 [0,2,0,0,0,0|0,1,0]=3 3987 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100000210202_100016989621 [0,2,0,0,0,0|1,1,0]=4 3988 B13R1.17 CCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210202 [0,2,0,0,0,0|1,1,0]=4 3989 B13R1.17 CCSCC(=O)c1ccc(nc1)C 62a_100000210202_100012027583 [0,2,0,0,0,0|1,1,0]=4 3990 B13R1.17 CCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210202 [0,2,0,0,0,0|1,1,0]=4 3991 B13R1.17 CCSCC(=O)c1ccc(nc1)Cl 62a_100000210202_100009864725 [0,2,0,0,0,0|1,1,0]=4 3992 B13R1.17 CCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210202 [0,2,0,0,0,0|1,1,0]=4 3993 B13R1.17 CNCCC(=O)c1ccc(cc1)Br 7a_106832991635_100011215963 [0,2,0,0,0,0|1,0,0]=3 3994 B13R1.17 CNCCC(=O)c1ccc(cc1)C 2230a_106832991635_100000701375 [0,2,0,0,0,0|1,0,0]=3 3995 B13R1.17 CNCCC(=O)c1ccc(cc1)C 7a_106832991635_100000701375 [0,2,0,0,0,0|1,0,0]=3 3996 B13R1.17 CNCCC(=O)c1ccc(cc1)Cl 7a_106832991635_100011216492 [0,2,0,0,0,0|1,0,0]=3 3997 B13R1.17 CNCCC(=O)c1ccc(cc1)F 2230a_106832991635_100000211231 [0,2,0,0,0,0|1,0,0]=3 3998 B13R1.17 CNCCC(=O)c1ccc(cc1)F 7a_106832991635_100000211231 [0,2,0,0,0,0|1,0,0]=3 3999 B13R1.17 CNCCC(=O)c1ccc(cc1)O 2230a_106832991635_100009879949 [0,2,0,0,0,0|1,0,0]=3 4000 B13R1.17 CNCCC(=O)c1ccc(cc1)O 7a_106832991635_100009879949 [0,2,0,0,0,0|1,0,0]=3 4001 B13R1.17 COCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000233755 [0,2,0,0,0,0|1,0,0]=3 4002 B13R1.17 COCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000233755 [0,2,0,0,0,0|1,0,0]=3 4003 B13R1.17 COCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000233755 [0,2,0,0,0,0|1,0,0]=3 4004 B13R1.17 COCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000233755 [0,2,0,0,0,0|1,0,0]=3 4005 B13R1.17 COCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000233755 [0,2,0,0,0,0|1,0,0]=3 4006 B13R1.17 COCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000233755 [0,2,0,0,0,0|1,0,0]=3 4007 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000751147 [0,2,0,0,0,0|1,0,0]=3 4008 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_200000210301 [0,2,0,0,0,0|1,0,0]=3 4009 B13R1.17 CSCCC(=O)c1ccc(cc1)Br 62a_200000210301_100011215963 [0,2,0,0,0,0|1,0,0]=3 4010 B13R1.17 CSCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000751147 [0,2,0,0,0,0|1,0,0]=3 4011 B13R1.17 CSCCC(=O)c1ccc(cc1)C 62a_100000701375_200000210301 [0,2,0,0,0,0|1,0,0]=3 4012 B13R1.17 CSCCC(=O)c1ccc(cc1)C 62a_200000210301_100000701375 [0,2,0,0,0,0|1,0,0]=3 4013 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000751147 [0,2,0,0,0,0|1,0,0]=3 4014 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200000210301 [0,2,0,0,0,0|1,0,0]=3 4015 B13R1.17 CSCCC(=O)c1ccc(cc1)Cl 62a_200000210301_100011216492 [0,2,0,0,0,0|1,0,0]=3 4016 B13R1.17 CSCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000751147 [0,2,0,0,0,0|1,0,0]=3 4017 B13R1.17 CSCCC(=O)c1ccc(cc1)F 62a_100000211231_200000210301 [0,2,0,0,0,0|1,0,0]=3 4018 B13R1.17 CSCCC(=O)c1ccc(cc1)F 62a_200000210301_100000211231 [0,2,0,0,0,0|1,0,0]=3 4019 B13R1.17 CSCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000751147 [0,2,0,0,0,0|1,0,0]=3 4020 B13R1.17 CSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000751147 [0,2,0,0,0,0|1,0,0]=3 4021 B13R1.17 CSCCC(=O)c1ccc(cc1)O 62a_200000210301_100009879949 [0,2,0,0,0,0|1,0,0]=3 4022 B13R1.17 CSCOC(C)c1ccc(cc1)Br 34a_100000745893_100011218213 [0,2,0,0,0,0|1,0,1]=4 4023 B13R1.17 CSCOC(C)c1ccc(cc1)F 34a_100000181323_100011218213 [0,2,0,0,0,0|1,0,1]=4 4024 B13R1.17 CSCOC(C)c1ccc(cc1)N 34a_100011216399_100011218213 [0,2,0,0,0,0|1,0,1]=4 4025 B13R1.17 CSCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011218213 [0,2,0,0,0,0|1,0,1]=4 4026 B13R1.17 CSCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011218213 [0,2,0,0,0,0|1,0,1]=4 4027 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 34a_100011852131_100011217306 [0,2,0,0,0,0|1,0,1]=4 4028 B13R1.17 C[C@H](OCCF)c1ccc(cc1)Cl 7a_100011852131_100011217306 [0,2,0,0,0,0|1,0,1]=4 4029 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 34a_100011852131_100000211926 [0,2,0,0,0,0|1,0,1]=4 4030 B13R1.17 C[C@H](OCCO)c1ccc(cc1)Cl 7a_100011852131_100000211926 [0,2,0,0,0,0|1,0,1]=4 4031 B13R1.17 Cc1ccc(cc1)C(=O)CCC#N 1458a_100000188618_100011215226 [0,2,0,0,0,0|1,0,1]=4 4032 B13R1.17 Cc1ccc(cc1)C(=O)CCCF 1458a_100000188618_100011934791 [0,2,0,0,0,0|1,0,0]=3 4033 B13R1.17 Cc1ccc(cc1)C(=O)CCCO 1458a_100000188618_100011215043 [0,2,0,0,0,0|1,0,0]=3 4034 B13R1.17 Cc1ccc(cc1)C(=O)CCS[13CH3] 62a_100000701375_200025704644 [0,2,0,0,0,0|1,0,0]=3 4035 B13R1.17 Cc1ccc(cc1)C(=O)CCS[13CH3] 62a_200025704644_100000701375 [0,2,0,0,0,0|1,0,0]=3 4036 B13R1.17 Cc1ccc(cc1)C(=O)CSCF 62a_100000211441_100015361967 [0,2,0,0,0,0|1,1,0]=4 4037 B13R1.17 Cc1ccc(cc1)C(=O)CSCF 62a_100015361967_100000211441 [0,2,0,0,0,0|1,1,0]=4 4038 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N 1626a_100000734998_100000188618 [0,2,0,0,0,0|1,0,1]=4 4039 B13R1.17 Cc1ccc(cc1)C(=O)NCC#N 527a_100000734998_100000188618 [0,2,0,0,0,0|1,0,1]=4 4040 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 11a_100000724931_100000188618 [0,2,0,0,0,0|1,0,0]=3 4041 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 1626a_100000724931_100000188618 [0,2,0,0,0,0|1,0,0]=3 4042 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 240690a_100000724931_100000188618 [0,2,0,0,0,0|1,0,0]=3 4043 B13R1.17 Cc1ccc(cc1)C(=O)NCCF 527a_100000724931_100000188618 [0,2,0,0,0,0|1,0,0]=3 4044 B13R1.17 Cc1ccc(cc1)C(=O)NCCO 240690a_100000210304_100000188618 [0,2,0,0,0,0|1,0,0]=3 4045 B13R1.17 Cc1ccc(cc1)C(=O)NCCO 527a_100000210304_100000188618 [0,2,0,0,0,0|1,0,0]=3 4046 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,2,0,0,0,0|1,0,1]=4 4047 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,2,0,0,0,0|1,0,1]=4 4048 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,2,0,0,0,0|1,0,1]=4 4049 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,2,0,0,0,0|1,0,1]=4 4050 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,2,0,0,0,0|1,0,1]=4 4051 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,2,0,0,0,0|1,0,1]=4 4052 B13R1.17 N#CCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215226 [0,2,0,0,0,0|1,0,1]=4 4053 B13R1.17 N#CCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215226 [0,2,0,0,0,0|1,0,1]=4 4054 B13R1.17 N#CCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215226 [0,2,0,0,0,0|1,0,1]=4 4055 B13R1.17 N#CCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215226 [0,2,0,0,0,0|1,0,1]=4 4056 B13R1.17 N#CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215226 [0,2,0,0,0,0|1,0,1]=4 4057 B13R1.17 N#CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100000689336 [0,2,0,0,0,0|1,0,1]=4 4058 B13R1.17 N#CCNC(=O)c1ccc(cc1)Br 1626a_100000734998_100000185839 [0,2,0,0,0,0|1,0,1]=4 4059 B13R1.17 N#CCNC(=O)c1ccc(cc1)Br 527a_100000734998_100000185839 [0,2,0,0,0,0|1,0,1]=4 4060 B13R1.17 N#CCNC(=O)c1ccc(cc1)Cl 1626a_100000734998_100000210187 [0,2,0,0,0,0|1,0,1]=4 4061 B13R1.17 N#CCNC(=O)c1ccc(cc1)Cl 527a_100000734998_100000210187 [0,2,0,0,0,0|1,0,1]=4 4062 B13R1.17 N#CCNC(=O)c1ccc(cc1)F 1626a_100000734998_100000187176 [0,2,0,0,0,0|1,0,1]=4 4063 B13R1.17 N#CCNC(=O)c1ccc(cc1)F 527a_100000734998_100000187176 [0,2,0,0,0,0|1,0,1]=4 4064 B13R1.17 N#CCNC(=O)c1ccc(cc1)I 1626a_100000734998_100000187904 [0,2,0,0,0,0|1,0,1]=4 4065 B13R1.17 N#CCNC(=O)c1ccc(cc1)I 527a_100000734998_100000187904 [0,2,0,0,0,0|1,0,1]=4 4066 B13R1.17 N#CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000752546 [0,2,0,0,0,0|1,0,1]=4 4067 B13R1.17 N#CCNC(=O)c1ccc(cc1)O 527a_100000734998_100000212099 [0,2,0,0,0,0|1,0,1]=4 4068 B13R1.17 O=C(CCCF)c1ccc(cc1)Br 1458a_100000185839_100011934791 [0,2,0,0,0,0|1,0,0]=3 4069 B13R1.17 O=C(CCCF)c1ccc(cc1)Cl 1458a_100000210187_100011934791 [0,2,0,0,0,0|1,0,0]=3 4070 B13R1.17 O=C(CCCF)c1ccc(cc1)F 1458a_100000187176_100011934791 [0,2,0,0,0,0|1,0,0]=3 4071 B13R1.17 O=C(CCCF)c1ccc(cc1)I 1458a_100000187904_100011934791 [0,2,0,0,0,0|1,0,0]=3 4072 B13R1.17 O=C(CCCF)c1ccc(cc1)O 1458a_100000212099_100011934791 [0,2,0,0,0,0|1,0,0]=3 4073 B13R1.17 O=C(CCCO)c1ccc(cc1)Br 1458a_100000185839_100011215043 [0,2,0,0,0,0|1,0,0]=3 4074 B13R1.17 O=C(CCCO)c1ccc(cc1)Cl 1458a_100000210187_100011215043 [0,2,0,0,0,0|1,0,0]=3 4075 B13R1.17 O=C(CCCO)c1ccc(cc1)F 1458a_100000187176_100011215043 [0,2,0,0,0,0|1,0,0]=3 4076 B13R1.17 O=C(CCCO)c1ccc(cc1)I 1458a_100000187904_100011215043 [0,2,0,0,0,0|1,0,0]=3 4077 B13R1.17 O=C(CCCO)c1ccc(cc1)O 1458a_100000212099_100011215043 [0,2,0,0,0,0|1,0,0]=3 4078 B13R1.17 O=C(COCF)c1ccc(cc1)F 34a_100000246311_100015361967 [0,2,0,0,0,0|1,0,0]=3 4079 B13R1.17 O=C(CSCF)c1ccc(cc1)Br 62a_100000188085_100015361967 [0,2,0,0,0,0|1,1,0]=4 4080 B13R1.17 O=C(CSCF)c1ccc(cc1)Cl 62a_100000211071_100015361967 [0,2,0,0,0,0|1,1,0]=4 4081 B13R1.17 O=C(CSCF)c1ccc(cc1)Cl 62a_100015361967_100000211071 [0,2,0,0,0,0|1,1,0]=4 4082 B13R1.17 O=C(CSCF)c1ccc(cc1)F 62a_100000211279_100015361967 [0,2,0,0,0,0|1,1,0]=4 4083 B13R1.17 O=C(CSCF)c1ccc(cc1)F 62a_100015361967_100000211279 [0,2,0,0,0,0|1,1,0]=4 4084 B13R1.17 O=C(CSCF)c1ccc(cc1)I 62a_100011216261_100015361967 [0,2,0,0,0,0|1,1,0]=4 4085 B13R1.17 O=C(CSCF)c1ccc(cc1)I 62a_100015361967_100011216261 [0,2,0,0,0,0|1,1,0]=4 4086 B13R1.17 O=C(CSCF)c1ccc(cc1)O 62a_100009814261_100015361967 [0,2,0,0,0,0|1,1,0]=4 4087 B13R1.17 O=C(CSCF)c1ccc(cc1)O 62a_100015361967_100009814261 [0,2,0,0,0,0|1,1,0]=4 4088 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 11a_100000724931_100000185839 [0,2,0,0,0,0|1,0,0]=3 4089 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 1626a_100000724931_100000185839 [0,2,0,0,0,0|1,0,0]=3 4090 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 240690a_100000724931_100000185839 [0,2,0,0,0,0|1,0,0]=3 4091 B13R1.17 O=C(NCCF)c1ccc(cc1)Br 527a_100000724931_100000185839 [0,2,0,0,0,0|1,0,0]=3 4092 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 11a_100000724931_100000210187 [0,2,0,0,0,0|1,0,0]=3 4093 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 1626a_100000724931_100000210187 [0,2,0,0,0,0|1,0,0]=3 4094 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 240690a_100000724931_100000210187 [0,2,0,0,0,0|1,0,0]=3 4095 B13R1.17 O=C(NCCF)c1ccc(cc1)Cl 527a_100000724931_100000210187 [0,2,0,0,0,0|1,0,0]=3 4096 B13R1.17 O=C(NCCF)c1ccc(cc1)F 11a_100000724931_100000187176 [0,2,0,0,0,0|1,0,0]=3 4097 B13R1.17 O=C(NCCF)c1ccc(cc1)F 1626a_100000724931_100000187176 [0,2,0,0,0,0|1,0,0]=3 4098 B13R1.17 O=C(NCCF)c1ccc(cc1)F 240690a_100000724931_100000187176 [0,2,0,0,0,0|1,0,0]=3 4099 B13R1.17 O=C(NCCF)c1ccc(cc1)F 527a_100000724931_100000187176 [0,2,0,0,0,0|1,0,0]=3 4100 B13R1.17 O=C(NCCF)c1ccc(cc1)I 11a_100000724931_100000187904 [0,2,0,0,0,0|1,0,0]=3 4101 B13R1.17 O=C(NCCF)c1ccc(cc1)I 1626a_100000724931_100000187904 [0,2,0,0,0,0|1,0,0]=3 4102 B13R1.17 O=C(NCCF)c1ccc(cc1)I 240690a_100000724931_100000187904 [0,2,0,0,0,0|1,0,0]=3 4103 B13R1.17 O=C(NCCF)c1ccc(cc1)I 527a_100000724931_100000187904 [0,2,0,0,0,0|1,0,0]=3 4104 B13R1.17 O=C(NCCF)c1ccc(cc1)O 240690a_100000724931_100000212099 [0,2,0,0,0,0|1,0,0]=3 4105 B13R1.17 O=C(NCCF)c1ccc(cc1)O 527a_100000724931_100000212099 [0,2,0,0,0,0|1,0,0]=3 4106 B13R1.17 O=C(NCCO)c1ccc(cc1)Br 240690a_100000210304_100000185839 [0,2,0,0,0,0|1,0,0]=3 4107 B13R1.17 O=C(NCCO)c1ccc(cc1)Br 527a_100000210304_100000185839 [0,2,0,0,0,0|1,0,0]=3 4108 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 240690a_100000210304_100000210187 [0,2,0,0,0,0|1,0,0]=3 4109 B13R1.17 O=C(NCCO)c1ccc(cc1)Cl 527a_100000210304_100000210187 [0,2,0,0,0,0|1,0,0]=3 4110 B13R1.17 O=C(NCCO)c1ccc(cc1)F 240690a_100000210304_100000187176 [0,2,0,0,0,0|1,0,0]=3 4111 B13R1.17 O=C(NCCO)c1ccc(cc1)F 527a_100000210304_100000187176 [0,2,0,0,0,0|1,0,0]=3 4112 B13R1.17 O=C(NCCO)c1ccc(cc1)I 240690a_100000210304_100000187904 [0,2,0,0,0,0|1,0,0]=3 4113 B13R1.17 O=C(NCCO)c1ccc(cc1)I 527a_100000210304_100000187904 [0,2,0,0,0,0|1,0,0]=3 4114 B13R1.17 O=C(NCCO)c1ccc(cc1)O 240690a_100000210304_100000212099 [0,2,0,0,0,0|1,0,0]=3 4115 B13R1.17 O=C(NCCO)c1ccc(cc1)O 271570a_203496583355_200000158904 [0,2,0,0,0,0|1,0,0]=3 4116 B13R1.17 O=C(NCCO)c1ccc(cc1)O 527a_100000210304_100000212099 [0,2,0,0,0,0|1,0,0]=3 4117 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Br 62a_100011215963_200025704644 [0,2,0,0,0,0|1,0,0]=3 4118 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Br 62a_200025704644_100011215963 [0,2,0,0,0,0|1,0,0]=3 4119 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_200025704644 [0,2,0,0,0,0|1,0,0]=3 4120 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)Cl 62a_200025704644_100011216492 [0,2,0,0,0,0|1,0,0]=3 4121 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)F 62a_100000211231_200025704644 [0,2,0,0,0,0|1,0,0]=3 4122 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)F 62a_200025704644_100000211231 [0,2,0,0,0,0|1,0,0]=3 4123 B13R1.17 [13CH3]SCCC(=O)c1ccc(cc1)O 62a_200025704644_100009879949 [0,2,0,0,0,0|1,0,0]=3 4124 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 34a_217856618577_100000210303 [0,2,0,0,0,0|1,0,1]=4 4125 B13R1.17 [2H]C(OCCC)c1ccc(cc1)F 7a_217856618577_100000210303 [0,2,0,0,0,0|1,0,1]=4 4126 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 34a_217856618577_100011217306 [0,2,0,0,0,0|1,0,1]=4 4127 B13R1.17 [2H]C(OCCF)c1ccc(cc1)F 7a_217856618577_100011217306 [0,2,0,0,0,0|1,0,1]=4 4128 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 34a_217856618577_100000211926 [0,2,0,0,0,0|1,0,1]=4 4129 B13R1.17 [2H]C(OCCO)c1ccc(cc1)F 7a_217856618577_100000211926 [0,2,0,0,0,0|1,0,1]=4 4130 B13R1.17 [2H]C(OCSC)c1ccc(cc1)F 34a_217856618577_100011218213 [0,2,0,0,0,0|1,0,1]=4 4131 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Br 62a_100000184162_200025704644 [0,2,0,0,0,0|2,0,0]=4 4132 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Br 62a_200025704644_100000184162 [0,2,0,0,0,0|2,0,0]=4 4133 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Cl 62a_100000183210_200025704644 [0,2,0,0,0,0|2,0,0]=4 4134 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Cl 62a_200025704644_100000183210 [0,2,0,0,0,0|2,0,0]=4 4135 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)F 62a_100000229918_200025704644 [0,2,0,0,0,0|2,0,0]=4 4136 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)F 62a_200025704644_100000229918 [0,2,0,0,0,0|2,0,0]=4 4137 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200010205864_200025704644 [0,2,0,0,0,0|2,0,0]=4 4138 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200025704644_200010205864 [0,2,0,0,0,0|2,0,0]=4 4139 B13R1.21 CCC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000758301 [0,2,0,0,0,0|1,0,0]=3 4140 B13R1.21 CCC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100000758301 [0,2,0,0,0,0|1,0,0]=3 4141 B13R1.21 CCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000758301 [0,2,0,0,0,0|1,0,0]=3 4142 B13R1.21 CCC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000758301 [0,2,0,0,0,0|1,0,0]=3 4143 B13R1.21 CCC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000758301 [0,2,0,0,0,0|1,0,0]=3 4144 B13R1.21 CCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000758301 [0,2,0,0,0,0|1,0,0]=3 4145 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Br 11a_100000225621_100000185839 [0,2,0,0,0,0|1,0,0]=3 4146 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Br 1626a_100000225621_100000185839 [0,2,0,0,0,0|1,0,0]=3 4147 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Br 240690a_100000225621_100000185839 [0,2,0,0,0,0|1,0,0]=3 4148 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Br 527a_100000225621_100000185839 [0,2,0,0,0,0|1,0,0]=3 4149 B13R1.21 CCN(C)C(=O)c1ccc(cc1)C 11a_100000225621_100000188618 [0,2,0,0,0,0|1,0,0]=3 4150 B13R1.21 CCN(C)C(=O)c1ccc(cc1)C 1626a_100000225621_100000188618 [0,2,0,0,0,0|1,0,0]=3 4151 B13R1.21 CCN(C)C(=O)c1ccc(cc1)C 240690a_100000225621_100000188618 [0,2,0,0,0,0|1,0,0]=3 4152 B13R1.21 CCN(C)C(=O)c1ccc(cc1)C 527a_100000225621_100000188618 [0,2,0,0,0,0|1,0,0]=3 4153 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Cl 11a_100000225621_100000210187 [0,2,0,0,0,0|1,0,0]=3 4154 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Cl 1626a_100000225621_100000210187 [0,2,0,0,0,0|1,0,0]=3 4155 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Cl 240690a_100000225621_100000210187 [0,2,0,0,0,0|1,0,0]=3 4156 B13R1.21 CCN(C)C(=O)c1ccc(cc1)Cl 527a_100000225621_100000210187 [0,2,0,0,0,0|1,0,0]=3 4157 B13R1.21 CCN(C)C(=O)c1ccc(cc1)F 11a_100000225621_100000187176 [0,2,0,0,0,0|1,0,0]=3 4158 B13R1.21 CCN(C)C(=O)c1ccc(cc1)F 1626a_100000225621_100000187176 [0,2,0,0,0,0|1,0,0]=3 4159 B13R1.21 CCN(C)C(=O)c1ccc(cc1)F 240690a_100000225621_100000187176 [0,2,0,0,0,0|1,0,0]=3 4160 B13R1.21 CCN(C)C(=O)c1ccc(cc1)F 527a_100000225621_100000187176 [0,2,0,0,0,0|1,0,0]=3 4161 B13R1.21 CCN(C)C(=O)c1ccc(cc1)I 11a_100000225621_100000187904 [0,2,0,0,0,0|1,0,0]=3 4162 B13R1.21 CCN(C)C(=O)c1ccc(cc1)I 1626a_100000225621_100000187904 [0,2,0,0,0,0|1,0,0]=3 4163 B13R1.21 CCN(C)C(=O)c1ccc(cc1)I 240690a_100000225621_100000187904 [0,2,0,0,0,0|1,0,0]=3 4164 B13R1.21 CCN(C)C(=O)c1ccc(cc1)I 527a_100000225621_100000187904 [0,2,0,0,0,0|1,0,0]=3 4165 B13R1.21 CCN(C)C(=O)c1ccc(cc1)O 240690a_100000225621_100000212099 [0,2,0,0,0,0|1,0,0]=3 4166 B13R1.21 CCN(C)C(=O)c1ccc(cc1)O 527a_100000225621_100000212099 [0,2,0,0,0,0|1,0,0]=3 4167 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 2230a_106832991635_100000184162 [0,2,0,0,0,0|2,0,0]=4 4168 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 34a_100102657272_100000184162 [0,2,0,0,0,0|2,0,0]=4 4169 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 7a_106832991635_100000184162 [0,2,0,0,0,0|2,0,0]=4 4170 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 2230a_106832991635_100000726416 [0,2,0,0,0,0|2,0,0]=4 4171 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 34a_100102657272_100000726416 [0,2,0,0,0,0|2,0,0]=4 4172 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 7a_106832991635_100000183984 [0,2,0,0,0,0|2,0,0]=4 4173 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 2230a_106832991635_100000183210 [0,2,0,0,0,0|2,0,0]=4 4174 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991635_100000183210 [0,2,0,0,0,0|2,0,0]=4 4175 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 2230a_106832991635_100000229918 [0,2,0,0,0,0|2,0,0]=4 4176 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 34a_100102657272_100000229918 [0,2,0,0,0,0|2,0,0]=4 4177 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 7a_106832991635_100000229918 [0,2,0,0,0,0|2,0,0]=4 4178 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 2230a_106832991635_200010205864 [0,2,0,0,0,0|2,0,0]=4 4179 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 34a_100102657272_200010205864 [0,2,0,0,0,0|2,0,0]=4 4180 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 7a_106832991635_200010205864 [0,2,0,0,0,0|2,0,0]=4 4181 B13R1.21 COC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100012339527 [0,2,0,0,0,0|2,0,0]=4 4182 B13R1.21 COC(C)C(=O)c1ccc(cc1)Br 34a_100138415774_100000184162 [0,2,0,0,0,0|2,0,0]=4 4183 B13R1.21 COC(C)C(=O)c1ccc(cc1)C 34a_100138415774_100000726416 [0,2,0,0,0,0|2,0,0]=4 4184 B13R1.21 COC(C)C(=O)c1ccc(cc1)F 34a_100138415774_100000229918 [0,2,0,0,0,0|2,0,0]=4 4185 B13R1.21 COC(C)C(=O)c1ccc(cc1)O 34a_100138415774_200010205864 [0,2,0,0,0,0|2,0,0]=4 4186 B13R1.21 CON(C)C(=O)c1ccc(cc1)O 271570a_203496583355_100000153844 [0,2,0,0,0,0|2,0,0]=4 4187 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Br 62a_100000184162_200000210301 [0,2,0,0,0,0|2,0,0]=4 4188 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Br 62a_200000210301_100000184162 [0,2,0,0,0,0|2,0,0]=4 4189 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_100000726416_200000210301 [0,2,0,0,0,0|2,0,0]=4 4190 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_200000210301_100000726416 [0,2,0,0,0,0|2,0,0]=4 4191 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Cl 62a_100000183210_200000210301 [0,2,0,0,0,0|2,0,0]=4 4192 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Cl 62a_200000210301_100000183210 [0,2,0,0,0,0|2,0,0]=4 4193 B13R1.21 CSC(C)C(=O)c1ccc(cc1)F 62a_100000229918_200000210301 [0,2,0,0,0,0|2,0,0]=4 4194 B13R1.21 CSC(C)C(=O)c1ccc(cc1)F 62a_200000210301_100000229918 [0,2,0,0,0,0|2,0,0]=4 4195 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200000210301_200010205864 [0,2,0,0,0,0|2,0,0]=4 4196 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_200000210301 [0,2,0,0,0,0|2,0,0]=4 4197 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_100000726416_200025704644 [0,2,0,0,0,0|2,0,0]=4 4198 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_200025704644_100000726416 [0,2,0,0,0,0|2,0,0]=4 4199 B13R1.29 CCCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_200010264448 [0,2,0,0,0,0|2,0,0]=4 4200 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br 270084a_100015525214_100000182491 [0,2,0,0,0,0|2,0,0]=4 4201 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br 274078a_100015525214_100000182491 [0,2,0,0,0,0|2,0,0]=4 4202 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br 40a_100015525214_100010306709 [0,2,0,0,0,0|2,0,0]=4 4203 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C 270084a_100015525214_100000211267 [0,2,0,0,0,0|2,0,0]=4 4204 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C 274078a_100015525214_100000211267 [0,2,0,0,0,0|2,0,0]=4 4205 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C 40a_100015525214_100000039673 [0,2,0,0,0,0|2,0,0]=4 4206 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl 270084a_100015525214_100000209962 [0,2,0,0,0,0|2,0,0]=4 4207 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl 274078a_100015525214_100000209962 [0,2,0,0,0,0|2,0,0]=4 4208 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Cl 40a_100015525214_100000077732 [0,2,0,0,0,0|2,0,0]=4 4209 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F 270084a_100015525214_100000184267 [0,2,0,0,0,0|2,0,0]=4 4210 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F 274078a_100015525214_100000184267 [0,2,0,0,0,0|2,0,0]=4 4211 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)F 40a_100015525214_100000081159 [0,2,0,0,0,0|2,0,0]=4 4212 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)I 270084a_100015525214_100011205396 [0,2,0,0,0,0|2,0,0]=4 4213 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)I 274078a_100015525214_100011205396 [0,2,0,0,0,0|2,0,0]=4 4214 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)N 40a_100015525214_100000054796 [0,2,0,0,0,0|2,0,0]=4 4215 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O 270084a_100015525214_100020667864 [0,2,0,0,0,0|2,0,0]=4 4216 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_200000165184 [0,2,0,0,0,0|2,0,0]=4 4217 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)O 274078a_100015525214_100020667864 [0,2,0,0,0,0|2,0,0]=4 4218 B13R1.29 CCOC(C)(C)c1ccc(cc1)Br 34a_100000753367_100000210202 [0,2,0,0,0,0|1,0,1]=4 4219 B13R1.29 CCOC(C)(C)c1ccc(cc1)Br 7a_100000753367_100000210202 [0,2,0,0,0,0|1,0,1]=4 4220 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000210202 [0,2,0,0,0,0|1,0,1]=4 4221 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000210202 [0,2,0,0,0,0|1,0,1]=4 4222 B13R1.29 CCOC(C)(C)c1ccc(cc1)Cl 34a_100000750429_100000210202 [0,2,0,0,0,0|1,0,1]=4 4223 B13R1.29 CCOC(C)(C)c1ccc(cc1)Cl 7a_100000750429_100000210202 [0,2,0,0,0,0|1,0,1]=4 4224 B13R1.29 CCOC(C)(C)c1ccc(cc1)F 34a_100011219992_100000210202 [0,2,0,0,0,0|1,0,1]=4 4225 B13R1.29 CCOC(C)(C)c1ccc(cc1)F 7a_100011219992_100000210202 [0,2,0,0,0,0|1,0,1]=4 4226 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748629 [0,2,0,0,0,0|1,0,1]=4 4227 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000748629 [0,2,0,0,0,0|1,0,1]=4 4228 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748629 [0,2,0,0,0,0|1,0,1]=4 4229 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000748629 [0,2,0,0,0,0|1,0,1]=4 4230 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000748629 [0,2,0,0,0,0|1,0,1]=4 4231 B13R1.132 C=C(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748629 [0,2,0,0,0,0|1,0,1]=4 4232 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,2,0,0,0,0|1,0,1]=4 4233 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,2,0,0,0,0|1,0,1]=4 4234 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,2,0,0,0,0|1,0,1]=4 4235 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,2,0,0,0,0|1,0,1]=4 4236 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,2,0,0,0,0|1,0,1]=4 4237 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,2,0,0,0,0|1,0,1]=4 4238 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,2,0,0,0,0|1,0,1]=4 4239 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210624 [0,2,0,0,0,0|1,0,0]=3 4240 B13R1.132 CC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210624 [0,2,0,0,0,0|1,0,0]=3 4241 B13R1.132 CC(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000210624 [0,2,0,0,0,0|1,0,0]=3 4242 B13R1.132 CC(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000210624 [0,2,0,0,0,0|1,0,0]=3 4243 B13R1.132 CC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000210624 [0,2,0,0,0,0|1,0,0]=3 4244 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 11a_100138425928_100000185839 [0,2,0,0,0,0|1,0,0]=3 4245 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 1626a_100138425928_100000185839 [0,2,0,0,0,0|1,0,0]=3 4246 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 240690a_100138425928_100000185839 [0,2,0,0,0,0|1,0,0]=3 4247 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br 527a_100138425928_100000185839 [0,2,0,0,0,0|1,0,0]=3 4248 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 11a_100138425928_100000210187 [0,2,0,0,0,0|1,0,0]=3 4249 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 1626a_100138425928_100000210187 [0,2,0,0,0,0|1,0,0]=3 4250 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 240690a_100138425928_100000210187 [0,2,0,0,0,0|1,0,0]=3 4251 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl 527a_100138425928_100000210187 [0,2,0,0,0,0|1,0,0]=3 4252 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 11a_100138425928_100000187176 [0,2,0,0,0,0|1,0,0]=3 4253 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 1626a_100138425928_100000187176 [0,2,0,0,0,0|1,0,0]=3 4254 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 240690a_100138425928_100000187176 [0,2,0,0,0,0|1,0,0]=3 4255 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F 527a_100138425928_100000187176 [0,2,0,0,0,0|1,0,0]=3 4256 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 11a_100138425928_100000187904 [0,2,0,0,0,0|1,0,0]=3 4257 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 1626a_100138425928_100000187904 [0,2,0,0,0,0|1,0,0]=3 4258 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 240690a_100138425928_100000187904 [0,2,0,0,0,0|1,0,0]=3 4259 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I 527a_100138425928_100000187904 [0,2,0,0,0,0|1,0,0]=3 4260 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 240690a_100138425928_100000212099 [0,2,0,0,0,0|1,0,0]=3 4261 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 271570a_203496583355_200000152628 [0,2,0,0,0,0|1,0,0]=3 4262 B13R1.132 CC(C)NC(=O)c1ccc(cc1)O 527a_100138425928_100000212099 [0,2,0,0,0,0|1,0,0]=3 4263 B13R1.132 CC(C)NC(=O)c1ccc(nc1)O 271570a_203496583355_100000157566 [0,2,0,0,0,0|2,0,0]=4 4264 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000212225_100000755118 [0,2,0,0,0,0|1,0,1]=4 4265 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_100000210206 [0,2,0,0,0,0|1,0,1]=4 4266 B13R1.132 CC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_100000210206 [0,2,0,0,0,0|1,0,1]=4 4267 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000181323_100000210206 [0,2,0,0,0,0|1,0,1]=4 4268 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 34a_100000212225_100000743420 [0,2,0,0,0,0|1,0,1]=4 4269 B13R1.132 CC(C)OC(C)c1ccc(cc1)F 7a_100000181323_100000210206 [0,2,0,0,0,0|1,0,1]=4 4270 B13R1.132 CC(C)OC(C)c1ccc(cc1)N 34a_100011216399_100000210206 [0,2,0,0,0,0|1,0,1]=4 4271 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210206 [0,2,0,0,0,0|1,0,1]=4 4272 B13R1.132 CC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210206 [0,2,0,0,0,0|1,0,1]=4 4273 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218427 [0,2,0,0,0,0|1,0,0]=3 4274 B13R1.132 CC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218427 [0,2,0,0,0,0|1,0,0]=3 4275 B13R1.132 CC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218427 [0,2,0,0,0,0|1,0,0]=3 4276 B13R1.132 CC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218427 [0,2,0,0,0,0|1,0,0]=3 4277 B13R1.132 CC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218427 [0,2,0,0,0,0|1,0,0]=3 4278 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Br 269982a_100102631434_100000188085 [0,2,0,0,0,0|2,0,0]=4 4279 B13R1.132 CN(C)CC(=O)c1ccc(cc1)Cl 269982a_100102631434_100000211071 [0,2,0,0,0,0|2,0,0]=4 4280 B13R1.132 CN(C)CC(=O)c1ccc(cc1)F 269982a_100102631434_100000211279 [0,2,0,0,0,0|2,0,0]=4 4281 B13R1.132 CN(C)CC(=O)c1ccc(cc1)I 269982a_100102631434_100011216261 [0,2,0,0,0,0|2,0,0]=4 4282 B13R1.132 CN(C)CC(=O)c1ccc(cc1)O 269982a_100102631434_100009814261 [0,2,0,0,0,0|2,0,0]=4 4283 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)C 1458a_100000188618_100000210624 [0,2,0,0,0,0|1,0,0]=3 4284 B13R1.132 Cc1ccc(cc1)C(=O)CC(C)O 1458a_100000188618_100011218427 [0,2,0,0,0,0|1,0,0]=3 4285 B13R1.132 Cc1ccc(cc1)C(=O)CC(F)F 1458a_100000188618_100011934356 [0,2,0,0,0,0|2,0,0]=4 4286 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 2230a_100102631434_100000211441 [0,2,0,0,0,0|2,0,0]=4 4287 B13R1.132 Cc1ccc(cc1)C(=O)CN(C)C 269982a_100102631434_100000211441 [0,2,0,0,0,0|2,0,0]=4 4288 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 11a_100138425928_100000188618 [0,2,0,0,0,0|1,0,0]=3 4289 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 1626a_100138425928_100000188618 [0,2,0,0,0,0|1,0,0]=3 4290 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 240690a_100138425928_100000188618 [0,2,0,0,0,0|1,0,0]=3 4291 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C 527a_100138425928_100000188618 [0,2,0,0,0,0|1,0,0]=3 4292 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C 34a_100000212225_100011261388 [0,2,0,0,0,0|1,0,1]=4 4293 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 34a_100000690690_100000210206 [0,2,0,0,0,0|1,0,1]=4 4294 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 7a_100000690690_100000210206 [0,2,0,0,0,0|1,0,1]=4 4295 B13R1.132 O=C(CC(F)F)c1ccc(cc1)Br 1458a_100000185839_100011934356 [0,2,0,0,0,0|2,0,0]=4 4296 B13R1.132 O=C(CC(F)F)c1ccc(cc1)Cl 1458a_100000210187_100011934356 [0,2,0,0,0,0|2,0,0]=4 4297 B13R1.132 O=C(CC(F)F)c1ccc(cc1)F 1458a_100000187176_100011934356 [0,2,0,0,0,0|2,0,0]=4 4298 B13R1.132 O=C(CC(F)F)c1ccc(cc1)I 1458a_100000187904_100011934356 [0,2,0,0,0,0|2,0,0]=4 4299 B13R1.132 O=C(CC(F)F)c1ccc(cc1)O 1458a_100000212099_100011934356 [0,2,0,0,0,0|2,0,0]=4 4300 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 34a_217856618577_100000210206 [0,2,0,0,0,0|1,0,1]=4 4301 B13R1.132 [2H]C(OC(C)C)c1ccc(cc1)F 7a_217856618577_100000210206 [0,2,0,0,0,0|1,0,1]=4 4302 B13R1.452 C#Cc1ccc(cc1)C(=O)CCC 1458a_100011217615_100000210303 [0,2,0,0,0,0|1,0,0]=3 4303 B13R1.452 C#Cc1ccc(cc1)C(=O)CCF 1458a_100011217615_100011217306 [0,2,0,0,0,0|2,0,0]=4 4304 B13R1.452 C#Cc1ccc(cc1)C(=O)CCO 1458a_100011217615_100000211926 [0,2,0,0,0,0|2,0,0]=4 4305 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 11a_100015525214_100011217615 [0,2,0,0,0,0|1,0,0]=3 4306 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 240690a_100015525214_100011217615 [0,2,0,0,0,0|1,0,0]=3 4307 B13R1.452 C#Cc1ccc(cc1)C(=O)NCC 527a_100015525214_100011217615 [0,2,0,0,0,0|1,0,0]=3 4308 B13R1.452 C#Cc1ccc(cc1)C(=O)NNC 22a_100016993582_100011217615 [0,2,0,0,0,0|2,0,0]=4 4309 B13R1.452 C=Cc1ccc(cc1)C(=O)C#CC 271570a_100011290941_100153741113 [0,2,0,0,0,0|1,0,1]=4 4310 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 1458a_100000687532_100000210303 [0,2,0,0,0,0|1,0,0]=3 4311 B13R1.452 C=Cc1ccc(cc1)C(=O)CCC 271570a_100011290941_100011267722 [0,2,0,0,0,0|1,0,0]=3 4312 B13R1.452 C=Cc1ccc(cc1)C(=O)CCF 1458a_100000687532_100011217306 [0,2,0,0,0,0|2,0,0]=4 4313 B13R1.452 C=Cc1ccc(cc1)C(=O)CCO 1458a_100000687532_100000211926 [0,2,0,0,0,0|2,0,0]=4 4314 B13R1.452 C=Cc1ccc(cc1)C(=O)COC 271570a_100011290941_200011343064 [0,2,0,0,0,0|2,0,0]=4 4315 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 11a_100015525214_100000687532 [0,2,0,0,0,0|1,0,0]=3 4316 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 240690a_100015525214_100000687532 [0,2,0,0,0,0|1,0,0]=3 4317 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 271570a_100011290941_100000155177 [0,2,0,0,0,0|1,0,0]=3 4318 B13R1.452 C=Cc1ccc(cc1)C(=O)NCC 527a_100015525214_100000687532 [0,2,0,0,0,0|1,0,0]=3 4319 B13R1.452 C=Cc1ccc(cc1)C(=O)NNC 22a_100016993582_100000687532 [0,2,0,0,0,0|2,0,0]=4 4320 B13R1.452 C=Cc1ccc(cc1)C(=O)OCC 271570a_100011290941_100000170077 [0,2,0,0,0,0|0,0,0]=2 4321 B13R1.452 C=Cc1ccc(cn1)C(=O)CCC 271570a_100011290941_200012185933 [0,2,0,0,0,0|2,0,0]=4 4322 B13R1.452 C=Cc1ccc(cn1)C(=O)NCC 271570a_100011290941_100000160145 [0,2,0,0,0,0|2,0,0]=4 4323 B13R1.452 C=Cc1ccc(cn1)C(=O)OCC 271570a_100011290941_100000170224 [0,2,0,0,0,0|1,0,0]=3 4324 B13R1.452 C=Cc1ccc(nc1)C(=O)NCC 271570a_100011290941_200011781264 [0,2,0,0,0,0|2,0,0]=4 4325 B13R1.452 C=Cc1ccc(nc1)C(=O)OCC 271570a_100011290941_100011781174 [0,2,0,0,0,0|1,0,0]=3 4326 B13R1.452 C=Cc1ccc(nn1)C(=O)OCC 271570a_100011290941_100011933454 [0,2,0,0,0,0|2,0,0]=4 4327 B13R1.452 C=Cc1cnc(cn1)C(=O)OCC 271570a_100011290941_100000707868 [0,2,0,0,0,0|2,0,0]=4 4328 B13R1.452 C=Cc1cnc(nc1)C(=O)OCC 271570a_100011290941_100010168878 [0,2,0,0,0,0|2,0,0]=4 4329 B13R1.452 C=Cc1ncc(cn1)C(=O)OCC 271570a_100011290941_100011935661 [0,2,0,0,0,0|2,0,0]=4 4330 B13R1.452 CC#CC(=O)c1ccc(cc1)SC 62a_200000210301_100153741113 [0,2,0,0,0,0|1,0,1]=4 4331 B13R1.452 CC#CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100153741113 [0,2,0,0,0,0|1,0,1]=4 4332 B13R1.452 CCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210303 [0,2,0,0,0,0|1,0,0]=3 4333 B13R1.452 CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210303 [0,2,0,0,0,0|1,0,0]=3 4334 B13R1.452 CCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210303 [0,2,0,0,0,0|1,0,0]=3 4335 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,2,0,0,0,0|1,0,0]=3 4336 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 4337 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 4338 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 4339 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 4340 B13R1.452 CCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210303 [0,2,0,0,0,0|1,0,0]=3 4341 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_100011267722_200000210301 [0,2,0,0,0,0|1,0,0]=3 4342 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_200000210301_100011267722 [0,2,0,0,0,0|1,0,0]=3 4343 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_100011267722_200025704644 [0,2,0,0,0,0|1,0,0]=3 4344 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011267722 [0,2,0,0,0,0|1,0,0]=3 4345 B13R1.452 CCCC(=O)c1ccc(nc1)NC 27a_100102657272_200012185933 [0,2,0,0,0,0|2,0,0]=4 4346 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200000210301_200012185933 [0,2,0,0,0,0|2,0,0]=4 4347 B13R1.452 CCCC(=O)c1ccc(nc1)SC 62a_200012185933_200000210301 [0,2,0,0,0,0|2,0,0]=4 4348 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200012185933_200025704644 [0,2,0,0,0,0|2,0,0]=4 4349 B13R1.452 CCCC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_200012185933 [0,2,0,0,0,0|2,0,0]=4 4350 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 11a_100015525214_100000210717 [0,2,0,0,0,0|1,0,0]=3 4351 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 240690a_100015525214_100000210717 [0,2,0,0,0,0|1,0,0]=3 4352 B13R1.452 CCNC(=O)c1ccc(cc1)C#N 527a_100015525214_100000210717 [0,2,0,0,0,0|1,0,0]=3 4353 B13R1.452 CCNC(=O)c1ccc(cc1)CC 11a_100015525214_100000211226 [0,2,0,0,0,0|1,0,0]=3 4354 B13R1.452 CCNC(=O)c1ccc(cc1)CC 240690a_100015525214_100000211226 [0,2,0,0,0,0|1,0,0]=3 4355 B13R1.452 CCNC(=O)c1ccc(cc1)CC 527a_100015525214_100000211226 [0,2,0,0,0,0|1,0,0]=3 4356 B13R1.452 CCNC(=O)c1ccc(cc1)CO 240690a_100015525214_100000183892 [0,2,0,0,0,0|1,0,0]=3 4357 B13R1.452 CCNC(=O)c1ccc(cc1)NC 2230a_100000741011_200000210301 [0,2,0,0,0,0|1,0,0]=3 4358 B13R1.452 CCNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155177 [0,2,0,0,0,0|1,0,0]=3 4359 B13R1.452 CCNC(=O)c1ccc(cc1)NC 34a_100000741011_200000210301 [0,2,0,0,0,0|1,0,0]=3 4360 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000741011_200025704644 [0,2,0,0,0,0|1,0,0]=3 4361 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000741011_200025704644 [0,2,0,0,0,0|1,0,0]=3 4362 B13R1.452 CCNC(=O)c1ccc(cc1)OC 11a_100015525214_100000184203 [0,2,0,0,0,0|1,0,0]=3 4363 B13R1.452 CCNC(=O)c1ccc(cc1)OC 240690a_100015525214_100000184203 [0,2,0,0,0,0|1,0,0]=3 4364 B13R1.452 CCNC(=O)c1ccc(cc1)OC 527a_100015525214_100000184203 [0,2,0,0,0,0|1,0,0]=3 4365 B13R1.452 CCNC(=O)c1ccc(cc1)SC 11a_100015525214_100000189692 [0,2,0,0,0,0|1,0,0]=3 4366 B13R1.452 CCNC(=O)c1ccc(cc1)SC 240690a_100015525214_100000189692 [0,2,0,0,0,0|1,0,0]=3 4367 B13R1.452 CCNC(=O)c1ccc(cc1)SC 527a_100015525214_100000189692 [0,2,0,0,0,0|1,0,0]=3 4368 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_100000155177_200000210301 [0,2,0,0,0,0|1,0,0]=3 4369 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155177 [0,2,0,0,0,0|1,0,0]=3 4370 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155177_200025704644 [0,2,0,0,0,0|1,0,0]=3 4371 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155177 [0,2,0,0,0,0|1,0,0]=3 4372 B13R1.452 CCNC(=O)c1ccc(cn1)NC 27a_100102657272_200011781264 [0,2,0,0,0,0|2,0,0]=4 4373 B13R1.452 CCNC(=O)c1ccc(cn1)SC 62a_200000210301_200011781264 [0,2,0,0,0,0|2,0,0]=4 4374 B13R1.452 CCNC(=O)c1ccc(cn1)SC 62a_200011781264_200000210301 [0,2,0,0,0,0|2,0,0]=4 4375 B13R1.452 CCNC(=O)c1ccc(cn1)S[13CH3] 62a_200011781264_200025704644 [0,2,0,0,0,0|2,0,0]=4 4376 B13R1.452 CCNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_200011781264 [0,2,0,0,0,0|2,0,0]=4 4377 B13R1.452 CCNC(=O)c1ccc(nc1)NC 27a_100102657272_100000160145 [0,2,0,0,0,0|2,0,0]=4 4378 B13R1.452 CCNC(=O)c1ccc(nc1)SC 62a_100000160145_200000210301 [0,2,0,0,0,0|2,0,0]=4 4379 B13R1.452 CCNC(=O)c1ccc(nc1)SC 62a_200000210301_100000160145 [0,2,0,0,0,0|2,0,0]=4 4380 B13R1.452 CCNC(=O)c1ccc(nc1)S[13CH3] 62a_100000160145_200025704644 [0,2,0,0,0,0|2,0,0]=4 4381 B13R1.452 CCNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000160145 [0,2,0,0,0,0|2,0,0]=4 4382 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,2,0,0,0,0|0,0,0]=2 4383 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,2,0,0,0,0|0,0,0]=2 4384 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,2,0,0,0,0|0,0,0]=2 4385 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,2,0,0,0,0|0,0,0]=2 4386 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [0,2,0,0,0,0|0,0,0]=2 4387 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [0,2,0,0,0,0|0,0,0]=2 4388 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [0,2,0,0,0,0|0,0,0]=2 4389 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [0,2,0,0,0,0|0,0,0]=2 4390 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_100011781174_200000210301 [0,2,0,0,0,0|1,0,0]=3 4391 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_200000210301_100011781174 [0,2,0,0,0,0|1,0,0]=3 4392 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_100011781174_200025704644 [0,2,0,0,0,0|1,0,0]=3 4393 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781174 [0,2,0,0,0,0|1,0,0]=3 4394 B13R1.452 CCOC(=O)c1ccc(nc1)NC 27a_100102657272_100000170224 [0,2,0,0,0,0|1,0,0]=3 4395 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_100011291635_200000210301 [0,2,0,0,0,0|1,0,0]=3 4396 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_200000210301_100000170224 [0,2,0,0,0,0|1,0,0]=3 4397 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_100011291635_200025704644 [0,2,0,0,0,0|1,0,0]=3 4398 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000170224 [0,2,0,0,0,0|1,0,0]=3 4399 B13R1.452 CCOC(=O)c1ccc(nn1)NC 27a_100102657272_100011933454 [0,2,0,0,0,0|2,0,0]=4 4400 B13R1.452 CCOC(=O)c1ccc(nn1)SC 62a_200000210301_100011933454 [0,2,0,0,0,0|2,0,0]=4 4401 B13R1.452 CCOC(=O)c1ccc(nn1)S[13CH3] 62a_200025704644_100011933454 [0,2,0,0,0,0|2,0,0]=4 4402 B13R1.452 CCOC(=O)c1cnc(cn1)NC 27a_100102657272_100000707868 [0,2,0,0,0,0|2,0,0]=4 4403 B13R1.452 CCOC(=O)c1cnc(cn1)SC 62a_100000707868_200000210301 [0,2,0,0,0,0|2,0,0]=4 4404 B13R1.452 CCOC(=O)c1cnc(cn1)SC 62a_200000210301_100000707868 [0,2,0,0,0,0|2,0,0]=4 4405 B13R1.452 CCOC(=O)c1cnc(cn1)S[13CH3] 62a_100000707868_200025704644 [0,2,0,0,0,0|2,0,0]=4 4406 B13R1.452 CCOC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100000707868 [0,2,0,0,0,0|2,0,0]=4 4407 B13R1.452 CCOC(=O)c1cnc(nc1)NC 27a_100102657272_100011935661 [0,2,0,0,0,0|2,0,0]=4 4408 B13R1.452 CCOC(=O)c1cnc(nc1)SC 62a_200000210301_100011935661 [0,2,0,0,0,0|2,0,0]=4 4409 B13R1.452 CCOC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100011935661 [0,2,0,0,0,0|2,0,0]=4 4410 B13R1.452 CCOC(=O)c1ncc(cn1)SC 62a_100010168878_200000210301 [0,2,0,0,0,0|2,0,0]=4 4411 B13R1.452 CCOC(=O)c1ncc(cn1)SC 62a_200000210301_100010168878 [0,2,0,0,0,0|2,0,0]=4 4412 B13R1.452 CCOC(=O)c1ncc(cn1)S[13CH3] 62a_100010168878_200025704644 [0,2,0,0,0,0|2,0,0]=4 4413 B13R1.452 CCOC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010168878 [0,2,0,0,0,0|2,0,0]=4 4414 B13R1.452 CCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210202 [0,2,0,0,0,0|1,0,1]=4 4415 B13R1.452 CCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210202 [0,2,0,0,0,0|1,0,1]=4 4416 B13R1.452 CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210202 [0,2,0,0,0,0|1,0,1]=4 4417 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|1,0,1]=4 4418 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|1,0,1]=4 4419 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210202 [0,2,0,0,0,0|1,0,1]=4 4420 B13R1.452 CCO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210202 [0,2,0,0,0,0|1,0,1]=4 4421 B13R1.452 CCc1ccc(cc1)C(=O)CCF 1458a_100000211226_100011217306 [0,2,0,0,0,0|2,0,0]=4 4422 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,2,0,0,0,0|2,0,0]=4 4423 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,2,0,0,0,0|2,0,0]=4 4424 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,2,0,0,0,0|2,0,0]=4 4425 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_100000689809_200000210301 [0,2,0,0,0,0|2,0,0]=4 4426 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_200000210301_100000689809 [0,2,0,0,0,0|2,0,0]=4 4427 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_100000689809_200025704644 [0,2,0,0,0,0|2,0,0]=4 4428 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000689809 [0,2,0,0,0,0|2,0,0]=4 4429 B13R1.452 CCc1ccc(cc1)C(=O)NNC 22a_100016993582_100000211226 [0,2,0,0,0,0|2,0,0]=4 4430 B13R1.452 CNCC(=O)c1ccc(cc1)C#N 2230a_106832991635_100000212069 [0,2,0,0,0,0|2,0,0]=4 4431 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,2,0,0,0,0|2,0,0]=4 4432 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,2,0,0,0,0|2,0,0]=4 4433 B13R1.452 CNCC(=O)c1ccc(cc1)SC 2230a_106832991635_100011216809 [0,2,0,0,0,0|2,0,0]=4 4434 B13R1.452 CNCC(=O)c1ccc(cc1)SC 34a_100102657272_100011216809 [0,2,0,0,0,0|2,0,0]=4 4435 B13R1.452 CNNC(=O)c1ccc(cc1)C#N 22a_100016993582_100000210717 [0,2,0,0,0,0|2,0,0]=4 4436 B13R1.452 CNNC(=O)c1ccc(cc1)CO 22a_100016993582_100000183892 [0,2,0,0,0,0|2,0,0]=4 4437 B13R1.452 CNNC(=O)c1ccc(cc1)OC 22a_100016993582_100000184203 [0,2,0,0,0,0|2,0,0]=4 4438 B13R1.452 CNNC(=O)c1ccc(cc1)SC 22a_100016993582_100000189692 [0,2,0,0,0,0|2,0,0]=4 4439 B13R1.452 COCC(=O)c1ccc(cc1)C#N 34a_100011592799_200000210301 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,2,0,0,0,0|2,0,0]=4 4441 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,2,0,0,0,0|2,0,0]=4 4442 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,2,0,0,0,0|2,0,0]=4 4443 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,2,0,0,0,0|2,0,0]=4 4444 B13R1.452 COCC(=O)c1ccc(cc1)SC 34a_100138415774_100011216809 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.452 COCC(=O)c1ccc(cc1)SC 62a_200011343064_200000210301 [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.452 COCC(=O)c1ccc(cc1)S[13CH3] 62a_200011343064_200025704644 [0,2,0,0,0,0|2,0,0]=4 4447 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,2,0,0,0,0|2,0,0]=4 4448 B13R1.452 COc1ccc(cc1)C(=O)CCF 1458a_100000184203_100011217306 [0,2,0,0,0,0|2,0,0]=4 4449 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|2,0,0]=4 4450 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,2,0,0,0,0|2,0,0]=4 4451 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,2,0,0,0,0|2,0,0]=4 4452 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,2,0,0,0,0|2,0,0]=4 4453 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,2,0,0,0,0|2,0,0]=4 4454 B13R1.452 CSCC(=O)c1ccc(cc1)C#N 62a_100000212069_200000210301 [0,2,0,0,0,0|2,0,0]=4 4455 B13R1.452 CSCC(=O)c1ccc(cc1)C#N 62a_200000210301_100000212069 [0,2,0,0,0,0|2,0,0]=4 4456 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_100011216809_200000210301 [0,2,0,0,0,0|2,0,0]=4 4457 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_200000210301_100011216809 [0,2,0,0,0,0|2,0,0]=4 4458 B13R1.452 CSc1ccc(cc1)C(=O)CCF 1458a_100000189692_100011217306 [0,2,0,0,0,0|2,0,0]=4 4459 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,2,0,0,0,0|2,0,0]=4 4460 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_100011216809_200025704644 [0,2,0,0,0,0|2,0,0]=4 4461 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100011216809 [0,2,0,0,0,0|2,0,0]=4 4462 B13R1.452 N#Cc1ccc(cc1)C(=O)CCF 1458a_100000210717_100011217306 [0,2,0,0,0,0|2,0,0]=4 4463 B13R1.452 N#Cc1ccc(cc1)C(=O)CCO 1458a_100000210717_100000211926 [0,2,0,0,0,0|2,0,0]=4 4464 B13R1.452 O=C(CCF)c1ccc(cc1)CO 1458a_100000183892_100011217306 [0,2,0,0,0,0|2,0,0]=4 4465 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,2,0,0,0,0|2,0,0]=4 4466 B13R1.452 [13CH3]OCC(=O)c1ccc(cc1)C#N 34a_100011592799_200025704644 [0,2,0,0,0,0|2,0,0]=4 4467 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,2,0,0,0,0|2,0,0]=4 4468 B13R1.452 [13CH3]SCC(=O)c1ccc(cc1)C#N 62a_100000212069_200025704644 [0,2,0,0,0,0|2,0,0]=4 4469 B13R1.452 [13CH3]SCC(=O)c1ccc(cc1)C#N 62a_200025704644_100000212069 [0,2,0,0,0,0|2,0,0]=4 4470 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210303 [0,2,0,0,0,0|1,0,0]=3 4471 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210303 [0,2,0,0,0,0|1,0,0]=3 4472 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210303 [0,2,0,0,0,0|1,0,0]=3 4473 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210303 [0,2,0,0,0,0|1,0,0]=3 4474 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210303 [0,2,0,0,0,0|1,0,0]=3 4475 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [0,2,0,0,0,0|1,0,0]=3 4476 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210303 [0,2,0,0,0,0|1,0,0]=3 4477 B13R1.466 CCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210303 [0,2,0,0,0,0|1,0,0]=3 4478 B13R1.466 CCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210303 [0,2,0,0,0,0|1,0,0]=3 4479 B13R1.466 CCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210303 [0,2,0,0,0,0|1,0,0]=3 4480 B13R1.466 CCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210303 [0,2,0,0,0,0|1,0,0]=3 4481 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [0,2,0,0,0,0|1,0,0]=3 4482 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [0,2,0,0,0,0|1,0,0]=3 4483 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210303 [0,2,0,0,0,0|1,0,0]=3 4484 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210303 [0,2,0,0,0,0|1,0,0]=3 4485 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210303 [0,2,0,0,0,0|1,0,0]=3 4486 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210303 [0,2,0,0,0,0|1,0,0]=3 4487 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210303 [0,2,0,0,0,0|1,0,0]=3 4488 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [0,2,0,0,0,0|1,0,0]=3 4489 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210303 [0,2,0,0,0,0|1,0,0]=3 4490 B13R1.466 CCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210303 [0,2,0,0,0,0|1,0,0]=3 4491 B13R1.466 CCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210303 [0,2,0,0,0,0|1,0,0]=3 4492 B13R1.466 CCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210303 [0,2,0,0,0,0|1,0,0]=3 4493 B13R1.466 CCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210303 [0,2,0,0,0,0|1,0,0]=3 4494 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [0,2,0,0,0,0|1,0,0]=3 4495 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210303 [0,2,0,0,0,0|1,0,0]=3 4496 B13R1.466 CCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210303 [0,2,0,0,0,0|1,0,0]=3 4497 B13R1.466 CCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210303 [0,2,0,0,0,0|1,0,0]=3 4498 B13R1.466 CCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210303 [0,2,0,0,0,0|1,0,0]=3 4499 B13R1.466 CCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210303 [0,2,0,0,0,0|1,0,0]=3 4500 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [0,2,0,0,0,0|1,0,0]=3 4501 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [0,2,0,0,0,0|1,0,0]=3 4502 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [0,2,0,0,0,0|1,0,0]=3 4503 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [0,2,0,0,0,0|1,0,0]=3 4504 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [0,2,0,0,0,0|1,0,0]=3 4505 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [0,2,0,0,0,0|1,0,0]=3 4506 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,2,0,0,0,0|1,0,0]=3 4507 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 11a_100015525214_100012339404 [0,2,0,0,0,0|1,0,0]=3 4508 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 240690a_100015525214_100012339404 [0,2,0,0,0,0|1,0,0]=3 4509 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Br 527a_100015525214_100012339404 [0,2,0,0,0,0|1,0,0]=3 4510 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 11a_100015525214_100000186397 [0,2,0,0,0,0|1,0,0]=3 4511 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 240690a_100015525214_100000186397 [0,2,0,0,0,0|1,0,0]=3 4512 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)C 527a_100015525214_100000186397 [0,2,0,0,0,0|1,0,0]=3 4513 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 11a_100015525214_100000691181 [0,2,0,0,0,0|1,0,0]=3 4514 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100015525214_100000691181 [0,2,0,0,0,0|1,0,0]=3 4515 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)Cl 527a_100015525214_100000691181 [0,2,0,0,0,0|1,0,0]=3 4516 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 11a_100015525214_100000760357 [0,2,0,0,0,0|1,0,0]=3 4517 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 240690a_100015525214_100000760357 [0,2,0,0,0,0|1,0,0]=3 4518 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)F 527a_100015525214_100000760357 [0,2,0,0,0,0|1,0,0]=3 4519 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 11a_100015525214_100000739115 [0,2,0,0,0,0|1,0,0]=3 4520 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 240690a_100015525214_100000739115 [0,2,0,0,0,0|1,0,0]=3 4521 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)I 527a_100015525214_100000739115 [0,2,0,0,0,0|1,0,0]=3 4522 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O 240690a_100015525214_100000189672 [0,2,0,0,0,0|1,0,0]=3 4523 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 11a_100015525214_100000692631 [0,2,0,0,0,0|1,0,0]=3 4524 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 240690a_100015525214_100000692631 [0,2,0,0,0,0|1,0,0]=3 4525 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Br 527a_100015525214_100000692631 [0,2,0,0,0,0|1,0,0]=3 4526 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 11a_100015525214_100000210898 [0,2,0,0,0,0|1,0,0]=3 4527 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 240690a_100015525214_100000210898 [0,2,0,0,0,0|1,0,0]=3 4528 B13R1.466 CCNC(=O)c1ccc(c(c1)C)C 527a_100015525214_100000210898 [0,2,0,0,0,0|1,0,0]=3 4529 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 11a_100015525214_100000686306 [0,2,0,0,0,0|1,0,0]=3 4530 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 240690a_100015525214_100000686306 [0,2,0,0,0,0|1,0,0]=3 4531 B13R1.466 CCNC(=O)c1ccc(c(c1)C)Cl 527a_100015525214_100000686306 [0,2,0,0,0,0|1,0,0]=3 4532 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 11a_100015525214_100000751819 [0,2,0,0,0,0|1,0,0]=3 4533 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 240690a_100015525214_100000751819 [0,2,0,0,0,0|1,0,0]=3 4534 B13R1.466 CCNC(=O)c1ccc(c(c1)C)F 527a_100015525214_100000751819 [0,2,0,0,0,0|1,0,0]=3 4535 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 11a_100015525214_100000751300 [0,2,0,0,0,0|1,0,0]=3 4536 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 240690a_100015525214_100000751300 [0,2,0,0,0,0|1,0,0]=3 4537 B13R1.466 CCNC(=O)c1ccc(c(c1)C)I 527a_100015525214_100000751300 [0,2,0,0,0,0|1,0,0]=3 4538 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 240690a_100015525214_100000685612 [0,2,0,0,0,0|1,0,0]=3 4539 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357431 [0,2,0,0,0,0|1,0,0]=3 4540 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 11a_100015525214_100000687082 [0,2,0,0,0,0|1,0,0]=3 4541 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100015525214_100000687082 [0,2,0,0,0,0|1,0,0]=3 4542 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Br 527a_100015525214_100000687082 [0,2,0,0,0,0|1,0,0]=3 4543 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 11a_100015525214_100000751740 [0,2,0,0,0,0|1,0,0]=3 4544 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 240690a_100015525214_100000751740 [0,2,0,0,0,0|1,0,0]=3 4545 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)C 527a_100015525214_100000751740 [0,2,0,0,0,0|1,0,0]=3 4546 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100015525214_100000210401 [0,2,0,0,0,0|1,0,0]=3 4547 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100015525214_100000210401 [0,2,0,0,0,0|1,0,0]=3 4548 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100015525214_100000210401 [0,2,0,0,0,0|1,0,0]=3 4549 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 11a_100015525214_100000686462 [0,2,0,0,0,0|1,0,0]=3 4550 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 240690a_100015525214_100000686462 [0,2,0,0,0,0|1,0,0]=3 4551 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)F 527a_100015525214_100000686462 [0,2,0,0,0,0|1,0,0]=3 4552 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 11a_100015525214_100000684831 [0,2,0,0,0,0|1,0,0]=3 4553 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 240690a_100015525214_100000684831 [0,2,0,0,0,0|1,0,0]=3 4554 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)I 527a_100015525214_100000684831 [0,2,0,0,0,0|1,0,0]=3 4555 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100015525214_100000212196 [0,2,0,0,0,0|1,0,0]=3 4556 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 527a_100015525214_100000212196 [0,2,0,0,0,0|1,0,0]=3 4557 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 11a_100015525214_100000743946 [0,2,0,0,0,0|1,0,0]=3 4558 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 240690a_100015525214_100000743946 [0,2,0,0,0,0|1,0,0]=3 4559 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Br 527a_100015525214_100000743946 [0,2,0,0,0,0|1,0,0]=3 4560 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 11a_100015525214_100000212313 [0,2,0,0,0,0|1,0,0]=3 4561 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 240690a_100015525214_100000212313 [0,2,0,0,0,0|1,0,0]=3 4562 B13R1.466 CCNC(=O)c1ccc(c(c1)F)C 527a_100015525214_100000212313 [0,2,0,0,0,0|1,0,0]=3 4563 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 11a_100015525214_100000743183 [0,2,0,0,0,0|1,0,0]=3 4564 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 240690a_100015525214_100000743183 [0,2,0,0,0,0|1,0,0]=3 4565 B13R1.466 CCNC(=O)c1ccc(c(c1)F)Cl 527a_100015525214_100000743183 [0,2,0,0,0,0|1,0,0]=3 4566 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 11a_100015525214_100000209822 [0,2,0,0,0,0|1,0,0]=3 4567 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 240690a_100015525214_100000209822 [0,2,0,0,0,0|1,0,0]=3 4568 B13R1.466 CCNC(=O)c1ccc(c(c1)F)F 527a_100015525214_100000209822 [0,2,0,0,0,0|1,0,0]=3 4569 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 11a_100015525214_100000062624 [0,2,0,0,0,0|1,0,0]=3 4570 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 240690a_100015525214_100000062624 [0,2,0,0,0,0|1,0,0]=3 4571 B13R1.466 CCNC(=O)c1ccc(c(c1)F)I 527a_100015525214_100000062624 [0,2,0,0,0,0|1,0,0]=3 4572 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 240690a_100015525214_100000185466 [0,2,0,0,0,0|1,0,0]=3 4573 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 527a_100015525214_100000185466 [0,2,0,0,0,0|1,0,0]=3 4574 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 11a_100015525214_100012343876 [0,2,0,0,0,0|1,0,0]=3 4575 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 240690a_100015525214_100012343876 [0,2,0,0,0,0|1,0,0]=3 4576 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Br 527a_100015525214_100012343876 [0,2,0,0,0,0|1,0,0]=3 4577 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 11a_100015525214_100000751299 [0,2,0,0,0,0|1,0,0]=3 4578 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 240690a_100015525214_100000751299 [0,2,0,0,0,0|1,0,0]=3 4579 B13R1.466 CCNC(=O)c1ccc(c(c1)I)C 527a_100015525214_100000751299 [0,2,0,0,0,0|1,0,0]=3 4580 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 11a_100015525214_100000739381 [0,2,0,0,0,0|1,0,0]=3 4581 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 240690a_100015525214_100000739381 [0,2,0,0,0,0|1,0,0]=3 4582 B13R1.466 CCNC(=O)c1ccc(c(c1)I)Cl 527a_100015525214_100000739381 [0,2,0,0,0,0|1,0,0]=3 4583 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 11a_100015525214_100000688015 [0,2,0,0,0,0|1,0,0]=3 4584 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 240690a_100015525214_100000688015 [0,2,0,0,0,0|1,0,0]=3 4585 B13R1.466 CCNC(=O)c1ccc(c(c1)I)F 527a_100015525214_100000688015 [0,2,0,0,0,0|1,0,0]=3 4586 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 11a_100015525214_100000725830 [0,2,0,0,0,0|1,0,0]=3 4587 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 240690a_100015525214_100000725830 [0,2,0,0,0,0|1,0,0]=3 4588 B13R1.466 CCNC(=O)c1ccc(c(c1)I)I 527a_100015525214_100000725830 [0,2,0,0,0,0|1,0,0]=3 4589 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O 240690a_100015525214_100000037485 [0,2,0,0,0,0|1,0,0]=3 4590 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 240690a_100015525214_100000689001 [0,2,0,0,0,0|1,0,0]=3 4591 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 527a_100015525214_100000689001 [0,2,0,0,0,0|1,0,0]=3 4592 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C 240690a_100015525214_100000233767 [0,2,0,0,0,0|1,0,0]=3 4593 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100015525214_100011933997 [0,2,0,0,0,0|1,0,0]=3 4594 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 527a_100015525214_100011933997 [0,2,0,0,0,0|1,0,0]=3 4595 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 240690a_100015525214_100000035894 [0,2,0,0,0,0|1,0,0]=3 4596 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359900 [0,2,0,0,0,0|1,0,0]=3 4597 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 527a_100015525214_100000035894 [0,2,0,0,0,0|1,0,0]=3 4598 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 240690a_100015525214_100000239334 [0,2,0,0,0,0|1,0,0]=3 4599 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 527a_100015525214_100000239334 [0,2,0,0,0,0|1,0,0]=3 4600 B13R1.466 CCOC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100009880029 [0,2,0,0,0,0|1,0,0]=3 4601 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294787 [0,2,0,0,0,0|0,0,0]=2 4602 B13R1.466 CCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100012229600 [0,2,0,0,0,0|0,0,0]=2 4603 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_200012351148 [0,2,0,0,0,0|0,0,0]=2 4604 B13R1.466 CCOC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011533738 [0,2,0,0,0,0|0,0,0]=2 4605 B13R1.466 CCOC(=O)c1ccc(c(c1)N)O 271570a_203496583355_200011450955 [0,2,0,0,0,0|0,0,0]=2 4606 B13R1.466 CCOC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100012359631 [0,2,0,0,0,0|0,0,0]=2 4607 B13R1.466 CCOC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011934563 [0,2,0,0,0,0|0,0,0]=2 4608 B13R1.466 CCOC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100161115259 [0,2,0,0,0,0|0,0,0]=2 4609 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [0,2,0,0,0,0|0,0,0]=2 4610 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [0,2,0,0,0,0|0,0,0]=2 4611 B13R1.466 CCOC(=O)c1ccc(c(n1)O)C 271570a_203496583355_200009853511 [0,2,0,0,0,0|1,0,0]=3 4612 B13R1.466 CCOC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189761 [0,2,0,0,0,0|1,0,0]=3 4613 B13R1.466 CCOC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816805 [0,2,0,0,0,0|1,0,0]=3 4614 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010004467 [0,2,0,0,0,0|1,0,0]=3 4615 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010179890 [0,2,0,0,0,0|1,0,0]=3 4616 B13R1.466 CCOC(C)c1ccc(c(c1)Br)F 34a_100011191524_100000210202 [0,2,0,0,0,0|1,0,1]=4 4617 B13R1.466 CCOC(C)c1ccc(c(c1)Br)F 7a_100011191524_100000210202 [0,2,0,0,0,0|1,0,1]=4 4618 B13R1.466 CCOC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_100000210202 [0,2,0,0,0,0|1,0,1]=4 4619 B13R1.466 CCOC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_100000210202 [0,2,0,0,0,0|1,0,1]=4 4620 B13R1.466 CCOC(C)c1ccc(c(c1)F)Cl 34a_100011944057_100000210202 [0,2,0,0,0,0|1,0,1]=4 4621 B13R1.466 CCOC(C)c1ccc(c(c1)F)Cl 7a_100011944057_100000210202 [0,2,0,0,0,0|1,0,1]=4 4622 B13R1.466 CCOC(C)c1ccc(c(c1)F)F 34a_100000246517_100000210202 [0,2,0,0,0,0|1,0,1]=4 4623 B13R1.466 CCOC(C)c1ccc(c(c1)F)F 7a_100000246517_100000210202 [0,2,0,0,0,0|1,0,1]=4 4624 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 2230a_106832991635_100012346676 [0,2,0,0,0,0|2,0,0]=4 4625 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 34a_100102657272_100012346676 [0,2,0,0,0,0|2,0,0]=4 4626 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)C 7a_106832991635_100012346676 [0,2,0,0,0,0|2,0,0]=4 4627 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 2230a_106832991635_100011217175 [0,2,0,0,0,0|2,0,0]=4 4628 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 34a_100102657272_100011217175 [0,2,0,0,0,0|2,0,0]=4 4629 B13R1.466 CNCC(=O)c1ccc(c(c1)Br)F 7a_106832991635_100011217175 [0,2,0,0,0,0|2,0,0]=4 4630 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 2230a_106832991635_100000183365 [0,2,0,0,0,0|2,0,0]=4 4631 B13R1.466 CNCC(=O)c1ccc(c(c1)C)C 7a_106832991635_100000183365 [0,2,0,0,0,0|2,0,0]=4 4632 B13R1.466 CNCC(=O)c1ccc(c(c1)C)Cl 7a_106832991635_200011216723 [0,2,0,0,0,0|2,0,0]=4 4633 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 2230a_106832991635_200012349649 [0,2,0,0,0,0|2,0,0]=4 4634 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Br 34a_100102657272_200012349649 [0,2,0,0,0,0|2,0,0]=4 4635 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_106832991635_100000211430 [0,2,0,0,0,0|2,0,0]=4 4636 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991635_100000211430 [0,2,0,0,0,0|2,0,0]=4 4637 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 2230a_106832991635_100000757878 [0,2,0,0,0,0|2,0,0]=4 4638 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 34a_100102657272_100000757878 [0,2,0,0,0,0|2,0,0]=4 4639 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)F 7a_106832991635_100000757878 [0,2,0,0,0,0|2,0,0]=4 4640 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [0,2,0,0,0,0|2,0,0]=4 4641 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 2230a_106832991635_100012361357 [0,2,0,0,0,0|2,0,0]=4 4642 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 34a_100102657272_100012361357 [0,2,0,0,0,0|2,0,0]=4 4643 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Br 7a_106832991635_100012361357 [0,2,0,0,0,0|2,0,0]=4 4644 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 2230a_106832991635_100011219196 [0,2,0,0,0,0|2,0,0]=4 4645 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 34a_100102657272_100011219196 [0,2,0,0,0,0|2,0,0]=4 4646 B13R1.466 CNCC(=O)c1ccc(c(c1)F)C 7a_106832991635_100011219196 [0,2,0,0,0,0|2,0,0]=4 4647 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 2230a_106832991635_100012351892 [0,2,0,0,0,0|2,0,0]=4 4648 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 34a_100102657272_100012351892 [0,2,0,0,0,0|2,0,0]=4 4649 B13R1.466 CNCC(=O)c1ccc(c(c1)F)Cl 7a_106832991635_100012351892 [0,2,0,0,0,0|2,0,0]=4 4650 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 2230a_106832991635_100000183380 [0,2,0,0,0,0|2,0,0]=4 4651 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 34a_100102657272_100000183380 [0,2,0,0,0,0|2,0,0]=4 4652 B13R1.466 CNCC(=O)c1ccc(c(c1)F)F 7a_106832991635_100000183380 [0,2,0,0,0,0|2,0,0]=4 4653 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,2,0,0,0,0|2,0,0]=4 4654 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)Br 22a_100016993582_100012339404 [0,2,0,0,0,0|2,0,0]=4 4655 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)C 22a_100016993582_100000186397 [0,2,0,0,0,0|2,0,0]=4 4656 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)Cl 22a_100016993582_100000691181 [0,2,0,0,0,0|2,0,0]=4 4657 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)F 22a_100016993582_100000760357 [0,2,0,0,0,0|2,0,0]=4 4658 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)I 22a_100016993582_100000739115 [0,2,0,0,0,0|2,0,0]=4 4659 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [0,2,0,0,0,0|2,0,0]=4 4660 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Br 22a_100016993582_100000692631 [0,2,0,0,0,0|2,0,0]=4 4661 B13R1.466 CNNC(=O)c1ccc(c(c1)C)C 22a_100016993582_100000210898 [0,2,0,0,0,0|2,0,0]=4 4662 B13R1.466 CNNC(=O)c1ccc(c(c1)C)Cl 22a_100016993582_100000686306 [0,2,0,0,0,0|2,0,0]=4 4663 B13R1.466 CNNC(=O)c1ccc(c(c1)C)F 22a_100016993582_100000751819 [0,2,0,0,0,0|2,0,0]=4 4664 B13R1.466 CNNC(=O)c1ccc(c(c1)C)I 22a_100016993582_100000751300 [0,2,0,0,0,0|2,0,0]=4 4665 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [0,2,0,0,0,0|2,0,0]=4 4666 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)Br 22a_100016993582_100000687082 [0,2,0,0,0,0|2,0,0]=4 4667 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)C 22a_100016993582_100000751740 [0,2,0,0,0,0|2,0,0]=4 4668 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)Cl 22a_100016993582_100000210401 [0,2,0,0,0,0|2,0,0]=4 4669 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)F 22a_100016993582_100000686462 [0,2,0,0,0,0|2,0,0]=4 4670 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)I 22a_100016993582_100000684831 [0,2,0,0,0,0|2,0,0]=4 4671 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [0,2,0,0,0,0|2,0,0]=4 4672 B13R1.466 CNNC(=O)c1ccc(c(c1)F)Br 22a_100016993582_100000743946 [0,2,0,0,0,0|2,0,0]=4 4673 B13R1.466 CNNC(=O)c1ccc(c(c1)F)C 22a_100016993582_100000212313 [0,2,0,0,0,0|2,0,0]=4 4674 B13R1.466 CNNC(=O)c1ccc(c(c1)F)Cl 22a_100016993582_100000743183 [0,2,0,0,0,0|2,0,0]=4 4675 B13R1.466 CNNC(=O)c1ccc(c(c1)F)F 22a_100016993582_100000209822 [0,2,0,0,0,0|2,0,0]=4 4676 B13R1.466 CNNC(=O)c1ccc(c(c1)F)I 22a_100016993582_100000062624 [0,2,0,0,0,0|2,0,0]=4 4677 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [0,2,0,0,0,0|2,0,0]=4 4678 B13R1.466 CNNC(=O)c1ccc(c(c1)I)Br 22a_100016993582_100012343876 [0,2,0,0,0,0|2,0,0]=4 4679 B13R1.466 CNNC(=O)c1ccc(c(c1)I)C 22a_100016993582_100000751299 [0,2,0,0,0,0|2,0,0]=4 4680 B13R1.466 CNNC(=O)c1ccc(c(c1)I)Cl 22a_100016993582_100000739381 [0,2,0,0,0,0|2,0,0]=4 4681 B13R1.466 CNNC(=O)c1ccc(c(c1)I)F 22a_100016993582_100000688015 [0,2,0,0,0,0|2,0,0]=4 4682 B13R1.466 CNNC(=O)c1ccc(c(c1)I)I 22a_100016993582_100000725830 [0,2,0,0,0,0|2,0,0]=4 4683 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [0,2,0,0,0,0|2,0,0]=4 4684 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [0,2,0,0,0,0|2,0,0]=4 4685 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [0,2,0,0,0,0|2,0,0]=4 4686 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [0,2,0,0,0,0|2,0,0]=4 4687 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [0,2,0,0,0,0|2,0,0]=4 4688 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [0,2,0,0,0,0|2,0,0]=4 4689 B13R1.466 COCC(=O)c1ccc(c(c1)Br)C 34a_100138415774_100012346676 [0,2,0,0,0,0|2,0,0]=4 4690 B13R1.466 COCC(=O)c1ccc(c(c1)Br)F 34a_100138415774_100011217175 [0,2,0,0,0,0|2,0,0]=4 4691 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Br 34a_100138415774_200012349649 [0,2,0,0,0,0|2,0,0]=4 4692 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200000210301 [0,2,0,0,0,0|2,0,0]=4 4693 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)F 34a_100138415774_100000757878 [0,2,0,0,0,0|2,0,0]=4 4694 B13R1.466 COCC(=O)c1ccc(c(c1)F)Br 34a_100138415774_100012361357 [0,2,0,0,0,0|2,0,0]=4 4695 B13R1.466 COCC(=O)c1ccc(c(c1)F)C 34a_100138415774_100011219196 [0,2,0,0,0,0|2,0,0]=4 4696 B13R1.466 COCC(=O)c1ccc(c(c1)F)Cl 34a_100138415774_100012351892 [0,2,0,0,0,0|2,0,0]=4 4697 B13R1.466 COCC(=O)c1ccc(c(c1)F)F 34a_100138415774_100000183380 [0,2,0,0,0,0|2,0,0]=4 4698 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)C 62a_100012346676_200000210301 [0,2,0,0,0,0|2,0,0]=4 4699 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)C 62a_200000210301_100012346676 [0,2,0,0,0,0|2,0,0]=4 4700 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)F 62a_100011217175_200000210301 [0,2,0,0,0,0|2,0,0]=4 4701 B13R1.466 CSCC(=O)c1ccc(c(c1)Br)F 62a_200000210301_100011217175 [0,2,0,0,0,0|2,0,0]=4 4702 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_100000183365_200000210301 [0,2,0,0,0,0|2,0,0]=4 4703 B13R1.466 CSCC(=O)c1ccc(c(c1)C)C 62a_200000210301_100000183365 [0,2,0,0,0,0|2,0,0]=4 4704 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200000210301_200011216723 [0,2,0,0,0,0|2,0,0]=4 4705 B13R1.466 CSCC(=O)c1ccc(c(c1)C)Cl 62a_200011216723_200000210301 [0,2,0,0,0,0|2,0,0]=4 4706 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Br 62a_200000210301_200012349649 [0,2,0,0,0,0|2,0,0]=4 4707 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Br 62a_200012349649_200000210301 [0,2,0,0,0,0|2,0,0]=4 4708 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000211430_200000210301 [0,2,0,0,0,0|2,0,0]=4 4709 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)Cl 62a_200000210301_100000211430 [0,2,0,0,0,0|2,0,0]=4 4710 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)F 62a_100000757878_200000210301 [0,2,0,0,0,0|2,0,0]=4 4711 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)F 62a_200000210301_100000757878 [0,2,0,0,0,0|2,0,0]=4 4712 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200000210301_200010170092 [0,2,0,0,0,0|2,0,0]=4 4713 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200000210301 [0,2,0,0,0,0|2,0,0]=4 4714 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Br 62a_100012361357_200000210301 [0,2,0,0,0,0|2,0,0]=4 4715 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Br 62a_200000210301_100012361357 [0,2,0,0,0,0|2,0,0]=4 4716 B13R1.466 CSCC(=O)c1ccc(c(c1)F)C 62a_100011219196_200000210301 [0,2,0,0,0,0|2,0,0]=4 4717 B13R1.466 CSCC(=O)c1ccc(c(c1)F)C 62a_200000210301_100011219196 [0,2,0,0,0,0|2,0,0]=4 4718 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Cl 62a_100012351892_200000210301 [0,2,0,0,0,0|2,0,0]=4 4719 B13R1.466 CSCC(=O)c1ccc(c(c1)F)Cl 62a_200000210301_100012351892 [0,2,0,0,0,0|2,0,0]=4 4720 B13R1.466 CSCC(=O)c1ccc(c(c1)F)F 62a_100000183380_200000210301 [0,2,0,0,0,0|2,0,0]=4 4721 B13R1.466 CSCC(=O)c1ccc(c(c1)F)F 62a_200000210301_100000183380 [0,2,0,0,0,0|2,0,0]=4 4722 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [0,2,0,0,0,0|2,0,0]=4 4723 B13R1.466 Cc1cc(ccc1Br)C(=O)CCF 1458a_100000692631_100011217306 [0,2,0,0,0,0|2,0,0]=4 4724 B13R1.466 Cc1cc(ccc1Br)C(=O)CCO 1458a_100000692631_100000211926 [0,2,0,0,0,0|2,0,0]=4 4725 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCF 1458a_100000686306_100011217306 [0,2,0,0,0,0|2,0,0]=4 4726 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCO 1458a_100000686306_100000211926 [0,2,0,0,0,0|2,0,0]=4 4727 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200011216723_200025704644 [0,2,0,0,0,0|2,0,0]=4 4728 B13R1.466 Cc1cc(ccc1Cl)C(=O)CS[13CH3] 62a_200025704644_200011216723 [0,2,0,0,0,0|2,0,0]=4 4729 B13R1.466 Cc1cc(ccc1F)C(=O)CCF 1458a_100000751819_100011217306 [0,2,0,0,0,0|2,0,0]=4 4730 B13R1.466 Cc1cc(ccc1F)C(=O)CCO 1458a_100000751819_100000211926 [0,2,0,0,0,0|2,0,0]=4 4731 B13R1.466 Cc1cc(ccc1I)C(=O)CCF 1458a_100000751300_100011217306 [0,2,0,0,0,0|2,0,0]=4 4732 B13R1.466 Cc1cc(ccc1I)C(=O)CCO 1458a_100000751300_100000211926 [0,2,0,0,0,0|2,0,0]=4 4733 B13R1.466 Cc1cc(ccc1O)C(=O)CCF 1458a_100000685612_100011217306 [0,2,0,0,0,0|2,0,0]=4 4734 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [0,2,0,0,0,0|2,0,0]=4 4735 B13R1.466 Cc1ccc(cc1Br)C(=O)CCF 1458a_100000186397_100011217306 [0,2,0,0,0,0|2,0,0]=4 4736 B13R1.466 Cc1ccc(cc1Br)C(=O)CCO 1458a_100000186397_100000211926 [0,2,0,0,0,0|2,0,0]=4 4737 B13R1.466 Cc1ccc(cc1Br)C(=O)CS[13CH3] 62a_100012346676_200025704644 [0,2,0,0,0,0|2,0,0]=4 4738 B13R1.466 Cc1ccc(cc1Br)C(=O)CS[13CH3] 62a_200025704644_100012346676 [0,2,0,0,0,0|2,0,0]=4 4739 B13R1.466 Cc1ccc(cc1C)C(=O)CCF 1458a_100000210898_100011217306 [0,2,0,0,0,0|2,0,0]=4 4740 B13R1.466 Cc1ccc(cc1C)C(=O)CCO 1458a_100000210898_100000211926 [0,2,0,0,0,0|2,0,0]=4 4741 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_100000183365_200025704644 [0,2,0,0,0,0|2,0,0]=4 4742 B13R1.466 Cc1ccc(cc1C)C(=O)CS[13CH3] 62a_200025704644_100000183365 [0,2,0,0,0,0|2,0,0]=4 4743 B13R1.466 Cc1ccc(cc1Cl)C(=O)CCF 1458a_100000751740_100011217306 [0,2,0,0,0,0|2,0,0]=4 4744 B13R1.466 Cc1ccc(cc1Cl)C(=O)CCO 1458a_100000751740_100000211926 [0,2,0,0,0,0|2,0,0]=4 4745 B13R1.466 Cc1ccc(cc1F)C(=O)CCF 1458a_100000212313_100011217306 [0,2,0,0,0,0|2,0,0]=4 4746 B13R1.466 Cc1ccc(cc1F)C(=O)CCO 1458a_100000212313_100000211926 [0,2,0,0,0,0|2,0,0]=4 4747 B13R1.466 Cc1ccc(cc1F)C(=O)CS[13CH3] 62a_100011219196_200025704644 [0,2,0,0,0,0|2,0,0]=4 4748 B13R1.466 Cc1ccc(cc1F)C(=O)CS[13CH3] 62a_200025704644_100011219196 [0,2,0,0,0,0|2,0,0]=4 4749 B13R1.466 Cc1ccc(cc1I)C(=O)CCF 1458a_100000751299_100011217306 [0,2,0,0,0,0|2,0,0]=4 4750 B13R1.466 Cc1ccc(cc1I)C(=O)CCO 1458a_100000751299_100000211926 [0,2,0,0,0,0|2,0,0]=4 4751 B13R1.466 Cc1ccc(cc1O)C(=O)CCF 1458a_100000233767_100011217306 [0,2,0,0,0,0|2,0,0]=4 4752 B13R1.466 Cc1ccc(cc1O)C(=O)CCO 1458a_100000233767_100000211926 [0,2,0,0,0,0|2,0,0]=4 4753 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)Br 1458a_100012339404_100011217306 [0,2,0,0,0,0|2,0,0]=4 4754 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100011217306 [0,2,0,0,0,0|2,0,0]=4 4755 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)F 1458a_100000760357_100011217306 [0,2,0,0,0,0|2,0,0]=4 4756 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)I 1458a_100000739115_100011217306 [0,2,0,0,0,0|2,0,0]=4 4757 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)O 1458a_100000189672_100011217306 [0,2,0,0,0,0|2,0,0]=4 4758 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100011217306 [0,2,0,0,0,0|2,0,0]=4 4759 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100011217306 [0,2,0,0,0,0|2,0,0]=4 4760 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)F 1458a_100000686462_100011217306 [0,2,0,0,0,0|2,0,0]=4 4761 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)I 1458a_100000684831_100011217306 [0,2,0,0,0,0|2,0,0]=4 4762 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100011217306 [0,2,0,0,0,0|2,0,0]=4 4763 B13R1.466 O=C(CCF)c1ccc(c(c1)F)Br 1458a_100000743946_100011217306 [0,2,0,0,0,0|2,0,0]=4 4764 B13R1.466 O=C(CCF)c1ccc(c(c1)F)Cl 1458a_100000743183_100011217306 [0,2,0,0,0,0|2,0,0]=4 4765 B13R1.466 O=C(CCF)c1ccc(c(c1)F)F 1458a_100000209822_100011217306 [0,2,0,0,0,0|2,0,0]=4 4766 B13R1.466 O=C(CCF)c1ccc(c(c1)F)I 1458a_100000062624_100011217306 [0,2,0,0,0,0|2,0,0]=4 4767 B13R1.466 O=C(CCF)c1ccc(c(c1)F)O 1458a_100000185466_100011217306 [0,2,0,0,0,0|2,0,0]=4 4768 B13R1.466 O=C(CCF)c1ccc(c(c1)I)Br 1458a_100012343876_100011217306 [0,2,0,0,0,0|2,0,0]=4 4769 B13R1.466 O=C(CCF)c1ccc(c(c1)I)Cl 1458a_100000739381_100011217306 [0,2,0,0,0,0|2,0,0]=4 4770 B13R1.466 O=C(CCF)c1ccc(c(c1)I)F 1458a_100000688015_100011217306 [0,2,0,0,0,0|2,0,0]=4 4771 B13R1.466 O=C(CCF)c1ccc(c(c1)I)I 1458a_100000725830_100011217306 [0,2,0,0,0,0|2,0,0]=4 4772 B13R1.466 O=C(CCF)c1ccc(c(c1)I)O 1458a_100000037485_100011217306 [0,2,0,0,0,0|2,0,0]=4 4773 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Br 1458a_100000689001_100011217306 [0,2,0,0,0,0|2,0,0]=4 4774 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011217306 [0,2,0,0,0,0|2,0,0]=4 4775 B13R1.466 O=C(CCF)c1ccc(c(c1)O)F 1458a_100000035894_100011217306 [0,2,0,0,0,0|2,0,0]=4 4776 B13R1.466 O=C(CCF)c1ccc(c(c1)O)I 1458a_100000239334_100011217306 [0,2,0,0,0,0|2,0,0]=4 4777 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [0,2,0,0,0,0|2,0,0]=4 4778 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Br 1458a_100012339404_100000211926 [0,2,0,0,0,0|2,0,0]=4 4779 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000211926 [0,2,0,0,0,0|2,0,0]=4 4780 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)F 1458a_100000760357_100000211926 [0,2,0,0,0,0|2,0,0]=4 4781 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)I 1458a_100000739115_100000211926 [0,2,0,0,0,0|2,0,0]=4 4782 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000211926 [0,2,0,0,0,0|2,0,0]=4 4783 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000211926 [0,2,0,0,0,0|2,0,0]=4 4784 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000211926 [0,2,0,0,0,0|2,0,0]=4 4785 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)F 1458a_100000686462_100000211926 [0,2,0,0,0,0|2,0,0]=4 4786 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)I 1458a_100000684831_100000211926 [0,2,0,0,0,0|2,0,0]=4 4787 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211926 [0,2,0,0,0,0|2,0,0]=4 4788 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Br 1458a_100000743946_100000211926 [0,2,0,0,0,0|2,0,0]=4 4789 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Cl 1458a_100000743183_100000211926 [0,2,0,0,0,0|2,0,0]=4 4790 B13R1.466 O=C(CCO)c1ccc(c(c1)F)F 1458a_100000209822_100000211926 [0,2,0,0,0,0|2,0,0]=4 4791 B13R1.466 O=C(CCO)c1ccc(c(c1)F)I 1458a_100000062624_100000211926 [0,2,0,0,0,0|2,0,0]=4 4792 B13R1.466 O=C(CCO)c1ccc(c(c1)F)O 1458a_100000185466_100000211926 [0,2,0,0,0,0|2,0,0]=4 4793 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Br 1458a_100012343876_100000211926 [0,2,0,0,0,0|2,0,0]=4 4794 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Cl 1458a_100000739381_100000211926 [0,2,0,0,0,0|2,0,0]=4 4795 B13R1.466 O=C(CCO)c1ccc(c(c1)I)F 1458a_100000688015_100000211926 [0,2,0,0,0,0|2,0,0]=4 4796 B13R1.466 O=C(CCO)c1ccc(c(c1)I)I 1458a_100000725830_100000211926 [0,2,0,0,0,0|2,0,0]=4 4797 B13R1.466 O=C(CCO)c1ccc(c(c1)I)O 1458a_100000037485_100000211926 [0,2,0,0,0,0|2,0,0]=4 4798 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000211926 [0,2,0,0,0,0|2,0,0]=4 4799 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211926 [0,2,0,0,0,0|2,0,0]=4 4800 B13R1.466 O=C(CCO)c1ccc(c(c1)O)F 1458a_100000035894_100000211926 [0,2,0,0,0,0|2,0,0]=4 4801 B13R1.466 O=C(CCO)c1ccc(c(c1)O)I 1458a_100000239334_100000211926 [0,2,0,0,0,0|2,0,0]=4 4802 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [0,2,0,0,0,0|2,0,0]=4 4803 B13R1.466 [13CH3]OCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200025704644 [0,2,0,0,0,0|2,0,0]=4 4804 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Br)F 62a_100011217175_200025704644 [0,2,0,0,0,0|2,0,0]=4 4805 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Br)F 62a_200025704644_100011217175 [0,2,0,0,0,0|2,0,0]=4 4806 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Br 62a_200012349649_200025704644 [0,2,0,0,0,0|2,0,0]=4 4807 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Br 62a_200025704644_200012349649 [0,2,0,0,0,0|2,0,0]=4 4808 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000211430_200025704644 [0,2,0,0,0,0|2,0,0]=4 4809 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)Cl 62a_200025704644_100000211430 [0,2,0,0,0,0|2,0,0]=4 4810 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)F 62a_100000757878_200025704644 [0,2,0,0,0,0|2,0,0]=4 4811 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)F 62a_200025704644_100000757878 [0,2,0,0,0,0|2,0,0]=4 4812 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200025704644 [0,2,0,0,0,0|2,0,0]=4 4813 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200025704644_200010170092 [0,2,0,0,0,0|2,0,0]=4 4814 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Br 62a_100012361357_200025704644 [0,2,0,0,0,0|2,0,0]=4 4815 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Br 62a_200025704644_100012361357 [0,2,0,0,0,0|2,0,0]=4 4816 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Cl 62a_100012351892_200025704644 [0,2,0,0,0,0|2,0,0]=4 4817 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)Cl 62a_200025704644_100012351892 [0,2,0,0,0,0|2,0,0]=4 4818 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)F 62a_100000183380_200025704644 [0,2,0,0,0,0|2,0,0]=4 4819 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)F)F 62a_200025704644_100000183380 [0,2,0,0,0,0|2,0,0]=4 4820 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [0,2,0,0,0,0|2,0,0]=4 4821 B13R1.1511 CCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210303 [0,2,0,0,0,0|1,0,0]=3 4822 B13R1.1511 CCCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210303 [0,2,0,0,0,0|1,0,0]=3 4823 B13R1.1511 CCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210303 [0,2,0,0,0,0|1,0,0]=3 4824 B13R1.1511 CCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210303 [0,2,0,0,0,0|1,0,0]=3 4825 B13R1.1511 CCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210303 [0,2,0,0,0,0|1,0,0]=3 4826 B13R1.1511 CCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210303 [0,2,0,0,0,0|1,0,0]=3 4827 B13R1.1511 CCCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210303 [0,2,0,0,0,0|1,0,0]=3 4828 B13R1.1511 CCCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210303 [0,2,0,0,0,0|1,0,0]=3 4829 B13R1.1511 CCCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210303 [0,2,0,0,0,0|1,0,0]=3 4830 B13R1.1511 CCCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210303 [0,2,0,0,0,0|1,0,0]=3 4831 B13R1.1511 CCCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210303 [0,2,0,0,0,0|1,0,0]=3 4832 B13R1.1511 CCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210303 [0,2,0,0,0,0|1,0,0]=3 4833 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210303 [0,2,0,0,0,0|1,0,0]=3 4834 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210303 [0,2,0,0,0,0|1,0,0]=3 4835 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210303 [0,2,0,0,0,0|1,0,0]=3 4836 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210303 [0,2,0,0,0,0|1,0,0]=3 4837 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210303 [0,2,0,0,0,0|1,0,0]=3 4838 B13R1.1511 CCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210303 [0,2,0,0,0,0|1,0,0]=3 4839 B13R1.1511 CCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210303 [0,2,0,0,0,0|1,0,0]=3 4840 B13R1.1511 CCCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210303 [0,2,0,0,0,0|1,0,0]=3 4841 B13R1.1511 CCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210303 [0,2,0,0,0,0|1,0,0]=3 4842 B13R1.1511 CCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210303 [0,2,0,0,0,0|1,0,0]=3 4843 B13R1.1511 CCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210303 [0,2,0,0,0,0|1,0,0]=3 4844 B13R1.1511 CCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210303 [0,2,0,0,0,0|1,0,0]=3 4845 B13R1.1511 CCCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012345046 [0,2,0,0,0,0|1,0,0]=3 4846 B13R1.1511 CCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210303 [0,2,0,0,0,0|1,0,0]=3 4847 B13R1.1511 CCCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210303 [0,2,0,0,0,0|1,0,0]=3 4848 B13R1.1511 CCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210303 [0,2,0,0,0,0|1,0,0]=3 4849 B13R1.1511 CCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210303 [0,2,0,0,0,0|1,0,0]=3 4850 B13R1.1511 CCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210303 [0,2,0,0,0,0|1,0,0]=3 4851 B13R1.1511 CCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210303 [0,2,0,0,0,0|1,0,0]=3 4852 B13R1.1511 CCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210303 [0,2,0,0,0,0|1,0,0]=3 4853 B13R1.1511 CCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210303 [0,2,0,0,0,0|1,0,0]=3 4854 B13R1.1511 CCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210303 [0,2,0,0,0,0|1,0,0]=3 4855 B13R1.1511 CCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210303 [0,2,0,0,0,0|1,0,0]=3 4856 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br 11a_100015525214_100000762965 [0,2,0,0,0,0|1,0,0]=3 4857 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br 240690a_100015525214_100000762965 [0,2,0,0,0,0|1,0,0]=3 4858 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Br 527a_100015525214_100000762965 [0,2,0,0,0,0|1,0,0]=3 4859 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C 11a_100015525214_100000685072 [0,2,0,0,0,0|1,0,0]=3 4860 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C 240690a_100015525214_100000685072 [0,2,0,0,0,0|1,0,0]=3 4861 B13R1.1511 CCNC(=O)c1ccc(cc1Br)C 527a_100015525214_100000685072 [0,2,0,0,0,0|1,0,0]=3 4862 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl 11a_100015525214_100000766353 [0,2,0,0,0,0|1,0,0]=3 4863 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl 240690a_100015525214_100000766353 [0,2,0,0,0,0|1,0,0]=3 4864 B13R1.1511 CCNC(=O)c1ccc(cc1Br)Cl 527a_100015525214_100000766353 [0,2,0,0,0,0|1,0,0]=3 4865 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F 11a_100015525214_100000212304 [0,2,0,0,0,0|1,0,0]=3 4866 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F 240690a_100015525214_100000212304 [0,2,0,0,0,0|1,0,0]=3 4867 B13R1.1511 CCNC(=O)c1ccc(cc1Br)F 527a_100015525214_100000212304 [0,2,0,0,0,0|1,0,0]=3 4868 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I 11a_100015525214_100012360512 [0,2,0,0,0,0|1,0,0]=3 4869 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I 240690a_100015525214_100012360512 [0,2,0,0,0,0|1,0,0]=3 4870 B13R1.1511 CCNC(=O)c1ccc(cc1Br)I 527a_100015525214_100012360512 [0,2,0,0,0,0|1,0,0]=3 4871 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O 240690a_100015525214_100012344906 [0,2,0,0,0,0|1,0,0]=3 4872 B13R1.1511 CCNC(=O)c1ccc(cc1Br)O 527a_100015525214_100012344906 [0,2,0,0,0,0|1,0,0]=3 4873 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br 11a_100015525214_100000741311 [0,2,0,0,0,0|1,0,0]=3 4874 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br 240690a_100015525214_100000741311 [0,2,0,0,0,0|1,0,0]=3 4875 B13R1.1511 CCNC(=O)c1ccc(cc1C)Br 527a_100015525214_100000741311 [0,2,0,0,0,0|1,0,0]=3 4876 B13R1.1511 CCNC(=O)c1ccc(cc1C)C 11a_100015525214_100000211164 [0,2,0,0,0,0|1,0,0]=3 4877 B13R1.1511 CCNC(=O)c1ccc(cc1C)C 240690a_100015525214_100000211164 [0,2,0,0,0,0|1,0,0]=3 4878 B13R1.1511 CCNC(=O)c1ccc(cc1C)C 527a_100015525214_100000211164 [0,2,0,0,0,0|1,0,0]=3 4879 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl 11a_100015525214_100000688705 [0,2,0,0,0,0|1,0,0]=3 4880 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl 240690a_100015525214_100000688705 [0,2,0,0,0,0|1,0,0]=3 4881 B13R1.1511 CCNC(=O)c1ccc(cc1C)Cl 527a_100015525214_100000688705 [0,2,0,0,0,0|1,0,0]=3 4882 B13R1.1511 CCNC(=O)c1ccc(cc1C)F 11a_100015525214_100000686989 [0,2,0,0,0,0|1,0,0]=3 4883 B13R1.1511 CCNC(=O)c1ccc(cc1C)F 240690a_100015525214_100000686989 [0,2,0,0,0,0|1,0,0]=3 4884 B13R1.1511 CCNC(=O)c1ccc(cc1C)F 527a_100015525214_100000686989 [0,2,0,0,0,0|1,0,0]=3 4885 B13R1.1511 CCNC(=O)c1ccc(cc1C)I 11a_100015525214_100010189873 [0,2,0,0,0,0|1,0,0]=3 4886 B13R1.1511 CCNC(=O)c1ccc(cc1C)I 240690a_100015525214_100010189873 [0,2,0,0,0,0|1,0,0]=3 4887 B13R1.1511 CCNC(=O)c1ccc(cc1C)I 527a_100015525214_100010189873 [0,2,0,0,0,0|1,0,0]=3 4888 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 240690a_100015525214_100000692822 [0,2,0,0,0,0|1,0,0]=3 4889 B13R1.1511 CCNC(=O)c1ccc(cc1C)O 527a_100015525214_100000692822 [0,2,0,0,0,0|1,0,0]=3 4890 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br 11a_100015525214_100000741628 [0,2,0,0,0,0|1,0,0]=3 4891 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br 240690a_100015525214_100000741628 [0,2,0,0,0,0|1,0,0]=3 4892 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Br 527a_100015525214_100000741628 [0,2,0,0,0,0|1,0,0]=3 4893 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C 11a_100015525214_100000766932 [0,2,0,0,0,0|1,0,0]=3 4894 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C 240690a_100015525214_100000766932 [0,2,0,0,0,0|1,0,0]=3 4895 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)C 527a_100015525214_100000766932 [0,2,0,0,0,0|1,0,0]=3 4896 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl 11a_100015525214_100000185840 [0,2,0,0,0,0|1,0,0]=3 4897 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl 240690a_100015525214_100000185840 [0,2,0,0,0,0|1,0,0]=3 4898 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)Cl 527a_100015525214_100000185840 [0,2,0,0,0,0|1,0,0]=3 4899 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F 11a_100015525214_100000211397 [0,2,0,0,0,0|1,0,0]=3 4900 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F 240690a_100015525214_100000211397 [0,2,0,0,0,0|1,0,0]=3 4901 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)F 527a_100015525214_100000211397 [0,2,0,0,0,0|1,0,0]=3 4902 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I 11a_100015525214_100000751301 [0,2,0,0,0,0|1,0,0]=3 4903 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I 240690a_100015525214_100000751301 [0,2,0,0,0,0|1,0,0]=3 4904 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)I 527a_100015525214_100000751301 [0,2,0,0,0,0|1,0,0]=3 4905 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O 240690a_100015525214_100000702456 [0,2,0,0,0,0|1,0,0]=3 4906 B13R1.1511 CCNC(=O)c1ccc(cc1Cl)O 527a_100015525214_100000702456 [0,2,0,0,0,0|1,0,0]=3 4907 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br 11a_100015525214_100000214689 [0,2,0,0,0,0|1,0,0]=3 4908 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br 240690a_100015525214_100000214689 [0,2,0,0,0,0|1,0,0]=3 4909 B13R1.1511 CCNC(=O)c1ccc(cc1F)Br 527a_100015525214_100000214689 [0,2,0,0,0,0|1,0,0]=3 4910 B13R1.1511 CCNC(=O)c1ccc(cc1F)C 11a_100015525214_100000766033 [0,2,0,0,0,0|1,0,0]=3 4911 B13R1.1511 CCNC(=O)c1ccc(cc1F)C 240690a_100015525214_100000766033 [0,2,0,0,0,0|1,0,0]=3 4912 B13R1.1511 CCNC(=O)c1ccc(cc1F)C 527a_100015525214_100000766033 [0,2,0,0,0,0|1,0,0]=3 4913 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl 11a_100015525214_100000212326 [0,2,0,0,0,0|1,0,0]=3 4914 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl 240690a_100015525214_100000212326 [0,2,0,0,0,0|1,0,0]=3 4915 B13R1.1511 CCNC(=O)c1ccc(cc1F)Cl 527a_100015525214_100000212326 [0,2,0,0,0,0|1,0,0]=3 4916 B13R1.1511 CCNC(=O)c1ccc(cc1F)F 11a_100015525214_100000211022 [0,2,0,0,0,0|1,0,0]=3 4917 B13R1.1511 CCNC(=O)c1ccc(cc1F)F 240690a_100015525214_100000211022 [0,2,0,0,0,0|1,0,0]=3 4918 B13R1.1511 CCNC(=O)c1ccc(cc1F)F 527a_100015525214_100000211022 [0,2,0,0,0,0|1,0,0]=3 4919 B13R1.1511 CCNC(=O)c1ccc(cc1F)I 11a_100015525214_100000037189 [0,2,0,0,0,0|1,0,0]=3 4920 B13R1.1511 CCNC(=O)c1ccc(cc1F)I 240690a_100015525214_100000037189 [0,2,0,0,0,0|1,0,0]=3 4921 B13R1.1511 CCNC(=O)c1ccc(cc1F)I 527a_100015525214_100000037189 [0,2,0,0,0,0|1,0,0]=3 4922 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 240690a_100015525214_100000689029 [0,2,0,0,0,0|1,0,0]=3 4923 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 271570a_203496583355_200000215476 [0,2,0,0,0,0|1,0,0]=3 4924 B13R1.1511 CCNC(=O)c1ccc(cc1F)O 527a_100015525214_100000689029 [0,2,0,0,0,0|1,0,0]=3 4925 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br 11a_100015525214_100000751167 [0,2,0,0,0,0|1,0,0]=3 4926 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br 240690a_100015525214_100000751167 [0,2,0,0,0,0|1,0,0]=3 4927 B13R1.1511 CCNC(=O)c1ccc(cc1I)Br 527a_100015525214_100000751167 [0,2,0,0,0,0|1,0,0]=3 4928 B13R1.1511 CCNC(=O)c1ccc(cc1I)C 11a_100015525214_100009999607 [0,2,0,0,0,0|1,0,0]=3 4929 B13R1.1511 CCNC(=O)c1ccc(cc1I)C 240690a_100015525214_100009999607 [0,2,0,0,0,0|1,0,0]=3 4930 B13R1.1511 CCNC(=O)c1ccc(cc1I)C 527a_100015525214_100009999607 [0,2,0,0,0,0|1,0,0]=3 4931 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl 11a_100015525214_100000739380 [0,2,0,0,0,0|1,0,0]=3 4932 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl 240690a_100015525214_100000739380 [0,2,0,0,0,0|1,0,0]=3 4933 B13R1.1511 CCNC(=O)c1ccc(cc1I)Cl 527a_100015525214_100000739380 [0,2,0,0,0,0|1,0,0]=3 4934 B13R1.1511 CCNC(=O)c1ccc(cc1I)F 11a_100015525214_100000739341 [0,2,0,0,0,0|1,0,0]=3 4935 B13R1.1511 CCNC(=O)c1ccc(cc1I)F 240690a_100015525214_100000739341 [0,2,0,0,0,0|1,0,0]=3 4936 B13R1.1511 CCNC(=O)c1ccc(cc1I)F 527a_100015525214_100000739341 [0,2,0,0,0,0|1,0,0]=3 4937 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br 240690a_100015525214_100000744433 [0,2,0,0,0,0|1,0,0]=3 4938 B13R1.1511 CCNC(=O)c1ccc(cc1O)Br 527a_100015525214_100000744433 [0,2,0,0,0,0|1,0,0]=3 4939 B13R1.1511 CCNC(=O)c1ccc(cc1O)C 240690a_100015525214_100000212137 [0,2,0,0,0,0|1,0,0]=3 4940 B13R1.1511 CCNC(=O)c1ccc(cc1O)C 527a_100015525214_100000212137 [0,2,0,0,0,0|1,0,0]=3 4941 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 11a_100015525214_100000188622 [0,2,0,0,0,0|1,0,0]=3 4942 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 240690a_100015525214_100000188622 [0,2,0,0,0,0|1,0,0]=3 4943 B13R1.1511 CCNC(=O)c1ccc(cc1O)Cl 527a_100015525214_100000188622 [0,2,0,0,0,0|1,0,0]=3 4944 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 240690a_100015525214_100000746061 [0,2,0,0,0,0|1,0,0]=3 4945 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203945 [0,2,0,0,0,0|1,0,0]=3 4946 B13R1.1511 CCNC(=O)c1ccc(cc1O)F 527a_100015525214_100000746061 [0,2,0,0,0,0|1,0,0]=3 4947 B13R1.1511 CCNC(=O)c1ccc(cc1O)I 240690a_100015525214_100000091984 [0,2,0,0,0,0|1,0,0]=3 4948 B13R1.1511 CCNC(=O)c1ccc(cc1O)I 527a_100015525214_100000091984 [0,2,0,0,0,0|1,0,0]=3 4949 B13R1.1511 CCOC(=O)c1ccc(cc1C)O 271570a_203496583355_100011327926 [0,2,0,0,0,0|0,0,0]=2 4950 B13R1.1511 CCOC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060723 [0,2,0,0,0,0|0,0,0]=2 4951 B13R1.1511 CCOC(=O)c1ccc(cc1F)O 271570a_203496583355_100010244673 [0,2,0,0,0,0|0,0,0]=2 4952 B13R1.1511 CCOC(=O)c1ccc(cc1O)C 271570a_203496583355_200012185120 [0,2,0,0,0,0|0,0,0]=2 4953 B13R1.1511 CCOC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047509 [0,2,0,0,0,0|0,0,0]=2 4954 B13R1.1511 CCOC(=O)c1ccc(cc1O)F 271570a_203496583355_100011206307 [0,2,0,0,0,0|0,0,0]=2 4955 B13R1.1511 CCOC(=O)c1ccc(nc1C)O 271570a_203496583355_100000106303 [0,2,0,0,0,0|1,0,0]=3 4956 B13R1.1511 CCOC(=O)c1cnc(nc1C)O 271570a_203496583355_100000693866 [0,2,0,0,0,0|2,0,0]=4 4957 B13R1.1511 CCOC(=O)c1cnc(nc1O)C 271570a_203496583355_100011240830 [0,2,0,0,0,0|2,0,0]=4 4958 B13R1.1511 CCOC(=O)c1cnc(nc1O)N 271570a_203496583355_100010080570 [0,2,0,0,0,0|2,0,0]=4 4959 B13R1.1511 CCOC(=O)c1ncc(cc1C)O 271570a_203496583355_100010201522 [0,2,0,0,0,0|1,0,0]=3 4960 B13R1.1511 CCOC(=O)c1ncc(cc1N)O 271570a_203496583355_100010230144 [0,2,0,0,0,0|1,0,0]=3 4961 B13R1.1511 CCOC(=O)c1ncc(cc1O)O 271570a_203496583355_100016103240 [0,2,0,0,0,0|1,0,0]=3 4962 B13R1.1511 CCOC(C)c1ccc(cc1C)C 34a_100000246504_100000210202 [0,2,0,0,0,0|1,0,1]=4 4963 B13R1.1511 CCOC(C)c1ccc(cc1C)C 7a_100000246504_100000210202 [0,2,0,0,0,0|1,0,1]=4 4964 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210202 [0,2,0,0,0,0|1,0,1]=4 4965 B13R1.1511 CCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210202 [0,2,0,0,0,0|1,0,1]=4 4966 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210202 [0,2,0,0,0,0|1,0,1]=4 4967 B13R1.1511 CCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210202 [0,2,0,0,0,0|1,0,1]=4 4968 B13R1.1511 CCOC(C)c1ccc(cc1F)Cl 34a_200011805215_100000210202 [0,2,0,0,0,0|1,0,1]=4 4969 B13R1.1511 CCOC(C)c1ccc(cc1F)Cl 7a_200011805215_100000210202 [0,2,0,0,0,0|1,0,1]=4 4970 B13R1.1511 CCOC(C)c1ccc(cc1F)F 34a_200000246518_100000210202 [0,2,0,0,0,0|1,0,1]=4 4971 B13R1.1511 CCOC(C)c1ccc(cc1F)F 7a_200000246518_100000210202 [0,2,0,0,0,0|1,0,1]=4 4972 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 34a_100102657272_100012361341 [0,2,0,0,0,0|2,0,0]=4 4973 B13R1.1511 CNCC(=O)c1ccc(cc1Br)F 7a_106832991635_100012361341 [0,2,0,0,0,0|2,0,0]=4 4974 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 2230a_106832991635_100000229959 [0,2,0,0,0,0|2,0,0]=4 4975 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 34a_100102657272_100000229959 [0,2,0,0,0,0|2,0,0]=4 4976 B13R1.1511 CNCC(=O)c1ccc(cc1C)C 7a_106832991635_100000229959 [0,2,0,0,0,0|2,0,0]=4 4977 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)Cl 2230a_106832991635_100011218845 [0,2,0,0,0,0|2,0,0]=4 4978 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 2230a_106832991635_100012056422 [0,2,0,0,0,0|2,0,0]=4 4979 B13R1.1511 CNCC(=O)c1ccc(cc1Cl)F 34a_100102657272_100012056422 [0,2,0,0,0,0|2,0,0]=4 4980 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 34a_100102657272_200012361339 [0,2,0,0,0,0|2,0,0]=4 4981 B13R1.1511 CNCC(=O)c1ccc(cc1F)Br 7a_106832991635_200012361339 [0,2,0,0,0,0|2,0,0]=4 4982 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 34a_100102657272_100012351891 [0,2,0,0,0,0|2,0,0]=4 4983 B13R1.1511 CNCC(=O)c1ccc(cc1F)Cl 7a_106832991635_100012351891 [0,2,0,0,0,0|2,0,0]=4 4984 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 34a_100102657272_100000229962 [0,2,0,0,0,0|2,0,0]=4 4985 B13R1.1511 CNCC(=O)c1ccc(cc1F)F 7a_106832991635_100000229962 [0,2,0,0,0,0|2,0,0]=4 4986 B13R1.1511 CNCC(=O)c1ccc(cc1O)F 34a_100102657272_100009817053 [0,2,0,0,0,0|2,0,0]=4 4987 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 34a_100102657272_100009814262 [0,2,0,0,0,0|2,0,0]=4 4988 B13R1.1511 CNCC(=O)c1ccc(cc1O)O 7a_106832991635_100009814262 [0,2,0,0,0,0|2,0,0]=4 4989 B13R1.1511 CNNC(=O)c1ccc(cc1Br)Br 22a_100016993582_100000762965 [0,2,0,0,0,0|2,0,0]=4 4990 B13R1.1511 CNNC(=O)c1ccc(cc1Br)C 22a_100016993582_100000685072 [0,2,0,0,0,0|2,0,0]=4 4991 B13R1.1511 CNNC(=O)c1ccc(cc1Br)Cl 22a_100016993582_100000766353 [0,2,0,0,0,0|2,0,0]=4 4992 B13R1.1511 CNNC(=O)c1ccc(cc1Br)F 22a_100016993582_100000212304 [0,2,0,0,0,0|2,0,0]=4 4993 B13R1.1511 CNNC(=O)c1ccc(cc1Br)I 22a_100016993582_100012360512 [0,2,0,0,0,0|2,0,0]=4 4994 B13R1.1511 CNNC(=O)c1ccc(cc1Br)O 22a_100016993582_100012344906 [0,2,0,0,0,0|2,0,0]=4 4995 B13R1.1511 CNNC(=O)c1ccc(cc1C)Br 22a_100016993582_100000741311 [0,2,0,0,0,0|2,0,0]=4 4996 B13R1.1511 CNNC(=O)c1ccc(cc1C)C 22a_100016993582_100000211164 [0,2,0,0,0,0|2,0,0]=4 4997 B13R1.1511 CNNC(=O)c1ccc(cc1C)Cl 22a_100016993582_100000688705 [0,2,0,0,0,0|2,0,0]=4 4998 B13R1.1511 CNNC(=O)c1ccc(cc1C)F 22a_100016993582_100000686989 [0,2,0,0,0,0|2,0,0]=4 4999 B13R1.1511 CNNC(=O)c1ccc(cc1C)I 22a_100016993582_100010189873 [0,2,0,0,0,0|2,0,0]=4 5000 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)Br 22a_100016993582_100000741628 [0,2,0,0,0,0|2,0,0]=4 5001 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)C 22a_100016993582_100000766932 [0,2,0,0,0,0|2,0,0]=4 5002 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)Cl 22a_100016993582_100000185840 [0,2,0,0,0,0|2,0,0]=4 5003 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)F 22a_100016993582_100000211397 [0,2,0,0,0,0|2,0,0]=4 5004 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)I 22a_100016993582_100000751301 [0,2,0,0,0,0|2,0,0]=4 5005 B13R1.1511 CNNC(=O)c1ccc(cc1Cl)O 22a_100016993582_100000702456 [0,2,0,0,0,0|2,0,0]=4 5006 B13R1.1511 CNNC(=O)c1ccc(cc1F)Br 22a_100016993582_100000214689 [0,2,0,0,0,0|2,0,0]=4 5007 B13R1.1511 CNNC(=O)c1ccc(cc1F)C 22a_100016993582_100000766033 [0,2,0,0,0,0|2,0,0]=4 5008 B13R1.1511 CNNC(=O)c1ccc(cc1F)Cl 22a_100016993582_100000212326 [0,2,0,0,0,0|2,0,0]=4 5009 B13R1.1511 CNNC(=O)c1ccc(cc1F)F 22a_100016993582_100000211022 [0,2,0,0,0,0|2,0,0]=4 5010 B13R1.1511 CNNC(=O)c1ccc(cc1F)I 22a_100016993582_100000037189 [0,2,0,0,0,0|2,0,0]=4 5011 B13R1.1511 CNNC(=O)c1ccc(cc1F)O 22a_100016993582_100000689029 [0,2,0,0,0,0|2,0,0]=4 5012 B13R1.1511 CNNC(=O)c1ccc(cc1I)Br 22a_100016993582_100000751167 [0,2,0,0,0,0|2,0,0]=4 5013 B13R1.1511 CNNC(=O)c1ccc(cc1I)C 22a_100016993582_100009999607 [0,2,0,0,0,0|2,0,0]=4 5014 B13R1.1511 CNNC(=O)c1ccc(cc1I)Cl 22a_100016993582_100000739380 [0,2,0,0,0,0|2,0,0]=4 5015 B13R1.1511 CNNC(=O)c1ccc(cc1I)F 22a_100016993582_100000739341 [0,2,0,0,0,0|2,0,0]=4 5016 B13R1.1511 CNNC(=O)c1ccc(cc1O)Br 22a_100016993582_100000744433 [0,2,0,0,0,0|2,0,0]=4 5017 B13R1.1511 CNNC(=O)c1ccc(cc1O)C 22a_100016993582_100000212137 [0,2,0,0,0,0|2,0,0]=4 5018 B13R1.1511 CNNC(=O)c1ccc(cc1O)Cl 22a_100016993582_100000188622 [0,2,0,0,0,0|2,0,0]=4 5019 B13R1.1511 CNNC(=O)c1ccc(cc1O)F 22a_100016993582_100000746061 [0,2,0,0,0,0|2,0,0]=4 5020 B13R1.1511 CNNC(=O)c1ccc(cc1O)I 22a_100016993582_100000091984 [0,2,0,0,0,0|2,0,0]=4 5021 B13R1.1511 CNNC(=O)c1ccc(cc1O)O 22a_100016993582_100000212172 [0,2,0,0,0,0|2,0,0]=4 5022 B13R1.1511 COCC(=O)c1ccc(cc1Br)F 34a_100138415774_100012361341 [0,2,0,0,0,0|2,0,0]=4 5023 B13R1.1511 COCC(=O)c1ccc(cc1C)C 34a_100138415774_100000229959 [0,2,0,0,0,0|2,0,0]=4 5024 B13R1.1511 COCC(=O)c1ccc(cc1Cl)F 34a_100138415774_100012056422 [0,2,0,0,0,0|2,0,0]=4 5025 B13R1.1511 COCC(=O)c1ccc(cc1F)Br 34a_100138415774_200012361339 [0,2,0,0,0,0|2,0,0]=4 5026 B13R1.1511 COCC(=O)c1ccc(cc1F)Cl 34a_100138415774_100012351891 [0,2,0,0,0,0|2,0,0]=4 5027 B13R1.1511 COCC(=O)c1ccc(cc1F)F 34a_100138415774_100000229962 [0,2,0,0,0,0|2,0,0]=4 5028 B13R1.1511 COCC(=O)c1ccc(cc1O)F 34a_100138415774_100009817053 [0,2,0,0,0,0|2,0,0]=4 5029 B13R1.1511 COCC(=O)c1ccc(cc1O)O 34a_100138415774_100009814262 [0,2,0,0,0,0|2,0,0]=4 5030 B13R1.1511 CSCC(=O)c1ccc(cc1Br)F 62a_100012361341_200000210301 [0,2,0,0,0,0|2,0,0]=4 5031 B13R1.1511 CSCC(=O)c1ccc(cc1C)C 62a_100000229959_200000210301 [0,2,0,0,0,0|2,0,0]=4 5032 B13R1.1511 CSCC(=O)c1ccc(cc1C)C 62a_200000210301_100000229959 [0,2,0,0,0,0|2,0,0]=4 5033 B13R1.1511 CSCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_200000210301 [0,2,0,0,0,0|2,0,0]=4 5034 B13R1.1511 CSCC(=O)c1ccc(cc1Cl)F 62a_100012056422_200000210301 [0,2,0,0,0,0|2,0,0]=4 5035 B13R1.1511 CSCC(=O)c1ccc(cc1Cl)F 62a_200000210301_100012056422 [0,2,0,0,0,0|2,0,0]=4 5036 B13R1.1511 CSCC(=O)c1ccc(cc1F)Br 62a_200012361339_200000210301 [0,2,0,0,0,0|2,0,0]=4 5037 B13R1.1511 CSCC(=O)c1ccc(cc1F)Cl 62a_100012351891_200000210301 [0,2,0,0,0,0|2,0,0]=4 5038 B13R1.1511 CSCC(=O)c1ccc(cc1F)Cl 62a_200000210301_100012351891 [0,2,0,0,0,0|2,0,0]=4 5039 B13R1.1511 CSCC(=O)c1ccc(cc1F)F 62a_100000229962_200000210301 [0,2,0,0,0,0|2,0,0]=4 5040 B13R1.1511 CSCC(=O)c1ccc(cc1F)F 62a_200000210301_100000229962 [0,2,0,0,0,0|2,0,0]=4 5041 B13R1.1511 CSCC(=O)c1ccc(cc1O)F 62a_100009817053_200000210301 [0,2,0,0,0,0|2,0,0]=4 5042 B13R1.1511 CSCC(=O)c1ccc(cc1O)F 62a_200000210301_100009817053 [0,2,0,0,0,0|2,0,0]=4 5043 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_100009814262_200000210301 [0,2,0,0,0,0|2,0,0]=4 5044 B13R1.1511 CSCC(=O)c1ccc(cc1O)O 62a_200000210301_100009814262 [0,2,0,0,0,0|2,0,0]=4 5045 B13R1.1511 Cc1cc(ccc1C(=O)CCF)Br 1458a_100000741311_100011217306 [0,2,0,0,0,0|2,0,0]=4 5046 B13R1.1511 Cc1cc(ccc1C(=O)CCF)Cl 1458a_100000688705_100011217306 [0,2,0,0,0,0|2,0,0]=4 5047 B13R1.1511 Cc1cc(ccc1C(=O)CCF)F 1458a_100000686989_100011217306 [0,2,0,0,0,0|2,0,0]=4 5048 B13R1.1511 Cc1cc(ccc1C(=O)CCF)I 1458a_100010189873_100011217306 [0,2,0,0,0,0|2,0,0]=4 5049 B13R1.1511 Cc1cc(ccc1C(=O)CCF)O 1458a_100000692822_100011217306 [0,2,0,0,0,0|2,0,0]=4 5050 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Br 1458a_100000741311_100000211926 [0,2,0,0,0,0|2,0,0]=4 5051 B13R1.1511 Cc1cc(ccc1C(=O)CCO)Cl 1458a_100000688705_100000211926 [0,2,0,0,0,0|2,0,0]=4 5052 B13R1.1511 Cc1cc(ccc1C(=O)CCO)F 1458a_100000686989_100000211926 [0,2,0,0,0,0|2,0,0]=4 5053 B13R1.1511 Cc1cc(ccc1C(=O)CCO)I 1458a_100010189873_100000211926 [0,2,0,0,0,0|2,0,0]=4 5054 B13R1.1511 Cc1cc(ccc1C(=O)CCO)O 1458a_100000692822_100000211926 [0,2,0,0,0,0|2,0,0]=4 5055 B13R1.1511 Cc1ccc(c(c1)Br)C(=O)CCF 1458a_100000685072_100011217306 [0,2,0,0,0,0|2,0,0]=4 5056 B13R1.1511 Cc1ccc(c(c1)Br)C(=O)CCO 1458a_100000685072_100000211926 [0,2,0,0,0,0|2,0,0]=4 5057 B13R1.1511 Cc1ccc(c(c1)C)C(=O)CCF 1458a_100000211164_100011217306 [0,2,0,0,0,0|2,0,0]=4 5058 B13R1.1511 Cc1ccc(c(c1)C)C(=O)CCO 1458a_100000211164_100000211926 [0,2,0,0,0,0|2,0,0]=4 5059 B13R1.1511 Cc1ccc(c(c1)C)C(=O)CS[13CH3] 62a_100000229959_200025704644 [0,2,0,0,0,0|2,0,0]=4 5060 B13R1.1511 Cc1ccc(c(c1)C)C(=O)CS[13CH3] 62a_200025704644_100000229959 [0,2,0,0,0,0|2,0,0]=4 5061 B13R1.1511 Cc1ccc(c(c1)Cl)C(=O)CCF 1458a_100000766932_100011217306 [0,2,0,0,0,0|2,0,0]=4 5062 B13R1.1511 Cc1ccc(c(c1)Cl)C(=O)CCO 1458a_100000766932_100000211926 [0,2,0,0,0,0|2,0,0]=4 5063 B13R1.1511 Cc1ccc(c(c1)F)C(=O)CCF 1458a_100000766033_100011217306 [0,2,0,0,0,0|2,0,0]=4 5064 B13R1.1511 Cc1ccc(c(c1)F)C(=O)CCO 1458a_100000766033_100000211926 [0,2,0,0,0,0|2,0,0]=4 5065 B13R1.1511 Cc1ccc(c(c1)I)C(=O)CCF 1458a_100009999607_100011217306 [0,2,0,0,0,0|2,0,0]=4 5066 B13R1.1511 Cc1ccc(c(c1)I)C(=O)CCO 1458a_100009999607_100000211926 [0,2,0,0,0,0|2,0,0]=4 5067 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CCF 1458a_100000212137_100011217306 [0,2,0,0,0,0|2,0,0]=4 5068 B13R1.1511 Cc1ccc(c(c1)O)C(=O)CCO 1458a_100000212137_100000211926 [0,2,0,0,0,0|2,0,0]=4 5069 B13R1.1511 O=C(CCF)c1ccc(cc1Br)Br 1458a_100000762965_100011217306 [0,2,0,0,0,0|2,0,0]=4 5070 B13R1.1511 O=C(CCF)c1ccc(cc1Br)Cl 1458a_100000766353_100011217306 [0,2,0,0,0,0|2,0,0]=4 5071 B13R1.1511 O=C(CCF)c1ccc(cc1Br)F 1458a_100000212304_100011217306 [0,2,0,0,0,0|2,0,0]=4 5072 B13R1.1511 O=C(CCF)c1ccc(cc1Br)I 1458a_100012360512_100011217306 [0,2,0,0,0,0|2,0,0]=4 5073 B13R1.1511 O=C(CCF)c1ccc(cc1Br)O 1458a_100012344906_100011217306 [0,2,0,0,0,0|2,0,0]=4 5074 B13R1.1511 O=C(CCF)c1ccc(cc1Cl)Br 1458a_100000741628_100011217306 [0,2,0,0,0,0|2,0,0]=4 5075 B13R1.1511 O=C(CCF)c1ccc(cc1Cl)Cl 1458a_100000185840_100011217306 [0,2,0,0,0,0|2,0,0]=4 5076 B13R1.1511 O=C(CCF)c1ccc(cc1Cl)F 1458a_100000211397_100011217306 [0,2,0,0,0,0|2,0,0]=4 5077 B13R1.1511 O=C(CCF)c1ccc(cc1Cl)I 1458a_100000751301_100011217306 [0,2,0,0,0,0|2,0,0]=4 5078 B13R1.1511 O=C(CCF)c1ccc(cc1Cl)O 1458a_100000702456_100011217306 [0,2,0,0,0,0|2,0,0]=4 5079 B13R1.1511 O=C(CCF)c1ccc(cc1F)Br 1458a_100000214689_100011217306 [0,2,0,0,0,0|2,0,0]=4 5080 B13R1.1511 O=C(CCF)c1ccc(cc1F)Cl 1458a_100000212326_100011217306 [0,2,0,0,0,0|2,0,0]=4 5081 B13R1.1511 O=C(CCF)c1ccc(cc1F)F 1458a_100000211022_100011217306 [0,2,0,0,0,0|2,0,0]=4 5082 B13R1.1511 O=C(CCF)c1ccc(cc1F)I 1458a_100000037189_100011217306 [0,2,0,0,0,0|2,0,0]=4 5083 B13R1.1511 O=C(CCF)c1ccc(cc1F)O 1458a_100000689029_100011217306 [0,2,0,0,0,0|2,0,0]=4 5084 B13R1.1511 O=C(CCF)c1ccc(cc1I)Br 1458a_100000751167_100011217306 [0,2,0,0,0,0|2,0,0]=4 5085 B13R1.1511 O=C(CCF)c1ccc(cc1I)Cl 1458a_100000739380_100011217306 [0,2,0,0,0,0|2,0,0]=4 5086 B13R1.1511 O=C(CCF)c1ccc(cc1I)F 1458a_100000739341_100011217306 [0,2,0,0,0,0|2,0,0]=4 5087 B13R1.1511 O=C(CCF)c1ccc(cc1O)Br 1458a_100000744433_100011217306 [0,2,0,0,0,0|2,0,0]=4 5088 B13R1.1511 O=C(CCF)c1ccc(cc1O)Cl 1458a_100000188622_100011217306 [0,2,0,0,0,0|2,0,0]=4 5089 B13R1.1511 O=C(CCF)c1ccc(cc1O)F 1458a_100000746061_100011217306 [0,2,0,0,0,0|2,0,0]=4 5090 B13R1.1511 O=C(CCF)c1ccc(cc1O)I 1458a_100000091984_100011217306 [0,2,0,0,0,0|2,0,0]=4 5091 B13R1.1511 O=C(CCF)c1ccc(cc1O)O 1458a_100000212172_100011217306 [0,2,0,0,0,0|2,0,0]=4 5092 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Br 1458a_100000762965_100000211926 [0,2,0,0,0,0|2,0,0]=4 5093 B13R1.1511 O=C(CCO)c1ccc(cc1Br)Cl 1458a_100000766353_100000211926 [0,2,0,0,0,0|2,0,0]=4 5094 B13R1.1511 O=C(CCO)c1ccc(cc1Br)F 1458a_100000212304_100000211926 [0,2,0,0,0,0|2,0,0]=4 5095 B13R1.1511 O=C(CCO)c1ccc(cc1Br)I 1458a_100012360512_100000211926 [0,2,0,0,0,0|2,0,0]=4 5096 B13R1.1511 O=C(CCO)c1ccc(cc1Br)O 1458a_100012344906_100000211926 [0,2,0,0,0,0|2,0,0]=4 5097 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Br 1458a_100000741628_100000211926 [0,2,0,0,0,0|2,0,0]=4 5098 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)Cl 1458a_100000185840_100000211926 [0,2,0,0,0,0|2,0,0]=4 5099 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)F 1458a_100000211397_100000211926 [0,2,0,0,0,0|2,0,0]=4 5100 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)I 1458a_100000751301_100000211926 [0,2,0,0,0,0|2,0,0]=4 5101 B13R1.1511 O=C(CCO)c1ccc(cc1Cl)O 1458a_100000702456_100000211926 [0,2,0,0,0,0|2,0,0]=4 5102 B13R1.1511 O=C(CCO)c1ccc(cc1F)Br 1458a_100000214689_100000211926 [0,2,0,0,0,0|2,0,0]=4 5103 B13R1.1511 O=C(CCO)c1ccc(cc1F)Cl 1458a_100000212326_100000211926 [0,2,0,0,0,0|2,0,0]=4 5104 B13R1.1511 O=C(CCO)c1ccc(cc1F)F 1458a_100000211022_100000211926 [0,2,0,0,0,0|2,0,0]=4 5105 B13R1.1511 O=C(CCO)c1ccc(cc1F)I 1458a_100000037189_100000211926 [0,2,0,0,0,0|2,0,0]=4 5106 B13R1.1511 O=C(CCO)c1ccc(cc1F)O 1458a_100000689029_100000211926 [0,2,0,0,0,0|2,0,0]=4 5107 B13R1.1511 O=C(CCO)c1ccc(cc1I)Br 1458a_100000751167_100000211926 [0,2,0,0,0,0|2,0,0]=4 5108 B13R1.1511 O=C(CCO)c1ccc(cc1I)Cl 1458a_100000739380_100000211926 [0,2,0,0,0,0|2,0,0]=4 5109 B13R1.1511 O=C(CCO)c1ccc(cc1I)F 1458a_100000739341_100000211926 [0,2,0,0,0,0|2,0,0]=4 5110 B13R1.1511 O=C(CCO)c1ccc(cc1O)Br 1458a_100000744433_100000211926 [0,2,0,0,0,0|2,0,0]=4 5111 B13R1.1511 O=C(CCO)c1ccc(cc1O)Cl 1458a_100000188622_100000211926 [0,2,0,0,0,0|2,0,0]=4 5112 B13R1.1511 O=C(CCO)c1ccc(cc1O)F 1458a_100000746061_100000211926 [0,2,0,0,0,0|2,0,0]=4 5113 B13R1.1511 O=C(CCO)c1ccc(cc1O)I 1458a_100000091984_100000211926 [0,2,0,0,0,0|2,0,0]=4 5114 B13R1.1511 O=C(CCO)c1ccc(cc1O)O 1458a_100000212172_100000211926 [0,2,0,0,0,0|2,0,0]=4 5115 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1Br)F 62a_100012361341_200025704644 [0,2,0,0,0,0|2,0,0]=4 5116 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_200025704644 [0,2,0,0,0,0|2,0,0]=4 5117 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1Cl)F 62a_100012056422_200025704644 [0,2,0,0,0,0|2,0,0]=4 5118 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1Cl)F 62a_200025704644_100012056422 [0,2,0,0,0,0|2,0,0]=4 5119 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1F)Br 62a_200012361339_200025704644 [0,2,0,0,0,0|2,0,0]=4 5120 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1F)Cl 62a_100012351891_200025704644 [0,2,0,0,0,0|2,0,0]=4 5121 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1F)Cl 62a_200025704644_100012351891 [0,2,0,0,0,0|2,0,0]=4 5122 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1F)F 62a_100000229962_200025704644 [0,2,0,0,0,0|2,0,0]=4 5123 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1F)F 62a_200025704644_100000229962 [0,2,0,0,0,0|2,0,0]=4 5124 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)F 62a_100009817053_200025704644 [0,2,0,0,0,0|2,0,0]=4 5125 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)F 62a_200025704644_100009817053 [0,2,0,0,0,0|2,0,0]=4 5126 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_100009814262_200025704644 [0,2,0,0,0,0|2,0,0]=4 5127 B13R1.1511 [13CH3]SCC(=O)c1ccc(cc1O)O 62a_200025704644_100009814262 [0,2,0,0,0,0|2,0,0]=4 5128 B13R1.12 CCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210303 [0,2,0,0,0,0|1,0,0]=3 5129 B13R1.12 CCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210303 [0,2,0,0,0,0|1,0,0]=3 5130 B13R1.12 CCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210303 [0,2,0,0,0,0|1,0,0]=3 5131 B13R1.12 CCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210303 [0,2,0,0,0,0|1,0,0]=3 5132 B13R1.12 CCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210303 [0,2,0,0,0,0|1,0,0]=3 5133 B13R1.12 CCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210303 [0,2,0,0,0,0|1,0,0]=3 5134 B13R1.12 CCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210303 [0,2,0,0,0,0|1,0,0]=3 5135 B13R1.12 CCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210303 [0,2,0,0,0,0|1,0,0]=3 5136 B13R1.12 CCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210303 [0,2,0,0,0,0|1,0,0]=3 5137 B13R1.12 CCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210303 [0,2,0,0,0,0|1,0,0]=3 5138 B13R1.12 CCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210303 [0,2,0,0,0,0|1,0,0]=3 5139 B13R1.12 CCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210303 [0,2,0,0,0,0|1,0,0]=3 5140 B13R1.12 CCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210303 [0,2,0,0,0,0|1,0,0]=3 5141 B13R1.12 CCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210303 [0,2,0,0,0,0|1,0,0]=3 5142 B13R1.12 CCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210303 [0,2,0,0,0,0|1,0,0]=3 5143 B13R1.12 CCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210303 [0,2,0,0,0,0|1,0,0]=3 5144 B13R1.12 CCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210303 [0,2,0,0,0,0|1,0,0]=3 5145 B13R1.12 CCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210303 [0,2,0,0,0,0|1,0,0]=3 5146 B13R1.12 CCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210303 [0,2,0,0,0,0|1,0,0]=3 5147 B13R1.12 CCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210303 [0,2,0,0,0,0|1,0,0]=3 5148 B13R1.12 CCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210303 [0,2,0,0,0,0|1,0,0]=3 5149 B13R1.12 CCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210303 [0,2,0,0,0,0|1,0,0]=3 5150 B13R1.12 CCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210303 [0,2,0,0,0,0|1,0,0]=3 5151 B13R1.12 CCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210303 [0,2,0,0,0,0|1,0,0]=3 5152 B13R1.12 CCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210303 [0,2,0,0,0,0|1,0,0]=3 5153 B13R1.12 CCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210303 [0,2,0,0,0,0|1,0,0]=3 5154 B13R1.12 CCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210303 [0,2,0,0,0,0|1,0,0]=3 5155 B13R1.12 CCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210303 [0,2,0,0,0,0|1,0,0]=3 5156 B13R1.12 CCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210303 [0,2,0,0,0,0|1,0,0]=3 5157 B13R1.12 CCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210303 [0,2,0,0,0,0|1,0,0]=3 5158 B13R1.12 CCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210303 [0,2,0,0,0,0|1,0,0]=3 5159 B13R1.12 CCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210303 [0,2,0,0,0,0|1,0,0]=3 5160 B13R1.12 CCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210303 [0,2,0,0,0,0|1,0,0]=3 5161 B13R1.12 CCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210303 [0,2,0,0,0,0|1,0,0]=3 5162 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 11a_100015525214_100012360534 [0,2,0,0,0,0|1,0,0]=3 5163 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 240690a_100015525214_100012360534 [0,2,0,0,0,0|1,0,0]=3 5164 B13R1.12 CCNC(=O)c1cccc(c1Br)Br 527a_100015525214_100012360534 [0,2,0,0,0,0|1,0,0]=3 5165 B13R1.12 CCNC(=O)c1cccc(c1Br)C 11a_100015525214_100000692419 [0,2,0,0,0,0|1,0,0]=3 5166 B13R1.12 CCNC(=O)c1cccc(c1Br)C 240690a_100015525214_100000692419 [0,2,0,0,0,0|1,0,0]=3 5167 B13R1.12 CCNC(=O)c1cccc(c1Br)C 527a_100015525214_100000692419 [0,2,0,0,0,0|1,0,0]=3 5168 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 11a_100015525214_100012339722 [0,2,0,0,0,0|1,0,0]=3 5169 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 240690a_100015525214_100012339722 [0,2,0,0,0,0|1,0,0]=3 5170 B13R1.12 CCNC(=O)c1cccc(c1Br)Cl 527a_100015525214_100012339722 [0,2,0,0,0,0|1,0,0]=3 5171 B13R1.12 CCNC(=O)c1cccc(c1Br)F 11a_100015525214_100011217547 [0,2,0,0,0,0|1,0,0]=3 5172 B13R1.12 CCNC(=O)c1cccc(c1Br)F 240690a_100015525214_100011217547 [0,2,0,0,0,0|1,0,0]=3 5173 B13R1.12 CCNC(=O)c1cccc(c1Br)F 527a_100015525214_100011217547 [0,2,0,0,0,0|1,0,0]=3 5174 B13R1.12 CCNC(=O)c1cccc(c1Br)I 11a_100015525214_100010232522 [0,2,0,0,0,0|1,0,0]=3 5175 B13R1.12 CCNC(=O)c1cccc(c1Br)I 240690a_100015525214_100010232522 [0,2,0,0,0,0|1,0,0]=3 5176 B13R1.12 CCNC(=O)c1cccc(c1Br)I 527a_100015525214_100010232522 [0,2,0,0,0,0|1,0,0]=3 5177 B13R1.12 CCNC(=O)c1cccc(c1Br)O 240690a_100015525214_100010230362 [0,2,0,0,0,0|1,0,0]=3 5178 B13R1.12 CCNC(=O)c1cccc(c1Br)O 527a_100015525214_100010230362 [0,2,0,0,0,0|1,0,0]=3 5179 B13R1.12 CCNC(=O)c1cccc(c1C)Br 11a_100015525214_100000760464 [0,2,0,0,0,0|1,0,0]=3 5180 B13R1.12 CCNC(=O)c1cccc(c1C)Br 240690a_100015525214_100000760464 [0,2,0,0,0,0|1,0,0]=3 5181 B13R1.12 CCNC(=O)c1cccc(c1C)Br 527a_100015525214_100000760464 [0,2,0,0,0,0|1,0,0]=3 5182 B13R1.12 CCNC(=O)c1cccc(c1C)C 11a_100015525214_100000183679 [0,2,0,0,0,0|1,0,0]=3 5183 B13R1.12 CCNC(=O)c1cccc(c1C)C 240690a_100015525214_100000183679 [0,2,0,0,0,0|1,0,0]=3 5184 B13R1.12 CCNC(=O)c1cccc(c1C)C 527a_100015525214_100000183679 [0,2,0,0,0,0|1,0,0]=3 5185 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 11a_100015525214_100000690184 [0,2,0,0,0,0|1,0,0]=3 5186 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 240690a_100015525214_100000690184 [0,2,0,0,0,0|1,0,0]=3 5187 B13R1.12 CCNC(=O)c1cccc(c1C)Cl 527a_100015525214_100000690184 [0,2,0,0,0,0|1,0,0]=3 5188 B13R1.12 CCNC(=O)c1cccc(c1C)F 11a_100015525214_100011218272 [0,2,0,0,0,0|1,0,0]=3 5189 B13R1.12 CCNC(=O)c1cccc(c1C)F 240690a_100015525214_100011218272 [0,2,0,0,0,0|1,0,0]=3 5190 B13R1.12 CCNC(=O)c1cccc(c1C)F 527a_100015525214_100011218272 [0,2,0,0,0,0|1,0,0]=3 5191 B13R1.12 CCNC(=O)c1cccc(c1C)I 11a_100015525214_100000751865 [0,2,0,0,0,0|1,0,0]=3 5192 B13R1.12 CCNC(=O)c1cccc(c1C)I 240690a_100015525214_100000751865 [0,2,0,0,0,0|1,0,0]=3 5193 B13R1.12 CCNC(=O)c1cccc(c1C)I 527a_100015525214_100000751865 [0,2,0,0,0,0|1,0,0]=3 5194 B13R1.12 CCNC(=O)c1cccc(c1C)O 240690a_100015525214_100000766327 [0,2,0,0,0,0|1,0,0]=3 5195 B13R1.12 CCNC(=O)c1cccc(c1C)O 527a_100015525214_100000766327 [0,2,0,0,0,0|1,0,0]=3 5196 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 11a_100015525214_100000760540 [0,2,0,0,0,0|1,0,0]=3 5197 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 240690a_100015525214_100000760540 [0,2,0,0,0,0|1,0,0]=3 5198 B13R1.12 CCNC(=O)c1cccc(c1Cl)Br 527a_100015525214_100000760540 [0,2,0,0,0,0|1,0,0]=3 5199 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 11a_100015525214_100000693142 [0,2,0,0,0,0|1,0,0]=3 5200 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 240690a_100015525214_100000693142 [0,2,0,0,0,0|1,0,0]=3 5201 B13R1.12 CCNC(=O)c1cccc(c1Cl)C 527a_100015525214_100000693142 [0,2,0,0,0,0|1,0,0]=3 5202 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 11a_100015525214_100000183631 [0,2,0,0,0,0|1,0,0]=3 5203 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 240690a_100015525214_100000183631 [0,2,0,0,0,0|1,0,0]=3 5204 B13R1.12 CCNC(=O)c1cccc(c1Cl)Cl 527a_100015525214_100000183631 [0,2,0,0,0,0|1,0,0]=3 5205 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 11a_100015525214_100000759904 [0,2,0,0,0,0|1,0,0]=3 5206 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 240690a_100015525214_100000759904 [0,2,0,0,0,0|1,0,0]=3 5207 B13R1.12 CCNC(=O)c1cccc(c1Cl)F 527a_100015525214_100000759904 [0,2,0,0,0,0|1,0,0]=3 5208 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 11a_100015525214_100010176783 [0,2,0,0,0,0|1,0,0]=3 5209 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 240690a_100015525214_100010176783 [0,2,0,0,0,0|1,0,0]=3 5210 B13R1.12 CCNC(=O)c1cccc(c1Cl)I 527a_100015525214_100010176783 [0,2,0,0,0,0|1,0,0]=3 5211 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 240690a_100015525214_100000092362 [0,2,0,0,0,0|1,0,0]=3 5212 B13R1.12 CCNC(=O)c1cccc(c1Cl)O 527a_100015525214_100000092362 [0,2,0,0,0,0|1,0,0]=3 5213 B13R1.12 CCNC(=O)c1cccc(c1F)Br 11a_100015525214_100000756403 [0,2,0,0,0,0|1,0,0]=3 5214 B13R1.12 CCNC(=O)c1cccc(c1F)Br 240690a_100015525214_100000756403 [0,2,0,0,0,0|1,0,0]=3 5215 B13R1.12 CCNC(=O)c1cccc(c1F)Br 527a_100015525214_100000756403 [0,2,0,0,0,0|1,0,0]=3 5216 B13R1.12 CCNC(=O)c1cccc(c1F)C 11a_100015525214_100000766181 [0,2,0,0,0,0|1,0,0]=3 5217 B13R1.12 CCNC(=O)c1cccc(c1F)C 240690a_100015525214_100000766181 [0,2,0,0,0,0|1,0,0]=3 5218 B13R1.12 CCNC(=O)c1cccc(c1F)C 527a_100015525214_100000766181 [0,2,0,0,0,0|1,0,0]=3 5219 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 11a_100015525214_100000688816 [0,2,0,0,0,0|1,0,0]=3 5220 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 240690a_100015525214_100000688816 [0,2,0,0,0,0|1,0,0]=3 5221 B13R1.12 CCNC(=O)c1cccc(c1F)Cl 527a_100015525214_100000688816 [0,2,0,0,0,0|1,0,0]=3 5222 B13R1.12 CCNC(=O)c1cccc(c1F)F 11a_100015525214_100000748134 [0,2,0,0,0,0|1,0,0]=3 5223 B13R1.12 CCNC(=O)c1cccc(c1F)F 240690a_100015525214_100000748134 [0,2,0,0,0,0|1,0,0]=3 5224 B13R1.12 CCNC(=O)c1cccc(c1F)F 527a_100015525214_100000748134 [0,2,0,0,0,0|1,0,0]=3 5225 B13R1.12 CCNC(=O)c1cccc(c1F)I 11a_100015525214_100010185205 [0,2,0,0,0,0|1,0,0]=3 5226 B13R1.12 CCNC(=O)c1cccc(c1F)I 240690a_100015525214_100010185205 [0,2,0,0,0,0|1,0,0]=3 5227 B13R1.12 CCNC(=O)c1cccc(c1F)I 527a_100015525214_100010185205 [0,2,0,0,0,0|1,0,0]=3 5228 B13R1.12 CCNC(=O)c1cccc(c1F)O 240690a_100015525214_100000037433 [0,2,0,0,0,0|1,0,0]=3 5229 B13R1.12 CCNC(=O)c1cccc(c1F)O 527a_100015525214_100000037433 [0,2,0,0,0,0|1,0,0]=3 5230 B13R1.12 CCNC(=O)c1cccc(c1I)Br 11a_100015525214_100000688019 [0,2,0,0,0,0|1,0,0]=3 5231 B13R1.12 CCNC(=O)c1cccc(c1I)Br 240690a_100015525214_100000688019 [0,2,0,0,0,0|1,0,0]=3 5232 B13R1.12 CCNC(=O)c1cccc(c1I)Br 527a_100015525214_100000688019 [0,2,0,0,0,0|1,0,0]=3 5233 B13R1.12 CCNC(=O)c1cccc(c1I)C 11a_100015525214_100000739377 [0,2,0,0,0,0|1,0,0]=3 5234 B13R1.12 CCNC(=O)c1cccc(c1I)C 240690a_100015525214_100000739377 [0,2,0,0,0,0|1,0,0]=3 5235 B13R1.12 CCNC(=O)c1cccc(c1I)C 527a_100015525214_100000739377 [0,2,0,0,0,0|1,0,0]=3 5236 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 11a_100015525214_100010176784 [0,2,0,0,0,0|1,0,0]=3 5237 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 240690a_100015525214_100010176784 [0,2,0,0,0,0|1,0,0]=3 5238 B13R1.12 CCNC(=O)c1cccc(c1I)Cl 527a_100015525214_100010176784 [0,2,0,0,0,0|1,0,0]=3 5239 B13R1.12 CCNC(=O)c1cccc(c1I)F 11a_100015525214_100000690930 [0,2,0,0,0,0|1,0,0]=3 5240 B13R1.12 CCNC(=O)c1cccc(c1I)F 240690a_100015525214_100000690930 [0,2,0,0,0,0|1,0,0]=3 5241 B13R1.12 CCNC(=O)c1cccc(c1I)F 527a_100015525214_100000690930 [0,2,0,0,0,0|1,0,0]=3 5242 B13R1.12 CCNC(=O)c1cccc(c1I)O 527a_100015525214_100010084636 [0,2,0,0,0,0|1,0,0]=3 5243 B13R1.12 CCNC(=O)c1cccc(c1O)Br 240690a_100015525214_100000752940 [0,2,0,0,0,0|1,0,0]=3 5244 B13R1.12 CCNC(=O)c1cccc(c1O)Br 527a_100015525214_100000752940 [0,2,0,0,0,0|1,0,0]=3 5245 B13R1.12 CCNC(=O)c1cccc(c1O)C 240690a_100015525214_100000183896 [0,2,0,0,0,0|1,0,0]=3 5246 B13R1.12 CCNC(=O)c1cccc(c1O)C 527a_100015525214_100000183896 [0,2,0,0,0,0|1,0,0]=3 5247 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 240690a_100015525214_100000742801 [0,2,0,0,0,0|1,0,0]=3 5248 B13R1.12 CCNC(=O)c1cccc(c1O)Cl 527a_100015525214_100000742801 [0,2,0,0,0,0|1,0,0]=3 5249 B13R1.12 CCNC(=O)c1cccc(c1O)F 240690a_100015525214_100011217230 [0,2,0,0,0,0|1,0,0]=3 5250 B13R1.12 CCNC(=O)c1cccc(c1O)F 527a_100015525214_100011217230 [0,2,0,0,0,0|1,0,0]=3 5251 B13R1.12 CCNC(=O)c1cccc(c1O)O 527a_100015525214_100000690420 [0,2,0,0,0,0|1,0,0]=3 5252 B13R1.12 CCOC(=O)c1cccc(c1C)O 271570a_203496583355_100012298221 [0,2,0,0,0,0|0,0,0]=2 5253 B13R1.12 CCOC(=O)c1cccc(c1F)O 271570a_203496583355_100012350793 [0,2,0,0,0,0|0,0,0]=2 5254 B13R1.12 CCOC(=O)c1cccc(c1N)O 271570a_203496583355_200011356557 [0,2,0,0,0,0|0,0,0]=2 5255 B13R1.12 CCOC(=O)c1cccc(c1O)C 271570a_203496583355_200012184857 [0,2,0,0,0,0|0,0,0]=2 5256 B13R1.12 CCOC(=O)c1cccc(c1O)F 271570a_203496583355_100012357632 [0,2,0,0,0,0|0,0,0]=2 5257 B13R1.12 CCOC(=O)c1ccnc(c1C)O 271570a_203496583355_100000080207 [0,2,0,0,0,0|1,0,0]=3 5258 B13R1.12 CCOC(=O)c1cncc(c1C)O 271570a_203496583355_100000726969 [0,2,0,0,0,0|1,0,0]=3 5259 B13R1.12 CCOC(=O)c1cncc(c1N)O 271570a_203496583355_100010080842 [0,2,0,0,0,0|1,0,0]=3 5260 B13R1.12 CCOC(=O)c1nccc(c1F)O 271570a_203496583355_100010222487 [0,2,0,0,0,0|1,0,0]=3 5261 B13R1.12 CCOC(C)c1cccc(c1C)C 34a_100121572206_100012183177 [0,2,0,0,0,0|1,0,1]=4 5262 B13R1.12 CCOC(C)c1cccc(c1F)Br 34a_200012356376_100000210202 [0,2,0,0,0,0|1,0,1]=4 5263 B13R1.12 CCOC(C)c1cccc(c1F)Br 7a_200012356376_100000210202 [0,2,0,0,0,0|1,0,1]=4 5264 B13R1.12 CCOC(C)c1cccc(c1F)F 34a_100011944069_100000210202 [0,2,0,0,0,0|1,0,1]=4 5265 B13R1.12 CCOC(C)c1cccc(c1F)F 7a_100011944069_100000210202 [0,2,0,0,0,0|1,0,1]=4 5266 B13R1.12 CNCC(=O)c1cccc(c1C)I 34a_100102657272_100160470822 [0,2,0,0,0,0|2,0,0]=4 5267 B13R1.12 CNCC(=O)c1cccc(c1C)I 7a_106832991635_100160470822 [0,2,0,0,0,0|2,0,0]=4 5268 B13R1.12 CNCC(=O)c1cccc(c1F)Br 2230a_106832991635_100012356374 [0,2,0,0,0,0|2,0,0]=4 5269 B13R1.12 CNCC(=O)c1cccc(c1F)Br 34a_100102657272_100012356374 [0,2,0,0,0,0|2,0,0]=4 5270 B13R1.12 CNCC(=O)c1cccc(c1F)Br 7a_106832991635_100012356374 [0,2,0,0,0,0|2,0,0]=4 5271 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 2230a_106832991635_200012351890 [0,2,0,0,0,0|2,0,0]=4 5272 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 34a_100102657272_200012351890 [0,2,0,0,0,0|2,0,0]=4 5273 B13R1.12 CNCC(=O)c1cccc(c1F)Cl 7a_106832991635_200012351890 [0,2,0,0,0,0|2,0,0]=4 5274 B13R1.12 CNNC(=O)c1cccc(c1Br)Br 22a_100016993582_100012360534 [0,2,0,0,0,0|2,0,0]=4 5275 B13R1.12 CNNC(=O)c1cccc(c1Br)C 22a_100016993582_100000692419 [0,2,0,0,0,0|2,0,0]=4 5276 B13R1.12 CNNC(=O)c1cccc(c1Br)Cl 22a_100016993582_100012339722 [0,2,0,0,0,0|2,0,0]=4 5277 B13R1.12 CNNC(=O)c1cccc(c1Br)F 22a_100016993582_100011217547 [0,2,0,0,0,0|2,0,0]=4 5278 B13R1.12 CNNC(=O)c1cccc(c1Br)I 22a_100016993582_100010232522 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.12 CNNC(=O)c1cccc(c1Br)O 22a_100016993582_100010230362 [0,2,0,0,0,0|2,0,0]=4 5280 B13R1.12 CNNC(=O)c1cccc(c1C)Br 22a_100016993582_100000760464 [0,2,0,0,0,0|2,0,0]=4 5281 B13R1.12 CNNC(=O)c1cccc(c1C)C 22a_100016993582_100000183679 [0,2,0,0,0,0|2,0,0]=4 5282 B13R1.12 CNNC(=O)c1cccc(c1C)Cl 22a_100016993582_100000690184 [0,2,0,0,0,0|2,0,0]=4 5283 B13R1.12 CNNC(=O)c1cccc(c1C)F 22a_100016993582_100011218272 [0,2,0,0,0,0|2,0,0]=4 5284 B13R1.12 CNNC(=O)c1cccc(c1C)I 22a_100016993582_100000751865 [0,2,0,0,0,0|2,0,0]=4 5285 B13R1.12 CNNC(=O)c1cccc(c1C)O 22a_100016993582_100000766327 [0,2,0,0,0,0|2,0,0]=4 5286 B13R1.12 CNNC(=O)c1cccc(c1Cl)Br 22a_100016993582_100000760540 [0,2,0,0,0,0|2,0,0]=4 5287 B13R1.12 CNNC(=O)c1cccc(c1Cl)C 22a_100016993582_100000693142 [0,2,0,0,0,0|2,0,0]=4 5288 B13R1.12 CNNC(=O)c1cccc(c1Cl)Cl 22a_100016993582_100000183631 [0,2,0,0,0,0|2,0,0]=4 5289 B13R1.12 CNNC(=O)c1cccc(c1Cl)F 22a_100016993582_100000759904 [0,2,0,0,0,0|2,0,0]=4 5290 B13R1.12 CNNC(=O)c1cccc(c1Cl)I 22a_100016993582_100010176783 [0,2,0,0,0,0|2,0,0]=4 5291 B13R1.12 CNNC(=O)c1cccc(c1Cl)O 22a_100016993582_100000092362 [0,2,0,0,0,0|2,0,0]=4 5292 B13R1.12 CNNC(=O)c1cccc(c1F)Br 22a_100016993582_100000756403 [0,2,0,0,0,0|2,0,0]=4 5293 B13R1.12 CNNC(=O)c1cccc(c1F)C 22a_100016993582_100000766181 [0,2,0,0,0,0|2,0,0]=4 5294 B13R1.12 CNNC(=O)c1cccc(c1F)Cl 22a_100016993582_100000688816 [0,2,0,0,0,0|2,0,0]=4 5295 B13R1.12 CNNC(=O)c1cccc(c1F)F 22a_100016993582_100000748134 [0,2,0,0,0,0|2,0,0]=4 5296 B13R1.12 CNNC(=O)c1cccc(c1F)I 22a_100016993582_100010185205 [0,2,0,0,0,0|2,0,0]=4 5297 B13R1.12 CNNC(=O)c1cccc(c1F)O 22a_100016993582_100000037433 [0,2,0,0,0,0|2,0,0]=4 5298 B13R1.12 CNNC(=O)c1cccc(c1I)Br 22a_100016993582_100000688019 [0,2,0,0,0,0|2,0,0]=4 5299 B13R1.12 CNNC(=O)c1cccc(c1I)C 22a_100016993582_100000739377 [0,2,0,0,0,0|2,0,0]=4 5300 B13R1.12 CNNC(=O)c1cccc(c1I)Cl 22a_100016993582_100010176784 [0,2,0,0,0,0|2,0,0]=4 5301 B13R1.12 CNNC(=O)c1cccc(c1I)F 22a_100016993582_100000690930 [0,2,0,0,0,0|2,0,0]=4 5302 B13R1.12 CNNC(=O)c1cccc(c1I)O 22a_100016993582_100010084636 [0,2,0,0,0,0|2,0,0]=4 5303 B13R1.12 CNNC(=O)c1cccc(c1O)Br 22a_100016993582_100000752940 [0,2,0,0,0,0|2,0,0]=4 5304 B13R1.12 CNNC(=O)c1cccc(c1O)C 22a_100016993582_100000183896 [0,2,0,0,0,0|2,0,0]=4 5305 B13R1.12 CNNC(=O)c1cccc(c1O)Cl 22a_100016993582_100000742801 [0,2,0,0,0,0|2,0,0]=4 5306 B13R1.12 CNNC(=O)c1cccc(c1O)F 22a_100016993582_100011217230 [0,2,0,0,0,0|2,0,0]=4 5307 B13R1.12 CNNC(=O)c1cccc(c1O)O 22a_100016993582_100000690420 [0,2,0,0,0,0|2,0,0]=4 5308 B13R1.12 COCC(=O)c1cccc(c1C)I 34a_100138415774_100160470822 [0,2,0,0,0,0|2,0,0]=4 5309 B13R1.12 COCC(=O)c1cccc(c1F)Br 34a_100138415774_100012356374 [0,2,0,0,0,0|2,0,0]=4 5310 B13R1.12 COCC(=O)c1cccc(c1F)Cl 34a_100138415774_200012351890 [0,2,0,0,0,0|2,0,0]=4 5311 B13R1.12 CSCC(=O)c1cccc(c1C)I 62a_100160470822_200000210301 [0,2,0,0,0,0|2,0,0]=4 5312 B13R1.12 CSCC(=O)c1cccc(c1C)I 62a_200000210301_100160470822 [0,2,0,0,0,0|2,0,0]=4 5313 B13R1.12 CSCC(=O)c1cccc(c1F)Br 62a_100012356374_200000210301 [0,2,0,0,0,0|2,0,0]=4 5314 B13R1.12 CSCC(=O)c1cccc(c1F)Br 62a_200000210301_100012356374 [0,2,0,0,0,0|2,0,0]=4 5315 B13R1.12 CSCC(=O)c1cccc(c1F)Cl 62a_200000210301_200012351890 [0,2,0,0,0,0|2,0,0]=4 5316 B13R1.12 CSCC(=O)c1cccc(c1F)Cl 62a_200012351890_200000210301 [0,2,0,0,0,0|2,0,0]=4 5317 B13R1.12 Cc1c(cccc1C(=O)CCF)Br 1458a_100000760464_100011217306 [0,2,0,0,0,0|2,0,0]=4 5318 B13R1.12 Cc1c(cccc1C(=O)CCF)Cl 1458a_100000690184_100011217306 [0,2,0,0,0,0|2,0,0]=4 5319 B13R1.12 Cc1c(cccc1C(=O)CCF)F 1458a_100011218272_100011217306 [0,2,0,0,0,0|2,0,0]=4 5320 B13R1.12 Cc1c(cccc1C(=O)CCF)I 1458a_100000751865_100011217306 [0,2,0,0,0,0|2,0,0]=4 5321 B13R1.12 Cc1c(cccc1C(=O)CCF)O 1458a_100000766327_100011217306 [0,2,0,0,0,0|2,0,0]=4 5322 B13R1.12 Cc1c(cccc1C(=O)CCO)Br 1458a_100000760464_100000211926 [0,2,0,0,0,0|2,0,0]=4 5323 B13R1.12 Cc1c(cccc1C(=O)CCO)Cl 1458a_100000690184_100000211926 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.12 Cc1c(cccc1C(=O)CCO)F 1458a_100011218272_100000211926 [0,2,0,0,0,0|2,0,0]=4 5325 B13R1.12 Cc1c(cccc1C(=O)CCO)I 1458a_100000751865_100000211926 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.12 Cc1c(cccc1C(=O)CCO)O 1458a_100000766327_100000211926 [0,2,0,0,0,0|2,0,0]=4 5327 B13R1.12 Cc1c(cccc1C(=O)CS[13CH3])I 62a_100160470822_200025704644 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.12 Cc1c(cccc1C(=O)CS[13CH3])I 62a_200025704644_100160470822 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.12 Cc1cccc(c1Br)C(=O)CCF 1458a_100000692419_100011217306 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.12 Cc1cccc(c1Br)C(=O)CCO 1458a_100000692419_100000211926 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.12 Cc1cccc(c1C)C(=O)CCF 1458a_100000183679_100011217306 [0,2,0,0,0,0|2,0,0]=4 5332 B13R1.12 Cc1cccc(c1C)C(=O)CCO 1458a_100000183679_100000211926 [0,2,0,0,0,0|2,0,0]=4 5333 B13R1.12 Cc1cccc(c1Cl)C(=O)CCF 1458a_100000693142_100011217306 [0,2,0,0,0,0|2,0,0]=4 5334 B13R1.12 Cc1cccc(c1Cl)C(=O)CCO 1458a_100000693142_100000211926 [0,2,0,0,0,0|2,0,0]=4 5335 B13R1.12 Cc1cccc(c1F)C(=O)CCF 1458a_100000766181_100011217306 [0,2,0,0,0,0|2,0,0]=4 5336 B13R1.12 Cc1cccc(c1F)C(=O)CCO 1458a_100000766181_100000211926 [0,2,0,0,0,0|2,0,0]=4 5337 B13R1.12 Cc1cccc(c1I)C(=O)CCF 1458a_100000739377_100011217306 [0,2,0,0,0,0|2,0,0]=4 5338 B13R1.12 Cc1cccc(c1I)C(=O)CCO 1458a_100000739377_100000211926 [0,2,0,0,0,0|2,0,0]=4 5339 B13R1.12 Cc1cccc(c1O)C(=O)CCF 1458a_100000183896_100011217306 [0,2,0,0,0,0|2,0,0]=4 5340 B13R1.12 Cc1cccc(c1O)C(=O)CCO 1458a_100000183896_100000211926 [0,2,0,0,0,0|2,0,0]=4 5341 B13R1.12 O=C(CCF)c1cccc(c1Br)Br 1458a_100012360534_100011217306 [0,2,0,0,0,0|2,0,0]=4 5342 B13R1.12 O=C(CCF)c1cccc(c1Br)Cl 1458a_100012339722_100011217306 [0,2,0,0,0,0|2,0,0]=4 5343 B13R1.12 O=C(CCF)c1cccc(c1Br)F 1458a_100011217547_100011217306 [0,2,0,0,0,0|2,0,0]=4 5344 B13R1.12 O=C(CCF)c1cccc(c1Br)I 1458a_100010232522_100011217306 [0,2,0,0,0,0|2,0,0]=4 5345 B13R1.12 O=C(CCF)c1cccc(c1Br)O 1458a_100010230362_100011217306 [0,2,0,0,0,0|2,0,0]=4 5346 B13R1.12 O=C(CCF)c1cccc(c1Cl)Br 1458a_100000760540_100011217306 [0,2,0,0,0,0|2,0,0]=4 5347 B13R1.12 O=C(CCF)c1cccc(c1Cl)Cl 1458a_100000183631_100011217306 [0,2,0,0,0,0|2,0,0]=4 5348 B13R1.12 O=C(CCF)c1cccc(c1Cl)F 1458a_100000759904_100011217306 [0,2,0,0,0,0|2,0,0]=4 5349 B13R1.12 O=C(CCF)c1cccc(c1Cl)I 1458a_100010176783_100011217306 [0,2,0,0,0,0|2,0,0]=4 5350 B13R1.12 O=C(CCF)c1cccc(c1Cl)O 1458a_100000092362_100011217306 [0,2,0,0,0,0|2,0,0]=4 5351 B13R1.12 O=C(CCF)c1cccc(c1F)Br 1458a_100000756403_100011217306 [0,2,0,0,0,0|2,0,0]=4 5352 B13R1.12 O=C(CCF)c1cccc(c1F)Cl 1458a_100000688816_100011217306 [0,2,0,0,0,0|2,0,0]=4 5353 B13R1.12 O=C(CCF)c1cccc(c1F)F 1458a_100000748134_100011217306 [0,2,0,0,0,0|2,0,0]=4 5354 B13R1.12 O=C(CCF)c1cccc(c1F)I 1458a_100010185205_100011217306 [0,2,0,0,0,0|2,0,0]=4 5355 B13R1.12 O=C(CCF)c1cccc(c1F)O 1458a_100000037433_100011217306 [0,2,0,0,0,0|2,0,0]=4 5356 B13R1.12 O=C(CCF)c1cccc(c1I)Br 1458a_100000688019_100011217306 [0,2,0,0,0,0|2,0,0]=4 5357 B13R1.12 O=C(CCF)c1cccc(c1I)Cl 1458a_100010176784_100011217306 [0,2,0,0,0,0|2,0,0]=4 5358 B13R1.12 O=C(CCF)c1cccc(c1I)F 1458a_100000690930_100011217306 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.12 O=C(CCF)c1cccc(c1I)O 1458a_100010084636_100011217306 [0,2,0,0,0,0|2,0,0]=4 5360 B13R1.12 O=C(CCF)c1cccc(c1O)Br 1458a_100000752940_100011217306 [0,2,0,0,0,0|2,0,0]=4 5361 B13R1.12 O=C(CCF)c1cccc(c1O)Cl 1458a_100000742801_100011217306 [0,2,0,0,0,0|2,0,0]=4 5362 B13R1.12 O=C(CCF)c1cccc(c1O)F 1458a_100011217230_100011217306 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.12 O=C(CCF)c1cccc(c1O)O 1458a_100000690420_100011217306 [0,2,0,0,0,0|2,0,0]=4 5364 B13R1.12 O=C(CCO)c1cccc(c1Br)Br 1458a_100012360534_100000211926 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.12 O=C(CCO)c1cccc(c1Br)Cl 1458a_100012339722_100000211926 [0,2,0,0,0,0|2,0,0]=4 5366 B13R1.12 O=C(CCO)c1cccc(c1Br)F 1458a_100011217547_100000211926 [0,2,0,0,0,0|2,0,0]=4 5367 B13R1.12 O=C(CCO)c1cccc(c1Br)I 1458a_100010232522_100000211926 [0,2,0,0,0,0|2,0,0]=4 5368 B13R1.12 O=C(CCO)c1cccc(c1Br)O 1458a_100010230362_100000211926 [0,2,0,0,0,0|2,0,0]=4 5369 B13R1.12 O=C(CCO)c1cccc(c1Cl)Br 1458a_100000760540_100000211926 [0,2,0,0,0,0|2,0,0]=4 5370 B13R1.12 O=C(CCO)c1cccc(c1Cl)Cl 1458a_100000183631_100000211926 [0,2,0,0,0,0|2,0,0]=4 5371 B13R1.12 O=C(CCO)c1cccc(c1Cl)F 1458a_100000759904_100000211926 [0,2,0,0,0,0|2,0,0]=4 5372 B13R1.12 O=C(CCO)c1cccc(c1Cl)I 1458a_100010176783_100000211926 [0,2,0,0,0,0|2,0,0]=4 5373 B13R1.12 O=C(CCO)c1cccc(c1Cl)O 1458a_100000092362_100000211926 [0,2,0,0,0,0|2,0,0]=4 5374 B13R1.12 O=C(CCO)c1cccc(c1F)Br 1458a_100000756403_100000211926 [0,2,0,0,0,0|2,0,0]=4 5375 B13R1.12 O=C(CCO)c1cccc(c1F)Cl 1458a_100000688816_100000211926 [0,2,0,0,0,0|2,0,0]=4 5376 B13R1.12 O=C(CCO)c1cccc(c1F)F 1458a_100000748134_100000211926 [0,2,0,0,0,0|2,0,0]=4 5377 B13R1.12 O=C(CCO)c1cccc(c1F)I 1458a_100010185205_100000211926 [0,2,0,0,0,0|2,0,0]=4 5378 B13R1.12 O=C(CCO)c1cccc(c1F)O 1458a_100000037433_100000211926 [0,2,0,0,0,0|2,0,0]=4 5379 B13R1.12 O=C(CCO)c1cccc(c1I)Br 1458a_100000688019_100000211926 [0,2,0,0,0,0|2,0,0]=4 5380 B13R1.12 O=C(CCO)c1cccc(c1I)Cl 1458a_100010176784_100000211926 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.12 O=C(CCO)c1cccc(c1I)F 1458a_100000690930_100000211926 [0,2,0,0,0,0|2,0,0]=4 5382 B13R1.12 O=C(CCO)c1cccc(c1I)O 1458a_100010084636_100000211926 [0,2,0,0,0,0|2,0,0]=4 5383 B13R1.12 O=C(CCO)c1cccc(c1O)Br 1458a_100000752940_100000211926 [0,2,0,0,0,0|2,0,0]=4 5384 B13R1.12 O=C(CCO)c1cccc(c1O)Cl 1458a_100000742801_100000211926 [0,2,0,0,0,0|2,0,0]=4 5385 B13R1.12 O=C(CCO)c1cccc(c1O)F 1458a_100011217230_100000211926 [0,2,0,0,0,0|2,0,0]=4 5386 B13R1.12 O=C(CCO)c1cccc(c1O)O 1458a_100000690420_100000211926 [0,2,0,0,0,0|2,0,0]=4 5387 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Br 62a_100012356374_200025704644 [0,2,0,0,0,0|2,0,0]=4 5388 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Br 62a_200025704644_100012356374 [0,2,0,0,0,0|2,0,0]=4 5389 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Cl 62a_200012351890_200025704644 [0,2,0,0,0,0|2,0,0]=4 5390 B13R1.12 [13CH3]SCC(=O)c1cccc(c1F)Cl 62a_200025704644_200012351890 [0,2,0,0,0,0|2,0,0]=4 5391 B13R1.18 C#CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000753159 [0,2,0,0,0,0|1,0,1]=4 5392 B13R1.18 C#CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000753159 [0,2,0,0,0,0|1,0,1]=4 5393 B13R1.18 C#CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000753159 [0,2,0,0,0,0|1,0,1]=4 5394 B13R1.18 C#CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000753159 [0,2,0,0,0,0|1,0,1]=4 5395 B13R1.18 C#CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000753159 [0,2,0,0,0,0|1,0,1]=4 5396 B13R1.18 C#CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000753159 [0,2,0,0,0,0|1,0,1]=4 5397 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 11a_100000212058_100000210664 [0,2,0,0,0,0|1,0,1]=4 5398 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 1626a_100000212058_100000210664 [0,2,0,0,0,0|1,0,1]=4 5399 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 240690a_100000212058_100000210664 [0,2,0,0,0,0|1,0,1]=4 5400 B13R1.18 C#CCNC(=O)c1cccc(c1)Br 527a_100000212058_100000210664 [0,2,0,0,0,0|1,0,1]=4 5401 B13R1.18 C#CCNC(=O)c1cccc(c1)C 11a_100000212058_100000189346 [0,2,0,0,0,0|1,0,1]=4 5402 B13R1.18 C#CCNC(=O)c1cccc(c1)C 1626a_100000212058_100000189346 [0,2,0,0,0,0|1,0,1]=4 5403 B13R1.18 C#CCNC(=O)c1cccc(c1)C 240690a_100000212058_100000189346 [0,2,0,0,0,0|1,0,1]=4 5404 B13R1.18 C#CCNC(=O)c1cccc(c1)C 527a_100000212058_100000189346 [0,2,0,0,0,0|1,0,1]=4 5405 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 11a_100000212058_100000210390 [0,2,0,0,0,0|1,0,1]=4 5406 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 1626a_100000212058_100000210390 [0,2,0,0,0,0|1,0,1]=4 5407 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 240690a_100000212058_100000210390 [0,2,0,0,0,0|1,0,1]=4 5408 B13R1.18 C#CCNC(=O)c1cccc(c1)Cl 527a_100000212058_100000210390 [0,2,0,0,0,0|1,0,1]=4 5409 B13R1.18 C#CCNC(=O)c1cccc(c1)F 11a_100000212058_100000210950 [0,2,0,0,0,0|1,0,1]=4 5410 B13R1.18 C#CCNC(=O)c1cccc(c1)F 1626a_100000212058_100000210950 [0,2,0,0,0,0|1,0,1]=4 5411 B13R1.18 C#CCNC(=O)c1cccc(c1)F 240690a_100000212058_100000210950 [0,2,0,0,0,0|1,0,1]=4 5412 B13R1.18 C#CCNC(=O)c1cccc(c1)F 527a_100000212058_100000210950 [0,2,0,0,0,0|1,0,1]=4 5413 B13R1.18 C#CCNC(=O)c1cccc(c1)I 11a_100000212058_100000184098 [0,2,0,0,0,0|1,0,1]=4 5414 B13R1.18 C#CCNC(=O)c1cccc(c1)I 1626a_100000212058_100000184098 [0,2,0,0,0,0|1,0,1]=4 5415 B13R1.18 C#CCNC(=O)c1cccc(c1)I 240690a_100000212058_100000184098 [0,2,0,0,0,0|1,0,1]=4 5416 B13R1.18 C#CCNC(=O)c1cccc(c1)I 527a_100000212058_100000184098 [0,2,0,0,0,0|1,0,1]=4 5417 B13R1.18 C#CCNC(=O)c1cccc(c1)O 240690a_100000212058_100000183914 [0,2,0,0,0,0|1,0,1]=4 5418 B13R1.18 C#CCNC(=O)c1cccc(c1)O 527a_100000212058_100000183914 [0,2,0,0,0,0|1,0,1]=4 5419 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Br 1458a_100000210664_100102629194 [0,2,0,0,0,0|1,0,1]=4 5420 B13R1.18 C/C=C/CC(=O)c1cccc(c1)C 1458a_100000189346_100102629194 [0,2,0,0,0,0|1,0,1]=4 5421 B13R1.18 C/C=C/CC(=O)c1cccc(c1)Cl 1458a_100000210390_100102629194 [0,2,0,0,0,0|1,0,1]=4 5422 B13R1.18 C/C=C/CC(=O)c1cccc(c1)F 1458a_100000210950_100102629194 [0,2,0,0,0,0|1,0,1]=4 5423 B13R1.18 C/C=C/CC(=O)c1cccc(c1)I 1458a_100000184098_100102629194 [0,2,0,0,0,0|1,0,1]=4 5424 B13R1.18 C/C=C/CC(=O)c1cccc(c1)O 1458a_100000183914_100102629194 [0,2,0,0,0,0|1,0,1]=4 5425 B13R1.18 C=CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000754431 [0,2,0,0,0,0|1,0,1]=4 5426 B13R1.18 C=CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000754431 [0,2,0,0,0,0|1,0,1]=4 5427 B13R1.18 C=CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000754431 [0,2,0,0,0,0|1,0,1]=4 5428 B13R1.18 C=CCCC(=O)c1cccc(c1)F 1458a_100000210950_100000754431 [0,2,0,0,0,0|1,0,1]=4 5429 B13R1.18 C=CCCC(=O)c1cccc(c1)I 1458a_100000184098_100000754431 [0,2,0,0,0,0|1,0,1]=4 5430 B13R1.18 C=CCCC(=O)c1cccc(c1)O 1458a_100000183914_100000754431 [0,2,0,0,0,0|1,0,1]=4 5431 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 1626a_100020586998_100000210664 [0,2,0,0,0,0|1,0,1]=4 5432 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 240690a_100020586998_100000210664 [0,2,0,0,0,0|1,0,1]=4 5433 B13R1.18 C=CCNC(=O)c1cccc(c1)Br 527a_100020586998_100000210664 [0,2,0,0,0,0|1,0,1]=4 5434 B13R1.18 C=CCNC(=O)c1cccc(c1)C 1626a_100020586998_100000189346 [0,2,0,0,0,0|1,0,1]=4 5435 B13R1.18 C=CCNC(=O)c1cccc(c1)C 240690a_100020586998_100000189346 [0,2,0,0,0,0|1,0,1]=4 5436 B13R1.18 C=CCNC(=O)c1cccc(c1)C 527a_100020586998_100000189346 [0,2,0,0,0,0|1,0,1]=4 5437 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 1626a_100020586998_100000210390 [0,2,0,0,0,0|1,0,1]=4 5438 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 240690a_100020586998_100000210390 [0,2,0,0,0,0|1,0,1]=4 5439 B13R1.18 C=CCNC(=O)c1cccc(c1)Cl 527a_100020586998_100000210390 [0,2,0,0,0,0|1,0,1]=4 5440 B13R1.18 C=CCNC(=O)c1cccc(c1)F 1626a_100020586998_100000210950 [0,2,0,0,0,0|1,0,1]=4 5441 B13R1.18 C=CCNC(=O)c1cccc(c1)F 240690a_100020586998_100000210950 [0,2,0,0,0,0|1,0,1]=4 5442 B13R1.18 C=CCNC(=O)c1cccc(c1)F 527a_100020586998_100000210950 [0,2,0,0,0,0|1,0,1]=4 5443 B13R1.18 C=CCNC(=O)c1cccc(c1)I 1626a_100020586998_100000184098 [0,2,0,0,0,0|1,0,1]=4 5444 B13R1.18 C=CCNC(=O)c1cccc(c1)I 240690a_100020586998_100000184098 [0,2,0,0,0,0|1,0,1]=4 5445 B13R1.18 C=CCNC(=O)c1cccc(c1)I 527a_100020586998_100000184098 [0,2,0,0,0,0|1,0,1]=4 5446 B13R1.18 C=CCNC(=O)c1cccc(c1)O 240690a_100020586998_100000183914 [0,2,0,0,0,0|1,0,1]=4 5447 B13R1.18 C=CCNC(=O)c1cccc(c1)O 527a_100020586998_100000183914 [0,2,0,0,0,0|1,0,1]=4 5448 B13R1.18 CC#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000748600 [0,2,0,0,0,0|1,0,1]=4 5449 B13R1.18 CC#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000748600 [0,2,0,0,0,0|1,0,1]=4 5450 B13R1.18 CC#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748600 [0,2,0,0,0,0|1,0,1]=4 5451 B13R1.18 CC#CCC(=O)c1cccc(c1)F 1458a_100000210950_100000748600 [0,2,0,0,0,0|1,0,1]=4 5452 B13R1.18 CC#CCC(=O)c1cccc(c1)I 1458a_100000184098_100000748600 [0,2,0,0,0,0|1,0,1]=4 5453 B13R1.18 CC#CCC(=O)c1cccc(c1)O 1458a_100000183914_100000748600 [0,2,0,0,0,0|1,0,1]=4 5454 B13R1.18 CC(OCCF)c1cccc(c1)Br 34a_100000246457_100011217306 [0,2,0,0,0,0|1,0,1]=4 5455 B13R1.18 CC(OCCF)c1cccc(c1)Br 7a_100000246457_100011217306 [0,2,0,0,0,0|1,0,1]=4 5456 B13R1.18 CC(OCCF)c1cccc(c1)F 34a_100000744526_100011217306 [0,2,0,0,0,0|1,0,1]=4 5457 B13R1.18 CC(OCCF)c1cccc(c1)F 7a_100000744526_100011217306 [0,2,0,0,0,0|1,0,1]=4 5458 B13R1.18 CC(OCCF)c1cccc(c1)I 34a_100013085317_100011217306 [0,2,0,0,0,0|1,0,1]=4 5459 B13R1.18 CC(OCCF)c1cccc(c1)I 7a_100013085317_100011217306 [0,2,0,0,0,0|1,0,1]=4 5460 B13R1.18 CC(OCCF)c1cccc(c1)N 34a_100011217120_100011217306 [0,2,0,0,0,0|1,0,1]=4 5461 B13R1.18 CC(OCCF)c1cccc(c1)N 7a_100011217120_100011217306 [0,2,0,0,0,0|1,0,1]=4 5462 B13R1.18 CC(OCCO)c1cccc(c1)Br 34a_100000246457_100000211926 [0,2,0,0,0,0|1,0,1]=4 5463 B13R1.18 CC(OCCO)c1cccc(c1)Br 7a_100000246457_100000211926 [0,2,0,0,0,0|1,0,1]=4 5464 B13R1.18 CC(OCCO)c1cccc(c1)F 34a_100000744526_100000211926 [0,2,0,0,0,0|1,0,1]=4 5465 B13R1.18 CC(OCCO)c1cccc(c1)F 7a_100000744526_100000211926 [0,2,0,0,0,0|1,0,1]=4 5466 B13R1.18 CC(OCCO)c1cccc(c1)I 34a_100013085317_100000211926 [0,2,0,0,0,0|1,0,1]=4 5467 B13R1.18 CC(OCCO)c1cccc(c1)I 7a_100013085317_100000211926 [0,2,0,0,0,0|1,0,1]=4 5468 B13R1.18 CC(OCCO)c1cccc(c1)N 34a_100011217120_100000211926 [0,2,0,0,0,0|1,0,1]=4 5469 B13R1.18 CC(OCCO)c1cccc(c1)N 7a_100011217120_100000211926 [0,2,0,0,0,0|1,0,1]=4 5470 B13R1.18 CC=CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000070051 [0,2,0,0,0,0|1,0,1]=4 5471 B13R1.18 CC=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000070051 [0,2,0,0,0,0|1,0,1]=4 5472 B13R1.18 CC=CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000070051 [0,2,0,0,0,0|1,0,1]=4 5473 B13R1.18 CC=CCC(=O)c1cccc(c1)F 1458a_100000210950_100000070051 [0,2,0,0,0,0|1,0,1]=4 5474 B13R1.18 CC=CCC(=O)c1cccc(c1)I 1458a_100000184098_100000070051 [0,2,0,0,0,0|1,0,1]=4 5475 B13R1.18 CC=CCC(=O)c1cccc(c1)O 1458a_100000183914_100000070051 [0,2,0,0,0,0|1,0,1]=4 5476 B13R1.18 CC=NNC(=O)c1cccc(c1)Br 4a_100000189783_200000210099 [0,2,0,0,0,0|1,0,1]=4 5477 B13R1.18 CC=NNC(=O)c1cccc(c1)C 4a_100000189845_200000210099 [0,2,0,0,0,0|1,0,1]=4 5478 B13R1.18 CC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_200000210099 [0,2,0,0,0,0|1,0,1]=4 5479 B13R1.18 CC=NNC(=O)c1cccc(c1)F 4a_100000189798_200000210099 [0,2,0,0,0,0|1,0,1]=4 5480 B13R1.18 CC=NNC(=O)c1cccc(c1)I 4a_100000186306_200000210099 [0,2,0,0,0,0|1,0,1]=4 5481 B13R1.18 CCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210211 [0,2,0,0,0,0|1,0,0]=3 5482 B13R1.18 CCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210211 [0,2,0,0,0,0|1,0,0]=3 5483 B13R1.18 CCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210211 [0,2,0,0,0,0|1,0,0]=3 5484 B13R1.18 CCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210211 [0,2,0,0,0,0|1,0,0]=3 5485 B13R1.18 CCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210211 [0,2,0,0,0,0|1,0,0]=3 5486 B13R1.18 CCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210211 [0,2,0,0,0,0|1,0,0]=3 5487 B13R1.18 CCCCS(=O)c1cccc(c1)O 271570a_203496583355_200010264433 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.18 CCCNC(=O)c1cccc(c1)Br 11a_100020643023_100000210664 [0,2,0,0,0,0|1,0,0]=3 5489 B13R1.18 CCCNC(=O)c1cccc(c1)Br 1626a_100020643023_100000210664 [0,2,0,0,0,0|1,0,0]=3 5490 B13R1.18 CCCNC(=O)c1cccc(c1)Br 240690a_100020643023_100000210664 [0,2,0,0,0,0|1,0,0]=3 5491 B13R1.18 CCCNC(=O)c1cccc(c1)Br 527a_100020643023_100000210664 [0,2,0,0,0,0|1,0,0]=3 5492 B13R1.18 CCCNC(=O)c1cccc(c1)C 11a_100020643023_100000189346 [0,2,0,0,0,0|1,0,0]=3 5493 B13R1.18 CCCNC(=O)c1cccc(c1)C 1626a_100020643023_100000189346 [0,2,0,0,0,0|1,0,0]=3 5494 B13R1.18 CCCNC(=O)c1cccc(c1)C 240690a_100020643023_100000189346 [0,2,0,0,0,0|1,0,0]=3 5495 B13R1.18 CCCNC(=O)c1cccc(c1)C 527a_100020643023_100000189346 [0,2,0,0,0,0|1,0,0]=3 5496 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 11a_100020643023_100000210390 [0,2,0,0,0,0|1,0,0]=3 5497 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 1626a_100020643023_100000210390 [0,2,0,0,0,0|1,0,0]=3 5498 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 240690a_100020643023_100000210390 [0,2,0,0,0,0|1,0,0]=3 5499 B13R1.18 CCCNC(=O)c1cccc(c1)Cl 527a_100020643023_100000210390 [0,2,0,0,0,0|1,0,0]=3 5500 B13R1.18 CCCNC(=O)c1cccc(c1)F 11a_100020643023_100000210950 [0,2,0,0,0,0|1,0,0]=3 5501 B13R1.18 CCCNC(=O)c1cccc(c1)F 1626a_100020643023_100000210950 [0,2,0,0,0,0|1,0,0]=3 5502 B13R1.18 CCCNC(=O)c1cccc(c1)F 240690a_100020643023_100000210950 [0,2,0,0,0,0|1,0,0]=3 5503 B13R1.18 CCCNC(=O)c1cccc(c1)F 527a_100020643023_100000210950 [0,2,0,0,0,0|1,0,0]=3 5504 B13R1.18 CCCNC(=O)c1cccc(c1)I 11a_100020643023_100000184098 [0,2,0,0,0,0|1,0,0]=3 5505 B13R1.18 CCCNC(=O)c1cccc(c1)I 1626a_100020643023_100000184098 [0,2,0,0,0,0|1,0,0]=3 5506 B13R1.18 CCCNC(=O)c1cccc(c1)I 240690a_100020643023_100000184098 [0,2,0,0,0,0|1,0,0]=3 5507 B13R1.18 CCCNC(=O)c1cccc(c1)I 527a_100020643023_100000184098 [0,2,0,0,0,0|1,0,0]=3 5508 B13R1.18 CCCNC(=O)c1cccc(c1)O 240690a_100020643023_100000183914 [0,2,0,0,0,0|1,0,0]=3 5509 B13R1.18 CCCNC(=O)c1cccc(c1)O 271570a_203496583355_200000152271 [0,2,0,0,0,0|1,0,0]=3 5510 B13R1.18 CCCNC(=O)c1cccc(c1)O 527a_100020643023_100000183914 [0,2,0,0,0,0|1,0,0]=3 5511 B13R1.18 CCCNC(=O)c1cncc(c1)O 271570a_203496583355_200000152275 [0,2,0,0,0,0|2,0,0]=4 5512 B13R1.18 CCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210303 [0,2,0,0,0,0|1,0,1]=4 5513 B13R1.18 CCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210303 [0,2,0,0,0,0|1,0,1]=4 5514 B13R1.18 CCCOC(C)c1cccc(c1)C 34a_100000757818_100000210303 [0,2,0,0,0,0|1,0,1]=4 5515 B13R1.18 CCCOC(C)c1cccc(c1)C 7a_100000757818_100000210303 [0,2,0,0,0,0|1,0,1]=4 5516 B13R1.18 CCCOC(C)c1cccc(c1)F 34a_100000744526_100000210303 [0,2,0,0,0,0|1,0,1]=4 5517 B13R1.18 CCCOC(C)c1cccc(c1)F 7a_100000744526_100000210303 [0,2,0,0,0,0|1,0,1]=4 5518 B13R1.18 CCCOC(C)c1cccc(c1)I 34a_100013085317_100000210303 [0,2,0,0,0,0|1,0,1]=4 5519 B13R1.18 CCCOC(C)c1cccc(c1)I 7a_100013085317_100000210303 [0,2,0,0,0,0|1,0,1]=4 5520 B13R1.18 CCCOC(C)c1cccc(c1)N 34a_100011217120_100000210303 [0,2,0,0,0,0|1,0,1]=4 5521 B13R1.18 CCCOC(C)c1cccc(c1)N 7a_100011217120_100000210303 [0,2,0,0,0,0|1,0,1]=4 5522 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210303 [0,2,0,0,0,0|1,0,1]=4 5523 B13R1.18 CCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210303 [0,2,0,0,0,0|1,0,1]=4 5524 B13R1.18 CCNCC(=O)c1cccc(c1)Br 2230a_100015525214_100000212080 [0,2,0,0,0,0|1,0,0]=3 5525 B13R1.18 CCNCC(=O)c1cccc(c1)C 2230a_100015525214_100000739480 [0,2,0,0,0,0|1,0,0]=3 5526 B13R1.18 CCNCC(=O)c1cccc(c1)Cl 2230a_100015525214_100000211444 [0,2,0,0,0,0|1,0,0]=3 5527 B13R1.18 CCNCC(=O)c1cccc(c1)F 2230a_100015525214_100000215616 [0,2,0,0,0,0|1,0,0]=3 5528 B13R1.18 CCNN=C(C)c1cccc(c1)Br 4a_100000756455_100000210093 [0,2,0,0,0,0|2,0,0]=4 5529 B13R1.18 CCNN=C(C)c1cccc(c1)C 4a_100000756455_100000211476 [0,2,0,0,0,0|2,0,0]=4 5530 B13R1.18 CCNN=C(C)c1cccc(c1)Cl 4a_100000756455_200000210964 [0,2,0,0,0,0|2,0,0]=4 5531 B13R1.18 CCNN=C(C)c1cccc(c1)F 4a_100000756455_100000187083 [0,2,0,0,0,0|2,0,0]=4 5532 B13R1.18 CCNN=C(C)c1cccc(c1)I 4a_100000756455_100011356966 [0,2,0,0,0,0|2,0,0]=4 5533 B13R1.18 CCNN=C(C)c1cccc(c1)O 4a_100000756455_100000211620 [0,2,0,0,0,0|2,0,0]=4 5534 B13R1.18 CCNNC(=O)c1cccc(c1)Br 22a_100000756455_100000210664 [0,2,0,0,0,0|1,0,0]=3 5535 B13R1.18 CCNNC(=O)c1cccc(c1)C 22a_100000756455_100000189346 [0,2,0,0,0,0|1,0,0]=3 5536 B13R1.18 CCNNC(=O)c1cccc(c1)Cl 22a_100000756455_100000210390 [0,2,0,0,0,0|1,0,0]=3 5537 B13R1.18 CCNNC(=O)c1cccc(c1)F 22a_100000756455_100000210950 [0,2,0,0,0,0|1,0,0]=3 5538 B13R1.18 CCNNC(=O)c1cccc(c1)I 22a_100000756455_100000184098 [0,2,0,0,0,0|1,0,0]=3 5539 B13R1.18 CCNNC(=O)c1cccc(c1)O 22a_100000756455_100000183914 [0,2,0,0,0,0|1,0,0]=3 5540 B13R1.18 CCOCC(=O)c1cccc(c1)Br 34a_100121572206_100000212080 [0,2,0,0,0,0|0,0,0]=2 5541 B13R1.18 CCOCC(=O)c1cccc(c1)C 34a_100121572206_100000739480 [0,2,0,0,0,0|0,0,0]=2 5542 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 34a_100121572206_100000211444 [0,2,0,0,0,0|0,0,0]=2 5543 B13R1.18 CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210202 [0,2,0,0,0,0|0,0,0]=2 5544 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210202 [0,2,0,0,0,0|0,0,0]=2 5545 B13R1.18 CCOCC(=O)c1cccc(c1)F 34a_100121572206_100000215616 [0,2,0,0,0,0|0,0,0]=2 5546 B13R1.18 CCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210202 [0,2,0,0,0,0|0,0,0]=2 5547 B13R1.18 CCOCC(=O)c1cccc(c1)O 34a_100121572206_100009813753 [0,2,0,0,0,0|0,0,0]=2 5548 B13R1.18 CCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210202 [0,2,0,0,0,0|1,0,1]=4 5549 B13R1.18 CCOCN(C)c1cccc(c1)Br 269982a_100000219648_100000739092 [0,2,0,0,0,0|2,0,0]=4 5550 B13R1.18 CCOCN(C)c1cccc(c1)C 269982a_100000219674_100000739092 [0,2,0,0,0,0|2,0,0]=4 5551 B13R1.18 CCOCN(C)c1cccc(c1)Cl 269982a_100000220044_100000739092 [0,2,0,0,0,0|2,0,0]=4 5552 B13R1.18 CCOCN(C)c1cccc(c1)F 269982a_100020633736_100000739092 [0,2,0,0,0,0|2,0,0]=4 5553 B13R1.18 CCOCN(C)c1cccc(c1)I 269982a_100000221217_100000739092 [0,2,0,0,0,0|2,0,0]=4 5554 B13R1.18 CCOCN(C)c1cccc(c1)O 269982a_100000756613_100000739092 [0,2,0,0,0,0|2,0,0]=4 5555 B13R1.18 CCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210202 [0,2,0,0,0,0|1,0,1]=4 5556 B13R1.18 CCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210202 [0,2,0,0,0,0|1,0,1]=4 5557 B13R1.18 CCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210202 [0,2,0,0,0,0|1,0,1]=4 5558 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000210202_100000212080 [0,2,0,0,0,0|0,1,0]=3 5559 B13R1.18 CCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210202 [0,2,0,0,0,0|0,1,0]=3 5560 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000210202_100000739480 [0,2,0,0,0,0|0,1,0]=3 5561 B13R1.18 CCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210202 [0,2,0,0,0,0|0,1,0]=3 5562 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000210202_100000211444 [0,2,0,0,0,0|0,1,0]=3 5563 B13R1.18 CCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210202 [0,2,0,0,0,0|0,1,0]=3 5564 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000210202_100000215616 [0,2,0,0,0,0|0,1,0]=3 5565 B13R1.18 CCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210202 [0,2,0,0,0,0|0,1,0]=3 5566 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100000210202_100009813753 [0,2,0,0,0,0|0,1,0]=3 5567 B13R1.18 CCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210202 [0,2,0,0,0,0|0,1,0]=3 5568 B13R1.18 CCSCC(=O)c1ccnc(c1)Cl 62a_100000210202_100009817076 [0,2,0,0,0,0|1,1,0]=4 5569 B13R1.18 CCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210202 [0,2,0,0,0,0|1,1,0]=4 5570 B13R1.18 COCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000233755 [0,2,0,0,0,0|1,0,0]=3 5571 B13R1.18 COCCC(=O)c1cccc(c1)C 1458a_100000189346_100000233755 [0,2,0,0,0,0|1,0,0]=3 5572 B13R1.18 COCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000233755 [0,2,0,0,0,0|1,0,0]=3 5573 B13R1.18 COCCC(=O)c1cccc(c1)F 1458a_100000210950_100000233755 [0,2,0,0,0,0|1,0,0]=3 5574 B13R1.18 COCCC(=O)c1cccc(c1)I 1458a_100000184098_100000233755 [0,2,0,0,0,0|1,0,0]=3 5575 B13R1.18 COCCC(=O)c1cccc(c1)O 1458a_100000183914_100000233755 [0,2,0,0,0,0|1,0,0]=3 5576 B13R1.18 CSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000751147 [0,2,0,0,0,0|1,0,0]=3 5577 B13R1.18 CSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000751147 [0,2,0,0,0,0|1,0,0]=3 5578 B13R1.18 CSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000751147 [0,2,0,0,0,0|1,0,0]=3 5579 B13R1.18 CSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000751147 [0,2,0,0,0,0|1,0,0]=3 5580 B13R1.18 CSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000751147 [0,2,0,0,0,0|1,0,0]=3 5581 B13R1.18 CSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000751147 [0,2,0,0,0,0|1,0,0]=3 5582 B13R1.18 CSCOC(C)c1cccc(c1)Br 34a_100000246457_100011218213 [0,2,0,0,0,0|1,0,1]=4 5583 B13R1.18 CSCOC(C)c1cccc(c1)C 34a_100000757818_100011218213 [0,2,0,0,0,0|1,0,1]=4 5584 B13R1.18 CSCOC(C)c1cccc(c1)F 34a_100000744526_100011218213 [0,2,0,0,0,0|1,0,1]=4 5585 B13R1.18 CSCOC(C)c1cccc(c1)I 34a_100013085317_100011218213 [0,2,0,0,0,0|1,0,1]=4 5586 B13R1.18 CSCOC(C)c1cccc(c1)N 34a_100011217120_100011218213 [0,2,0,0,0,0|1,0,1]=4 5587 B13R1.18 CSCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011218213 [0,2,0,0,0,0|1,0,1]=4 5588 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 34a_100000747380_100011217306 [0,2,0,0,0,0|1,0,1]=4 5589 B13R1.18 C[C@@H](OCCF)c1cccc(c1)Cl 7a_100000747380_100011217306 [0,2,0,0,0,0|1,0,1]=4 5590 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 34a_100000747380_100000211926 [0,2,0,0,0,0|1,0,1]=4 5591 B13R1.18 C[C@@H](OCCO)c1cccc(c1)Cl 7a_100000747380_100000211926 [0,2,0,0,0,0|1,0,1]=4 5592 B13R1.18 Cc1cccc(c1)C(=O)CCC#N 1458a_100000189346_100011215226 [0,2,0,0,0,0|1,0,1]=4 5593 B13R1.18 Cc1cccc(c1)C(=O)CCCF 1458a_100000189346_100011934791 [0,2,0,0,0,0|1,0,0]=3 5594 B13R1.18 Cc1cccc(c1)C(=O)CCCO 1458a_100000189346_100011215043 [0,2,0,0,0,0|1,0,0]=3 5595 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100000739480_100015361967 [0,2,0,0,0,0|1,1,0]=4 5596 B13R1.18 Cc1cccc(c1)C(=O)CSCF 62a_100015361967_100000739480 [0,2,0,0,0,0|1,1,0]=4 5597 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 1626a_100000734998_100000189346 [0,2,0,0,0,0|1,0,1]=4 5598 B13R1.18 Cc1cccc(c1)C(=O)NCC#N 527a_100000734998_100000189346 [0,2,0,0,0,0|1,0,1]=4 5599 B13R1.18 Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100000189346 [0,2,0,0,0,0|1,0,0]=3 5600 B13R1.18 Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100000189346 [0,2,0,0,0,0|1,0,0]=3 5601 B13R1.18 Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100000189346 [0,2,0,0,0,0|1,0,0]=3 5602 B13R1.18 Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100000189346 [0,2,0,0,0,0|1,0,0]=3 5603 B13R1.18 Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000189346 [0,2,0,0,0,0|1,0,0]=3 5604 B13R1.18 Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100000189346 [0,2,0,0,0,0|1,0,0]=3 5605 B13R1.18 Cc1cccc(c1)C(C)OCCF 34a_100000757818_100011217306 [0,2,0,0,0,0|1,0,1]=4 5606 B13R1.18 Cc1cccc(c1)C(C)OCCF 7a_100000757818_100011217306 [0,2,0,0,0,0|1,0,1]=4 5607 B13R1.18 Cc1cccc(c1)C(C)OCCO 34a_100000757818_100000211926 [0,2,0,0,0,0|1,0,1]=4 5608 B13R1.18 Cc1cccc(c1)C(C)OCCO 7a_100000757818_100000211926 [0,2,0,0,0,0|1,0,1]=4 5609 B13R1.18 N#CCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215226 [0,2,0,0,0,0|1,0,1]=4 5610 B13R1.18 N#CCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215226 [0,2,0,0,0,0|1,0,1]=4 5611 B13R1.18 N#CCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215226 [0,2,0,0,0,0|1,0,1]=4 5612 B13R1.18 N#CCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215226 [0,2,0,0,0,0|1,0,1]=4 5613 B13R1.18 N#CCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215226 [0,2,0,0,0,0|1,0,1]=4 5614 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 1626a_100000734998_100000210664 [0,2,0,0,0,0|1,0,1]=4 5615 B13R1.18 N#CCNC(=O)c1cccc(c1)Br 527a_100000734998_100000210664 [0,2,0,0,0,0|1,0,1]=4 5616 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 1626a_100000734998_100000210390 [0,2,0,0,0,0|1,0,1]=4 5617 B13R1.18 N#CCNC(=O)c1cccc(c1)Cl 527a_100000734998_100000210390 [0,2,0,0,0,0|1,0,1]=4 5618 B13R1.18 N#CCNC(=O)c1cccc(c1)F 1626a_100000734998_100000210950 [0,2,0,0,0,0|1,0,1]=4 5619 B13R1.18 N#CCNC(=O)c1cccc(c1)F 527a_100000734998_100000210950 [0,2,0,0,0,0|1,0,1]=4 5620 B13R1.18 N#CCNC(=O)c1cccc(c1)I 1626a_100000734998_100000184098 [0,2,0,0,0,0|1,0,1]=4 5621 B13R1.18 N#CCNC(=O)c1cccc(c1)I 527a_100000734998_100000184098 [0,2,0,0,0,0|1,0,1]=4 5622 B13R1.18 N#CCNC(=O)c1cccc(c1)O 527a_100000734998_100000183914 [0,2,0,0,0,0|1,0,1]=4 5623 B13R1.18 O=C(CCCF)c1cccc(c1)Br 1458a_100000210664_100011934791 [0,2,0,0,0,0|1,0,0]=3 5624 B13R1.18 O=C(CCCF)c1cccc(c1)Cl 1458a_100000210390_100011934791 [0,2,0,0,0,0|1,0,0]=3 5625 B13R1.18 O=C(CCCF)c1cccc(c1)F 1458a_100000210950_100011934791 [0,2,0,0,0,0|1,0,0]=3 5626 B13R1.18 O=C(CCCF)c1cccc(c1)I 1458a_100000184098_100011934791 [0,2,0,0,0,0|1,0,0]=3 5627 B13R1.18 O=C(CCCF)c1cccc(c1)O 1458a_100000183914_100011934791 [0,2,0,0,0,0|1,0,0]=3 5628 B13R1.18 O=C(CCCO)c1cccc(c1)Br 1458a_100000210664_100011215043 [0,2,0,0,0,0|1,0,0]=3 5629 B13R1.18 O=C(CCCO)c1cccc(c1)Cl 1458a_100000210390_100011215043 [0,2,0,0,0,0|1,0,0]=3 5630 B13R1.18 O=C(CCCO)c1cccc(c1)F 1458a_100000210950_100011215043 [0,2,0,0,0,0|1,0,0]=3 5631 B13R1.18 O=C(CCCO)c1cccc(c1)I 1458a_100000184098_100011215043 [0,2,0,0,0,0|1,0,0]=3 5632 B13R1.18 O=C(CCCO)c1cccc(c1)O 1458a_100000183914_100011215043 [0,2,0,0,0,0|1,0,0]=3 5633 B13R1.18 O=C(COCF)c1cccc(c1)Cl 7a_200011592804_100015361967 [0,2,0,0,0,0|1,0,0]=3 5634 B13R1.18 O=C(COCF)c1cccc(c1)F 34a_100011592800_100015361967 [0,2,0,0,0,0|1,0,0]=3 5635 B13R1.18 O=C(COCF)c1cccc(c1)F 7a_100011592800_100015361967 [0,2,0,0,0,0|1,0,0]=3 5636 B13R1.18 O=C(CSCF)c1cccc(c1)Br 62a_100000212080_100015361967 [0,2,0,0,0,0|1,1,0]=4 5637 B13R1.18 O=C(CSCF)c1cccc(c1)Br 62a_100015361967_100000212080 [0,2,0,0,0,0|1,1,0]=4 5638 B13R1.18 O=C(CSCF)c1cccc(c1)Cl 62a_100000211444_100015361967 [0,2,0,0,0,0|1,1,0]=4 5639 B13R1.18 O=C(CSCF)c1cccc(c1)Cl 62a_100015361967_100000211444 [0,2,0,0,0,0|1,1,0]=4 5640 B13R1.18 O=C(CSCF)c1cccc(c1)F 62a_100000215616_100015361967 [0,2,0,0,0,0|1,1,0]=4 5641 B13R1.18 O=C(CSCF)c1cccc(c1)F 62a_100015361967_100000215616 [0,2,0,0,0,0|1,1,0]=4 5642 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100009813753_100015361967 [0,2,0,0,0,0|1,1,0]=4 5643 B13R1.18 O=C(CSCF)c1cccc(c1)O 62a_100015361967_100009813753 [0,2,0,0,0,0|1,1,0]=4 5644 B13R1.18 O=C(NCCF)c1cccc(c1)Br 11a_100000724931_100000210664 [0,2,0,0,0,0|1,0,0]=3 5645 B13R1.18 O=C(NCCF)c1cccc(c1)Br 1626a_100000724931_100000210664 [0,2,0,0,0,0|1,0,0]=3 5646 B13R1.18 O=C(NCCF)c1cccc(c1)Br 240690a_100000724931_100000210664 [0,2,0,0,0,0|1,0,0]=3 5647 B13R1.18 O=C(NCCF)c1cccc(c1)Br 527a_100000724931_100000210664 [0,2,0,0,0,0|1,0,0]=3 5648 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 11a_100000724931_100000210390 [0,2,0,0,0,0|1,0,0]=3 5649 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 1626a_100000724931_100000210390 [0,2,0,0,0,0|1,0,0]=3 5650 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 240690a_100000724931_100000210390 [0,2,0,0,0,0|1,0,0]=3 5651 B13R1.18 O=C(NCCF)c1cccc(c1)Cl 527a_100000724931_100000210390 [0,2,0,0,0,0|1,0,0]=3 5652 B13R1.18 O=C(NCCF)c1cccc(c1)F 11a_100000724931_100000210950 [0,2,0,0,0,0|1,0,0]=3 5653 B13R1.18 O=C(NCCF)c1cccc(c1)F 1626a_100000724931_100000210950 [0,2,0,0,0,0|1,0,0]=3 5654 B13R1.18 O=C(NCCF)c1cccc(c1)F 240690a_100000724931_100000210950 [0,2,0,0,0,0|1,0,0]=3 5655 B13R1.18 O=C(NCCF)c1cccc(c1)F 527a_100000724931_100000210950 [0,2,0,0,0,0|1,0,0]=3 5656 B13R1.18 O=C(NCCF)c1cccc(c1)I 11a_100000724931_100000184098 [0,2,0,0,0,0|1,0,0]=3 5657 B13R1.18 O=C(NCCF)c1cccc(c1)I 1626a_100000724931_100000184098 [0,2,0,0,0,0|1,0,0]=3 5658 B13R1.18 O=C(NCCF)c1cccc(c1)I 240690a_100000724931_100000184098 [0,2,0,0,0,0|1,0,0]=3 5659 B13R1.18 O=C(NCCF)c1cccc(c1)I 527a_100000724931_100000184098 [0,2,0,0,0,0|1,0,0]=3 5660 B13R1.18 O=C(NCCF)c1cccc(c1)O 240690a_100000724931_100000183914 [0,2,0,0,0,0|1,0,0]=3 5661 B13R1.18 O=C(NCCF)c1cccc(c1)O 527a_100000724931_100000183914 [0,2,0,0,0,0|1,0,0]=3 5662 B13R1.18 O=C(NCCO)c1cccc(c1)Br 240690a_100000210304_100000210664 [0,2,0,0,0,0|1,0,0]=3 5663 B13R1.18 O=C(NCCO)c1cccc(c1)Br 527a_100000210304_100000210664 [0,2,0,0,0,0|1,0,0]=3 5664 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 240690a_100000210304_100000210390 [0,2,0,0,0,0|1,0,0]=3 5665 B13R1.18 O=C(NCCO)c1cccc(c1)Cl 527a_100000210304_100000210390 [0,2,0,0,0,0|1,0,0]=3 5666 B13R1.18 O=C(NCCO)c1cccc(c1)F 240690a_100000210304_100000210950 [0,2,0,0,0,0|1,0,0]=3 5667 B13R1.18 O=C(NCCO)c1cccc(c1)F 527a_100000210304_100000210950 [0,2,0,0,0,0|1,0,0]=3 5668 B13R1.18 O=C(NCCO)c1cccc(c1)I 240690a_100000210304_100000184098 [0,2,0,0,0,0|1,0,0]=3 5669 B13R1.18 O=C(NCCO)c1cccc(c1)I 527a_100000210304_100000184098 [0,2,0,0,0,0|1,0,0]=3 5670 B13R1.18 O=C(NCCO)c1cccc(c1)O 240690a_100000210304_100000183914 [0,2,0,0,0,0|1,0,0]=3 5671 B13R1.18 O=C(NCCO)c1cccc(c1)O 271570a_203496583355_200000158903 [0,2,0,0,0,0|1,0,0]=3 5672 B13R1.18 O=C(NCCO)c1cccc(c1)O 527a_100000210304_100000183914 [0,2,0,0,0,0|1,0,0]=3 5673 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Br 62a_100012349134_200025704644 [0,2,0,0,0,0|2,0,0]=4 5674 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Br 62a_200025704644_100012349134 [0,2,0,0,0,0|2,0,0]=4 5675 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Cl 62a_100000184413_200025704644 [0,2,0,0,0,0|2,0,0]=4 5676 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Cl 62a_200025704644_100000184413 [0,2,0,0,0,0|2,0,0]=4 5677 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)F 62a_100012356231_200025704644 [0,2,0,0,0,0|2,0,0]=4 5678 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)F 62a_200025704644_100012356231 [0,2,0,0,0,0|2,0,0]=4 5679 B13R1.22 CCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000758301 [0,2,0,0,0,0|1,0,0]=3 5680 B13R1.22 CCC(C)C(=O)c1cccc(c1)C 1458a_100000189346_100000758301 [0,2,0,0,0,0|1,0,0]=3 5681 B13R1.22 CCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000758301 [0,2,0,0,0,0|1,0,0]=3 5682 B13R1.22 CCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000758301 [0,2,0,0,0,0|1,0,0]=3 5683 B13R1.22 CCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000758301 [0,2,0,0,0,0|1,0,0]=3 5684 B13R1.22 CCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000758301 [0,2,0,0,0,0|1,0,0]=3 5685 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 11a_100000225621_100000210664 [0,2,0,0,0,0|1,0,0]=3 5686 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 1626a_100000225621_100000210664 [0,2,0,0,0,0|1,0,0]=3 5687 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 240690a_100000225621_100000210664 [0,2,0,0,0,0|1,0,0]=3 5688 B13R1.22 CCN(C)C(=O)c1cccc(c1)Br 527a_100000225621_100000210664 [0,2,0,0,0,0|1,0,0]=3 5689 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 11a_100000225621_100000189346 [0,2,0,0,0,0|1,0,0]=3 5690 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 1626a_100000225621_100000189346 [0,2,0,0,0,0|1,0,0]=3 5691 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 240690a_100000225621_100000189346 [0,2,0,0,0,0|1,0,0]=3 5692 B13R1.22 CCN(C)C(=O)c1cccc(c1)C 527a_100000225621_100000189346 [0,2,0,0,0,0|1,0,0]=3 5693 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 11a_100000225621_100000210390 [0,2,0,0,0,0|1,0,0]=3 5694 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 1626a_100000225621_100000210390 [0,2,0,0,0,0|1,0,0]=3 5695 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 240690a_100000225621_100000210390 [0,2,0,0,0,0|1,0,0]=3 5696 B13R1.22 CCN(C)C(=O)c1cccc(c1)Cl 527a_100000225621_100000210390 [0,2,0,0,0,0|1,0,0]=3 5697 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 11a_100000225621_100000210950 [0,2,0,0,0,0|1,0,0]=3 5698 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 1626a_100000225621_100000210950 [0,2,0,0,0,0|1,0,0]=3 5699 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 240690a_100000225621_100000210950 [0,2,0,0,0,0|1,0,0]=3 5700 B13R1.22 CCN(C)C(=O)c1cccc(c1)F 527a_100000225621_100000210950 [0,2,0,0,0,0|1,0,0]=3 5701 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 11a_100000225621_100000184098 [0,2,0,0,0,0|1,0,0]=3 5702 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 1626a_100000225621_100000184098 [0,2,0,0,0,0|1,0,0]=3 5703 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 240690a_100000225621_100000184098 [0,2,0,0,0,0|1,0,0]=3 5704 B13R1.22 CCN(C)C(=O)c1cccc(c1)I 527a_100000225621_100000184098 [0,2,0,0,0,0|1,0,0]=3 5705 B13R1.22 CCN(C)C(=O)c1cccc(c1)O 240690a_100000225621_100000183914 [0,2,0,0,0,0|1,0,0]=3 5706 B13R1.22 CCN(C)C(=O)c1cccc(c1)O 527a_100000225621_100000183914 [0,2,0,0,0,0|1,0,0]=3 5707 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 2230a_106832991635_100012349134 [0,2,0,0,0,0|2,0,0]=4 5708 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 34a_100102657272_100012349134 [0,2,0,0,0,0|2,0,0]=4 5709 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 7a_106832991635_100012349134 [0,2,0,0,0,0|2,0,0]=4 5710 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 2230a_106832991635_100000184413 [0,2,0,0,0,0|2,0,0]=4 5711 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 34a_100102657272_100000184413 [0,2,0,0,0,0|2,0,0]=4 5712 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 7a_106832991635_100000184413 [0,2,0,0,0,0|2,0,0]=4 5713 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 2230a_106832991635_100012356231 [0,2,0,0,0,0|2,0,0]=4 5714 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 34a_100102657272_100012356231 [0,2,0,0,0,0|2,0,0]=4 5715 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 7a_106832991635_100012356231 [0,2,0,0,0,0|2,0,0]=4 5716 B13R1.22 COC(=O)C(=O)c1cccc(c1)O 271570a_203496583355_100000699548 [0,2,0,0,0,0|2,0,0]=4 5717 B13R1.22 COC(C)C(=O)c1cccc(c1)Br 34a_100138415774_100012349134 [0,2,0,0,0,0|2,0,0]=4 5718 B13R1.22 COC(C)C(=O)c1cccc(c1)Cl 34a_100138415774_100000184413 [0,2,0,0,0,0|2,0,0]=4 5719 B13R1.22 COC(C)C(=O)c1cccc(c1)F 34a_100138415774_100012356231 [0,2,0,0,0,0|2,0,0]=4 5720 B13R1.22 CON(C)C(=O)c1cccc(c1)O 271570a_203496583355_100000153848 [0,2,0,0,0,0|2,0,0]=4 5721 B13R1.22 CSC(C)C(=O)c1cccc(c1)Br 62a_100012349134_200000210301 [0,2,0,0,0,0|2,0,0]=4 5722 B13R1.22 CSC(C)C(=O)c1cccc(c1)Br 62a_200000210301_100012349134 [0,2,0,0,0,0|2,0,0]=4 5723 B13R1.22 CSC(C)C(=O)c1cccc(c1)Cl 62a_100000184413_200000210301 [0,2,0,0,0,0|2,0,0]=4 5724 B13R1.22 CSC(C)C(=O)c1cccc(c1)Cl 62a_200000210301_100000184413 [0,2,0,0,0,0|2,0,0]=4 5725 B13R1.22 CSC(C)C(=O)c1cccc(c1)F 62a_100012356231_200000210301 [0,2,0,0,0,0|2,0,0]=4 5726 B13R1.22 CSC(C)C(=O)c1cccc(c1)F 62a_200000210301_100012356231 [0,2,0,0,0,0|2,0,0]=4 5727 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 270084a_100015525214_100000184224 [0,2,0,0,0,0|2,0,0]=4 5728 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 274078a_100015525214_100000184224 [0,2,0,0,0,0|2,0,0]=4 5729 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br 40a_100015525214_100010340488 [0,2,0,0,0,0|2,0,0]=4 5730 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 270084a_100015525214_100000182797 [0,2,0,0,0,0|2,0,0]=4 5731 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 274078a_100015525214_100000182797 [0,2,0,0,0,0|2,0,0]=4 5732 B13R1.30 CCNS(=O)(=O)c1cccc(c1)C 40a_100015525214_100010983817 [0,2,0,0,0,0|2,0,0]=4 5733 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl 270084a_100015525214_100000182923 [0,2,0,0,0,0|2,0,0]=4 5734 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Cl 274078a_100015525214_100000182923 [0,2,0,0,0,0|2,0,0]=4 5735 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F 270084a_100015525214_100000184201 [0,2,0,0,0,0|2,0,0]=4 5736 B13R1.30 CCNS(=O)(=O)c1cccc(c1)F 274078a_100015525214_100000184201 [0,2,0,0,0,0|2,0,0]=4 5737 B13R1.30 CCNS(=O)(=O)c1cccc(c1)N 40a_100015525214_100000034547 [0,2,0,0,0,0|2,0,0]=4 5738 B13R1.30 CCOC(C)(C)c1cccc(c1)Br 34a_100011346009_100000210202 [0,2,0,0,0,0|1,0,1]=4 5739 B13R1.30 CCOC(C)(C)c1cccc(c1)Br 7a_100011346009_100000210202 [0,2,0,0,0,0|1,0,1]=4 5740 B13R1.30 CCOC(C)(C)c1cccc(c1)Cl 34a_100011345980_100000210202 [0,2,0,0,0,0|1,0,1]=4 5741 B13R1.30 CCOC(C)(C)c1cccc(c1)Cl 7a_100011345980_100000210202 [0,2,0,0,0,0|1,0,1]=4 5742 B13R1.30 CCOC(C)(C)c1cccc(c1)F 34a_200011345953_100000210202 [0,2,0,0,0,0|1,0,1]=4 5743 B13R1.30 CCOC(C)(C)c1cccc(c1)F 7a_200011345953_100000210202 [0,2,0,0,0,0|1,0,1]=4 5744 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000748629 [0,2,0,0,0,0|1,0,1]=4 5745 B13R1.147 C=C(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748629 [0,2,0,0,0,0|1,0,1]=4 5746 B13R1.147 C=C(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748629 [0,2,0,0,0,0|1,0,1]=4 5747 B13R1.147 C=C(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000748629 [0,2,0,0,0,0|1,0,1]=4 5748 B13R1.147 C=C(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000748629 [0,2,0,0,0,0|1,0,1]=4 5749 B13R1.147 C=C(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000748629 [0,2,0,0,0,0|1,0,1]=4 5750 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,2,0,0,0,0|1,0,1]=4 5751 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,2,0,0,0,0|1,0,1]=4 5752 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,2,0,0,0,0|1,0,1]=4 5753 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,2,0,0,0,0|1,0,1]=4 5754 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,2,0,0,0,0|1,0,1]=4 5755 B13R1.147 CC(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000210624 [0,2,0,0,0,0|1,0,0]=3 5756 B13R1.147 CC(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210624 [0,2,0,0,0,0|1,0,0]=3 5757 B13R1.147 CC(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000210624 [0,2,0,0,0,0|1,0,0]=3 5758 B13R1.147 CC(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000210624 [0,2,0,0,0,0|1,0,0]=3 5759 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000210624 [0,2,0,0,0,0|1,0,0]=3 5760 B13R1.147 CC(C)CC(=O)c1cccc(c1)O 271570a_203496583355_100000723889 [0,2,0,0,0,0|1,0,0]=3 5761 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 11a_100138425928_100000210664 [0,2,0,0,0,0|1,0,0]=3 5762 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 1626a_100138425928_100000210664 [0,2,0,0,0,0|1,0,0]=3 5763 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 240690a_100138425928_100000210664 [0,2,0,0,0,0|1,0,0]=3 5764 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br 527a_100138425928_100000210664 [0,2,0,0,0,0|1,0,0]=3 5765 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 11a_100138425928_100000210390 [0,2,0,0,0,0|1,0,0]=3 5766 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 1626a_100138425928_100000210390 [0,2,0,0,0,0|1,0,0]=3 5767 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 240690a_100138425928_100000210390 [0,2,0,0,0,0|1,0,0]=3 5768 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl 527a_100138425928_100000210390 [0,2,0,0,0,0|1,0,0]=3 5769 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 11a_100138425928_100000210950 [0,2,0,0,0,0|1,0,0]=3 5770 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 1626a_100138425928_100000210950 [0,2,0,0,0,0|1,0,0]=3 5771 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 240690a_100138425928_100000210950 [0,2,0,0,0,0|1,0,0]=3 5772 B13R1.147 CC(C)NC(=O)c1cccc(c1)F 527a_100138425928_100000210950 [0,2,0,0,0,0|1,0,0]=3 5773 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 11a_100138425928_100000184098 [0,2,0,0,0,0|1,0,0]=3 5774 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 1626a_100138425928_100000184098 [0,2,0,0,0,0|1,0,0]=3 5775 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 240690a_100138425928_100000184098 [0,2,0,0,0,0|1,0,0]=3 5776 B13R1.147 CC(C)NC(=O)c1cccc(c1)I 527a_100138425928_100000184098 [0,2,0,0,0,0|1,0,0]=3 5777 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 240690a_100138425928_100000183914 [0,2,0,0,0,0|1,0,0]=3 5778 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 271570a_203496583355_200000152632 [0,2,0,0,0,0|1,0,0]=3 5779 B13R1.147 CC(C)NC(=O)c1cccc(c1)O 527a_100138425928_100000183914 [0,2,0,0,0,0|1,0,0]=3 5780 B13R1.147 CC(C)NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229805 [0,2,0,0,0,0|2,0,0]=4 5781 B13R1.147 CC(C)NC(=O)c1cncc(c1)O 271570a_203496583355_200000152636 [0,2,0,0,0,0|2,0,0]=4 5782 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 34a_100000246457_100000210206 [0,2,0,0,0,0|1,0,1]=4 5783 B13R1.147 CC(C)OC(C)c1cccc(c1)Br 7a_100000246457_100000210206 [0,2,0,0,0,0|1,0,1]=4 5784 B13R1.147 CC(C)OC(C)c1cccc(c1)F 34a_100000744526_100000210206 [0,2,0,0,0,0|1,0,1]=4 5785 B13R1.147 CC(C)OC(C)c1cccc(c1)F 7a_100000744526_100000210206 [0,2,0,0,0,0|1,0,1]=4 5786 B13R1.147 CC(C)OC(C)c1cccc(c1)I 34a_100013085317_100000210206 [0,2,0,0,0,0|1,0,1]=4 5787 B13R1.147 CC(C)OC(C)c1cccc(c1)I 7a_100013085317_100000210206 [0,2,0,0,0,0|1,0,1]=4 5788 B13R1.147 CC(C)OC(C)c1cccc(c1)N 34a_100011217120_100000210206 [0,2,0,0,0,0|1,0,1]=4 5789 B13R1.147 CC(C)OC(C)c1cccc(c1)N 7a_100011217120_100000210206 [0,2,0,0,0,0|1,0,1]=4 5790 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210206 [0,2,0,0,0,0|1,0,1]=4 5791 B13R1.147 CC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210206 [0,2,0,0,0,0|1,0,1]=4 5792 B13R1.147 CC(O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011218427 [0,2,0,0,0,0|1,0,0]=3 5793 B13R1.147 CC(O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011218427 [0,2,0,0,0,0|1,0,0]=3 5794 B13R1.147 CC(O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011218427 [0,2,0,0,0,0|1,0,0]=3 5795 B13R1.147 CC(O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011218427 [0,2,0,0,0,0|1,0,0]=3 5796 B13R1.147 CC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218427 [0,2,0,0,0,0|1,0,0]=3 5797 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 2230a_100102631434_100000212080 [0,2,0,0,0,0|2,0,0]=4 5798 B13R1.147 CN(C)CC(=O)c1cccc(c1)Br 269982a_100102631434_100000212080 [0,2,0,0,0,0|2,0,0]=4 5799 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 2230a_100102631434_100000211444 [0,2,0,0,0,0|2,0,0]=4 5800 B13R1.147 CN(C)CC(=O)c1cccc(c1)Cl 269982a_100102631434_100000211444 [0,2,0,0,0,0|2,0,0]=4 5801 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 2230a_100102631434_100000215616 [0,2,0,0,0,0|2,0,0]=4 5802 B13R1.147 CN(C)CC(=O)c1cccc(c1)F 269982a_100102631434_100000215616 [0,2,0,0,0,0|2,0,0]=4 5803 B13R1.147 CN(C)CC(=O)c1cccc(c1)O 269982a_100102631434_100009813753 [0,2,0,0,0,0|2,0,0]=4 5804 B13R1.147 Cc1cccc(c1)C(=O)CC(C)C 1458a_100000189346_100000210624 [0,2,0,0,0,0|1,0,0]=3 5805 B13R1.147 Cc1cccc(c1)C(=O)CC(C)O 1458a_100000189346_100011218427 [0,2,0,0,0,0|1,0,0]=3 5806 B13R1.147 Cc1cccc(c1)C(=O)CC(F)F 1458a_100000189346_100011934356 [0,2,0,0,0,0|2,0,0]=4 5807 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 2230a_100102631434_100000739480 [0,2,0,0,0,0|2,0,0]=4 5808 B13R1.147 Cc1cccc(c1)C(=O)CN(C)C 269982a_100102631434_100000739480 [0,2,0,0,0,0|2,0,0]=4 5809 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 11a_100138425928_100000189346 [0,2,0,0,0,0|1,0,0]=3 5810 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 1626a_100138425928_100000189346 [0,2,0,0,0,0|1,0,0]=3 5811 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 240690a_100138425928_100000189346 [0,2,0,0,0,0|1,0,0]=3 5812 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C 527a_100138425928_100000189346 [0,2,0,0,0,0|1,0,0]=3 5813 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 34a_100000757818_100000210206 [0,2,0,0,0,0|1,0,1]=4 5814 B13R1.147 Cc1cccc(c1)C(C)OC(C)C 7a_100000757818_100000210206 [0,2,0,0,0,0|1,0,1]=4 5815 B13R1.147 O=C(CC(F)F)c1cccc(c1)Br 1458a_100000210664_100011934356 [0,2,0,0,0,0|2,0,0]=4 5816 B13R1.147 O=C(CC(F)F)c1cccc(c1)Cl 1458a_100000210390_100011934356 [0,2,0,0,0,0|2,0,0]=4 5817 B13R1.147 O=C(CC(F)F)c1cccc(c1)F 1458a_100000210950_100011934356 [0,2,0,0,0,0|2,0,0]=4 5818 B13R1.147 O=C(CC(F)F)c1cccc(c1)I 1458a_100000184098_100011934356 [0,2,0,0,0,0|2,0,0]=4 5819 B13R1.147 O=C(CC(F)F)c1cccc(c1)O 1458a_100000183914_100011934356 [0,2,0,0,0,0|2,0,0]=4 5820 B13R1.446 CCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210303 [0,2,0,0,0,0|1,0,0]=3 5821 B13R1.446 CCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210303 [0,2,0,0,0,0|1,0,0]=3 5822 B13R1.446 CCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210303 [0,2,0,0,0,0|1,0,0]=3 5823 B13R1.446 CCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210303 [0,2,0,0,0,0|1,0,0]=3 5824 B13R1.446 CCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210303 [0,2,0,0,0,0|1,0,0]=3 5825 B13R1.446 CCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210303 [0,2,0,0,0,0|1,0,0]=3 5826 B13R1.446 CCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210303 [0,2,0,0,0,0|1,0,0]=3 5827 B13R1.446 CCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210303 [0,2,0,0,0,0|1,0,0]=3 5828 B13R1.446 CCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210303 [0,2,0,0,0,0|1,0,0]=3 5829 B13R1.446 CCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210303 [0,2,0,0,0,0|1,0,0]=3 5830 B13R1.446 CCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210303 [0,2,0,0,0,0|1,0,0]=3 5831 B13R1.446 CCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210303 [0,2,0,0,0,0|1,0,0]=3 5832 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210303 [0,2,0,0,0,0|1,0,0]=3 5833 B13R1.446 CCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210303 [0,2,0,0,0,0|1,0,0]=3 5834 B13R1.446 CCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210303 [0,2,0,0,0,0|1,0,0]=3 5835 B13R1.446 CCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210303 [0,2,0,0,0,0|1,0,0]=3 5836 B13R1.446 CCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210303 [0,2,0,0,0,0|1,0,0]=3 5837 B13R1.446 CCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210303 [0,2,0,0,0,0|1,0,0]=3 5838 B13R1.446 CCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210303 [0,2,0,0,0,0|1,0,0]=3 5839 B13R1.446 CCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210303 [0,2,0,0,0,0|1,0,0]=3 5840 B13R1.446 CCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210303 [0,2,0,0,0,0|1,0,0]=3 5841 B13R1.446 CCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210303 [0,2,0,0,0,0|1,0,0]=3 5842 B13R1.446 CCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210303 [0,2,0,0,0,0|1,0,0]=3 5843 B13R1.446 CCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210303 [0,2,0,0,0,0|1,0,0]=3 5844 B13R1.446 CCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210303 [0,2,0,0,0,0|1,0,0]=3 5845 B13R1.446 CCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210303 [0,2,0,0,0,0|1,0,0]=3 5846 B13R1.446 CCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210303 [0,2,0,0,0,0|1,0,0]=3 5847 B13R1.446 CCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210303 [0,2,0,0,0,0|1,0,0]=3 5848 B13R1.446 CCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210303 [0,2,0,0,0,0|1,0,0]=3 5849 B13R1.446 CCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210303 [0,2,0,0,0,0|1,0,0]=3 5850 B13R1.446 CCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210303 [0,2,0,0,0,0|1,0,0]=3 5851 B13R1.446 CCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210303 [0,2,0,0,0,0|1,0,0]=3 5852 B13R1.446 CCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210303 [0,2,0,0,0,0|1,0,0]=3 5853 B13R1.446 CCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210303 [0,2,0,0,0,0|1,0,0]=3 5854 B13R1.446 CCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210303 [0,2,0,0,0,0|1,0,0]=3 5855 B13R1.446 CCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210303 [0,2,0,0,0,0|1,0,0]=3 5856 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 11a_100015525214_100000690610 [0,2,0,0,0,0|1,0,0]=3 5857 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 240690a_100015525214_100000690610 [0,2,0,0,0,0|1,0,0]=3 5858 B13R1.446 CCNC(=O)c1cc(ccc1Br)Br 527a_100015525214_100000690610 [0,2,0,0,0,0|1,0,0]=3 5859 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 11a_100015525214_100000689033 [0,2,0,0,0,0|1,0,0]=3 5860 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 240690a_100015525214_100000689033 [0,2,0,0,0,0|1,0,0]=3 5861 B13R1.446 CCNC(=O)c1cc(ccc1Br)C 527a_100015525214_100000689033 [0,2,0,0,0,0|1,0,0]=3 5862 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 11a_100015525214_100000736951 [0,2,0,0,0,0|1,0,0]=3 5863 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 240690a_100015525214_100000736951 [0,2,0,0,0,0|1,0,0]=3 5864 B13R1.446 CCNC(=O)c1cc(ccc1Br)Cl 527a_100015525214_100000736951 [0,2,0,0,0,0|1,0,0]=3 5865 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 11a_100015525214_100000212315 [0,2,0,0,0,0|1,0,0]=3 5866 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 240690a_100015525214_100000212315 [0,2,0,0,0,0|1,0,0]=3 5867 B13R1.446 CCNC(=O)c1cc(ccc1Br)F 527a_100015525214_100000212315 [0,2,0,0,0,0|1,0,0]=3 5868 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 11a_100015525214_100000698340 [0,2,0,0,0,0|1,0,0]=3 5869 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 240690a_100015525214_100000698340 [0,2,0,0,0,0|1,0,0]=3 5870 B13R1.446 CCNC(=O)c1cc(ccc1Br)I 527a_100015525214_100000698340 [0,2,0,0,0,0|1,0,0]=3 5871 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 240690a_100015525214_100012352043 [0,2,0,0,0,0|1,0,0]=3 5872 B13R1.446 CCNC(=O)c1cc(ccc1Br)O 527a_100015525214_100012352043 [0,2,0,0,0,0|1,0,0]=3 5873 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 11a_100015525214_100000759961 [0,2,0,0,0,0|1,0,0]=3 5874 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 240690a_100015525214_100000759961 [0,2,0,0,0,0|1,0,0]=3 5875 B13R1.446 CCNC(=O)c1cc(ccc1C)Br 527a_100015525214_100000759961 [0,2,0,0,0,0|1,0,0]=3 5876 B13R1.446 CCNC(=O)c1cc(ccc1C)C 11a_100015525214_100000195421 [0,2,0,0,0,0|1,0,0]=3 5877 B13R1.446 CCNC(=O)c1cc(ccc1C)C 240690a_100015525214_100000195421 [0,2,0,0,0,0|1,0,0]=3 5878 B13R1.446 CCNC(=O)c1cc(ccc1C)C 527a_100015525214_100000195421 [0,2,0,0,0,0|1,0,0]=3 5879 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 11a_100015525214_100000692595 [0,2,0,0,0,0|1,0,0]=3 5880 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 240690a_100015525214_100000692595 [0,2,0,0,0,0|1,0,0]=3 5881 B13R1.446 CCNC(=O)c1cc(ccc1C)Cl 527a_100015525214_100000692595 [0,2,0,0,0,0|1,0,0]=3 5882 B13R1.446 CCNC(=O)c1cc(ccc1C)F 11a_100015525214_100000240043 [0,2,0,0,0,0|1,0,0]=3 5883 B13R1.446 CCNC(=O)c1cc(ccc1C)F 240690a_100015525214_100000240043 [0,2,0,0,0,0|1,0,0]=3 5884 B13R1.446 CCNC(=O)c1cc(ccc1C)F 527a_100015525214_100000240043 [0,2,0,0,0,0|1,0,0]=3 5885 B13R1.446 CCNC(=O)c1cc(ccc1C)I 11a_100015525214_100000688012 [0,2,0,0,0,0|1,0,0]=3 5886 B13R1.446 CCNC(=O)c1cc(ccc1C)I 240690a_100015525214_100000688012 [0,2,0,0,0,0|1,0,0]=3 5887 B13R1.446 CCNC(=O)c1cc(ccc1C)I 527a_100015525214_100000688012 [0,2,0,0,0,0|1,0,0]=3 5888 B13R1.446 CCNC(=O)c1cc(ccc1C)O 240690a_100015525214_100000687834 [0,2,0,0,0,0|1,0,0]=3 5889 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 11a_100015525214_100000211212 [0,2,0,0,0,0|1,0,0]=3 5890 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 240690a_100015525214_100000211212 [0,2,0,0,0,0|1,0,0]=3 5891 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Br 527a_100015525214_100000211212 [0,2,0,0,0,0|1,0,0]=3 5892 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 11a_100015525214_100011290873 [0,2,0,0,0,0|1,0,0]=3 5893 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 240690a_100015525214_100011290873 [0,2,0,0,0,0|1,0,0]=3 5894 B13R1.446 CCNC(=O)c1cc(ccc1Cl)C 527a_100015525214_100011290873 [0,2,0,0,0,0|1,0,0]=3 5895 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 11a_100015525214_100000210642 [0,2,0,0,0,0|1,0,0]=3 5896 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 240690a_100015525214_100000210642 [0,2,0,0,0,0|1,0,0]=3 5897 B13R1.446 CCNC(=O)c1cc(ccc1Cl)Cl 527a_100015525214_100000210642 [0,2,0,0,0,0|1,0,0]=3 5898 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 11a_100015525214_100011219680 [0,2,0,0,0,0|1,0,0]=3 5899 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 240690a_100015525214_100011219680 [0,2,0,0,0,0|1,0,0]=3 5900 B13R1.446 CCNC(=O)c1cc(ccc1Cl)F 527a_100015525214_100011219680 [0,2,0,0,0,0|1,0,0]=3 5901 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 11a_100015525214_100000688013 [0,2,0,0,0,0|1,0,0]=3 5902 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 240690a_100015525214_100000688013 [0,2,0,0,0,0|1,0,0]=3 5903 B13R1.446 CCNC(=O)c1cc(ccc1Cl)I 527a_100015525214_100000688013 [0,2,0,0,0,0|1,0,0]=3 5904 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 240690a_100015525214_100000719527 [0,2,0,0,0,0|1,0,0]=3 5905 B13R1.446 CCNC(=O)c1cc(ccc1Cl)O 527a_100015525214_100000719527 [0,2,0,0,0,0|1,0,0]=3 5906 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 11a_100015525214_100000212322 [0,2,0,0,0,0|1,0,0]=3 5907 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 240690a_100015525214_100000212322 [0,2,0,0,0,0|1,0,0]=3 5908 B13R1.446 CCNC(=O)c1cc(ccc1F)Br 527a_100015525214_100000212322 [0,2,0,0,0,0|1,0,0]=3 5909 B13R1.446 CCNC(=O)c1cc(ccc1F)C 11a_100015525214_100000749327 [0,2,0,0,0,0|1,0,0]=3 5910 B13R1.446 CCNC(=O)c1cc(ccc1F)C 240690a_100015525214_100000749327 [0,2,0,0,0,0|1,0,0]=3 5911 B13R1.446 CCNC(=O)c1cc(ccc1F)C 527a_100015525214_100000749327 [0,2,0,0,0,0|1,0,0]=3 5912 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 11a_100015525214_100000214954 [0,2,0,0,0,0|1,0,0]=3 5913 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 240690a_100015525214_100000214954 [0,2,0,0,0,0|1,0,0]=3 5914 B13R1.446 CCNC(=O)c1cc(ccc1F)Cl 527a_100015525214_100000214954 [0,2,0,0,0,0|1,0,0]=3 5915 B13R1.446 CCNC(=O)c1cc(ccc1F)F 11a_100015525214_100000198512 [0,2,0,0,0,0|1,0,0]=3 5916 B13R1.446 CCNC(=O)c1cc(ccc1F)F 240690a_100015525214_100000198512 [0,2,0,0,0,0|1,0,0]=3 5917 B13R1.446 CCNC(=O)c1cc(ccc1F)F 527a_100015525214_100000198512 [0,2,0,0,0,0|1,0,0]=3 5918 B13R1.446 CCNC(=O)c1cc(ccc1F)I 11a_100015525214_100000688014 [0,2,0,0,0,0|1,0,0]=3 5919 B13R1.446 CCNC(=O)c1cc(ccc1F)I 240690a_100015525214_100000688014 [0,2,0,0,0,0|1,0,0]=3 5920 B13R1.446 CCNC(=O)c1cc(ccc1F)I 527a_100015525214_100000688014 [0,2,0,0,0,0|1,0,0]=3 5921 B13R1.446 CCNC(=O)c1cc(ccc1F)O 240690a_100015525214_100000037260 [0,2,0,0,0,0|1,0,0]=3 5922 B13R1.446 CCNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155167 [0,2,0,0,0,0|1,0,0]=3 5923 B13R1.446 CCNC(=O)c1cc(ccc1F)O 527a_100015525214_100000037260 [0,2,0,0,0,0|1,0,0]=3 5924 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 11a_100015525214_100000183945 [0,2,0,0,0,0|1,0,0]=3 5925 B13R1.446 CCNC(=O)c1cc(ccc1I)Br 240690a_100015525214_100000183945 [0,2,0,0,0,0|1,0,0]=3 5926 B13R1.446 CCNC(=O)c1cc(ccc1I)C 11a_100015525214_100000057929 [0,2,0,0,0,0|1,0,0]=3 5927 B13R1.446 CCNC(=O)c1cc(ccc1I)C 240690a_100015525214_100000057929 [0,2,0,0,0,0|1,0,0]=3 5928 B13R1.446 CCNC(=O)c1cc(ccc1I)C 527a_100015525214_100000057929 [0,2,0,0,0,0|1,0,0]=3 5929 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 11a_100015525214_100000739379 [0,2,0,0,0,0|1,0,0]=3 5930 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 240690a_100015525214_100000739379 [0,2,0,0,0,0|1,0,0]=3 5931 B13R1.446 CCNC(=O)c1cc(ccc1I)Cl 527a_100015525214_100000739379 [0,2,0,0,0,0|1,0,0]=3 5932 B13R1.446 CCNC(=O)c1cc(ccc1I)F 11a_100015525214_100000748905 [0,2,0,0,0,0|1,0,0]=3 5933 B13R1.446 CCNC(=O)c1cc(ccc1I)F 240690a_100015525214_100000748905 [0,2,0,0,0,0|1,0,0]=3 5934 B13R1.446 CCNC(=O)c1cc(ccc1I)F 527a_100015525214_100000748905 [0,2,0,0,0,0|1,0,0]=3 5935 B13R1.446 CCNC(=O)c1cc(ccc1I)I 11a_100015525214_100000750460 [0,2,0,0,0,0|1,0,0]=3 5936 B13R1.446 CCNC(=O)c1cc(ccc1I)I 240690a_100015525214_100000750460 [0,2,0,0,0,0|1,0,0]=3 5937 B13R1.446 CCNC(=O)c1cc(ccc1I)I 527a_100015525214_100000750460 [0,2,0,0,0,0|1,0,0]=3 5938 B13R1.446 CCNC(=O)c1cc(ccc1I)O 240690a_100015525214_200009995701 [0,2,0,0,0,0|1,0,0]=3 5939 B13R1.446 CCNC(=O)c1cc(ccc1I)O 527a_100015525214_200009995701 [0,2,0,0,0,0|1,0,0]=3 5940 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 240690a_100015525214_100000212140 [0,2,0,0,0,0|1,0,0]=3 5941 B13R1.446 CCNC(=O)c1cc(ccc1O)Br 527a_100015525214_100000212140 [0,2,0,0,0,0|1,0,0]=3 5942 B13R1.446 CCNC(=O)c1cc(ccc1O)C 240690a_100015525214_100000229998 [0,2,0,0,0,0|1,0,0]=3 5943 B13R1.446 CCNC(=O)c1cc(ccc1O)C 527a_100015525214_100000229998 [0,2,0,0,0,0|1,0,0]=3 5944 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 11a_100015525214_100000212143 [0,2,0,0,0,0|1,0,0]=3 5945 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 240690a_100015525214_100000212143 [0,2,0,0,0,0|1,0,0]=3 5946 B13R1.446 CCNC(=O)c1cc(ccc1O)Cl 527a_100015525214_100000212143 [0,2,0,0,0,0|1,0,0]=3 5947 B13R1.446 CCNC(=O)c1cc(ccc1O)F 240690a_100015525214_100000742286 [0,2,0,0,0,0|1,0,0]=3 5948 B13R1.446 CCNC(=O)c1cc(ccc1O)F 527a_100015525214_100000742286 [0,2,0,0,0,0|1,0,0]=3 5949 B13R1.446 CCNC(=O)c1cc(ccc1O)I 240690a_100015525214_100000212111 [0,2,0,0,0,0|1,0,0]=3 5950 B13R1.446 CCNC(=O)c1cc(ccc1O)I 527a_100015525214_100000212111 [0,2,0,0,0,0|1,0,0]=3 5951 B13R1.446 CCOC(=O)c1cc(ccc1Br)O 271570a_203496583355_200012360513 [0,2,0,0,0,0|0,0,0]=2 5952 B13R1.446 CCOC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360117 [0,2,0,0,0,0|0,0,0]=2 5953 B13R1.446 CCOC(=O)c1cc(ccc1Cl)O 271570a_203496583355_200012339456 [0,2,0,0,0,0|0,0,0]=2 5954 B13R1.446 CCOC(=O)c1cc(ccc1F)O 271570a_203496583355_100000716760 [0,2,0,0,0,0|0,0,0]=2 5955 B13R1.446 CCOC(=O)c1cc(ccc1N)O 271570a_203496583355_100000747833 [0,2,0,0,0,0|0,0,0]=2 5956 B13R1.446 CCOC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000171027 [0,2,0,0,0,0|0,0,0]=2 5957 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,2,0,0,0,0|0,0,0]=2 5958 B13R1.446 CCOC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294803 [0,2,0,0,0,0|0,0,0]=2 5959 B13R1.446 CCOC(=O)c1cc(ccc1O)F 271570a_203496583355_100011206316 [0,2,0,0,0,0|0,0,0]=2 5960 B13R1.446 CCOC(=O)c1cc(ccc1O)O 271570a_203496583355_200000174078 [0,2,0,0,0,0|0,0,0]=2 5961 B13R1.446 CCOC(=O)c1cc(cnc1C)O 271570a_203496583355_100012232392 [0,2,0,0,0,0|1,0,0]=3 5962 B13R1.446 CCOC(=O)c1cc(cnc1F)O 271570a_203496583355_200010189675 [0,2,0,0,0,0|1,0,0]=3 5963 B13R1.446 CCOC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816981 [0,2,0,0,0,0|1,0,0]=3 5964 B13R1.446 CCOC(=O)c1cc(cnc1O)C 271570a_203496583355_100009868943 [0,2,0,0,0,0|1,0,0]=3 5965 B13R1.446 CCOC(=O)c1cc(cnc1O)F 271570a_203496583355_100012350521 [0,2,0,0,0,0|1,0,0]=3 5966 B13R1.446 CCOC(=O)c1cc(cnc1O)N 271570a_203496583355_200012352213 [0,2,0,0,0,0|1,0,0]=3 5967 B13R1.446 CCOC(=O)c1cc(cnc1O)O 271570a_203496583355_100010189763 [0,2,0,0,0,0|1,0,0]=3 5968 B13R1.446 CCOC(=O)c1cc(n[nH]c1=O)O 271570a_203496583355_100015715099 [0,2,0,0,0,0|2,0,0]=4 5969 B13R1.446 CCOC(=O)c1cc(ncc1C)O 271570a_203496583355_100000083727 [0,2,0,0,0,0|1,0,0]=3 5970 B13R1.446 CCOC(=O)c1cc(ncc1F)O 271570a_203496583355_100010189748 [0,2,0,0,0,0|1,0,0]=3 5971 B13R1.446 CCOC(=O)c1cc(ncc1N)O 271570a_203496583355_100010759034 [0,2,0,0,0,0|1,0,0]=3 5972 B13R1.446 CCOC(=O)c1cc(nnc1N)O 271570a_203496583355_100010587492 [0,2,0,0,0,0|2,0,0]=4 5973 B13R1.446 CCOC(=O)c1nc(ccc1C)O 271570a_203496583355_100009888570 [0,2,0,0,0,0|1,0,0]=3 5974 B13R1.446 CCOC(=O)c1nc(ccc1F)O 271570a_203496583355_100010189790 [0,2,0,0,0,0|1,0,0]=3 5975 B13R1.446 CCOC(=O)c1nc(ccc1N)O 271570a_203496583355_100010243813 [0,2,0,0,0,0|1,0,0]=3 5976 B13R1.446 CCOC(=O)c1nc(ccc1O)N 271570a_203496583355_100010172133 [0,2,0,0,0,0|1,0,0]=3 5977 B13R1.446 CCOC(=O)c1nc(ccc1O)O 271570a_203496583355_200010189762 [0,2,0,0,0,0|1,0,0]=3 5978 B13R1.446 CCOC(C)c1cc(ccc1C)C 34a_200000246511_100000210202 [0,2,0,0,0,0|1,0,1]=4 5979 B13R1.446 CCOC(C)c1cc(ccc1C)C 7a_200000246511_100000210202 [0,2,0,0,0,0|1,0,1]=4 5980 B13R1.446 CCOC(C)c1cc(ccc1C)Cl 34a_100012002745_100000210202 [0,2,0,0,0,0|1,0,1]=4 5981 B13R1.446 CCOC(C)c1cc(ccc1C)Cl 7a_100012002745_100000210202 [0,2,0,0,0,0|1,0,1]=4 5982 B13R1.446 CCOC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210202 [0,2,0,0,0,0|1,0,1]=4 5983 B13R1.446 CCOC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000210202 [0,2,0,0,0,0|1,0,1]=4 5984 B13R1.446 CCOC(C)c1cc(ccc1F)Br 34a_100011943926_100000210202 [0,2,0,0,0,0|1,0,1]=4 5985 B13R1.446 CCOC(C)c1cc(ccc1F)Br 7a_100011943926_100000210202 [0,2,0,0,0,0|1,0,1]=4 5986 B13R1.446 CCOC(C)c1cc(ccc1F)F 34a_100000246540_100000210202 [0,2,0,0,0,0|1,0,1]=4 5987 B13R1.446 CCOC(C)c1cc(ccc1F)F 7a_100000246540_100000210202 [0,2,0,0,0,0|1,0,1]=4 5988 B13R1.446 CCO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_100000210202 [0,2,0,0,0,0|1,0,1]=4 5989 B13R1.446 CCO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_100000210202 [0,2,0,0,0,0|1,0,1]=4 5990 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 2230a_106832991635_100012361344 [0,2,0,0,0,0|2,0,0]=4 5991 B13R1.446 CNCC(=O)c1cc(ccc1Br)Cl 34a_100102657272_100012361344 [0,2,0,0,0,0|2,0,0]=4 5992 B13R1.446 CNCC(=O)c1cc(ccc1C)C 2230a_106832991635_100000183774 [0,2,0,0,0,0|2,0,0]=4 5993 B13R1.446 CNCC(=O)c1cc(ccc1C)C 34a_100102657272_100000183774 [0,2,0,0,0,0|2,0,0]=4 5994 B13R1.446 CNCC(=O)c1cc(ccc1C)C 7a_106832991635_100000183774 [0,2,0,0,0,0|2,0,0]=4 5995 B13R1.446 CNCC(=O)c1cc(ccc1Cl)Cl 2230a_106832991635_100000183120 [0,2,0,0,0,0|2,0,0]=4 5996 B13R1.446 CNCC(=O)c1cc(ccc1Cl)F 34a_100102657272_200010187420 [0,2,0,0,0,0|2,0,0]=4 5997 B13R1.446 CNCC(=O)c1cc(ccc1F)F 34a_100102657272_100000211571 [0,2,0,0,0,0|2,0,0]=4 5998 B13R1.446 CNCC(=O)c1cc(ccc1F)F 7a_106832991635_100000211571 [0,2,0,0,0,0|2,0,0]=4 5999 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 34a_100102657272_200009828000 [0,2,0,0,0,0|2,0,0]=4 6000 B13R1.446 CNCC(=O)c1cc(ccc1O)Br 7a_106832991635_200009828000 [0,2,0,0,0,0|2,0,0]=4 6001 B13R1.446 CNCC(=O)c1cc(ccc1O)F 34a_100102657272_100009814381 [0,2,0,0,0,0|2,0,0]=4 6002 B13R1.446 CNCC(=O)c1cc(ccc1O)F 7a_106832991635_100000047744 [0,2,0,0,0,0|2,0,0]=4 6003 B13R1.446 CNCC(=O)c1cc(ccc1O)O 34a_100102657272_100009814097 [0,2,0,0,0,0|2,0,0]=4 6004 B13R1.446 CNCC(=O)c1cc(ccc1O)O 7a_106832991635_100009814097 [0,2,0,0,0,0|2,0,0]=4 6005 B13R1.446 CNNC(=O)c1cc(ccc1Br)Br 22a_100016993582_100000690610 [0,2,0,0,0,0|2,0,0]=4 6006 B13R1.446 CNNC(=O)c1cc(ccc1Br)C 22a_100016993582_100000689033 [0,2,0,0,0,0|2,0,0]=4 6007 B13R1.446 CNNC(=O)c1cc(ccc1Br)Cl 22a_100016993582_100000736951 [0,2,0,0,0,0|2,0,0]=4 6008 B13R1.446 CNNC(=O)c1cc(ccc1Br)F 22a_100016993582_100000212315 [0,2,0,0,0,0|2,0,0]=4 6009 B13R1.446 CNNC(=O)c1cc(ccc1Br)I 22a_100016993582_100000698340 [0,2,0,0,0,0|2,0,0]=4 6010 B13R1.446 CNNC(=O)c1cc(ccc1Br)O 22a_100016993582_100012352043 [0,2,0,0,0,0|2,0,0]=4 6011 B13R1.446 CNNC(=O)c1cc(ccc1C)Br 22a_100016993582_100000759961 [0,2,0,0,0,0|2,0,0]=4 6012 B13R1.446 CNNC(=O)c1cc(ccc1C)C 22a_100016993582_100000195421 [0,2,0,0,0,0|2,0,0]=4 6013 B13R1.446 CNNC(=O)c1cc(ccc1C)Cl 22a_100016993582_100000692595 [0,2,0,0,0,0|2,0,0]=4 6014 B13R1.446 CNNC(=O)c1cc(ccc1C)F 22a_100016993582_100000240043 [0,2,0,0,0,0|2,0,0]=4 6015 B13R1.446 CNNC(=O)c1cc(ccc1C)I 22a_100016993582_100000688012 [0,2,0,0,0,0|2,0,0]=4 6016 B13R1.446 CNNC(=O)c1cc(ccc1C)O 22a_100016993582_100000687834 [0,2,0,0,0,0|2,0,0]=4 6017 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Br 22a_100016993582_100000211212 [0,2,0,0,0,0|2,0,0]=4 6018 B13R1.446 CNNC(=O)c1cc(ccc1Cl)C 22a_100016993582_100011290873 [0,2,0,0,0,0|2,0,0]=4 6019 B13R1.446 CNNC(=O)c1cc(ccc1Cl)Cl 22a_100016993582_100000210642 [0,2,0,0,0,0|2,0,0]=4 6020 B13R1.446 CNNC(=O)c1cc(ccc1Cl)F 22a_100016993582_100011219680 [0,2,0,0,0,0|2,0,0]=4 6021 B13R1.446 CNNC(=O)c1cc(ccc1Cl)I 22a_100016993582_100000688013 [0,2,0,0,0,0|2,0,0]=4 6022 B13R1.446 CNNC(=O)c1cc(ccc1Cl)O 22a_100016993582_100000719527 [0,2,0,0,0,0|2,0,0]=4 6023 B13R1.446 CNNC(=O)c1cc(ccc1F)Br 22a_100016993582_100000212322 [0,2,0,0,0,0|2,0,0]=4 6024 B13R1.446 CNNC(=O)c1cc(ccc1F)C 22a_100016993582_100000749327 [0,2,0,0,0,0|2,0,0]=4 6025 B13R1.446 CNNC(=O)c1cc(ccc1F)Cl 22a_100016993582_100000214954 [0,2,0,0,0,0|2,0,0]=4 6026 B13R1.446 CNNC(=O)c1cc(ccc1F)F 22a_100016993582_100000198512 [0,2,0,0,0,0|2,0,0]=4 6027 B13R1.446 CNNC(=O)c1cc(ccc1F)I 22a_100016993582_100000688014 [0,2,0,0,0,0|2,0,0]=4 6028 B13R1.446 CNNC(=O)c1cc(ccc1F)O 22a_100016993582_100000037260 [0,2,0,0,0,0|2,0,0]=4 6029 B13R1.446 CNNC(=O)c1cc(ccc1I)Br 22a_100016993582_100000183945 [0,2,0,0,0,0|2,0,0]=4 6030 B13R1.446 CNNC(=O)c1cc(ccc1I)C 22a_100016993582_100000057929 [0,2,0,0,0,0|2,0,0]=4 6031 B13R1.446 CNNC(=O)c1cc(ccc1I)Cl 22a_100016993582_100000739379 [0,2,0,0,0,0|2,0,0]=4 6032 B13R1.446 CNNC(=O)c1cc(ccc1I)F 22a_100016993582_100000748905 [0,2,0,0,0,0|2,0,0]=4 6033 B13R1.446 CNNC(=O)c1cc(ccc1I)I 22a_100016993582_100000750460 [0,2,0,0,0,0|2,0,0]=4 6034 B13R1.446 CNNC(=O)c1cc(ccc1I)O 22a_100016993582_200009995701 [0,2,0,0,0,0|2,0,0]=4 6035 B13R1.446 CNNC(=O)c1cc(ccc1O)Br 22a_100016993582_100000212140 [0,2,0,0,0,0|2,0,0]=4 6036 B13R1.446 CNNC(=O)c1cc(ccc1O)C 22a_100016993582_100000229998 [0,2,0,0,0,0|2,0,0]=4 6037 B13R1.446 CNNC(=O)c1cc(ccc1O)Cl 22a_100016993582_100000212143 [0,2,0,0,0,0|2,0,0]=4 6038 B13R1.446 CNNC(=O)c1cc(ccc1O)F 22a_100016993582_100000742286 [0,2,0,0,0,0|2,0,0]=4 6039 B13R1.446 CNNC(=O)c1cc(ccc1O)I 22a_100016993582_100000212111 [0,2,0,0,0,0|2,0,0]=4 6040 B13R1.446 COCC(=O)c1cc(ccc1Br)Cl 34a_100138415774_100012361344 [0,2,0,0,0,0|2,0,0]=4 6041 B13R1.446 COCC(=O)c1cc(ccc1C)C 34a_100138415774_100000183774 [0,2,0,0,0,0|2,0,0]=4 6042 B13R1.446 COCC(=O)c1cc(ccc1Cl)F 34a_100138415774_200010187420 [0,2,0,0,0,0|2,0,0]=4 6043 B13R1.446 COCC(=O)c1cc(ccc1F)F 34a_100138415774_100000211571 [0,2,0,0,0,0|2,0,0]=4 6044 B13R1.446 COCC(=O)c1cc(ccc1O)Br 34a_100138415774_200009828000 [0,2,0,0,0,0|2,0,0]=4 6045 B13R1.446 COCC(=O)c1cc(ccc1O)F 34a_100138415774_100009814381 [0,2,0,0,0,0|2,0,0]=4 6046 B13R1.446 COCC(=O)c1cc(ccc1O)O 34a_100138415774_100009814097 [0,2,0,0,0,0|2,0,0]=4 6047 B13R1.446 CSCC(=O)c1cc(ccc1Br)Cl 62a_100012361344_200000210301 [0,2,0,0,0,0|2,0,0]=4 6048 B13R1.446 CSCC(=O)c1cc(ccc1C)C 62a_100000183774_200000210301 [0,2,0,0,0,0|2,0,0]=4 6049 B13R1.446 CSCC(=O)c1cc(ccc1C)C 62a_200000210301_100000183774 [0,2,0,0,0,0|2,0,0]=4 6050 B13R1.446 CSCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_200000210301 [0,2,0,0,0,0|2,0,0]=4 6051 B13R1.446 CSCC(=O)c1cc(ccc1Cl)F 62a_200000210301_200010187420 [0,2,0,0,0,0|2,0,0]=4 6052 B13R1.446 CSCC(=O)c1cc(ccc1Cl)F 62a_200010187420_200000210301 [0,2,0,0,0,0|2,0,0]=4 6053 B13R1.446 CSCC(=O)c1cc(ccc1F)F 62a_100000211571_200000210301 [0,2,0,0,0,0|2,0,0]=4 6054 B13R1.446 CSCC(=O)c1cc(ccc1F)F 62a_200000210301_100000211571 [0,2,0,0,0,0|2,0,0]=4 6055 B13R1.446 CSCC(=O)c1cc(ccc1O)Br 62a_200009828000_200000210301 [0,2,0,0,0,0|2,0,0]=4 6056 B13R1.446 CSCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200000210301 [0,2,0,0,0,0|2,0,0]=4 6057 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_100009814381_200000210301 [0,2,0,0,0,0|2,0,0]=4 6058 B13R1.446 CSCC(=O)c1cc(ccc1O)F 62a_200000210301_100009814381 [0,2,0,0,0,0|2,0,0]=4 6059 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_100009814097_200000210301 [0,2,0,0,0,0|2,0,0]=4 6060 B13R1.446 CSCC(=O)c1cc(ccc1O)O 62a_200000210301_100009814097 [0,2,0,0,0,0|2,0,0]=4 6061 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)Br 1458a_100000689033_100011217306 [0,2,0,0,0,0|2,0,0]=4 6062 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)C 1458a_100000195421_100011217306 [0,2,0,0,0,0|2,0,0]=4 6063 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)Cl 1458a_100011290873_100011217306 [0,2,0,0,0,0|2,0,0]=4 6064 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)F 1458a_100000749327_100011217306 [0,2,0,0,0,0|2,0,0]=4 6065 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)I 1458a_100000057929_100011217306 [0,2,0,0,0,0|2,0,0]=4 6066 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)O 1458a_100000229998_100011217306 [0,2,0,0,0,0|2,0,0]=4 6067 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Br 1458a_100000689033_100000211926 [0,2,0,0,0,0|2,0,0]=4 6068 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)C 1458a_100000195421_100000211926 [0,2,0,0,0,0|2,0,0]=4 6069 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)Cl 1458a_100011290873_100000211926 [0,2,0,0,0,0|2,0,0]=4 6070 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)F 1458a_100000749327_100000211926 [0,2,0,0,0,0|2,0,0]=4 6071 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)I 1458a_100000057929_100000211926 [0,2,0,0,0,0|2,0,0]=4 6072 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)O 1458a_100000229998_100000211926 [0,2,0,0,0,0|2,0,0]=4 6073 B13R1.446 Cc1ccc(c(c1)C(=O)CS[13CH3])C 62a_100000183774_200025704644 [0,2,0,0,0,0|2,0,0]=4 6074 B13R1.446 Cc1ccc(c(c1)C(=O)CS[13CH3])C 62a_200025704644_100000183774 [0,2,0,0,0,0|2,0,0]=4 6075 B13R1.446 Cc1ccc(cc1C(=O)CCF)Br 1458a_100000759961_100011217306 [0,2,0,0,0,0|2,0,0]=4 6076 B13R1.446 Cc1ccc(cc1C(=O)CCF)Cl 1458a_100000692595_100011217306 [0,2,0,0,0,0|2,0,0]=4 6077 B13R1.446 Cc1ccc(cc1C(=O)CCF)F 1458a_100000240043_100011217306 [0,2,0,0,0,0|2,0,0]=4 6078 B13R1.446 Cc1ccc(cc1C(=O)CCF)I 1458a_100000688012_100011217306 [0,2,0,0,0,0|2,0,0]=4 6079 B13R1.446 Cc1ccc(cc1C(=O)CCF)O 1458a_100000687834_100011217306 [0,2,0,0,0,0|2,0,0]=4 6080 B13R1.446 Cc1ccc(cc1C(=O)CCO)Br 1458a_100000759961_100000211926 [0,2,0,0,0,0|2,0,0]=4 6081 B13R1.446 Cc1ccc(cc1C(=O)CCO)Cl 1458a_100000692595_100000211926 [0,2,0,0,0,0|2,0,0]=4 6082 B13R1.446 Cc1ccc(cc1C(=O)CCO)F 1458a_100000240043_100000211926 [0,2,0,0,0,0|2,0,0]=4 6083 B13R1.446 Cc1ccc(cc1C(=O)CCO)I 1458a_100000688012_100000211926 [0,2,0,0,0,0|2,0,0]=4 6084 B13R1.446 Cc1ccc(cc1C(=O)CCO)O 1458a_100000687834_100000211926 [0,2,0,0,0,0|2,0,0]=4 6085 B13R1.446 O=C(CCF)c1cc(ccc1Br)Br 1458a_100000690610_100011217306 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.446 O=C(CCF)c1cc(ccc1Br)Cl 1458a_100000736951_100011217306 [0,2,0,0,0,0|2,0,0]=4 6087 B13R1.446 O=C(CCF)c1cc(ccc1Br)F 1458a_100000212315_100011217306 [0,2,0,0,0,0|2,0,0]=4 6088 B13R1.446 O=C(CCF)c1cc(ccc1Br)I 1458a_100000698340_100011217306 [0,2,0,0,0,0|2,0,0]=4 6089 B13R1.446 O=C(CCF)c1cc(ccc1Br)O 1458a_100012352043_100011217306 [0,2,0,0,0,0|2,0,0]=4 6090 B13R1.446 O=C(CCF)c1cc(ccc1Cl)Br 1458a_100000211212_100011217306 [0,2,0,0,0,0|2,0,0]=4 6091 B13R1.446 O=C(CCF)c1cc(ccc1Cl)Cl 1458a_100000210642_100011217306 [0,2,0,0,0,0|2,0,0]=4 6092 B13R1.446 O=C(CCF)c1cc(ccc1Cl)F 1458a_100011219680_100011217306 [0,2,0,0,0,0|2,0,0]=4 6093 B13R1.446 O=C(CCF)c1cc(ccc1Cl)I 1458a_100000688013_100011217306 [0,2,0,0,0,0|2,0,0]=4 6094 B13R1.446 O=C(CCF)c1cc(ccc1Cl)O 1458a_100000719527_100011217306 [0,2,0,0,0,0|2,0,0]=4 6095 B13R1.446 O=C(CCF)c1cc(ccc1F)Br 1458a_100000212322_100011217306 [0,2,0,0,0,0|2,0,0]=4 6096 B13R1.446 O=C(CCF)c1cc(ccc1F)Cl 1458a_100000214954_100011217306 [0,2,0,0,0,0|2,0,0]=4 6097 B13R1.446 O=C(CCF)c1cc(ccc1F)F 1458a_100000198512_100011217306 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.446 O=C(CCF)c1cc(ccc1F)I 1458a_100000688014_100011217306 [0,2,0,0,0,0|2,0,0]=4 6099 B13R1.446 O=C(CCF)c1cc(ccc1F)O 1458a_100000037260_100011217306 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.446 O=C(CCF)c1cc(ccc1I)Br 1458a_100000183945_100011217306 [0,2,0,0,0,0|2,0,0]=4 6101 B13R1.446 O=C(CCF)c1cc(ccc1I)Cl 1458a_100000739379_100011217306 [0,2,0,0,0,0|2,0,0]=4 6102 B13R1.446 O=C(CCF)c1cc(ccc1I)F 1458a_100000748905_100011217306 [0,2,0,0,0,0|2,0,0]=4 6103 B13R1.446 O=C(CCF)c1cc(ccc1I)I 1458a_100000750460_100011217306 [0,2,0,0,0,0|2,0,0]=4 6104 B13R1.446 O=C(CCF)c1cc(ccc1I)O 1458a_200009995701_100011217306 [0,2,0,0,0,0|2,0,0]=4 6105 B13R1.446 O=C(CCF)c1cc(ccc1O)Br 1458a_100000212140_100011217306 [0,2,0,0,0,0|2,0,0]=4 6106 B13R1.446 O=C(CCF)c1cc(ccc1O)Cl 1458a_100000212143_100011217306 [0,2,0,0,0,0|2,0,0]=4 6107 B13R1.446 O=C(CCF)c1cc(ccc1O)F 1458a_100000742286_100011217306 [0,2,0,0,0,0|2,0,0]=4 6108 B13R1.446 O=C(CCF)c1cc(ccc1O)I 1458a_100000212111_100011217306 [0,2,0,0,0,0|2,0,0]=4 6109 B13R1.446 O=C(CCF)c1cc(ccc1O)O 1458a_100000758025_100011217306 [0,2,0,0,0,0|2,0,0]=4 6110 B13R1.446 O=C(CCO)c1cc(ccc1Br)Br 1458a_100000690610_100000211926 [0,2,0,0,0,0|2,0,0]=4 6111 B13R1.446 O=C(CCO)c1cc(ccc1Br)Cl 1458a_100000736951_100000211926 [0,2,0,0,0,0|2,0,0]=4 6112 B13R1.446 O=C(CCO)c1cc(ccc1Br)F 1458a_100000212315_100000211926 [0,2,0,0,0,0|2,0,0]=4 6113 B13R1.446 O=C(CCO)c1cc(ccc1Br)I 1458a_100000698340_100000211926 [0,2,0,0,0,0|2,0,0]=4 6114 B13R1.446 O=C(CCO)c1cc(ccc1Br)O 1458a_100012352043_100000211926 [0,2,0,0,0,0|2,0,0]=4 6115 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Br 1458a_100000211212_100000211926 [0,2,0,0,0,0|2,0,0]=4 6116 B13R1.446 O=C(CCO)c1cc(ccc1Cl)Cl 1458a_100000210642_100000211926 [0,2,0,0,0,0|2,0,0]=4 6117 B13R1.446 O=C(CCO)c1cc(ccc1Cl)F 1458a_100011219680_100000211926 [0,2,0,0,0,0|2,0,0]=4 6118 B13R1.446 O=C(CCO)c1cc(ccc1Cl)I 1458a_100000688013_100000211926 [0,2,0,0,0,0|2,0,0]=4 6119 B13R1.446 O=C(CCO)c1cc(ccc1Cl)O 1458a_100000719527_100000211926 [0,2,0,0,0,0|2,0,0]=4 6120 B13R1.446 O=C(CCO)c1cc(ccc1F)Br 1458a_100000212322_100000211926 [0,2,0,0,0,0|2,0,0]=4 6121 B13R1.446 O=C(CCO)c1cc(ccc1F)Cl 1458a_100000214954_100000211926 [0,2,0,0,0,0|2,0,0]=4 6122 B13R1.446 O=C(CCO)c1cc(ccc1F)F 1458a_100000198512_100000211926 [0,2,0,0,0,0|2,0,0]=4 6123 B13R1.446 O=C(CCO)c1cc(ccc1F)I 1458a_100000688014_100000211926 [0,2,0,0,0,0|2,0,0]=4 6124 B13R1.446 O=C(CCO)c1cc(ccc1F)O 1458a_100000037260_100000211926 [0,2,0,0,0,0|2,0,0]=4 6125 B13R1.446 O=C(CCO)c1cc(ccc1I)Br 1458a_100000183945_100000211926 [0,2,0,0,0,0|2,0,0]=4 6126 B13R1.446 O=C(CCO)c1cc(ccc1I)Cl 1458a_100000739379_100000211926 [0,2,0,0,0,0|2,0,0]=4 6127 B13R1.446 O=C(CCO)c1cc(ccc1I)F 1458a_100000748905_100000211926 [0,2,0,0,0,0|2,0,0]=4 6128 B13R1.446 O=C(CCO)c1cc(ccc1I)I 1458a_100000750460_100000211926 [0,2,0,0,0,0|2,0,0]=4 6129 B13R1.446 O=C(CCO)c1cc(ccc1I)O 1458a_200009995701_100000211926 [0,2,0,0,0,0|2,0,0]=4 6130 B13R1.446 O=C(CCO)c1cc(ccc1O)Br 1458a_100000212140_100000211926 [0,2,0,0,0,0|2,0,0]=4 6131 B13R1.446 O=C(CCO)c1cc(ccc1O)Cl 1458a_100000212143_100000211926 [0,2,0,0,0,0|2,0,0]=4 6132 B13R1.446 O=C(CCO)c1cc(ccc1O)F 1458a_100000742286_100000211926 [0,2,0,0,0,0|2,0,0]=4 6133 B13R1.446 O=C(CCO)c1cc(ccc1O)I 1458a_100000212111_100000211926 [0,2,0,0,0,0|2,0,0]=4 6134 B13R1.446 O=C(CCO)c1cc(ccc1O)O 1458a_100000758025_100000211926 [0,2,0,0,0,0|2,0,0]=4 6135 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Br)Cl 62a_100012361344_200025704644 [0,2,0,0,0,0|2,0,0]=4 6136 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_200025704644 [0,2,0,0,0,0|2,0,0]=4 6137 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)F 62a_200010187420_200025704644 [0,2,0,0,0,0|2,0,0]=4 6138 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1Cl)F 62a_200025704644_200010187420 [0,2,0,0,0,0|2,0,0]=4 6139 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1F)F 62a_100000211571_200025704644 [0,2,0,0,0,0|2,0,0]=4 6140 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1F)F 62a_200025704644_100000211571 [0,2,0,0,0,0|2,0,0]=4 6141 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Br 62a_200009828000_200025704644 [0,2,0,0,0,0|2,0,0]=4 6142 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)Cl 62a_200009816716_200025704644 [0,2,0,0,0,0|2,0,0]=4 6143 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_100009814381_200025704644 [0,2,0,0,0,0|2,0,0]=4 6144 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)F 62a_200025704644_100009814381 [0,2,0,0,0,0|2,0,0]=4 6145 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_100009814097_200025704644 [0,2,0,0,0,0|2,0,0]=4 6146 B13R1.446 [13CH3]SCC(=O)c1cc(ccc1O)O 62a_200025704644_100009814097 [0,2,0,0,0,0|2,0,0]=4 6147 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210303 [0,2,0,0,0,0|1,0,0]=3 6148 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210303 [0,2,0,0,0,0|1,0,0]=3 6149 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210303 [0,2,0,0,0,0|1,0,0]=3 6150 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210303 [0,2,0,0,0,0|1,0,0]=3 6151 B13R1.450 CCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210303 [0,2,0,0,0,0|1,0,0]=3 6152 B13R1.450 CCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210303 [0,2,0,0,0,0|1,0,0]=3 6153 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210303 [0,2,0,0,0,0|1,0,0]=3 6154 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210303 [0,2,0,0,0,0|1,0,0]=3 6155 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210303 [0,2,0,0,0,0|1,0,0]=3 6156 B13R1.450 CCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210303 [0,2,0,0,0,0|1,0,0]=3 6157 B13R1.450 CCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210303 [0,2,0,0,0,0|1,0,0]=3 6158 B13R1.450 CCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210303 [0,2,0,0,0,0|1,0,0]=3 6159 B13R1.450 CCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210303 [0,2,0,0,0,0|1,0,0]=3 6160 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210303 [0,2,0,0,0,0|1,0,0]=3 6161 B13R1.450 CCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210303 [0,2,0,0,0,0|1,0,0]=3 6162 B13R1.450 CCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210303 [0,2,0,0,0,0|1,0,0]=3 6163 B13R1.450 CCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210303 [0,2,0,0,0,0|1,0,0]=3 6164 B13R1.450 CCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210303 [0,2,0,0,0,0|1,0,0]=3 6165 B13R1.450 CCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210303 [0,2,0,0,0,0|1,0,0]=3 6166 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 11a_100015525214_100000687083 [0,2,0,0,0,0|1,0,0]=3 6167 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 240690a_100015525214_100000687083 [0,2,0,0,0,0|1,0,0]=3 6168 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Br 527a_100015525214_100000687083 [0,2,0,0,0,0|1,0,0]=3 6169 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 11a_100015525214_100000760426 [0,2,0,0,0,0|1,0,0]=3 6170 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 240690a_100015525214_100000760426 [0,2,0,0,0,0|1,0,0]=3 6171 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)C 527a_100015525214_100000760426 [0,2,0,0,0,0|1,0,0]=3 6172 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 11a_100015525214_100000687899 [0,2,0,0,0,0|1,0,0]=3 6173 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100015525214_100000687899 [0,2,0,0,0,0|1,0,0]=3 6174 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)Cl 527a_100015525214_100000687899 [0,2,0,0,0,0|1,0,0]=3 6175 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 11a_100015525214_100000739618 [0,2,0,0,0,0|1,0,0]=3 6176 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 240690a_100015525214_100000739618 [0,2,0,0,0,0|1,0,0]=3 6177 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)F 527a_100015525214_100000739618 [0,2,0,0,0,0|1,0,0]=3 6178 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 240690a_100015525214_100011934545 [0,2,0,0,0,0|1,0,0]=3 6179 B13R1.450 CCNC(=O)c1cc(cc(c1)Br)O 527a_100015525214_100011934545 [0,2,0,0,0,0|1,0,0]=3 6180 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 11a_100015525214_100000210874 [0,2,0,0,0,0|1,0,0]=3 6181 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 240690a_100015525214_100000210874 [0,2,0,0,0,0|1,0,0]=3 6182 B13R1.450 CCNC(=O)c1cc(cc(c1)C)C 527a_100015525214_100000210874 [0,2,0,0,0,0|1,0,0]=3 6183 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 11a_100015525214_100000684526 [0,2,0,0,0,0|1,0,0]=3 6184 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 240690a_100015525214_100000684526 [0,2,0,0,0,0|1,0,0]=3 6185 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)C 527a_100015525214_100000684526 [0,2,0,0,0,0|1,0,0]=3 6186 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100015525214_100000210701 [0,2,0,0,0,0|1,0,0]=3 6187 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100015525214_100000210701 [0,2,0,0,0,0|1,0,0]=3 6188 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100015525214_100000210701 [0,2,0,0,0,0|1,0,0]=3 6189 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 11a_100015525214_100000685768 [0,2,0,0,0,0|1,0,0]=3 6190 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 240690a_100015525214_100000685768 [0,2,0,0,0,0|1,0,0]=3 6191 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)F 527a_100015525214_100000685768 [0,2,0,0,0,0|1,0,0]=3 6192 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 240690a_100015525214_100011997059 [0,2,0,0,0,0|1,0,0]=3 6193 B13R1.450 CCNC(=O)c1cc(cc(c1)Cl)O 527a_100015525214_100011997059 [0,2,0,0,0,0|1,0,0]=3 6194 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 11a_100015525214_100000763163 [0,2,0,0,0,0|1,0,0]=3 6195 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 240690a_100015525214_100000763163 [0,2,0,0,0,0|1,0,0]=3 6196 B13R1.450 CCNC(=O)c1cc(cc(c1)F)C 527a_100015525214_100000763163 [0,2,0,0,0,0|1,0,0]=3 6197 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 11a_100015525214_100000211655 [0,2,0,0,0,0|1,0,0]=3 6198 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 240690a_100015525214_100000211655 [0,2,0,0,0,0|1,0,0]=3 6199 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F 527a_100015525214_100000211655 [0,2,0,0,0,0|1,0,0]=3 6200 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 11a_100015525214_100012017291 [0,2,0,0,0,0|1,0,0]=3 6201 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 240690a_100015525214_100012017291 [0,2,0,0,0,0|1,0,0]=3 6202 B13R1.450 CCNC(=O)c1cc(cc(c1)F)O 527a_100015525214_100012017291 [0,2,0,0,0,0|1,0,0]=3 6203 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 11a_100015525214_100000689235 [0,2,0,0,0,0|1,0,0]=3 6204 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 240690a_100015525214_100000689235 [0,2,0,0,0,0|1,0,0]=3 6205 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Br 527a_100015525214_100000689235 [0,2,0,0,0,0|1,0,0]=3 6206 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 11a_100015525214_100000729426 [0,2,0,0,0,0|1,0,0]=3 6207 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 240690a_100015525214_100000729426 [0,2,0,0,0,0|1,0,0]=3 6208 B13R1.450 CCNC(=O)c1cc(cc(c1)I)C 527a_100015525214_100000729426 [0,2,0,0,0,0|1,0,0]=3 6209 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 11a_100015525214_100012047205 [0,2,0,0,0,0|1,0,0]=3 6210 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 240690a_100015525214_100012047205 [0,2,0,0,0,0|1,0,0]=3 6211 B13R1.450 CCNC(=O)c1cc(cc(c1)I)Cl 527a_100015525214_100012047205 [0,2,0,0,0,0|1,0,0]=3 6212 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 11a_100015525214_100012047268 [0,2,0,0,0,0|1,0,0]=3 6213 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 240690a_100015525214_100012047268 [0,2,0,0,0,0|1,0,0]=3 6214 B13R1.450 CCNC(=O)c1cc(cc(c1)I)F 527a_100015525214_100012047268 [0,2,0,0,0,0|1,0,0]=3 6215 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 11a_100015525214_100011204819 [0,2,0,0,0,0|1,0,0]=3 6216 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 240690a_100015525214_100011204819 [0,2,0,0,0,0|1,0,0]=3 6217 B13R1.450 CCNC(=O)c1cc(cc(c1)I)I 527a_100015525214_100011204819 [0,2,0,0,0,0|1,0,0]=3 6218 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 240690a_100015525214_100000094094 [0,2,0,0,0,0|1,0,0]=3 6219 B13R1.450 CCNC(=O)c1cc(cc(c1)O)C 527a_100015525214_100000094094 [0,2,0,0,0,0|1,0,0]=3 6220 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 240690a_100015525214_100000690292 [0,2,0,0,0,0|1,0,0]=3 6221 B13R1.450 CCNC(=O)c1cc(cc(c1)O)O 527a_100015525214_100000690292 [0,2,0,0,0,0|1,0,0]=3 6222 B13R1.450 CCOC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_200012351389 [0,2,0,0,0,0|0,0,0]=2 6223 B13R1.450 CCOC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011295119 [0,2,0,0,0,0|0,0,0]=2 6224 B13R1.450 CCOC(=O)c1cc(cc(n1)C)O 271570a_203496583355_100010743377 [0,2,0,0,0,0|1,0,0]=3 6225 B13R1.450 CCOC(=O)c1cc(cc(n1)O)C 271570a_203496583355_200000094552 [0,2,0,0,0,0|1,0,0]=3 6226 B13R1.450 CCOC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100011830423 [0,2,0,0,0,0|1,0,0]=3 6227 B13R1.450 CCOC(=O)c1cc(nc(n1)C)O 271570a_203496583355_100010080588 [0,2,0,0,0,0|2,0,0]=4 6228 B13R1.450 CCOC(=O)c1cc(nc(n1)O)C 271570a_203496583355_100011219489 [0,2,0,0,0,0|2,0,0]=4 6229 B13R1.450 CCO[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_100000210202 [0,2,0,0,0,0|1,0,1]=4 6230 B13R1.450 CCO[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_100000210202 [0,2,0,0,0,0|1,0,1]=4 6231 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 2230a_106832991635_200012340517 [0,2,0,0,0,0|2,0,0]=4 6232 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 34a_100102657272_200012340517 [0,2,0,0,0,0|2,0,0]=4 6233 B13R1.450 CNCC(=O)c1cc(cc(c1)Cl)Cl 7a_106832991635_200012340517 [0,2,0,0,0,0|2,0,0]=4 6234 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 2230a_106832991635_100011216790 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 34a_100102657272_100011216790 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.450 CNCC(=O)c1cc(cc(c1)F)F 7a_106832991635_100011216790 [0,2,0,0,0,0|2,0,0]=4 6237 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 2230a_106832991635_100010006762 [0,2,0,0,0,0|2,0,0]=4 6238 B13R1.450 CNCC(=O)c1cc(cc(c1)O)O 34a_100102657272_100010006762 [0,2,0,0,0,0|2,0,0]=4 6239 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)Br 22a_100016993582_100000687083 [0,2,0,0,0,0|2,0,0]=4 6240 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)C 22a_100016993582_100000760426 [0,2,0,0,0,0|2,0,0]=4 6241 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)Cl 22a_100016993582_100000687899 [0,2,0,0,0,0|2,0,0]=4 6242 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)F 22a_100016993582_100000739618 [0,2,0,0,0,0|2,0,0]=4 6243 B13R1.450 CNNC(=O)c1cc(cc(c1)Br)O 22a_100016993582_100011934545 [0,2,0,0,0,0|2,0,0]=4 6244 B13R1.450 CNNC(=O)c1cc(cc(c1)C)C 22a_100016993582_100000210874 [0,2,0,0,0,0|2,0,0]=4 6245 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)C 22a_100016993582_100000684526 [0,2,0,0,0,0|2,0,0]=4 6246 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)Cl 22a_100016993582_100000210701 [0,2,0,0,0,0|2,0,0]=4 6247 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)F 22a_100016993582_100000685768 [0,2,0,0,0,0|2,0,0]=4 6248 B13R1.450 CNNC(=O)c1cc(cc(c1)Cl)O 22a_100016993582_100011997059 [0,2,0,0,0,0|2,0,0]=4 6249 B13R1.450 CNNC(=O)c1cc(cc(c1)F)C 22a_100016993582_100000763163 [0,2,0,0,0,0|2,0,0]=4 6250 B13R1.450 CNNC(=O)c1cc(cc(c1)F)F 22a_100016993582_100000211655 [0,2,0,0,0,0|2,0,0]=4 6251 B13R1.450 CNNC(=O)c1cc(cc(c1)F)O 22a_100016993582_100012017291 [0,2,0,0,0,0|2,0,0]=4 6252 B13R1.450 CNNC(=O)c1cc(cc(c1)I)Br 22a_100016993582_100000689235 [0,2,0,0,0,0|2,0,0]=4 6253 B13R1.450 CNNC(=O)c1cc(cc(c1)I)C 22a_100016993582_100000729426 [0,2,0,0,0,0|2,0,0]=4 6254 B13R1.450 CNNC(=O)c1cc(cc(c1)I)Cl 22a_100016993582_100012047205 [0,2,0,0,0,0|2,0,0]=4 6255 B13R1.450 CNNC(=O)c1cc(cc(c1)I)F 22a_100016993582_100012047268 [0,2,0,0,0,0|2,0,0]=4 6256 B13R1.450 CNNC(=O)c1cc(cc(c1)I)I 22a_100016993582_100011204819 [0,2,0,0,0,0|2,0,0]=4 6257 B13R1.450 CNNC(=O)c1cc(cc(c1)O)C 22a_100016993582_100000094094 [0,2,0,0,0,0|2,0,0]=4 6258 B13R1.450 CNNC(=O)c1cc(cc(c1)O)O 22a_100016993582_100000690292 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.450 COCC(=O)c1cc(cc(c1)Cl)Cl 34a_100138415774_200012340517 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.450 COCC(=O)c1cc(cc(c1)F)F 34a_100012568930_200000210301 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.450 COCC(=O)c1cc(cc(c1)F)F 34a_100138415774_100011216790 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.450 COCC(=O)c1cc(cc(c1)F)F 7a_100012568930_200000210301 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.450 COCC(=O)c1cc(cc(c1)O)O 34a_100138415774_100010006762 [0,2,0,0,0,0|2,0,0]=4 6264 B13R1.450 CSCC(=O)c1cc(cc(c1)Cl)Cl 62a_200000210301_200012340517 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.450 CSCC(=O)c1cc(cc(c1)Cl)Cl 62a_200012340517_200000210301 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.450 CSCC(=O)c1cc(cc(c1)F)F 62a_100011216790_200000210301 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.450 CSCC(=O)c1cc(cc(c1)F)F 62a_200000210301_100011216790 [0,2,0,0,0,0|2,0,0]=4 6268 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200000210301 [0,2,0,0,0,0|2,0,0]=4 6269 B13R1.450 CSCC(=O)c1cc(cc(c1)O)O 62a_200000210301_100010006762 [0,2,0,0,0,0|2,0,0]=4 6270 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)Br 1458a_100000760426_100011217306 [0,2,0,0,0,0|2,0,0]=4 6271 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)C 1458a_100000210874_100011217306 [0,2,0,0,0,0|2,0,0]=4 6272 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)Cl 1458a_100000684526_100011217306 [0,2,0,0,0,0|2,0,0]=4 6273 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)F 1458a_100000763163_100011217306 [0,2,0,0,0,0|2,0,0]=4 6274 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)I 1458a_100000729426_100011217306 [0,2,0,0,0,0|2,0,0]=4 6275 B13R1.450 Cc1cc(cc(c1)C(=O)CCF)O 1458a_100000094094_100011217306 [0,2,0,0,0,0|2,0,0]=4 6276 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)Br 1458a_100000760426_100000211926 [0,2,0,0,0,0|2,0,0]=4 6277 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)C 1458a_100000210874_100000211926 [0,2,0,0,0,0|2,0,0]=4 6278 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)Cl 1458a_100000684526_100000211926 [0,2,0,0,0,0|2,0,0]=4 6279 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)F 1458a_100000763163_100000211926 [0,2,0,0,0,0|2,0,0]=4 6280 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)I 1458a_100000729426_100000211926 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.450 Cc1cc(cc(c1)C(=O)CCO)O 1458a_100000094094_100000211926 [0,2,0,0,0,0|2,0,0]=4 6282 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)Br 1458a_100000687083_100011217306 [0,2,0,0,0,0|2,0,0]=4 6283 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100011217306 [0,2,0,0,0,0|2,0,0]=4 6284 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)F 1458a_100000739618_100011217306 [0,2,0,0,0,0|2,0,0]=4 6285 B13R1.450 O=C(CCF)c1cc(cc(c1)Br)O 1458a_100011934545_100011217306 [0,2,0,0,0,0|2,0,0]=4 6286 B13R1.450 O=C(CCF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100011217306 [0,2,0,0,0,0|2,0,0]=4 6287 B13R1.450 O=C(CCF)c1cc(cc(c1)Cl)F 1458a_100000685768_100011217306 [0,2,0,0,0,0|2,0,0]=4 6288 B13R1.450 O=C(CCF)c1cc(cc(c1)Cl)O 1458a_100011997059_100011217306 [0,2,0,0,0,0|2,0,0]=4 6289 B13R1.450 O=C(CCF)c1cc(cc(c1)F)F 1458a_100000211655_100011217306 [0,2,0,0,0,0|2,0,0]=4 6290 B13R1.450 O=C(CCF)c1cc(cc(c1)F)O 1458a_100012017291_100011217306 [0,2,0,0,0,0|2,0,0]=4 6291 B13R1.450 O=C(CCF)c1cc(cc(c1)I)Br 1458a_100000689235_100011217306 [0,2,0,0,0,0|2,0,0]=4 6292 B13R1.450 O=C(CCF)c1cc(cc(c1)I)Cl 1458a_100012047205_100011217306 [0,2,0,0,0,0|2,0,0]=4 6293 B13R1.450 O=C(CCF)c1cc(cc(c1)I)F 1458a_100012047268_100011217306 [0,2,0,0,0,0|2,0,0]=4 6294 B13R1.450 O=C(CCF)c1cc(cc(c1)I)I 1458a_100011204819_100011217306 [0,2,0,0,0,0|2,0,0]=4 6295 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)Br 1458a_100000687083_100000211926 [0,2,0,0,0,0|2,0,0]=4 6296 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000211926 [0,2,0,0,0,0|2,0,0]=4 6297 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)F 1458a_100000739618_100000211926 [0,2,0,0,0,0|2,0,0]=4 6298 B13R1.450 O=C(CCO)c1cc(cc(c1)Br)O 1458a_100011934545_100000211926 [0,2,0,0,0,0|2,0,0]=4 6299 B13R1.450 O=C(CCO)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000211926 [0,2,0,0,0,0|2,0,0]=4 6300 B13R1.450 O=C(CCO)c1cc(cc(c1)Cl)F 1458a_100000685768_100000211926 [0,2,0,0,0,0|2,0,0]=4 6301 B13R1.450 O=C(CCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100000211926 [0,2,0,0,0,0|2,0,0]=4 6302 B13R1.450 O=C(CCO)c1cc(cc(c1)F)F 1458a_100000211655_100000211926 [0,2,0,0,0,0|2,0,0]=4 6303 B13R1.450 O=C(CCO)c1cc(cc(c1)F)O 1458a_100012017291_100000211926 [0,2,0,0,0,0|2,0,0]=4 6304 B13R1.450 O=C(CCO)c1cc(cc(c1)I)Br 1458a_100000689235_100000211926 [0,2,0,0,0,0|2,0,0]=4 6305 B13R1.450 O=C(CCO)c1cc(cc(c1)I)Cl 1458a_100012047205_100000211926 [0,2,0,0,0,0|2,0,0]=4 6306 B13R1.450 O=C(CCO)c1cc(cc(c1)I)F 1458a_100012047268_100000211926 [0,2,0,0,0,0|2,0,0]=4 6307 B13R1.450 O=C(CCO)c1cc(cc(c1)I)I 1458a_100011204819_100000211926 [0,2,0,0,0,0|2,0,0]=4 6308 B13R1.450 [13CH3]OCC(=O)c1cc(cc(c1)F)F 34a_100012568930_200025704644 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.450 [13CH3]OCC(=O)c1cc(cc(c1)F)F 7a_100012568930_200025704644 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)Cl)Cl 62a_200012340517_200025704644 [0,2,0,0,0,0|2,0,0]=4 6311 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)Cl)Cl 62a_200025704644_200012340517 [0,2,0,0,0,0|2,0,0]=4 6312 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)F)F 62a_100011216790_200025704644 [0,2,0,0,0,0|2,0,0]=4 6313 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)F)F 62a_200025704644_100011216790 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_100010006762_200025704644 [0,2,0,0,0,0|2,0,0]=4 6315 B13R1.450 [13CH3]SCC(=O)c1cc(cc(c1)O)O 62a_200025704644_100010006762 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.460 C#Cc1cccc(c1)C(=O)CCC 1458a_100011997762_100000210303 [0,2,0,0,0,0|1,0,0]=3 6317 B13R1.460 C#Cc1cccc(c1)C(=O)CCF 1458a_100011997762_100011217306 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.460 C#Cc1cccc(c1)C(=O)CCO 1458a_100011997762_100000211926 [0,2,0,0,0,0|2,0,0]=4 6319 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 11a_100015525214_100011997762 [0,2,0,0,0,0|1,0,0]=3 6320 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 240690a_100015525214_100011997762 [0,2,0,0,0,0|1,0,0]=3 6321 B13R1.460 C#Cc1cccc(c1)C(=O)NCC 527a_100015525214_100011997762 [0,2,0,0,0,0|1,0,0]=3 6322 B13R1.460 C#Cc1cccc(c1)C(=O)NNC 22a_100016993582_100011997762 [0,2,0,0,0,0|2,0,0]=4 6323 B13R1.460 C=Cc1cc(ccn1)C(=O)NCC 271570a_100011290941_100000229823 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.460 C=Cc1cc(ccn1)C(=O)OCC 271570a_100011290941_100011213083 [0,2,0,0,0,0|1,0,0]=3 6325 B13R1.460 C=Cc1cc(cnn1)C(=O)OCC 271570a_100011290941_100009853686 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.460 C=Cc1cc(ncn1)C(=O)OCC 271570a_100011290941_100009878719 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.460 C=Cc1cccc(c1)C(=O)CCC 1458a_100011215009_100000210303 [0,2,0,0,0,0|1,0,0]=3 6328 B13R1.460 C=Cc1cccc(c1)C(=O)CCF 1458a_100011215009_100011217306 [0,2,0,0,0,0|2,0,0]=4 6329 B13R1.460 C=Cc1cccc(c1)C(=O)CCO 1458a_100011215009_100000211926 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 11a_100015525214_100011215009 [0,2,0,0,0,0|1,0,0]=3 6331 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 240690a_100015525214_100011215009 [0,2,0,0,0,0|1,0,0]=3 6332 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 271570a_100011290941_100000155180 [0,2,0,0,0,0|1,0,0]=3 6333 B13R1.460 C=Cc1cccc(c1)C(=O)NCC 527a_100015525214_100011215009 [0,2,0,0,0,0|1,0,0]=3 6334 B13R1.460 C=Cc1cccc(c1)C(=O)NNC 22a_100016993582_100011215009 [0,2,0,0,0,0|2,0,0]=4 6335 B13R1.460 C=Cc1cccc(c1)C(=O)OCC 271570a_100011290941_100000170211 [0,2,0,0,0,0|0,0,0]=2 6336 B13R1.460 C=Cc1cccc(n1)C(=O)OCC 271570a_100011290941_100000695914 [0,2,0,0,0,0|1,0,0]=3 6337 B13R1.460 C=Cc1ccnc(c1)C(=O)NCC 271570a_100011290941_100000194128 [0,2,0,0,0,0|2,0,0]=4 6338 B13R1.460 C=Cc1ccnc(c1)C(=O)OCC 271570a_100011290941_100010210110 [0,2,0,0,0,0|1,0,0]=3 6339 B13R1.460 C=Cc1cncc(c1)C(=O)NCC 271570a_100011290941_200000155184 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.460 C=Cc1cncc(c1)C(=O)OCC 271570a_100011290941_100000170250 [0,2,0,0,0,0|1,0,0]=3 6341 B13R1.460 C=Cc1cncc(n1)C(=O)OCC 271570a_100011290941_100012185986 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.460 C=Cc1nccc(n1)C(=O)OCC 271570a_100011290941_100000087789 [0,2,0,0,0,0|2,0,0]=4 6343 B13R1.460 CCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210303 [0,2,0,0,0,0|1,0,0]=3 6344 B13R1.460 CCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210303 [0,2,0,0,0,0|1,0,0]=3 6345 B13R1.460 CCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210303 [0,2,0,0,0,0|1,0,0]=3 6346 B13R1.460 CCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210303 [0,2,0,0,0,0|1,0,0]=3 6347 B13R1.460 CCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210303 [0,2,0,0,0,0|1,0,0]=3 6348 B13R1.460 CCNC(=O)c1cc(ccn1)NC 27a_100102657272_100000194128 [0,2,0,0,0,0|2,0,0]=4 6349 B13R1.460 CCNC(=O)c1cc(ccn1)SC 62a_100000194128_200000210301 [0,2,0,0,0,0|2,0,0]=4 6350 B13R1.460 CCNC(=O)c1cc(ccn1)SC 62a_200000210301_100000194128 [0,2,0,0,0,0|2,0,0]=4 6351 B13R1.460 CCNC(=O)c1cc(ccn1)S[13CH3] 62a_100000194128_200025704644 [0,2,0,0,0,0|2,0,0]=4 6352 B13R1.460 CCNC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000194128 [0,2,0,0,0,0|2,0,0]=4 6353 B13R1.460 CCNC(=O)c1cccc(c1)C#N 11a_100015525214_100000183950 [0,2,0,0,0,0|1,0,0]=3 6354 B13R1.460 CCNC(=O)c1cccc(c1)C#N 240690a_100015525214_100000183950 [0,2,0,0,0,0|1,0,0]=3 6355 B13R1.460 CCNC(=O)c1cccc(c1)C#N 527a_100015525214_100000183950 [0,2,0,0,0,0|1,0,0]=3 6356 B13R1.460 CCNC(=O)c1cccc(c1)CC 11a_100015525214_100011933908 [0,2,0,0,0,0|1,0,0]=3 6357 B13R1.460 CCNC(=O)c1cccc(c1)CC 240690a_100015525214_100011933908 [0,2,0,0,0,0|1,0,0]=3 6358 B13R1.460 CCNC(=O)c1cccc(c1)CC 527a_100015525214_100011933908 [0,2,0,0,0,0|1,0,0]=3 6359 B13R1.460 CCNC(=O)c1cccc(c1)CO 240690a_100015525214_100000746274 [0,2,0,0,0,0|1,0,0]=3 6360 B13R1.460 CCNC(=O)c1cccc(c1)NC 34a_100000181407_200000210301 [0,2,0,0,0,0|1,0,0]=3 6361 B13R1.460 CCNC(=O)c1cccc(c1)NC 7a_100000181407_200000210301 [0,2,0,0,0,0|1,0,0]=3 6362 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 34a_100000181407_200025704644 [0,2,0,0,0,0|1,0,0]=3 6363 B13R1.460 CCNC(=O)c1cccc(c1)N[13CH3] 7a_100000181407_200025704644 [0,2,0,0,0,0|1,0,0]=3 6364 B13R1.460 CCNC(=O)c1cccc(c1)OC 11a_100015525214_100000188888 [0,2,0,0,0,0|1,0,0]=3 6365 B13R1.460 CCNC(=O)c1cccc(c1)OC 240690a_100015525214_100000188888 [0,2,0,0,0,0|1,0,0]=3 6366 B13R1.460 CCNC(=O)c1cccc(c1)OC 527a_100015525214_100000188888 [0,2,0,0,0,0|1,0,0]=3 6367 B13R1.460 CCNC(=O)c1cccc(c1)OC 7a_100000160095_200000210301 [0,2,0,0,0,0|1,0,0]=3 6368 B13R1.460 CCNC(=O)c1cccc(c1)O[13CH3] 7a_100000160095_200025704644 [0,2,0,0,0,0|1,0,0]=3 6369 B13R1.460 CCNC(=O)c1cccc(c1)SC 11a_100015525214_100011217804 [0,2,0,0,0,0|1,0,0]=3 6370 B13R1.460 CCNC(=O)c1cccc(c1)SC 240690a_100015525214_100011217804 [0,2,0,0,0,0|1,0,0]=3 6371 B13R1.460 CCNC(=O)c1cccc(c1)SC 527a_100015525214_100011217804 [0,2,0,0,0,0|1,0,0]=3 6372 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_100000155180_200000210301 [0,2,0,0,0,0|1,0,0]=3 6373 B13R1.460 CCNC(=O)c1cccc(c1)SC 62a_200000210301_100000155180 [0,2,0,0,0,0|1,0,0]=3 6374 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_100000155180_200025704644 [0,2,0,0,0,0|1,0,0]=3 6375 B13R1.460 CCNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155180 [0,2,0,0,0,0|1,0,0]=3 6376 B13R1.460 CCNC(=O)c1ccnc(c1)NC 27a_100102657272_100000229823 [0,2,0,0,0,0|2,0,0]=4 6377 B13R1.460 CCNC(=O)c1ccnc(c1)SC 62a_100000229823_200000210301 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.460 CCNC(=O)c1ccnc(c1)SC 62a_200000210301_100000229823 [0,2,0,0,0,0|2,0,0]=4 6379 B13R1.460 CCNC(=O)c1ccnc(c1)S[13CH3] 62a_100000229823_200025704644 [0,2,0,0,0,0|2,0,0]=4 6380 B13R1.460 CCNC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000229823 [0,2,0,0,0,0|2,0,0]=4 6381 B13R1.460 CCNC(=O)c1cncc(c1)NC 27a_100102657272_200000155184 [0,2,0,0,0,0|2,0,0]=4 6382 B13R1.460 CCNC(=O)c1cncc(c1)SC 62a_200000155184_200000210301 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.460 CCNC(=O)c1cncc(c1)SC 62a_200000210301_200000155184 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.460 CCNC(=O)c1cncc(c1)S[13CH3] 62a_200000155184_200025704644 [0,2,0,0,0,0|2,0,0]=4 6385 B13R1.460 CCNC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_200000155184 [0,2,0,0,0,0|2,0,0]=4 6386 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_100010210110_200000210301 [0,2,0,0,0,0|1,0,0]=3 6387 B13R1.460 CCOC(=O)c1cc(ccn1)SC 62a_200000210301_100010210110 [0,2,0,0,0,0|1,0,0]=3 6388 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_100010210110_200025704644 [0,2,0,0,0,0|1,0,0]=3 6389 B13R1.460 CCOC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100010210110 [0,2,0,0,0,0|1,0,0]=3 6390 B13R1.460 CCOC(=O)c1cc(ncn1)NC 27a_100102657272_100009878719 [0,2,0,0,0,0|2,0,0]=4 6391 B13R1.460 CCOC(=O)c1cc(ncn1)SC 62a_100009878719_200000210301 [0,2,0,0,0,0|2,0,0]=4 6392 B13R1.460 CCOC(=O)c1cc(ncn1)SC 62a_200000210301_100009878719 [0,2,0,0,0,0|2,0,0]=4 6393 B13R1.460 CCOC(=O)c1cc(ncn1)S[13CH3] 62a_100009878719_200025704644 [0,2,0,0,0,0|2,0,0]=4 6394 B13R1.460 CCOC(=O)c1cc(ncn1)S[13CH3] 62a_200025704644_100009878719 [0,2,0,0,0,0|2,0,0]=4 6395 B13R1.460 CCOC(=O)c1cccc(c1)OC 7a_100000169910_200000210301 [0,2,0,0,0,0|0,0,0]=2 6396 B13R1.460 CCOC(=O)c1cccc(c1)O[13CH3] 7a_100000169910_200025704644 [0,2,0,0,0,0|0,0,0]=2 6397 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_100000170211_200000210301 [0,2,0,0,0,0|0,0,0]=2 6398 B13R1.460 CCOC(=O)c1cccc(c1)SC 62a_200000210301_100000170211 [0,2,0,0,0,0|0,0,0]=2 6399 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_100000170211_200025704644 [0,2,0,0,0,0|0,0,0]=2 6400 B13R1.460 CCOC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000170211 [0,2,0,0,0,0|0,0,0]=2 6401 B13R1.460 CCOC(=O)c1cccc(n1)NC 27a_100102657272_100000695914 [0,2,0,0,0,0|1,0,0]=3 6402 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_100000695914_200000210301 [0,2,0,0,0,0|1,0,0]=3 6403 B13R1.460 CCOC(=O)c1cccc(n1)SC 62a_200000210301_100000695914 [0,2,0,0,0,0|1,0,0]=3 6404 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_100000695914_200025704644 [0,2,0,0,0,0|1,0,0]=3 6405 B13R1.460 CCOC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000695914 [0,2,0,0,0,0|1,0,0]=3 6406 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_100012350809_200000210301 [0,2,0,0,0,0|1,0,0]=3 6407 B13R1.460 CCOC(=O)c1ccnc(c1)SC 62a_200000210301_100011213083 [0,2,0,0,0,0|1,0,0]=3 6408 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_100012350809_200025704644 [0,2,0,0,0,0|1,0,0]=3 6409 B13R1.460 CCOC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011213083 [0,2,0,0,0,0|1,0,0]=3 6410 B13R1.460 CCOC(=O)c1ccnc(n1)NC 27a_100102657272_100000087789 [0,2,0,0,0,0|2,0,0]=4 6411 B13R1.460 CCOC(=O)c1ccnc(n1)SC 62a_100000087789_200000210301 [0,2,0,0,0,0|2,0,0]=4 6412 B13R1.460 CCOC(=O)c1ccnc(n1)SC 62a_200000210301_100000087789 [0,2,0,0,0,0|2,0,0]=4 6413 B13R1.460 CCOC(=O)c1ccnc(n1)S[13CH3] 62a_100000087789_200025704644 [0,2,0,0,0,0|2,0,0]=4 6414 B13R1.460 CCOC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100000087789 [0,2,0,0,0,0|2,0,0]=4 6415 B13R1.460 CCOC(=O)c1cncc(c1)OC 7a_100000185702_200000210301 [0,2,0,0,0,0|1,0,0]=3 6416 B13R1.460 CCOC(=O)c1cncc(c1)O[13CH3] 7a_100000185702_200025704644 [0,2,0,0,0,0|1,0,0]=3 6417 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_100000170250_200000210301 [0,2,0,0,0,0|1,0,0]=3 6418 B13R1.460 CCOC(=O)c1cncc(c1)SC 62a_200000210301_100000170250 [0,2,0,0,0,0|1,0,0]=3 6419 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_100000170250_200025704644 [0,2,0,0,0,0|1,0,0]=3 6420 B13R1.460 CCOC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000170250 [0,2,0,0,0,0|1,0,0]=3 6421 B13R1.460 CCOC(=O)c1cncc(n1)NC 27a_100102657272_100012185986 [0,2,0,0,0,0|2,0,0]=4 6422 B13R1.460 CCOC(=O)c1cncc(n1)SC 62a_100012185986_200000210301 [0,2,0,0,0,0|2,0,0]=4 6423 B13R1.460 CCOC(=O)c1cncc(n1)SC 62a_200000210301_100012185986 [0,2,0,0,0,0|2,0,0]=4 6424 B13R1.460 CCOC(=O)c1cncc(n1)S[13CH3] 62a_100012185986_200025704644 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.460 CCOC(=O)c1cncc(n1)S[13CH3] 62a_200025704644_100012185986 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.460 CCOC(=O)c1cnnc(c1)NC 27a_100102657272_100009853686 [0,2,0,0,0,0|2,0,0]=4 6427 B13R1.460 CCOC(=O)c1cnnc(c1)SC 62a_200000210301_100009853686 [0,2,0,0,0,0|2,0,0]=4 6428 B13R1.460 CCOC(=O)c1cnnc(c1)S[13CH3] 62a_200025704644_100009853686 [0,2,0,0,0,0|2,0,0]=4 6429 B13R1.460 CCOC(C)c1cccc(c1)OC 34a_100000246466_100000210202 [0,2,0,0,0,0|1,0,1]=4 6430 B13R1.460 CCOC(C)c1cccc(c1)OC 7a_100000246466_100000210202 [0,2,0,0,0,0|1,0,1]=4 6431 B13R1.460 CCc1cccc(c1)C(=O)CCF 1458a_100011933908_100011217306 [0,2,0,0,0,0|2,0,0]=4 6432 B13R1.460 CCc1cccc(c1)C(=O)CCO 1458a_100011933908_100000211926 [0,2,0,0,0,0|2,0,0]=4 6433 B13R1.460 CCc1cccc(c1)C(=O)NNC 22a_100016993582_100011933908 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.460 CNCC(=O)c1cccc(c1)C#N 2230a_106832991635_100000751541 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.460 CNCC(=O)c1cccc(c1)C#N 34a_100102657272_100000751541 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.460 CNCC(=O)c1cccc(c1)C#N 7a_106832991635_100000751541 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.460 CNCC(=O)c1cccc(c1)OC 34a_100102657272_100000211451 [0,2,0,0,0,0|2,0,0]=4 6438 B13R1.460 CNCC(=O)c1cccc(c1)OC 7a_106832991635_100000211451 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.460 CNNC(=O)c1cccc(c1)C#N 22a_100016993582_100000183950 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.460 CNNC(=O)c1cccc(c1)CO 22a_100016993582_100000746274 [0,2,0,0,0,0|2,0,0]=4 6441 B13R1.460 CNNC(=O)c1cccc(c1)OC 22a_100016993582_100000188888 [0,2,0,0,0,0|2,0,0]=4 6442 B13R1.460 CNNC(=O)c1cccc(c1)SC 22a_100016993582_100011217804 [0,2,0,0,0,0|2,0,0]=4 6443 B13R1.460 COCC(=O)c1cccc(c1)C#N 34a_100138415774_100000751541 [0,2,0,0,0,0|2,0,0]=4 6444 B13R1.460 COCC(=O)c1cccc(c1)OC 34a_100138415774_100000211451 [0,2,0,0,0,0|2,0,0]=4 6445 B13R1.460 COc1cccc(c1)C(=O)CCF 1458a_100000188888_100011217306 [0,2,0,0,0,0|2,0,0]=4 6446 B13R1.460 COc1cccc(c1)C(=O)CCO 1458a_100000188888_100000211926 [0,2,0,0,0,0|2,0,0]=4 6447 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_100000211451_200000210301 [0,2,0,0,0,0|2,0,0]=4 6448 B13R1.460 COc1cccc(c1)C(=O)CSC 62a_200000210301_100000211451 [0,2,0,0,0,0|2,0,0]=4 6449 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_100000211451_200025704644 [0,2,0,0,0,0|2,0,0]=4 6450 B13R1.460 COc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000211451 [0,2,0,0,0,0|2,0,0]=4 6451 B13R1.460 CSCC(=O)c1cccc(c1)C#N 62a_200000210301_100000751541 [0,2,0,0,0,0|2,0,0]=4 6452 B13R1.460 CSc1cccc(c1)C(=O)CCF 1458a_100011217804_100011217306 [0,2,0,0,0,0|2,0,0]=4 6453 B13R1.460 CSc1cccc(c1)C(=O)CCO 1458a_100011217804_100000211926 [0,2,0,0,0,0|2,0,0]=4 6454 B13R1.460 N#Cc1cccc(c1)C(=O)CCF 1458a_100000183950_100011217306 [0,2,0,0,0,0|2,0,0]=4 6455 B13R1.460 N#Cc1cccc(c1)C(=O)CCO 1458a_100000183950_100000211926 [0,2,0,0,0,0|2,0,0]=4 6456 B13R1.460 O=C(CCF)c1cccc(c1)CO 1458a_100000746274_100011217306 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.460 O=C(CCO)c1cccc(c1)CO 1458a_100000746274_100000211926 [0,2,0,0,0,0|2,0,0]=4 6458 B13R1.460 [13CH3]SCC(=O)c1cccc(c1)C#N 62a_200025704644_100000751541 [0,2,0,0,0,0|2,0,0]=4 6459 B13R1.11 C#CC(C)NC(=O)c1ccccc1 11a_100000707721_100000185807 [0,2,0,0,0,0|1,0,0]=3 6460 B13R1.11 C#CC(C)NC(=O)c1ccccc1 1626a_100000707721_100000185807 [0,2,0,0,0,0|1,0,0]=3 6461 B13R1.11 C#CC(C)NC(=O)c1ccccc1 240690a_100000707721_100000185807 [0,2,0,0,0,0|1,0,0]=3 6462 B13R1.11 C#CC(C)NC(=O)c1ccccc1 527a_100000707721_100000185807 [0,2,0,0,0,0|1,0,0]=3 6463 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,2,0,0,0,0|1,0,1]=4 6464 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,2,0,0,0,0|1,0,1]=4 6465 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,2,0,0,0,0|1,0,1]=4 6466 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,2,0,0,0,0|1,0,1]=4 6467 B13R1.11 CC(C#N)NC(=O)c1ccccc1 11a_100000737613_100000185807 [0,2,0,0,0,0|1,0,0]=3 6468 B13R1.11 CC(C#N)NC(=O)c1ccccc1 1626a_100000737613_100000185807 [0,2,0,0,0,0|1,0,0]=3 6469 B13R1.11 CC(C#N)NC(=O)c1ccccc1 527a_100000737613_100000185807 [0,2,0,0,0,0|1,0,0]=3 6470 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,2,0,0,0,0|1,0,1]=4 6471 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,2,0,0,0,0|1,0,1]=4 6472 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,2,0,0,0,0|1,0,1]=4 6473 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,2,0,0,0,0|1,0,1]=4 6474 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,2,0,0,0,0|1,0,1]=4 6475 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,2,0,0,0,0|1,0,1]=4 6476 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,2,0,0,0,0|1,0,1]=4 6477 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,2,0,0,0,0|1,0,0]=3 6479 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,2,0,0,0,0|1,0,0]=3 6480 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,2,0,0,0,0|2,0,0]=4 6481 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [0,2,0,0,0,0|2,0,0]=4 6482 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [0,2,0,0,0,0|2,0,0]=4 6483 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,2,0,0,0,0|1,0,0]=3 6484 B13R1.11 CCC(C)NC(=O)c1ccccc1 11a_100000209981_100000185807 [0,2,0,0,0,0|1,0,0]=3 6485 B13R1.11 CCC(C)NC(=O)c1ccccc1 1626a_100000209981_100000185807 [0,2,0,0,0,0|1,0,0]=3 6486 B13R1.11 CCC(C)NC(=O)c1ccccc1 240690a_100000209981_100000185807 [0,2,0,0,0,0|1,0,0]=3 6487 B13R1.11 CCC(C)NC(=O)c1ccccc1 527a_100000209981_100000185807 [0,2,0,0,0,0|1,0,0]=3 6488 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,2,0,0,0,0|1,0,1]=4 6489 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,2,0,0,0,0|1,0,1]=4 6490 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,2,0,0,0,0|1,0,1]=4 6491 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,2,0,0,0,0|1,0,0]=3 6492 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [0,2,0,0,0,0|1,0,0]=3 6493 B13R1.11 CCN(C)CC(=O)c1ccccn1 269982a_100000225621_100000027445 [0,2,0,0,0,0|2,0,0]=4 6494 B13R1.11 CCN(C)CC(=O)c1cccnc1 269982a_100000225621_100000757877 [0,2,0,0,0,0|2,0,0]=4 6495 B13R1.11 CCN(C)CC(=O)c1ccncc1 269982a_100000225621_100000027454 [0,2,0,0,0,0|2,0,0]=4 6496 B13R1.11 CCN(C)CS(=O)c1ccccc1 269982a_100000225621_100000031784 [0,2,0,0,0,0|2,0,0]=4 6497 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,2,0,0,0,0|1,0,0]=3 6498 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,2,0,0,0,0|1,0,1]=4 6499 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,2,0,0,0,0|1,0,1]=4 6500 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,2,0,0,0,0|1,0,0]=3 6501 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 11a_100102880703_100000185807 [0,2,0,0,0,0|1,0,0]=3 6502 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 1626a_100102880703_100000185807 [0,2,0,0,0,0|1,0,0]=3 6503 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 240690a_100102880703_100000185807 [0,2,0,0,0,0|1,0,0]=3 6504 B13R1.11 C[C@H](CF)NC(=O)c1ccccc1 527a_100102880703_100000185807 [0,2,0,0,0,0|1,0,0]=3 6505 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [0,2,0,0,0,0|1,0,0]=3 6506 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [0,2,0,0,0,0|1,0,0]=3 6507 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,2,0,0,0,0|1,0,1]=4 6508 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [0,2,0,0,0,0|1,0,0]=3 6509 B13R1.24 C#CCCNC(=O)c1ccccc1 11a_100000755551_100000185807 [0,2,0,0,0,0|1,0,0]=3 6510 B13R1.24 C#CCCNC(=O)c1ccccc1 1626a_100000755551_100000185807 [0,2,0,0,0,0|1,0,0]=3 6511 B13R1.24 C#CCCNC(=O)c1ccccc1 240690a_100000755551_100000185807 [0,2,0,0,0,0|1,0,0]=3 6512 B13R1.24 C#CCCNC(=O)c1ccccc1 527a_100000755551_100000185807 [0,2,0,0,0,0|1,0,0]=3 6513 B13R1.24 C#CCCOC(C)c1ccccc1 34a_100011215631_100000211855 [0,2,0,0,0,0|1,0,1]=4 6514 B13R1.24 C#CCCO[C@H](C)c1ccccc1 34a_100000761318_100000688953 [0,2,0,0,0,0|1,0,1]=4 6515 B13R1.24 C#CCCO[C@H](C)c1ccccc1 7a_100000761318_100000688953 [0,2,0,0,0,0|1,0,1]=4 6516 B13R1.24 C#CCOCC(=O)c1ccccn1 34a_100000210247_100000027445 [0,2,0,0,0,0|1,0,1]=4 6517 B13R1.24 C#CCSCC(=O)c1ccccc1 62a_100000038162_100000211460 [0,2,0,0,0,0|0,1,1]=4 6518 B13R1.24 C/C=C/COC(C)c1ccccc1 34a_100016270725_100000211855 [0,2,0,0,0,0|1,0,1]=4 6519 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 34a_100000761318_100102629194 [0,2,0,0,0,0|1,0,1]=4 6520 B13R1.24 C/C=C/CO[C@H](C)c1ccccc1 7a_100000761318_100102629194 [0,2,0,0,0,0|1,0,1]=4 6521 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [0,2,0,0,0,0|1,0,0]=3 6522 B13R1.24 C=CCCNC(=O)c1ccccc1 11a_100015191253_100000185807 [0,2,0,0,0,0|1,0,0]=3 6523 B13R1.24 C=CCCNC(=O)c1ccccc1 1626a_100015191253_100000185807 [0,2,0,0,0,0|1,0,0]=3 6524 B13R1.24 C=CCCNC(=O)c1ccccc1 240690a_100015191253_100000185807 [0,2,0,0,0,0|1,0,0]=3 6525 B13R1.24 C=CCCNC(=O)c1ccccc1 527a_100015191253_100000185807 [0,2,0,0,0,0|1,0,0]=3 6526 B13R1.24 C=CCCOC(C)c1ccccc1 34a_100011205117_100000211855 [0,2,0,0,0,0|1,0,1]=4 6527 B13R1.24 C=CCCO[C@H](C)c1ccccc1 34a_100000761318_100000754431 [0,2,0,0,0,0|1,0,1]=4 6528 B13R1.24 C=CCCO[C@H](C)c1ccccc1 7a_100000761318_100000754431 [0,2,0,0,0,0|1,0,1]=4 6529 B13R1.24 C=CCNNC(=O)c1ccccc1 22a_100020588587_100000185807 [0,2,0,0,0,0|1,0,1]=4 6530 B13R1.24 C=CCOCC(=O)c1ccccn1 34a_200000210373_100000027445 [0,2,0,0,0,0|1,0,1]=4 6531 B13R1.24 C=CCSCC(=O)c1ccccc1 62a_100000210623_100000211460 [0,2,0,0,0,0|0,1,1]=4 6532 B13R1.24 C=CCSCC(=O)c1ccccc1 62a_100000211460_100000210623 [0,2,0,0,0,0|0,1,1]=4 6533 B13R1.24 C=COCCC(=O)c1ccccc1 1458a_100000185807_100000039644 [0,2,0,0,0,0|0,0,2]=4 6534 B13R1.24 CC#CCNC(=O)c1ccccc1 11a_100000685387_100000185807 [0,2,0,0,0,0|1,0,0]=3 6535 B13R1.24 CC#CCNC(=O)c1ccccc1 1626a_100000685387_100000185807 [0,2,0,0,0,0|1,0,0]=3 6536 B13R1.24 CC#CCNC(=O)c1ccccc1 527a_100000685387_100000185807 [0,2,0,0,0,0|1,0,0]=3 6537 B13R1.24 CC#CCOC(C)c1ccccc1 34a_100000761923_100000211855 [0,2,0,0,0,0|1,0,1]=4 6538 B13R1.24 CC#CCO[C@H](C)c1ccccc1 34a_100000761318_100000748600 [0,2,0,0,0,0|1,0,1]=4 6539 B13R1.24 CC#CCO[C@H](C)c1ccccc1 7a_100000761318_100000748600 [0,2,0,0,0,0|1,0,1]=4 6540 B13R1.24 CC(=NNCCO)c1ccccc1 4a_100000210001_100000185851 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.24 CC(COCCBr)c1ccccc1 34a_100000211926_100000756946 [0,2,0,0,0,0|1,0,1]=4 6542 B13R1.24 CC(COCCF)c1ccccc1 34a_100011215166_100011217306 [0,2,0,0,0,0|1,0,1]=4 6543 B13R1.24 CC(COCCF)c1ccccc1 7a_100011215166_100011217306 [0,2,0,0,0,0|1,0,1]=4 6544 B13R1.24 CC(COCCN)c1ccccc1 34a_100000210304_100000756946 [0,2,0,0,0,0|1,0,1]=4 6545 B13R1.24 CC(COCCO)c1ccccc1 34a_100011215166_100000211926 [0,2,0,0,0,0|1,0,1]=4 6546 B13R1.24 CC(COCCO)c1ccccc1 7a_100011215166_100000211926 [0,2,0,0,0,0|1,0,1]=4 6547 B13R1.24 CC(OCCCBr)c1ccccc1 34a_100011217188_100000211855 [0,2,0,0,0,0|1,0,1]=4 6548 B13R1.24 CC(OCCCCl)c1ccccc1 34a_100000230001_100000211855 [0,2,0,0,0,0|1,0,1]=4 6549 B13R1.24 CC(OCCCF)c1ccccc1 34a_100000759539_100000211855 [0,2,0,0,0,0|1,0,1]=4 6550 B13R1.24 CC(OCCCN)c1ccccc1 34a_100000182051_100000211855 [0,2,0,0,0,0|1,0,1]=4 6551 B13R1.24 CC(OCCON)c1ccccc1 34a_100000700252_100000211855 [0,2,0,0,0,0|1,0,1]=4 6552 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [0,2,0,0,0,0|1,0,0]=3 6553 B13R1.24 CC=CCO[C@H](C)c1ccccc1 34a_100000761318_100000070051 [0,2,0,0,0,0|1,0,1]=4 6554 B13R1.24 CC=CCO[C@H](C)c1ccccc1 7a_100000761318_100000070051 [0,2,0,0,0,0|1,0,1]=4 6555 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [0,2,0,0,0,0|1,0,0]=3 6556 B13R1.24 CCC=NNC(=O)c1ccccc1 4a_100000184135_100000210100 [0,2,0,0,0,0|1,0,0]=3 6557 B13R1.24 CCC=NNC(=O)c1ccccn1 4a_100000184044_100000210100 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.24 CCC=NNC(=O)c1cccnc1 4a_100000189771_100000210100 [0,2,0,0,0,0|2,0,0]=4 6559 B13R1.24 CCC=NNC(=O)c1ccncc1 4a_100000189768_100000210100 [0,2,0,0,0,0|2,0,0]=4 6560 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [0,2,0,0,0,0|1,0,0]=3 6561 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [0,2,0,0,0,0|1,0,0]=3 6562 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [0,2,0,0,0,0|1,0,0]=3 6563 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [0,2,0,0,0,0|1,0,0]=3 6564 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [0,2,0,0,0,0|1,0,0]=3 6565 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [0,2,0,0,0,0|1,0,1]=4 6566 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [0,2,0,0,0,0|1,0,1]=4 6567 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [0,2,0,0,0,0|1,0,1]=4 6568 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [0,2,0,0,0,0|1,0,1]=4 6569 B13R1.24 CCCNN=C(C)c1ccccc1 4a_100000740057_100000185851 [0,2,0,0,0,0|2,0,0]=4 6570 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [0,2,0,0,0,0|1,0,0]=3 6571 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [0,2,0,0,0,0|1,0,0]=3 6572 B13R1.24 CCCOCC(C)c1ccccc1 34a_100000210258_100000756946 [0,2,0,0,0,0|1,0,1]=4 6573 B13R1.24 CCCOCC(C)c1ccccc1 34a_100011215166_100000210303 [0,2,0,0,0,0|1,0,1]=4 6574 B13R1.24 CCCOCC(C)c1ccccc1 7a_100011215166_100000210303 [0,2,0,0,0,0|1,0,1]=4 6575 B13R1.24 CCCOCC(O)c1ccccc1 34a_100000210258_100000185958 [0,2,0,0,0,0|0,0,2]=4 6576 B13R1.24 CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210303 [0,2,0,0,0,0|1,0,1]=4 6577 B13R1.24 CCCOC[C@@H](O)c1ccccc1 34a_100000210258_100011933945 [0,2,0,0,0,0|0,0,2]=4 6578 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [0,2,0,0,0,0|0,1,0]=3 6579 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [0,2,0,0,0,0|0,1,0]=3 6580 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [0,2,0,0,0,0|1,1,0]=4 6581 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [0,2,0,0,0,0|1,1,0]=4 6582 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [0,2,0,0,0,0|1,1,0]=4 6583 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [0,2,0,0,0,0|1,1,0]=4 6584 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [0,2,0,0,0,0|1,1,0]=4 6585 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [0,2,0,0,0,0|1,1,0]=4 6586 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [0,2,0,0,0,0|1,1,0]=4 6587 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [0,2,0,0,0,0|1,0,0]=3 6588 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [0,2,0,0,0,0|2,0,0]=4 6589 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [0,2,0,0,0,0|0,0,0]=2 6590 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 6591 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [0,2,0,0,0,0|2,0,0]=4 6592 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [0,2,0,0,0,0|2,0,0]=4 6593 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [0,2,0,0,0,0|0,0,2]=4 6594 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [0,2,0,0,0,0|1,0,1]=4 6595 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000230085_100000739092 [0,2,0,0,0,0|1,0,1]=4 6596 B13R1.24 CCOCSC(C)c1ccccc1 62a_100000739092_100000230085 [0,2,0,0,0,0|1,0,1]=4 6597 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [0,2,0,0,0,0|0,1,0]=3 6598 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [0,2,0,0,0,0|0,1,0]=3 6599 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [0,2,0,0,0,0|0,1,0]=3 6600 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [0,2,0,0,0,0|1,1,0]=4 6601 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [0,2,0,0,0,0|0,0,0]=2 6602 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [0,2,0,0,0,0|0,0,0]=2 6603 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [0,2,0,0,0,0|1,0,0]=3 6604 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [0,2,0,0,0,0|1,0,0]=3 6605 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [0,2,0,0,0,0|1,0,0]=3 6606 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [0,2,0,0,0,0|1,0,0]=3 6607 B13R1.24 CNCCNC(=O)c1ccncc1 2230a_200011198449_200000210301 [0,2,0,0,0,0|2,0,0]=4 6608 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [0,2,0,0,0,0|0,0,0]=2 6609 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [0,2,0,0,0,0|0,0,0]=2 6610 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [0,2,0,0,0,0|1,0,0]=3 6611 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [0,2,0,0,0,0|1,0,0]=3 6612 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [0,2,0,0,0,0|1,0,0]=3 6613 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [0,2,0,0,0,0|1,0,0]=3 6614 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [0,2,0,0,0,0|1,0,0]=3 6615 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [0,2,0,0,0,0|1,0,0]=3 6616 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [0,2,0,0,0,0|0,0,0]=2 6617 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [0,2,0,0,0,0|0,0,0]=2 6618 B13R1.24 COCCOC(C)c1ccccc1 34a_100000210237_100000211855 [0,2,0,0,0,0|1,0,1]=4 6619 B13R1.24 COCCO[C@H](C)c1ccccc1 34a_100000761318_100011201679 [0,2,0,0,0,0|1,0,1]=4 6620 B13R1.24 COCCO[C@H](C)c1ccccc1 7a_100000761318_100000233755 [0,2,0,0,0,0|1,0,1]=4 6621 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [0,2,0,0,0,0|0,1,0]=3 6622 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [0,2,0,0,0,0|0,1,0]=3 6623 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000027445_100000766300 [0,2,0,0,0,0|1,1,0]=4 6624 B13R1.24 COCSCC(=O)c1ccccn1 62a_100000766300_100000027445 [0,2,0,0,0,0|1,1,0]=4 6625 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000757877_100000766300 [0,2,0,0,0,0|1,1,0]=4 6626 B13R1.24 COCSCC(=O)c1cccnc1 62a_100000766300_100000757877 [0,2,0,0,0,0|1,1,0]=4 6627 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000027454_100000766300 [0,2,0,0,0,0|1,1,0]=4 6628 B13R1.24 COCSCC(=O)c1ccncc1 62a_100000766300_100000027454 [0,2,0,0,0,0|1,1,0]=4 6629 B13R1.24 COCSCS(=O)c1ccccc1 62a_100000766300_100000031784 [0,2,0,0,0,0|1,1,0]=4 6630 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [0,2,0,0,0,0|1,0,0]=3 6631 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [0,2,0,0,0,0|1,0,0]=3 6632 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [0,2,0,0,0,0|1,0,0]=3 6633 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [0,2,0,0,0,0|1,0,0]=3 6634 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [0,2,0,0,0,0|1,0,0]=3 6635 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [0,2,0,0,0,0|1,0,0]=3 6636 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [0,2,0,0,0,0|1,0,0]=3 6637 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [0,2,0,0,0,0|1,0,0]=3 6638 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [0,2,0,0,0,0|0,0,0]=2 6639 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [0,2,0,0,0,0|0,0,0]=2 6640 B13R1.24 CSCCOC(C)c1ccccc1 34a_100000230434_100000211855 [0,2,0,0,0,0|1,0,1]=4 6641 B13R1.24 CSCCOC(C)c1ccccc1 7a_100000230434_100000230085 [0,2,0,0,0,0|1,0,1]=4 6642 B13R1.24 CSCCO[C@H](C)c1ccccc1 34a_100000761318_100000212216 [0,2,0,0,0,0|1,0,1]=4 6643 B13R1.24 CSCCO[C@H](C)c1ccccc1 7a_100000761318_100000212216 [0,2,0,0,0,0|1,0,1]=4 6644 B13R1.24 CSCOCC(C)c1ccccc1 34a_100011215166_100011218213 [0,2,0,0,0,0|1,0,1]=4 6645 B13R1.24 CSCOC[C@@H](N)c1ccccc1 34a_100000751927_100011218213 [0,2,0,0,0,0|1,0,1]=4 6646 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [0,2,0,0,0,0|0,1,0]=3 6647 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [0,2,0,0,0,0|0,1,0]=3 6648 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100000027445_100011218213 [0,2,0,0,0,0|1,1,0]=4 6649 B13R1.24 CSCSCC(=O)c1ccccn1 62a_100011218213_100000027445 [0,2,0,0,0,0|1,1,0]=4 6650 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100000757877_100011218213 [0,2,0,0,0,0|1,1,0]=4 6651 B13R1.24 CSCSCC(=O)c1cccnc1 62a_100011218213_100000757877 [0,2,0,0,0,0|1,1,0]=4 6652 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100000027454_100011218213 [0,2,0,0,0,0|1,1,0]=4 6653 B13R1.24 CSCSCC(=O)c1ccncc1 62a_100011218213_100000027454 [0,2,0,0,0,0|1,1,0]=4 6654 B13R1.24 CSCSCS(=O)c1ccccc1 62a_100011218213_100000031784 [0,2,0,0,0,0|1,1,0]=4 6655 B13R1.24 C[C@@H](OCCC#N)c1ccccc1 7a_100000761318_100000184422 [0,2,0,0,0,0|1,0,1]=4 6656 B13R1.24 C[C@@H](OCCCF)c1ccccc1 34a_100000761318_100011934791 [0,2,0,0,0,0|1,0,1]=4 6657 B13R1.24 C[C@@H](OCCCF)c1ccccc1 7a_100000761318_100011934791 [0,2,0,0,0,0|1,0,1]=4 6658 B13R1.24 C[C@@H](OCCCO)c1ccccc1 34a_100000761318_100000230001 [0,2,0,0,0,0|1,0,1]=4 6659 B13R1.24 C[C@@H](OCCCO)c1ccccc1 7a_100000761318_100011215043 [0,2,0,0,0,0|1,0,1]=4 6660 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [0,2,0,0,0,0|1,0,0]=3 6661 B13R1.24 N#CCCNC(=O)c1ccccc1 11a_100000720768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6662 B13R1.24 N#CCCNC(=O)c1ccccc1 1626a_100000720768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6663 B13R1.24 N#CCCNC(=O)c1ccccc1 240690a_100000720768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6664 B13R1.24 N#CCCNC(=O)c1ccccc1 527a_100000720768_100000185807 [0,2,0,0,0,0|1,0,0]=3 6665 B13R1.24 N#CCSCC(=O)c1ccccc1 62a_100000211460_100011215382 [0,2,0,0,0,0|0,1,1]=4 6666 B13R1.24 N#CCSCC(=O)c1ccccc1 62a_100011215382_100000211460 [0,2,0,0,0,0|0,1,1]=4 6667 B13R1.24 NCCOCC(=O)c1ccccn1 34a_100000210304_100000027445 [0,2,0,0,0,0|1,0,0]=3 6668 B13R1.24 NCCOCC(O)c1ccccc1 34a_100000210304_100000185958 [0,2,0,0,0,0|0,0,2]=4 6669 B13R1.24 NCCOC[C@@H](O)c1ccccc1 34a_100000210304_100011933945 [0,2,0,0,0,0|0,0,2]=4 6670 B13R1.24 N[C@H](COCCF)c1ccccc1 34a_100000751927_100011217306 [0,2,0,0,0,0|1,0,1]=4 6671 B13R1.24 N[C@H](COCCO)c1ccccc1 34a_100000751927_100000211926 [0,2,0,0,0,0|1,0,1]=4 6672 B13R1.24 O=C(CC#CCO)c1ccccc1 1458a_100000185807_200000047223 [0,2,0,0,0,0|1,0,1]=4 6673 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [0,2,0,0,0,0|1,0,0]=3 6674 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [0,2,0,0,0,0|1,0,0]=3 6675 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [0,2,0,0,0,0|1,0,0]=3 6676 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [0,2,0,0,0,0|1,0,0]=3 6677 B13R1.24 O=C(CNCCF)c1ccccn1 34a_100000724931_100000027445 [0,2,0,0,0,0|2,0,0]=4 6678 B13R1.24 O=C(CNCCO)c1ccccn1 34a_100016990907_100000027445 [0,2,0,0,0,0|2,0,0]=4 6679 B13R1.24 O=C(COCCBr)c1ccccn1 34a_100000211926_100000027445 [0,2,0,0,0,0|1,0,0]=3 6680 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [0,2,0,0,0,0|0,1,0]=3 6681 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [0,2,0,0,0,0|0,1,0]=3 6682 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100000027445_100011217306 [0,2,0,0,0,0|1,1,0]=4 6683 B13R1.24 O=C(CSCCF)c1ccccn1 62a_100011217306_100000027445 [0,2,0,0,0,0|1,1,0]=4 6684 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100000757877_100011217306 [0,2,0,0,0,0|1,1,0]=4 6685 B13R1.24 O=C(CSCCF)c1cccnc1 62a_100011217306_100000757877 [0,2,0,0,0,0|1,1,0]=4 6686 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100000027454_100011217306 [0,2,0,0,0,0|1,1,0]=4 6687 B13R1.24 O=C(CSCCF)c1ccncc1 62a_100011217306_100000027454 [0,2,0,0,0,0|1,1,0]=4 6688 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [0,2,0,0,0,0|0,1,0]=3 6689 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [0,2,0,0,0,0|0,1,0]=3 6690 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000027445_100000211926 [0,2,0,0,0,0|1,1,0]=4 6691 B13R1.24 O=C(CSCCO)c1ccccn1 62a_100000211926_100000027445 [0,2,0,0,0,0|1,1,0]=4 6692 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000211926_100000757877 [0,2,0,0,0,0|1,1,0]=4 6693 B13R1.24 O=C(CSCCO)c1cccnc1 62a_100000757877_100000211926 [0,2,0,0,0,0|1,1,0]=4 6694 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000027454_100000211926 [0,2,0,0,0,0|1,1,0]=4 6695 B13R1.24 O=C(CSCCO)c1ccncc1 62a_100000211926_100000027454 [0,2,0,0,0,0|1,1,0]=4 6696 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [0,2,0,0,0,0|1,0,0]=3 6697 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [0,2,0,0,0,0|1,0,0]=3 6698 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [0,2,0,0,0,0|1,0,0]=3 6699 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [0,2,0,0,0,0|1,0,0]=3 6700 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [0,2,0,0,0,0|1,0,0]=3 6701 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [0,2,0,0,0,0|1,0,0]=3 6702 B13R1.24 O=C(NNCCO)c1ccccc1 22a_100000210001_100000185807 [0,2,0,0,0,0|1,0,0]=3 6703 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100000073877_100015361967 [0,2,0,0,0,0|0,0,0]=2 6704 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100015361967_100000073877 [0,2,0,0,0,0|0,0,0]=2 6705 B13R1.24 O=CCSCC(=O)c1ccccc1 62a_100000211460_200015260668 [0,2,0,0,0,0|0,1,1]=4 6706 B13R1.24 O=CCSCC(=O)c1ccccc1 62a_200015260668_100000211460 [0,2,0,0,0,0|0,1,1]=4 6707 B13R1.24 O=S(CCSCF)c1ccccc1 62a_100015361967_100000740319 [0,2,0,0,0,0|2,0,0]=4 6708 B13R1.24 O=S(CSCCF)c1ccccc1 62a_100011217306_100000031784 [0,2,0,0,0,0|1,1,0]=4 6709 B13R1.24 O=S(CSCCO)c1ccccc1 62a_100000211926_100000031784 [0,2,0,0,0,0|1,1,0]=4 6710 B13R1.24 OC(COCCBr)c1ccccc1 34a_100000211926_100000185958 [0,2,0,0,0,0|0,0,2]=4 6711 B13R1.24 O[C@H](COCCBr)c1ccccc1 34a_100000211926_100011933945 [0,2,0,0,0,0|0,0,2]=4 6712 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [0,2,0,0,0,0|1,0,0]=3 6713 B13R1.24 [13CH3]NCCNC(=O)c1ccncc1 2230a_200011198449_200025704644 [0,2,0,0,0,0|2,0,0]=4 6714 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [0,2,0,0,0,0|1,0,0]=3 6715 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [0,2,0,0,0,0|1,0,0]=3 6716 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [0,2,0,0,0,0|0,0,0]=2 6717 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [0,2,0,0,0,0|1,0,0]=3 6718 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [0,2,0,0,0,0|1,0,0]=3 6719 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [0,2,0,0,0,0|1,0,0]=3 6720 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [0,2,0,0,0,0|1,0,0]=3 6721 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [0,2,0,0,0,0|0,0,0]=2 6722 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [0,2,0,0,0,0|0,0,0]=2 6723 B13R1.45 C=C(C)CCC(=O)c1ccccc1 1458a_100000185807_100000730704 [0,2,0,0,0,0|1,0,0]=3 6724 B13R1.45 C=C(C)CNC(=O)c1ccccc1 11a_100000765925_100000185807 [0,2,0,0,0,0|1,0,0]=3 6725 B13R1.45 C=C(C)CNC(=O)c1ccccc1 1626a_100000765925_100000185807 [0,2,0,0,0,0|1,0,0]=3 6726 B13R1.45 C=C(C)CNC(=O)c1ccccc1 240690a_100000765925_100000185807 [0,2,0,0,0,0|1,0,0]=3 6727 B13R1.45 C=C(C)CNC(=O)c1ccccc1 527a_100000765925_100000185807 [0,2,0,0,0,0|1,0,0]=3 6728 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,2,0,0,0,0|1,0,1]=4 6729 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,2,0,0,0,0|1,0,1]=4 6730 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,2,0,0,0,0|1,0,1]=4 6731 B13R1.45 CC(=CCC(=O)c1ccccc1)C 1458a_100000185807_100000761012 [0,2,0,0,0,0|1,0,1]=4 6732 B13R1.45 CC(=NNC(C)C)c1ccccc1 4a_100000741168_100000185851 [0,2,0,0,0,0|2,0,0]=4 6733 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,2,0,0,0,0|1,0,0]=3 6734 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,2,0,0,0,0|1,0,0]=3 6735 B13R1.45 CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_200000210301 [0,2,0,0,0,0|2,0,0]=4 6736 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,2,0,0,0,0|0,0,0]=2 6737 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,2,0,0,0,0|1,0,1]=4 6738 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,2,0,0,0,0|0,2,0]=4 6739 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000070787 [0,2,0,0,0,0|1,0,1]=4 6740 B13R1.45 CC(=O)NNC(=O)c1ccccc1 22a_100000189765_100000185807 [0,2,0,0,0,0|1,0,1]=4 6741 B13R1.45 CC(Br)COC(C)c1ccccc1 34a_100012180447_100000211855 [0,2,0,0,0,0|1,0,1]=4 6742 B13R1.45 CC(C)CCC(=O)c1ccccc1 1458a_100000185807_100000210312 [0,2,0,0,0,0|1,0,0]=3 6743 B13R1.45 CC(C)CNC(=O)c1ccccc1 11a_100000210953_100000185807 [0,2,0,0,0,0|1,0,0]=3 6744 B13R1.45 CC(C)CNC(=O)c1ccccc1 1626a_100000210953_100000185807 [0,2,0,0,0,0|1,0,0]=3 6745 B13R1.45 CC(C)CNC(=O)c1ccccc1 240690a_100000210953_100000185807 [0,2,0,0,0,0|1,0,0]=3 6746 B13R1.45 CC(C)CNC(=O)c1ccccc1 527a_100000210953_100000185807 [0,2,0,0,0,0|1,0,0]=3 6747 B13R1.45 CC(C)COC(C)c1ccccc1 34a_100000210257_100000211855 [0,2,0,0,0,0|1,0,1]=4 6748 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000210624 [0,2,0,0,0,0|1,0,1]=4 6749 B13R1.45 CC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000210760 [0,2,0,0,0,0|1,0,1]=4 6750 B13R1.45 CC(C)NCC(=O)c1ccccn1 34a_100138425928_100000027445 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.45 CC(C)NNC(=O)c1ccccc1 22a_100000741168_100000185807 [0,2,0,0,0,0|1,0,0]=3 6752 B13R1.45 CC(C)OCC(=O)c1ccccn1 34a_100000212225_100000027445 [0,2,0,0,0,0|1,0,0]=3 6753 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100000212225_100000756946 [0,2,0,0,0,0|1,0,1]=4 6754 B13R1.45 CC(C)OCC(C)c1ccccc1 34a_100011215166_100000210206 [0,2,0,0,0,0|1,0,1]=4 6755 B13R1.45 CC(C)OCC(C)c1ccccc1 7a_100011215166_100000210206 [0,2,0,0,0,0|1,0,1]=4 6756 B13R1.45 CC(C)OCC(O)c1ccccc1 34a_100000212225_100000185958 [0,2,0,0,0,0|0,0,2]=4 6757 B13R1.45 CC(C)OCN(C)c1ccccc1 2230a_100000210012_100000709892 [0,2,0,0,0,0|2,0,0]=4 6758 B13R1.45 CC(C)OCN(C)c1ccccc1 269982a_100000210012_100000709892 [0,2,0,0,0,0|2,0,0]=4 6759 B13R1.45 CC(C)OCN(C)c1ccccc1 34a_100000210012_100000709892 [0,2,0,0,0,0|2,0,0]=4 6760 B13R1.45 CC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000210206 [0,2,0,0,0,0|1,0,1]=4 6761 B13R1.45 CC(C)OC[C@@H](O)c1ccccc1 34a_100000212225_100011933945 [0,2,0,0,0,0|0,0,2]=4 6762 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000210206_100000211460 [0,2,0,0,0,0|0,1,0]=3 6763 B13R1.45 CC(C)SCC(=O)c1ccccc1 62a_100000211460_100000210206 [0,2,0,0,0,0|0,1,0]=3 6764 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000027445_100000210206 [0,2,0,0,0,0|1,1,0]=4 6765 B13R1.45 CC(C)SCC(=O)c1ccccn1 62a_100000210206_100000027445 [0,2,0,0,0,0|1,1,0]=4 6766 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000210206_100000757877 [0,2,0,0,0,0|1,1,0]=4 6767 B13R1.45 CC(C)SCC(=O)c1cccnc1 62a_100000757877_100000210206 [0,2,0,0,0,0|1,1,0]=4 6768 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000027454_100000210206 [0,2,0,0,0,0|1,1,0]=4 6769 B13R1.45 CC(C)SCC(=O)c1ccncc1 62a_100000210206_100000027454 [0,2,0,0,0,0|1,1,0]=4 6770 B13R1.45 CC(C)SCS(=O)c1ccccc1 62a_100000210206_100000031784 [0,2,0,0,0,0|1,1,0]=4 6771 B13R1.45 CC(F)COC(C)c1ccccc1 34a_100015925927_100000211855 [0,2,0,0,0,0|1,0,1]=4 6772 B13R1.45 CC(O)CCC(=O)c1ccccc1 1458a_100000185807_100012276601 [0,2,0,0,0,0|1,0,0]=3 6773 B13R1.45 CC(O)CNC(=O)c1ccccc1 11a_100000210904_100000185807 [0,2,0,0,0,0|1,0,0]=3 6774 B13R1.45 CC(O)CNC(=O)c1ccccc1 240690a_100000210904_100000185807 [0,2,0,0,0,0|1,0,0]=3 6775 B13R1.45 CC(O)CNC(=O)c1ccccc1 527a_100000210904_100000185807 [0,2,0,0,0,0|1,0,0]=3 6776 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,2,0,0,0,0|1,0,1]=4 6777 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,2,0,0,0,0|1,0,1]=4 6778 B13R1.45 CC(OCC(F)F)c1ccccc1 34a_100000743014_100000211855 [0,2,0,0,0,0|1,0,1]=4 6779 B13R1.45 CC(OC[C@@H](C)Cl)c1ccccc1 34a_100016084084_100000211855 [0,2,0,0,0,0|1,0,1]=4 6780 B13R1.45 CC(OC[C@@H](C)N)c1ccccc1 34a_100000737577_100000211855 [0,2,0,0,0,0|1,0,1]=4 6781 B13R1.45 CN(C)CCC(=O)c1ccccc1 2230a_100102631434_100000750707 [0,2,0,0,0,0|1,0,0]=3 6782 B13R1.45 CN(C)CCC(=O)c1ccccc1 269982a_100102631434_100000750707 [0,2,0,0,0,0|1,0,0]=3 6783 B13R1.45 CN(C)CCS(=O)c1ccccc1 2230a_100102631434_100000740319 [0,2,0,0,0,0|2,0,0]=4 6784 B13R1.45 CN(C)CCS(=O)c1ccccc1 269982a_100102631434_100000740319 [0,2,0,0,0,0|2,0,0]=4 6785 B13R1.45 CN(C)COC(=O)c1ccccc1 269982a_100102631434_100000073877 [0,2,0,0,0,0|0,0,0]=2 6786 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,2,0,0,0,0|1,0,1]=4 6787 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,2,0,0,0,0|1,0,1]=4 6788 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 34a_100000761318_100011934356 [0,2,0,0,0,0|1,0,1]=4 6789 B13R1.45 C[C@@H](OCC(F)F)c1ccccc1 7a_100000761318_100011934356 [0,2,0,0,0,0|1,0,1]=4 6790 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,2,0,0,0,0|1,0,1]=4 6791 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,2,0,0,0,0|1,0,1]=4 6792 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,2,0,0,0,0|1,0,1]=4 6793 B13R1.45 O=C(NCC(F)F)c1ccccc1 11a_100000765723_100000185807 [0,2,0,0,0,0|1,0,0]=3 6794 B13R1.45 O=C(NCC(F)F)c1ccccc1 1626a_100000765723_100000185807 [0,2,0,0,0,0|1,0,0]=3 6795 B13R1.45 O=C(NCC(F)F)c1ccccc1 240690a_100000765723_100000185807 [0,2,0,0,0,0|1,0,0]=3 6796 B13R1.45 O=C(NCC(F)F)c1ccccc1 527a_100000765723_100000185807 [0,2,0,0,0,0|1,0,0]=3 6797 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,2,0,0,0,0|1,0,0]=3 6798 B13R1.45 [13CH3]C(=O)CNC(=O)c1cccnc1 1458a_100000688122_200025704644 [0,2,0,0,0,0|2,0,0]=4 6799 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,2,0,0,0,0|0,2,0]=4 6800 B13R1.122 CC(C)(OCCF)c1ccccc1 7a_100000694644_100011217306 [0,2,0,0,0,0|1,0,1]=4 6801 B13R1.122 CC(C)(OCCO)c1ccccc1 7a_100000694644_100000211926 [0,2,0,0,0,0|1,0,1]=4 6802 B13R1.122 CCCNS(=O)(=O)c1ccccc1 270084a_100020643023_100000210345 [0,2,0,0,0,0|2,0,0]=4 6803 B13R1.122 CCCNS(=O)(=O)c1ccccc1 274078a_100020643023_100000210345 [0,2,0,0,0,0|2,0,0]=4 6804 B13R1.122 CCCNS(=O)(=O)c1ccccc1 40a_100020643023_100000032697 [0,2,0,0,0,0|2,0,0]=4 6805 B13R1.122 CCCOC(C)(C)c1ccccc1 7a_100000694644_100000210303 [0,2,0,0,0,0|1,0,1]=4 6806 B13R1.122 CCNNS(=O)(=O)c1ccccc1 40a_100000756455_100000032697 [0,2,0,0,0,0|2,0,0]=4 6807 B13R1.122 CCOCC(C)(C)c1ccccc1 7a_100000747608_100000210202 [0,2,0,0,0,0|1,0,1]=4 6808 B13R1.122 CCOCC(F)(F)c1ccccc1 34a_100121572206_100009875531 [0,2,0,0,0,0|1,0,1]=4 6809 B13R1.122 CCOCS(=O)(=O)c1ccccc1 34a_100121572206_200009813291 [0,2,0,0,0,0|1,0,0]=3 6810 B13R1.122 CCSCS(=O)(=O)c1ccccc1 62a_100000210202_100000240042 [0,2,0,0,0,0|1,1,0]=4 6811 B13R1.122 CCSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210202 [0,2,0,0,0,0|1,1,0]=4 6812 B13R1.122 CNCCS(=O)(=O)c1ccccc1 2230a_100000168333_200000210301 [0,2,0,0,0,0|2,0,0]=4 6813 B13R1.122 CNCCS(=O)(=O)c1ccccc1 2230a_106832991635_100000229977 [0,2,0,0,0,0|2,0,0]=4 6814 B13R1.122 CNCCS(=O)(=O)c1ccccc1 7a_106832991635_100000229977 [0,2,0,0,0,0|2,0,0]=4 6815 B13R1.122 COCCS(=O)(=O)c1ccccc1 34a_200011215558_200000210301 [0,2,0,0,0,0|2,0,0]=4 6816 B13R1.122 COCCS(=O)(=O)c1ccccc1 7a_200011215558_200000210301 [0,2,0,0,0,0|2,0,0]=4 6817 B13R1.122 CSCCS(=O)(=O)c1ccccc1 62a_100000229977_200000210301 [0,2,0,0,0,0|2,0,0]=4 6818 B13R1.122 CSCCS(=O)(=O)c1ccccc1 62a_200000210301_100000229977 [0,2,0,0,0,0|2,0,0]=4 6819 B13R1.122 O=S(=O)(NCCF)c1ccccc1 270084a_100000724931_100000210345 [0,2,0,0,0,0|2,0,0]=4 6820 B13R1.122 O=S(=O)(NCCF)c1ccccc1 274078a_100000724931_100000210345 [0,2,0,0,0,0|2,0,0]=4 6821 B13R1.122 O=S(=O)(NCCF)c1ccccc1 40a_100000724931_100000032697 [0,2,0,0,0,0|2,0,0]=4 6822 B13R1.122 O=S(=O)(NCCO)c1ccccc1 270084a_100000210304_100000210345 [0,2,0,0,0,0|2,0,0]=4 6823 B13R1.122 O=S(=O)(NCCO)c1ccccc1 274078a_100000210304_100000210345 [0,2,0,0,0,0|2,0,0]=4 6824 B13R1.122 O=S(=O)(NCCO)c1ccccc1 40a_100000210304_100000032697 [0,2,0,0,0,0|2,0,0]=4 6825 B13R1.122 [13CH3]NCCS(=O)(=O)c1ccccc1 2230a_100000168333_200025704644 [0,2,0,0,0,0|2,0,0]=4 6826 B13R1.122 [13CH3]OCCS(=O)(=O)c1ccccc1 34a_200011215558_200025704644 [0,2,0,0,0,0|2,0,0]=4 6827 B13R1.122 [13CH3]OCCS(=O)(=O)c1ccccc1 7a_200011215558_200025704644 [0,2,0,0,0,0|2,0,0]=4 6828 B13R1.122 [13CH3]SCCS(=O)(=O)c1ccccc1 62a_100000229977_200025704644 [0,2,0,0,0,0|2,0,0]=4 6829 B13R1.122 [13CH3]SCCS(=O)(=O)c1ccccc1 62a_200025704644_100000229977 [0,2,0,0,0,0|2,0,0]=4 6830 B13R1.674 C#CCCC(=O)c1ccccc1Br 1458a_100000188424_100000753159 [0,2,0,0,0,0|1,0,1]=4 6831 B13R1.674 C#CCCC(=O)c1ccccc1C 1458a_100000212026_100000753159 [0,2,0,0,0,0|1,0,1]=4 6832 B13R1.674 C#CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000753159 [0,2,0,0,0,0|1,0,1]=4 6833 B13R1.674 C#CCCC(=O)c1ccccc1F 1458a_100000188656_100000753159 [0,2,0,0,0,0|1,0,1]=4 6834 B13R1.674 C#CCCC(=O)c1ccccc1I 1458a_100000187884_100000753159 [0,2,0,0,0,0|1,0,1]=4 6835 B13R1.674 C#CCCC(=O)c1ccccc1O 1458a_100015234032_100000753159 [0,2,0,0,0,0|1,0,1]=4 6836 B13R1.674 C#CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000753159 [0,2,0,0,0,0|1,0,1]=4 6837 B13R1.674 C#CCNC(=O)c1ccccc1Br 11a_100000212058_100000188424 [0,2,0,0,0,0|1,0,1]=4 6838 B13R1.674 C#CCNC(=O)c1ccccc1Br 1626a_100000212058_100000188424 [0,2,0,0,0,0|1,0,1]=4 6839 B13R1.674 C#CCNC(=O)c1ccccc1Br 240690a_100000212058_100000188424 [0,2,0,0,0,0|1,0,1]=4 6840 B13R1.674 C#CCNC(=O)c1ccccc1Br 527a_100000212058_100000188424 [0,2,0,0,0,0|1,0,1]=4 6841 B13R1.674 C#CCNC(=O)c1ccccc1C 11a_100000212058_100000212026 [0,2,0,0,0,0|1,0,1]=4 6842 B13R1.674 C#CCNC(=O)c1ccccc1C 1626a_100000212058_100000212026 [0,2,0,0,0,0|1,0,1]=4 6843 B13R1.674 C#CCNC(=O)c1ccccc1C 240690a_100000212058_100000212026 [0,2,0,0,0,0|1,0,1]=4 6844 B13R1.674 C#CCNC(=O)c1ccccc1C 527a_100000212058_100000212026 [0,2,0,0,0,0|1,0,1]=4 6845 B13R1.674 C#CCNC(=O)c1ccccc1Cl 11a_100000212058_100000185844 [0,2,0,0,0,0|1,0,1]=4 6846 B13R1.674 C#CCNC(=O)c1ccccc1Cl 1626a_100000212058_100000185844 [0,2,0,0,0,0|1,0,1]=4 6847 B13R1.674 C#CCNC(=O)c1ccccc1Cl 240690a_100000212058_100000185844 [0,2,0,0,0,0|1,0,1]=4 6848 B13R1.674 C#CCNC(=O)c1ccccc1Cl 527a_100000212058_100000185844 [0,2,0,0,0,0|1,0,1]=4 6849 B13R1.674 C#CCNC(=O)c1ccccc1F 11a_100000212058_100000188656 [0,2,0,0,0,0|1,0,1]=4 6850 B13R1.674 C#CCNC(=O)c1ccccc1F 1626a_100000212058_100000188656 [0,2,0,0,0,0|1,0,1]=4 6851 B13R1.674 C#CCNC(=O)c1ccccc1F 240690a_100000212058_100000188656 [0,2,0,0,0,0|1,0,1]=4 6852 B13R1.674 C#CCNC(=O)c1ccccc1F 527a_100000212058_100000188656 [0,2,0,0,0,0|1,0,1]=4 6853 B13R1.674 C#CCNC(=O)c1ccccc1I 11a_100000212058_100000187884 [0,2,0,0,0,0|1,0,1]=4 6854 B13R1.674 C#CCNC(=O)c1ccccc1I 1626a_100000212058_100000187884 [0,2,0,0,0,0|1,0,1]=4 6855 B13R1.674 C#CCNC(=O)c1ccccc1I 240690a_100000212058_100000187884 [0,2,0,0,0,0|1,0,1]=4 6856 B13R1.674 C#CCNC(=O)c1ccccc1I 527a_100000212058_100000187884 [0,2,0,0,0,0|1,0,1]=4 6857 B13R1.674 C#CCNC(=O)c1ccccc1O 240690a_100000212058_100015234032 [0,2,0,0,0,0|1,0,1]=4 6858 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 1626a_100000212058_100009911694 [0,2,0,0,0,0|1,0,1]=4 6859 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 240690a_100000212058_100009911694 [0,2,0,0,0,0|1,0,1]=4 6860 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 527a_100000212058_100009911694 [0,2,0,0,0,0|1,0,1]=4 6861 B13R1.674 C/C=C/CC(=O)c1ccccc1Br 1458a_100000188424_100102629194 [0,2,0,0,0,0|1,0,1]=4 6862 B13R1.674 C/C=C/CC(=O)c1ccccc1C 1458a_100000212026_100102629194 [0,2,0,0,0,0|1,0,1]=4 6863 B13R1.674 C/C=C/CC(=O)c1ccccc1Cl 1458a_100000185844_100102629194 [0,2,0,0,0,0|1,0,1]=4 6864 B13R1.674 C/C=C/CC(=O)c1ccccc1F 1458a_100000188656_100102629194 [0,2,0,0,0,0|1,0,1]=4 6865 B13R1.674 C/C=C/CC(=O)c1ccccc1I 1458a_100000187884_100102629194 [0,2,0,0,0,0|1,0,1]=4 6866 B13R1.674 C/C=C/CC(=O)c1ccccc1O 1458a_100015234032_100102629194 [0,2,0,0,0,0|1,0,1]=4 6867 B13R1.674 C/C=C/CC(=O)c1ccccc1[O-] 1458a_100009911694_100102629194 [0,2,0,0,0,0|1,0,1]=4 6868 B13R1.674 C=CCCC(=O)c1ccccc1Br 1458a_100000188424_100000754431 [0,2,0,0,0,0|1,0,1]=4 6869 B13R1.674 C=CCCC(=O)c1ccccc1C 1458a_100000212026_100000754431 [0,2,0,0,0,0|1,0,1]=4 6870 B13R1.674 C=CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000754431 [0,2,0,0,0,0|1,0,1]=4 6871 B13R1.674 C=CCCC(=O)c1ccccc1F 1458a_100000188656_100000754431 [0,2,0,0,0,0|1,0,1]=4 6872 B13R1.674 C=CCCC(=O)c1ccccc1I 1458a_100000187884_100000754431 [0,2,0,0,0,0|1,0,1]=4 6873 B13R1.674 C=CCCC(=O)c1ccccc1O 1458a_100015234032_100000754431 [0,2,0,0,0,0|1,0,1]=4 6874 B13R1.674 C=CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000754431 [0,2,0,0,0,0|1,0,1]=4 6875 B13R1.674 C=CCNC(=O)c1ccccc1Br 1626a_100020586998_100000188424 [0,2,0,0,0,0|1,0,1]=4 6876 B13R1.674 C=CCNC(=O)c1ccccc1Br 240690a_100020586998_100000188424 [0,2,0,0,0,0|1,0,1]=4 6877 B13R1.674 C=CCNC(=O)c1ccccc1Br 527a_100020586998_100000188424 [0,2,0,0,0,0|1,0,1]=4 6878 B13R1.674 C=CCNC(=O)c1ccccc1C 1626a_100020586998_100000212026 [0,2,0,0,0,0|1,0,1]=4 6879 B13R1.674 C=CCNC(=O)c1ccccc1C 240690a_100020586998_100000212026 [0,2,0,0,0,0|1,0,1]=4 6880 B13R1.674 C=CCNC(=O)c1ccccc1C 527a_100020586998_100000212026 [0,2,0,0,0,0|1,0,1]=4 6881 B13R1.674 C=CCNC(=O)c1ccccc1Cl 1626a_100020586998_100000185844 [0,2,0,0,0,0|1,0,1]=4 6882 B13R1.674 C=CCNC(=O)c1ccccc1Cl 240690a_100020586998_100000185844 [0,2,0,0,0,0|1,0,1]=4 6883 B13R1.674 C=CCNC(=O)c1ccccc1Cl 527a_100020586998_100000185844 [0,2,0,0,0,0|1,0,1]=4 6884 B13R1.674 C=CCNC(=O)c1ccccc1F 1626a_100020586998_100000188656 [0,2,0,0,0,0|1,0,1]=4 6885 B13R1.674 C=CCNC(=O)c1ccccc1F 240690a_100020586998_100000188656 [0,2,0,0,0,0|1,0,1]=4 6886 B13R1.674 C=CCNC(=O)c1ccccc1F 527a_100020586998_100000188656 [0,2,0,0,0,0|1,0,1]=4 6887 B13R1.674 C=CCNC(=O)c1ccccc1I 1626a_100020586998_100000187884 [0,2,0,0,0,0|1,0,1]=4 6888 B13R1.674 C=CCNC(=O)c1ccccc1I 240690a_100020586998_100000187884 [0,2,0,0,0,0|1,0,1]=4 6889 B13R1.674 C=CCNC(=O)c1ccccc1I 527a_100020586998_100000187884 [0,2,0,0,0,0|1,0,1]=4 6890 B13R1.674 C=CCNC(=O)c1ccccc1O 240690a_100020586998_100015234032 [0,2,0,0,0,0|1,0,1]=4 6891 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 1626a_100020586998_100009911694 [0,2,0,0,0,0|1,0,1]=4 6892 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 240690a_100020586998_100009911694 [0,2,0,0,0,0|1,0,1]=4 6893 B13R1.674 C=CCNC(=O)c1ccccc1[O-] 527a_100020586998_100009911694 [0,2,0,0,0,0|1,0,1]=4 6894 B13R1.674 CC#CCC(=O)c1ccccc1Br 1458a_100000188424_100000748600 [0,2,0,0,0,0|1,0,1]=4 6895 B13R1.674 CC#CCC(=O)c1ccccc1C 1458a_100000212026_100000748600 [0,2,0,0,0,0|1,0,1]=4 6896 B13R1.674 CC#CCC(=O)c1ccccc1Cl 1458a_100000185844_100000748600 [0,2,0,0,0,0|1,0,1]=4 6897 B13R1.674 CC#CCC(=O)c1ccccc1F 1458a_100000188656_100000748600 [0,2,0,0,0,0|1,0,1]=4 6898 B13R1.674 CC#CCC(=O)c1ccccc1I 1458a_100000187884_100000748600 [0,2,0,0,0,0|1,0,1]=4 6899 B13R1.674 CC#CCC(=O)c1ccccc1O 1458a_100015234032_100000748600 [0,2,0,0,0,0|1,0,1]=4 6900 B13R1.674 CC#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000748600 [0,2,0,0,0,0|1,0,1]=4 6901 B13R1.674 CC(OCCBr)c1ccccc1F 34a_100000211926_200000741388 [0,2,0,0,0,0|1,0,1]=4 6902 B13R1.674 CC(OCCF)c1ccccc1Br 34a_100000702211_100011217306 [0,2,0,0,0,0|1,0,1]=4 6903 B13R1.674 CC(OCCF)c1ccccc1Br 7a_100000702211_100011217306 [0,2,0,0,0,0|1,0,1]=4 6904 B13R1.674 CC(OCCF)c1ccccc1Cl 34a_100000740796_100011217306 [0,2,0,0,0,0|1,0,1]=4 6905 B13R1.674 CC(OCCF)c1ccccc1Cl 7a_100000740796_100011217306 [0,2,0,0,0,0|1,0,1]=4 6906 B13R1.674 CC(OCCF)c1ccccc1F 34a_100000697922_100011217306 [0,2,0,0,0,0|1,0,1]=4 6907 B13R1.674 CC(OCCF)c1ccccc1F 7a_100000697922_100011217306 [0,2,0,0,0,0|1,0,1]=4 6908 B13R1.674 CC(OCCF)c1ccccc1N 7a_100011405641_100011217306 [0,2,0,0,0,0|1,0,1]=4 6909 B13R1.674 CC(OCCN)c1ccccc1F 34a_100000210304_200000741388 [0,2,0,0,0,0|1,0,1]=4 6910 B13R1.674 CC(OCCO)c1ccccc1Br 34a_100000702211_100000211926 [0,2,0,0,0,0|1,0,1]=4 6911 B13R1.674 CC(OCCO)c1ccccc1Br 7a_100000702211_100000211926 [0,2,0,0,0,0|1,0,1]=4 6912 B13R1.674 CC(OCCO)c1ccccc1Cl 34a_100000740796_100000211926 [0,2,0,0,0,0|1,0,1]=4 6913 B13R1.674 CC(OCCO)c1ccccc1Cl 7a_100000740796_100000211926 [0,2,0,0,0,0|1,0,1]=4 6914 B13R1.674 CC(OCCO)c1ccccc1F 34a_100000697922_100000211926 [0,2,0,0,0,0|1,0,1]=4 6915 B13R1.674 CC(OCCO)c1ccccc1F 7a_100000697922_100000211926 [0,2,0,0,0,0|1,0,1]=4 6916 B13R1.674 CC(OCCO)c1ccccc1N 7a_100011405641_100000211926 [0,2,0,0,0,0|1,0,1]=4 6917 B13R1.674 CC=CCC(=O)c1ccccc1Br 1458a_100000188424_100000070051 [0,2,0,0,0,0|1,0,1]=4 6918 B13R1.674 CC=CCC(=O)c1ccccc1C 1458a_100000212026_100000070051 [0,2,0,0,0,0|1,0,1]=4 6919 B13R1.674 CC=CCC(=O)c1ccccc1Cl 1458a_100000185844_100000070051 [0,2,0,0,0,0|1,0,1]=4 6920 B13R1.674 CC=CCC(=O)c1ccccc1F 1458a_100000188656_100000070051 [0,2,0,0,0,0|1,0,1]=4 6921 B13R1.674 CC=CCC(=O)c1ccccc1I 1458a_100000187884_100000070051 [0,2,0,0,0,0|1,0,1]=4 6922 B13R1.674 CC=CCC(=O)c1ccccc1O 1458a_100015234032_100000070051 [0,2,0,0,0,0|1,0,1]=4 6923 B13R1.674 CC=CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000070051 [0,2,0,0,0,0|1,0,1]=4 6924 B13R1.674 CC=NNC(=O)c1ccccc1Br 4a_100000183644_200000210099 [0,2,0,0,0,0|1,0,1]=4 6925 B13R1.674 CC=NNC(=O)c1ccccc1C 4a_100000181371_200000210099 [0,2,0,0,0,0|1,0,1]=4 6926 B13R1.674 CC=NNC(=O)c1ccccc1Cl 4a_100000186534_200000210099 [0,2,0,0,0,0|1,0,1]=4 6927 B13R1.674 CC=NNC(=O)c1ccccc1F 4a_100000183521_200000210099 [0,2,0,0,0,0|1,0,1]=4 6928 B13R1.674 CC=NNC(=O)c1ccccc1I 4a_100000190081_200000210099 [0,2,0,0,0,0|1,0,1]=4 6929 B13R1.674 CCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210211 [0,2,0,0,0,0|1,0,0]=3 6930 B13R1.674 CCCCC(=O)c1ccccc1C 1458a_100000212026_100000210211 [0,2,0,0,0,0|1,0,0]=3 6931 B13R1.674 CCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210211 [0,2,0,0,0,0|1,0,0]=3 6932 B13R1.674 CCCCC(=O)c1ccccc1F 1458a_100000188656_100000210211 [0,2,0,0,0,0|1,0,0]=3 6933 B13R1.674 CCCCC(=O)c1ccccc1I 1458a_100000187884_100000210211 [0,2,0,0,0,0|1,0,0]=3 6934 B13R1.674 CCCCC(=O)c1ccccc1O 1458a_100015234032_100000210211 [0,2,0,0,0,0|1,0,0]=3 6935 B13R1.674 CCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210211 [0,2,0,0,0,0|1,0,0]=3 6936 B13R1.674 CCCNC(=O)c1ccccc1Br 11a_100020643023_100000188424 [0,2,0,0,0,0|1,0,0]=3 6937 B13R1.674 CCCNC(=O)c1ccccc1Br 1626a_100020643023_100000188424 [0,2,0,0,0,0|1,0,0]=3 6938 B13R1.674 CCCNC(=O)c1ccccc1Br 240690a_100020643023_100000188424 [0,2,0,0,0,0|1,0,0]=3 6939 B13R1.674 CCCNC(=O)c1ccccc1Br 527a_100020643023_100000188424 [0,2,0,0,0,0|1,0,0]=3 6940 B13R1.674 CCCNC(=O)c1ccccc1C 11a_100020643023_100000212026 [0,2,0,0,0,0|1,0,0]=3 6941 B13R1.674 CCCNC(=O)c1ccccc1C 1626a_100020643023_100000212026 [0,2,0,0,0,0|1,0,0]=3 6942 B13R1.674 CCCNC(=O)c1ccccc1C 240690a_100020643023_100000212026 [0,2,0,0,0,0|1,0,0]=3 6943 B13R1.674 CCCNC(=O)c1ccccc1C 527a_100020643023_100000212026 [0,2,0,0,0,0|1,0,0]=3 6944 B13R1.674 CCCNC(=O)c1ccccc1Cl 11a_100020643023_100000185844 [0,2,0,0,0,0|1,0,0]=3 6945 B13R1.674 CCCNC(=O)c1ccccc1Cl 1626a_100020643023_100000185844 [0,2,0,0,0,0|1,0,0]=3 6946 B13R1.674 CCCNC(=O)c1ccccc1Cl 240690a_100020643023_100000185844 [0,2,0,0,0,0|1,0,0]=3 6947 B13R1.674 CCCNC(=O)c1ccccc1Cl 527a_100020643023_100000185844 [0,2,0,0,0,0|1,0,0]=3 6948 B13R1.674 CCCNC(=O)c1ccccc1F 11a_100020643023_100000188656 [0,2,0,0,0,0|1,0,0]=3 6949 B13R1.674 CCCNC(=O)c1ccccc1F 1626a_100020643023_100000188656 [0,2,0,0,0,0|1,0,0]=3 6950 B13R1.674 CCCNC(=O)c1ccccc1F 240690a_100020643023_100000188656 [0,2,0,0,0,0|1,0,0]=3 6951 B13R1.674 CCCNC(=O)c1ccccc1F 527a_100020643023_100000188656 [0,2,0,0,0,0|1,0,0]=3 6952 B13R1.674 CCCNC(=O)c1ccccc1I 11a_100020643023_100000187884 [0,2,0,0,0,0|1,0,0]=3 6953 B13R1.674 CCCNC(=O)c1ccccc1I 1626a_100020643023_100000187884 [0,2,0,0,0,0|1,0,0]=3 6954 B13R1.674 CCCNC(=O)c1ccccc1I 240690a_100020643023_100000187884 [0,2,0,0,0,0|1,0,0]=3 6955 B13R1.674 CCCNC(=O)c1ccccc1I 527a_100020643023_100000187884 [0,2,0,0,0,0|1,0,0]=3 6956 B13R1.674 CCCNC(=O)c1ccccc1O 240690a_100020643023_100015234032 [0,2,0,0,0,0|1,0,0]=3 6957 B13R1.674 CCCNC(=O)c1ccccc1O 271570a_203496583355_200000152266 [0,2,0,0,0,0|1,0,0]=3 6958 B13R1.674 CCCNC(=O)c1ccccc1[O-] 1626a_100020643023_100009911694 [0,2,0,0,0,0|1,0,0]=3 6959 B13R1.674 CCCNC(=O)c1ccccc1[O-] 240690a_100020643023_100009911694 [0,2,0,0,0,0|1,0,0]=3 6960 B13R1.674 CCCNC(=O)c1ccccc1[O-] 527a_100020643023_100009911694 [0,2,0,0,0,0|1,0,0]=3 6961 B13R1.674 CCCNC(=O)c1cccnc1O 271570a_203496583355_100000161721 [0,2,0,0,0,0|2,0,0]=4 6962 B13R1.674 CCCOC(C)c1ccccc1Br 34a_100000702211_100000210303 [0,2,0,0,0,0|1,0,1]=4 6963 B13R1.674 CCCOC(C)c1ccccc1Br 7a_100000702211_100000210303 [0,2,0,0,0,0|1,0,1]=4 6964 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,2,0,0,0,0|1,0,1]=4 6965 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,2,0,0,0,0|1,0,1]=4 6966 B13R1.674 CCCOC(C)c1ccccc1Cl 34a_100000740796_100000210303 [0,2,0,0,0,0|1,0,1]=4 6967 B13R1.674 CCCOC(C)c1ccccc1Cl 7a_100000740796_100000210303 [0,2,0,0,0,0|1,0,1]=4 6968 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000210258_200000741388 [0,2,0,0,0,0|1,0,1]=4 6969 B13R1.674 CCCOC(C)c1ccccc1F 34a_100000697922_100000210303 [0,2,0,0,0,0|1,0,1]=4 6970 B13R1.674 CCCOC(C)c1ccccc1F 7a_100000697922_100000210303 [0,2,0,0,0,0|1,0,1]=4 6971 B13R1.674 CCCOC(C)c1ccccc1N 7a_100011405641_100000210303 [0,2,0,0,0,0|1,0,1]=4 6972 B13R1.674 CCNCC(=O)c1ccccc1C 2230a_100015525214_100000741374 [0,2,0,0,0,0|1,0,0]=3 6973 B13R1.674 CCNN=C(C)c1ccccc1Br 4a_100000756455_100000187085 [0,2,0,0,0,0|2,0,0]=4 6974 B13R1.674 CCNN=C(C)c1ccccc1C 4a_100000756455_100000211656 [0,2,0,0,0,0|2,0,0]=4 6975 B13R1.674 CCNN=C(C)c1ccccc1Cl 4a_100000756455_100000210134 [0,2,0,0,0,0|2,0,0]=4 6976 B13R1.674 CCNN=C(C)c1ccccc1F 4a_100000756455_100000210632 [0,2,0,0,0,0|2,0,0]=4 6977 B13R1.674 CCNN=C(C)c1ccccc1I 4a_100000756455_100000751169 [0,2,0,0,0,0|2,0,0]=4 6978 B13R1.674 CCNN=C(C)c1ccccc1O 4a_100000756455_100000188907 [0,2,0,0,0,0|2,0,0]=4 6979 B13R1.674 CCNNC(=O)c1ccccc1Br 22a_100000756455_100000188424 [0,2,0,0,0,0|1,0,0]=3 6980 B13R1.674 CCNNC(=O)c1ccccc1C 22a_100000756455_100000212026 [0,2,0,0,0,0|1,0,0]=3 6981 B13R1.674 CCNNC(=O)c1ccccc1Cl 22a_100000756455_100000185844 [0,2,0,0,0,0|1,0,0]=3 6982 B13R1.674 CCNNC(=O)c1ccccc1F 22a_100000756455_100000188656 [0,2,0,0,0,0|1,0,0]=3 6983 B13R1.674 CCNNC(=O)c1ccccc1I 22a_100000756455_100000187884 [0,2,0,0,0,0|1,0,0]=3 6984 B13R1.674 CCNNC(=O)c1ccccc1O 22a_100000756455_100015234032 [0,2,0,0,0,0|1,0,0]=3 6985 B13R1.674 CCNNC(=O)c1ccccc1[O-] 22a_100000756455_100009911694 [0,2,0,0,0,0|1,0,0]=3 6986 B13R1.674 CCOCC(=O)c1ccccc1Br 34a_100121572206_100000199116 [0,2,0,0,0,0|0,0,0]=2 6987 B13R1.674 CCOCC(=O)c1ccccc1C 34a_100121572206_100000741374 [0,2,0,0,0,0|0,0,0]=2 6988 B13R1.674 CCOCC(=O)c1ccccc1Cl 34a_100121572206_100000211432 [0,2,0,0,0,0|0,0,0]=2 6989 B13R1.674 CCOCC(=O)c1ccccc1F 34a_100121572206_100000204681 [0,2,0,0,0,0|0,0,0]=2 6990 B13R1.674 CCOCC(N)c1ccccc1Cl 34a_100138412506_100000210202 [0,2,0,0,0,0|1,0,1]=4 6991 B13R1.674 CCOCN(C)c1ccccc1Br 269982a_100020606079_100000739092 [0,2,0,0,0,0|2,0,0]=4 6992 B13R1.674 CCOCN(C)c1ccccc1C 269982a_100000219699_100000739092 [0,2,0,0,0,0|2,0,0]=4 6993 B13R1.674 CCOCN(C)c1ccccc1Cl 269982a_100000219374_100000739092 [0,2,0,0,0,0|2,0,0]=4 6994 B13R1.674 CCOCN(C)c1ccccc1F 269982a_100000220357_100000739092 [0,2,0,0,0,0|2,0,0]=4 6995 B13R1.674 CCOCN(C)c1ccccc1O 269982a_100000033821_100000739092 [0,2,0,0,0,0|2,0,0]=4 6996 B13R1.674 CCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210202 [0,2,0,0,0,0|1,0,1]=4 6997 B13R1.674 CCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210202 [0,2,0,0,0,0|1,0,1]=4 6998 B13R1.674 CCSCC(=O)c1ccccc1Br 62a_100000199116_100000210202 [0,2,0,0,0,0|0,1,0]=3 6999 B13R1.674 CCSCC(=O)c1ccccc1C 62a_100000210202_100000741374 [0,2,0,0,0,0|0,1,0]=3 7000 B13R1.674 CCSCC(=O)c1ccccc1C 62a_100000741374_100000210202 [0,2,0,0,0,0|0,1,0]=3 7001 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000210202_100000211432 [0,2,0,0,0,0|0,1,0]=3 7002 B13R1.674 CCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210202 [0,2,0,0,0,0|0,1,0]=3 7003 B13R1.674 CCSCC(=O)c1ccccc1F 62a_100000204681_100000210202 [0,2,0,0,0,0|0,1,0]=3 7004 B13R1.674 CCSCC(=O)c1ccccc1F 62a_100000210202_100000204681 [0,2,0,0,0,0|0,1,0]=3 7005 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000188908_100000210202 [0,2,0,0,0,0|0,1,0]=3 7006 B13R1.674 CCSCC(=O)c1ccccc1O 62a_100000210202_100000188908 [0,2,0,0,0,0|0,1,0]=3 7007 B13R1.674 CNCCC(=O)c1ccccc1F 2230a_106832991635_100000086012 [0,2,0,0,0,0|1,0,0]=3 7008 B13R1.674 CNCCC(=O)c1ccccc1F 7a_106832991635_100000086012 [0,2,0,0,0,0|1,0,0]=3 7009 B13R1.674 CNCCC(=O)c1ccccc1O 7a_106832991635_100009873196 [0,2,0,0,0,0|1,0,0]=3 7010 B13R1.674 COCCC(=O)c1ccccc1Br 1458a_100000188424_100000233755 [0,2,0,0,0,0|1,0,0]=3 7011 B13R1.674 COCCC(=O)c1ccccc1C 1458a_100000212026_100000233755 [0,2,0,0,0,0|1,0,0]=3 7012 B13R1.674 COCCC(=O)c1ccccc1Cl 1458a_100000185844_100000233755 [0,2,0,0,0,0|1,0,0]=3 7013 B13R1.674 COCCC(=O)c1ccccc1F 1458a_100000188656_100000233755 [0,2,0,0,0,0|1,0,0]=3 7014 B13R1.674 COCCC(=O)c1ccccc1I 1458a_100000187884_100000233755 [0,2,0,0,0,0|1,0,0]=3 7015 B13R1.674 COCCC(=O)c1ccccc1O 1458a_100015234032_100000233755 [0,2,0,0,0,0|1,0,0]=3 7016 B13R1.674 COCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000233755 [0,2,0,0,0,0|1,0,0]=3 7017 B13R1.674 CSCCC(=O)c1ccccc1Br 1458a_100000188424_100000751147 [0,2,0,0,0,0|1,0,0]=3 7018 B13R1.674 CSCCC(=O)c1ccccc1C 1458a_100000212026_100000751147 [0,2,0,0,0,0|1,0,0]=3 7019 B13R1.674 CSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000751147 [0,2,0,0,0,0|1,0,0]=3 7020 B13R1.674 CSCCC(=O)c1ccccc1F 1458a_100000188656_100000751147 [0,2,0,0,0,0|1,0,0]=3 7021 B13R1.674 CSCCC(=O)c1ccccc1F 62a_100000086012_200000210301 [0,2,0,0,0,0|1,0,0]=3 7022 B13R1.674 CSCCC(=O)c1ccccc1F 62a_200000210301_100000086012 [0,2,0,0,0,0|1,0,0]=3 7023 B13R1.674 CSCCC(=O)c1ccccc1I 1458a_100000187884_100000751147 [0,2,0,0,0,0|1,0,0]=3 7024 B13R1.674 CSCCC(=O)c1ccccc1O 1458a_100015234032_100000751147 [0,2,0,0,0,0|1,0,0]=3 7025 B13R1.674 CSCCC(=O)c1ccccc1O 62a_200000210301_100009873196 [0,2,0,0,0,0|1,0,0]=3 7026 B13R1.674 CSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000751147 [0,2,0,0,0,0|1,0,0]=3 7027 B13R1.674 CSCOC(C)c1ccccc1Br 34a_100000702211_100011218213 [0,2,0,0,0,0|1,0,1]=4 7028 B13R1.674 CSCOC(C)c1ccccc1C 34a_100000742021_100011218213 [0,2,0,0,0,0|1,0,1]=4 7029 B13R1.674 CSCOC(C)c1ccccc1Cl 34a_100000740796_100011218213 [0,2,0,0,0,0|1,0,1]=4 7030 B13R1.674 CSCOC(C)c1ccccc1F 34a_100000697922_100011218213 [0,2,0,0,0,0|1,0,1]=4 7031 B13R1.674 Cc1ccccc1C(=O)CCC#N 1458a_100000212026_100011215226 [0,2,0,0,0,0|1,0,1]=4 7032 B13R1.674 Cc1ccccc1C(=O)CCCF 1458a_100000212026_100011934791 [0,2,0,0,0,0|1,0,0]=3 7033 B13R1.674 Cc1ccccc1C(=O)CCCO 1458a_100000212026_100011215043 [0,2,0,0,0,0|1,0,0]=3 7034 B13R1.674 Cc1ccccc1C(=O)CSCF 62a_100000741374_100015361967 [0,2,0,0,0,0|1,1,0]=4 7035 B13R1.674 Cc1ccccc1C(=O)CSCF 62a_100015361967_100000741374 [0,2,0,0,0,0|1,1,0]=4 7036 B13R1.674 Cc1ccccc1C(=O)NCC#N 1626a_100000734998_100000212026 [0,2,0,0,0,0|1,0,1]=4 7037 B13R1.674 Cc1ccccc1C(=O)NCC#N 527a_100000734998_100000212026 [0,2,0,0,0,0|1,0,1]=4 7038 B13R1.674 Cc1ccccc1C(=O)NCCF 11a_100000724931_100000212026 [0,2,0,0,0,0|1,0,0]=3 7039 B13R1.674 Cc1ccccc1C(=O)NCCF 1626a_100000724931_100000212026 [0,2,0,0,0,0|1,0,0]=3 7040 B13R1.674 Cc1ccccc1C(=O)NCCF 240690a_100000724931_100000212026 [0,2,0,0,0,0|1,0,0]=3 7041 B13R1.674 Cc1ccccc1C(=O)NCCF 527a_100000724931_100000212026 [0,2,0,0,0,0|1,0,0]=3 7042 B13R1.674 Cc1ccccc1C(=O)NCCO 240690a_100000210304_100000212026 [0,2,0,0,0,0|1,0,0]=3 7043 B13R1.674 Cc1ccccc1C(=O)NCCO 527a_100000210304_100000212026 [0,2,0,0,0,0|1,0,0]=3 7044 B13R1.674 Cc1ccccc1C(C)OCCF 34a_100000742021_100011217306 [0,2,0,0,0,0|1,0,1]=4 7045 B13R1.674 Cc1ccccc1C(C)OCCF 7a_100000742021_100011217306 [0,2,0,0,0,0|1,0,1]=4 7046 B13R1.674 Cc1ccccc1C(C)OCCO 34a_100000742021_100000211926 [0,2,0,0,0,0|1,0,1]=4 7047 B13R1.674 Cc1ccccc1C(C)OCCO 7a_100000742021_100000211926 [0,2,0,0,0,0|1,0,1]=4 7048 B13R1.674 N#CCCC(=O)c1ccccc1Br 1458a_100000188424_100011215226 [0,2,0,0,0,0|1,0,1]=4 7049 B13R1.674 N#CCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215226 [0,2,0,0,0,0|1,0,1]=4 7050 B13R1.674 N#CCCC(=O)c1ccccc1F 1458a_100000188656_100011215226 [0,2,0,0,0,0|1,0,1]=4 7051 B13R1.674 N#CCCC(=O)c1ccccc1I 1458a_100000187884_100011215226 [0,2,0,0,0,0|1,0,1]=4 7052 B13R1.674 N#CCCC(=O)c1ccccc1O 1458a_100015234032_100011215226 [0,2,0,0,0,0|1,0,1]=4 7053 B13R1.674 N#CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215226 [0,2,0,0,0,0|1,0,1]=4 7054 B13R1.674 N#CCNC(=O)c1ccccc1Br 1626a_100000734998_100000188424 [0,2,0,0,0,0|1,0,1]=4 7055 B13R1.674 N#CCNC(=O)c1ccccc1Br 527a_100000734998_100000188424 [0,2,0,0,0,0|1,0,1]=4 7056 B13R1.674 N#CCNC(=O)c1ccccc1Cl 1626a_100000734998_100000185844 [0,2,0,0,0,0|1,0,1]=4 7057 B13R1.674 N#CCNC(=O)c1ccccc1Cl 527a_100000734998_100000185844 [0,2,0,0,0,0|1,0,1]=4 7058 B13R1.674 N#CCNC(=O)c1ccccc1F 1626a_100000734998_100000188656 [0,2,0,0,0,0|1,0,1]=4 7059 B13R1.674 N#CCNC(=O)c1ccccc1F 527a_100000734998_100000188656 [0,2,0,0,0,0|1,0,1]=4 7060 B13R1.674 N#CCNC(=O)c1ccccc1I 1626a_100000734998_100000187884 [0,2,0,0,0,0|1,0,1]=4 7061 B13R1.674 N#CCNC(=O)c1ccccc1I 527a_100000734998_100000187884 [0,2,0,0,0,0|1,0,1]=4 7062 B13R1.674 N#CCNC(=O)c1ccccc1[O-] 1626a_100000734998_100009911694 [0,2,0,0,0,0|1,0,1]=4 7063 B13R1.674 N#CCNC(=O)c1ccccc1[O-] 527a_100000734998_100009911694 [0,2,0,0,0,0|1,0,1]=4 7064 B13R1.674 O=C(CCCF)c1ccccc1Br 1458a_100000188424_100011934791 [0,2,0,0,0,0|1,0,0]=3 7065 B13R1.674 O=C(CCCF)c1ccccc1Cl 1458a_100000185844_100011934791 [0,2,0,0,0,0|1,0,0]=3 7066 B13R1.674 O=C(CCCF)c1ccccc1F 1458a_100000188656_100011934791 [0,2,0,0,0,0|1,0,0]=3 7067 B13R1.674 O=C(CCCF)c1ccccc1I 1458a_100000187884_100011934791 [0,2,0,0,0,0|1,0,0]=3 7068 B13R1.674 O=C(CCCF)c1ccccc1O 1458a_100015234032_100011934791 [0,2,0,0,0,0|1,0,0]=3 7069 B13R1.674 O=C(CCCF)c1ccccc1[O-] 1458a_100009911694_100011934791 [0,2,0,0,0,0|1,0,0]=3 7070 B13R1.674 O=C(CCCO)c1ccccc1Br 1458a_100000188424_100011215043 [0,2,0,0,0,0|1,0,0]=3 7071 B13R1.674 O=C(CCCO)c1ccccc1Cl 1458a_100000185844_100011215043 [0,2,0,0,0,0|1,0,0]=3 7072 B13R1.674 O=C(CCCO)c1ccccc1F 1458a_100000188656_100011215043 [0,2,0,0,0,0|1,0,0]=3 7073 B13R1.674 O=C(CCCO)c1ccccc1I 1458a_100000187884_100011215043 [0,2,0,0,0,0|1,0,0]=3 7074 B13R1.674 O=C(CCCO)c1ccccc1O 1458a_100015234032_100011215043 [0,2,0,0,0,0|1,0,0]=3 7075 B13R1.674 O=C(CCCO)c1ccccc1[O-] 1458a_100009911694_100011215043 [0,2,0,0,0,0|1,0,0]=3 7076 B13R1.674 O=C(CSCF)c1ccccc1Br 62a_100000199116_100015361967 [0,2,0,0,0,0|1,1,0]=4 7077 B13R1.674 O=C(CSCF)c1ccccc1Cl 62a_100000211432_100015361967 [0,2,0,0,0,0|1,1,0]=4 7078 B13R1.674 O=C(CSCF)c1ccccc1Cl 62a_100015361967_100000211432 [0,2,0,0,0,0|1,1,0]=4 7079 B13R1.674 O=C(CSCF)c1ccccc1F 62a_100000204681_100015361967 [0,2,0,0,0,0|1,1,0]=4 7080 B13R1.674 O=C(CSCF)c1ccccc1F 62a_100015361967_100000204681 [0,2,0,0,0,0|1,1,0]=4 7081 B13R1.674 O=C(CSCF)c1ccccc1O 62a_100000188908_100015361967 [0,2,0,0,0,0|1,1,0]=4 7082 B13R1.674 O=C(CSCF)c1ccccc1O 62a_100015361967_100000188908 [0,2,0,0,0,0|1,1,0]=4 7083 B13R1.674 O=C(NCCF)c1ccccc1Br 11a_100000724931_100000188424 [0,2,0,0,0,0|1,0,0]=3 7084 B13R1.674 O=C(NCCF)c1ccccc1Br 1626a_100000724931_100000188424 [0,2,0,0,0,0|1,0,0]=3 7085 B13R1.674 O=C(NCCF)c1ccccc1Br 240690a_100000724931_100000188424 [0,2,0,0,0,0|1,0,0]=3 7086 B13R1.674 O=C(NCCF)c1ccccc1Br 527a_100000724931_100000188424 [0,2,0,0,0,0|1,0,0]=3 7087 B13R1.674 O=C(NCCF)c1ccccc1Cl 11a_100000724931_100000185844 [0,2,0,0,0,0|1,0,0]=3 7088 B13R1.674 O=C(NCCF)c1ccccc1Cl 1626a_100000724931_100000185844 [0,2,0,0,0,0|1,0,0]=3 7089 B13R1.674 O=C(NCCF)c1ccccc1Cl 240690a_100000724931_100000185844 [0,2,0,0,0,0|1,0,0]=3 7090 B13R1.674 O=C(NCCF)c1ccccc1Cl 527a_100000724931_100000185844 [0,2,0,0,0,0|1,0,0]=3 7091 B13R1.674 O=C(NCCF)c1ccccc1F 11a_100000724931_100000188656 [0,2,0,0,0,0|1,0,0]=3 7092 B13R1.674 O=C(NCCF)c1ccccc1F 1626a_100000724931_100000188656 [0,2,0,0,0,0|1,0,0]=3 7093 B13R1.674 O=C(NCCF)c1ccccc1F 240690a_100000724931_100000188656 [0,2,0,0,0,0|1,0,0]=3 7094 B13R1.674 O=C(NCCF)c1ccccc1F 527a_100000724931_100000188656 [0,2,0,0,0,0|1,0,0]=3 7095 B13R1.674 O=C(NCCF)c1ccccc1I 11a_100000724931_100000187884 [0,2,0,0,0,0|1,0,0]=3 7096 B13R1.674 O=C(NCCF)c1ccccc1I 1626a_100000724931_100000187884 [0,2,0,0,0,0|1,0,0]=3 7097 B13R1.674 O=C(NCCF)c1ccccc1I 240690a_100000724931_100000187884 [0,2,0,0,0,0|1,0,0]=3 7098 B13R1.674 O=C(NCCF)c1ccccc1I 527a_100000724931_100000187884 [0,2,0,0,0,0|1,0,0]=3 7099 B13R1.674 O=C(NCCF)c1ccccc1O 240690a_100000724931_100015234032 [0,2,0,0,0,0|1,0,0]=3 7100 B13R1.674 O=C(NCCF)c1ccccc1[O-] 1626a_100000724931_100009911694 [0,2,0,0,0,0|1,0,0]=3 7101 B13R1.674 O=C(NCCF)c1ccccc1[O-] 240690a_100000724931_100009911694 [0,2,0,0,0,0|1,0,0]=3 7102 B13R1.674 O=C(NCCF)c1ccccc1[O-] 527a_100000724931_100009911694 [0,2,0,0,0,0|1,0,0]=3 7103 B13R1.674 O=C(NCCO)c1ccccc1Br 240690a_100000210304_100000188424 [0,2,0,0,0,0|1,0,0]=3 7104 B13R1.674 O=C(NCCO)c1ccccc1Br 527a_100000210304_100000188424 [0,2,0,0,0,0|1,0,0]=3 7105 B13R1.674 O=C(NCCO)c1ccccc1Cl 240690a_100000210304_100000185844 [0,2,0,0,0,0|1,0,0]=3 7106 B13R1.674 O=C(NCCO)c1ccccc1Cl 527a_100000210304_100000185844 [0,2,0,0,0,0|1,0,0]=3 7107 B13R1.674 O=C(NCCO)c1ccccc1F 240690a_100000210304_100000188656 [0,2,0,0,0,0|1,0,0]=3 7108 B13R1.674 O=C(NCCO)c1ccccc1F 527a_100000210304_100000188656 [0,2,0,0,0,0|1,0,0]=3 7109 B13R1.674 O=C(NCCO)c1ccccc1I 240690a_100000210304_100000187884 [0,2,0,0,0,0|1,0,0]=3 7110 B13R1.674 O=C(NCCO)c1ccccc1I 527a_100000210304_100000187884 [0,2,0,0,0,0|1,0,0]=3 7111 B13R1.674 O=C(NCCO)c1ccccc1O 240690a_100000210304_100015234032 [0,2,0,0,0,0|1,0,0]=3 7112 B13R1.674 O=C(NCCO)c1ccccc1O 271570a_203496583355_200000158863 [0,2,0,0,0,0|1,0,0]=3 7113 B13R1.674 O=C(NCCO)c1ccccc1[O-] 240690a_100000210304_100009911694 [0,2,0,0,0,0|1,0,0]=3 7114 B13R1.674 O=C(NCCO)c1ccccc1[O-] 527a_100000210304_100009911694 [0,2,0,0,0,0|1,0,0]=3 7115 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_100000086012_200025704644 [0,2,0,0,0,0|1,0,0]=3 7116 B13R1.674 [13CH3]SCCC(=O)c1ccccc1F 62a_200025704644_100000086012 [0,2,0,0,0,0|1,0,0]=3 7117 B13R1.674 [13CH3]SCCC(=O)c1ccccc1O 62a_200025704644_100009873196 [0,2,0,0,0,0|1,0,0]=3 7118 B13R1.86 CCC(CC)C(=O)c1ccccc1 1458a_100000185807_100000210505 [0,2,0,0,0,0|1,0,0]=3 7119 B13R1.86 CCN(CC)C(=O)c1ccccc1 11a_100000724800_100000185807 [0,2,0,0,0,0|1,0,0]=3 7120 B13R1.86 CCN(CC)C(=O)c1ccccc1 1626a_100000724800_100000185807 [0,2,0,0,0,0|1,0,0]=3 7121 B13R1.86 CCN(CC)C(=O)c1ccccc1 240690a_100000724800_100000185807 [0,2,0,0,0,0|1,0,0]=3 7122 B13R1.86 CCN(CC)C(=O)c1ccccc1 527a_100000724800_100000185807 [0,2,0,0,0,0|1,0,0]=3 7123 B13R1.152 C=C(C(=O)C(C)C)c1ccccc1 1458a_100000065200_100000210206 [0,2,0,0,0,0|2,0,0]=4 7124 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,2,0,0,0,0|1,0,1]=4 7125 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,2,0,0,0,0|1,0,1]=4 7126 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 2230a_100102631434_100000239700 [0,2,0,0,0,0|2,0,0]=4 7127 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 269982a_100102631434_100000239700 [0,2,0,0,0,0|2,0,0]=4 7128 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 11a_200000211004_100000185807 [0,2,0,0,0,0|1,0,0]=3 7129 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 1626a_200000211004_100000185807 [0,2,0,0,0,0|1,0,0]=3 7130 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 240690a_200000211004_100000185807 [0,2,0,0,0,0|1,0,0]=3 7131 B13R1.152 CC(C)N(C)C(=O)c1ccccc1 527a_200000211004_100000185807 [0,2,0,0,0,0|1,0,0]=3 7132 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 34a_100011217161_200025704644 [0,2,0,0,0,0|2,0,0]=4 7133 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 7a_100011217161_200025704644 [0,2,0,0,0,0|2,0,0]=4 7134 B13R1.263 CC(C)(S[13CH3])C(=O)c1ccccc1 62a_200009813919_200025704644 [0,2,0,0,0,0|2,0,0]=4 7135 B13R1.263 CC(C)(S[13CH3])C(=O)c1ccccc1 62a_200025704644_200009813919 [0,2,0,0,0,0|2,0,0]=4 7136 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 2230a_106832991635_200009813919 [0,2,0,0,0,0|2,0,0]=4 7137 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 7a_106832991635_200009813919 [0,2,0,0,0,0|2,0,0]=4 7138 B13R1.263 COC(C)(C)C(=O)c1ccccc1 34a_100011217161_200000210301 [0,2,0,0,0,0|2,0,0]=4 7139 B13R1.263 COC(C)(C)C(=O)c1ccccc1 7a_100011217161_200000210301 [0,2,0,0,0,0|2,0,0]=4 7140 B13R1.263 CSC(C)(C)C(=O)c1ccccc1 62a_200000210301_200009813919 [0,2,0,0,0,0|2,0,0]=4 7141 B13R1.263 CSC(C)(C)C(=O)c1ccccc1 62a_200009813919_200000210301 [0,2,0,0,0,0|2,0,0]=4 7142 B13R1.263 CSC(F)(F)C(=O)c1ccccc1 62a_100011214938_200000210301 [0,2,0,0,0,0|2,0,0]=4 7143 B13R1.263 CSC(F)(F)C(=O)c1ccccc1 62a_200000210301_100011214938 [0,2,0,0,0,0|2,0,0]=4 7144 B13R1.263 [13CH3]SC(F)(F)C(=O)c1ccccc1 62a_100011214938_200025704644 [0,2,0,0,0,0|2,0,0]=4 7145 B13R1.263 [13CH3]SC(F)(F)C(=O)c1ccccc1 62a_200025704644_100011214938 [0,2,0,0,0,0|2,0,0]=4 7146 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_100010255250_200025704644 [0,2,0,0,0,0|2,0,0]=4 7147 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_200025704644_100010255250 [0,2,0,0,0,0|2,0,0]=4 7148 B13R1.696 CCC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000758301 [0,2,0,0,0,0|1,0,0]=3 7149 B13R1.696 CCC(C)C(=O)c1ccccc1C 1458a_100000212026_100000758301 [0,2,0,0,0,0|1,0,0]=3 7150 B13R1.696 CCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000758301 [0,2,0,0,0,0|1,0,0]=3 7151 B13R1.696 CCC(C)C(=O)c1ccccc1F 1458a_100000188656_100000758301 [0,2,0,0,0,0|1,0,0]=3 7152 B13R1.696 CCC(C)C(=O)c1ccccc1I 1458a_100000187884_100000758301 [0,2,0,0,0,0|1,0,0]=3 7153 B13R1.696 CCC(C)C(=O)c1ccccc1O 1458a_100015234032_100000758301 [0,2,0,0,0,0|1,0,0]=3 7154 B13R1.696 CCC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000758301 [0,2,0,0,0,0|1,0,0]=3 7155 B13R1.696 CCN(C)C(=O)c1ccccc1Br 11a_100000225621_100000188424 [0,2,0,0,0,0|1,0,0]=3 7156 B13R1.696 CCN(C)C(=O)c1ccccc1Br 1626a_100000225621_100000188424 [0,2,0,0,0,0|1,0,0]=3 7157 B13R1.696 CCN(C)C(=O)c1ccccc1Br 240690a_100000225621_100000188424 [0,2,0,0,0,0|1,0,0]=3 7158 B13R1.696 CCN(C)C(=O)c1ccccc1Br 527a_100000225621_100000188424 [0,2,0,0,0,0|1,0,0]=3 7159 B13R1.696 CCN(C)C(=O)c1ccccc1C 11a_100000225621_100000212026 [0,2,0,0,0,0|1,0,0]=3 7160 B13R1.696 CCN(C)C(=O)c1ccccc1C 1626a_100000225621_100000212026 [0,2,0,0,0,0|1,0,0]=3 7161 B13R1.696 CCN(C)C(=O)c1ccccc1C 240690a_100000225621_100000212026 [0,2,0,0,0,0|1,0,0]=3 7162 B13R1.696 CCN(C)C(=O)c1ccccc1C 527a_100000225621_100000212026 [0,2,0,0,0,0|1,0,0]=3 7163 B13R1.696 CCN(C)C(=O)c1ccccc1Cl 11a_100000225621_100000185844 [0,2,0,0,0,0|1,0,0]=3 7164 B13R1.696 CCN(C)C(=O)c1ccccc1Cl 1626a_100000225621_100000185844 [0,2,0,0,0,0|1,0,0]=3 7165 B13R1.696 CCN(C)C(=O)c1ccccc1Cl 240690a_100000225621_100000185844 [0,2,0,0,0,0|1,0,0]=3 7166 B13R1.696 CCN(C)C(=O)c1ccccc1Cl 527a_100000225621_100000185844 [0,2,0,0,0,0|1,0,0]=3 7167 B13R1.696 CCN(C)C(=O)c1ccccc1F 11a_100000225621_100000188656 [0,2,0,0,0,0|1,0,0]=3 7168 B13R1.696 CCN(C)C(=O)c1ccccc1F 1626a_100000225621_100000188656 [0,2,0,0,0,0|1,0,0]=3 7169 B13R1.696 CCN(C)C(=O)c1ccccc1F 240690a_100000225621_100000188656 [0,2,0,0,0,0|1,0,0]=3 7170 B13R1.696 CCN(C)C(=O)c1ccccc1F 527a_100000225621_100000188656 [0,2,0,0,0,0|1,0,0]=3 7171 B13R1.696 CCN(C)C(=O)c1ccccc1I 11a_100000225621_100000187884 [0,2,0,0,0,0|1,0,0]=3 7172 B13R1.696 CCN(C)C(=O)c1ccccc1I 1626a_100000225621_100000187884 [0,2,0,0,0,0|1,0,0]=3 7173 B13R1.696 CCN(C)C(=O)c1ccccc1I 240690a_100000225621_100000187884 [0,2,0,0,0,0|1,0,0]=3 7174 B13R1.696 CCN(C)C(=O)c1ccccc1I 527a_100000225621_100000187884 [0,2,0,0,0,0|1,0,0]=3 7175 B13R1.696 CCN(C)C(=O)c1ccccc1O 240690a_100000225621_100015234032 [0,2,0,0,0,0|1,0,0]=3 7176 B13R1.696 CCN(C)C(=O)c1ccccc1[O-] 1626a_100000225621_100009911694 [0,2,0,0,0,0|1,0,0]=3 7177 B13R1.696 CCN(C)C(=O)c1ccccc1[O-] 240690a_100000225621_100009911694 [0,2,0,0,0,0|1,0,0]=3 7178 B13R1.696 CCN(C)C(=O)c1ccccc1[O-] 527a_100000225621_100009911694 [0,2,0,0,0,0|1,0,0]=3 7179 B13R1.696 CCN(C)C(=O)c1cccnc1O 271570a_203496583355_200011239097 [0,2,0,0,0,0|2,0,0]=4 7180 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 2230a_106832991635_100010255250 [0,2,0,0,0,0|2,0,0]=4 7181 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 7a_106832991635_100010255250 [0,2,0,0,0,0|2,0,0]=4 7182 B13R1.696 COC(=O)C(=O)c1ccccc1O 271570a_203496583355_200010133017 [0,2,0,0,0,0|2,0,0]=4 7183 B13R1.696 CON(C)C(=O)c1ccccc1O 271570a_203496583355_100000153843 [0,2,0,0,0,0|2,0,0]=4 7184 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_100010255250_200000210301 [0,2,0,0,0,0|2,0,0]=4 7185 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_200000210301_100010255250 [0,2,0,0,0,0|2,0,0]=4 7186 B13R1.708 CCN(C)S(=O)(=O)c1ccccc1 270084a_100000225621_100000210345 [0,2,0,0,0,0|2,0,0]=4 7187 B13R1.708 CCN(C)S(=O)(=O)c1ccccc1 274078a_100000225621_100000210345 [0,2,0,0,0,0|2,0,0]=4 7188 B13R1.708 CCN(C)S(=O)(=O)c1ccccc1 40a_100000225621_100000032697 [0,2,0,0,0,0|2,0,0]=4 7189 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 270084a_100138425928_100000210345 [0,2,0,0,0,0|2,0,0]=4 7190 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 274078a_100138425928_100000210345 [0,2,0,0,0,0|2,0,0]=4 7191 B13R1.347 CC(C)OC(C)(C)c1ccccc1 7a_100000694644_100000210206 [0,2,0,0,0,0|1,0,1]=4 7192 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br 270084a_100015525214_100000184729 [0,2,0,0,0,0|2,0,0]=4 7193 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br 274078a_100015525214_100000184729 [0,2,0,0,0,0|2,0,0]=4 7194 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br 40a_100015525214_100010380725 [0,2,0,0,0,0|2,0,0]=4 7195 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 270084a_100015525214_100000750907 [0,2,0,0,0,0|2,0,0]=4 7196 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 274078a_100015525214_100000750907 [0,2,0,0,0,0|2,0,0]=4 7197 B13R1.2819 CCNS(=O)(=O)c1ccccc1C 40a_100015525214_100010269479 [0,2,0,0,0,0|2,0,0]=4 7198 B13R1.2819 CCNS(=O)(=O)c1ccccc1Cl 270084a_100015525214_100000184199 [0,2,0,0,0,0|2,0,0]=4 7199 B13R1.2819 CCNS(=O)(=O)c1ccccc1Cl 274078a_100015525214_100000184199 [0,2,0,0,0,0|2,0,0]=4 7200 B13R1.2819 CCNS(=O)(=O)c1ccccc1F 270084a_100015525214_100000184916 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.2819 CCNS(=O)(=O)c1ccccc1F 274078a_100015525214_100000184916 [0,2,0,0,0,0|2,0,0]=4 7202 B13R1.2819 CCNS(=O)(=O)c1ccccc1I 270084a_100015525214_100011191325 [0,2,0,0,0,0|2,0,0]=4 7203 B13R1.2819 CCNS(=O)(=O)c1ccccc1I 274078a_100015525214_100011191325 [0,2,0,0,0,0|2,0,0]=4 7204 B13R1.2819 CCNS(=O)(=O)c1ccccc1N 40a_100015525214_100000703237 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.2819 CCNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165236 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.2819 CCOC(C)(C)c1ccccc1Br 34a_100011346021_100000210202 [0,2,0,0,0,0|1,0,1]=4 7207 B13R1.2819 CCOC(C)(C)c1ccccc1Br 7a_100011346021_100000210202 [0,2,0,0,0,0|1,0,1]=4 7208 B13R1.2819 CCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000210202 [0,2,0,0,0,0|1,0,1]=4 7209 B13R1.2819 CCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000210202 [0,2,0,0,0,0|1,0,1]=4 7210 B13R1.2819 CCOC(C)(C)c1ccccc1F 34a_100011345963_100000210202 [0,2,0,0,0,0|1,0,1]=4 7211 B13R1.2819 CCOC(C)(C)c1ccccc1F 7a_100011345963_100000210202 [0,2,0,0,0,0|1,0,1]=4 7212 B13R1.2819 CCOC(C)(C)c1ccccc1I 34a_100010296449_100000210202 [0,2,0,0,0,0|1,0,1]=4 7213 B13R1.2819 CCOC(C)(C)c1ccccc1I 7a_100010296449_100000210202 [0,2,0,0,0,0|1,0,1]=4 7214 B13R1.2819 CCOC(C)(C)c1ccccc1N 7a_100000081495_100000210202 [0,2,0,0,0,0|1,0,1]=4 7215 B13R1.2819 CCOC(F)(F)c1ccccc1F 34a_100121572206_100000070671 [0,2,0,0,0,0|1,0,1]=4 7216 B13R1.201 C=C(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000748629 [0,2,0,0,0,0|1,0,1]=4 7217 B13R1.201 C=C(C)CC(=O)c1ccccc1C 1458a_100000212026_100000748629 [0,2,0,0,0,0|1,0,1]=4 7218 B13R1.201 C=C(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000748629 [0,2,0,0,0,0|1,0,1]=4 7219 B13R1.201 C=C(C)CC(=O)c1ccccc1F 1458a_100000188656_100000748629 [0,2,0,0,0,0|1,0,1]=4 7220 B13R1.201 C=C(C)CC(=O)c1ccccc1I 1458a_100000187884_100000748629 [0,2,0,0,0,0|1,0,1]=4 7221 B13R1.201 C=C(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748629 [0,2,0,0,0,0|1,0,1]=4 7222 B13R1.201 C=C(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000748629 [0,2,0,0,0,0|1,0,1]=4 7223 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,2,0,0,0,0|1,0,1]=4 7224 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,2,0,0,0,0|1,0,1]=4 7225 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,2,0,0,0,0|1,0,1]=4 7226 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,2,0,0,0,0|1,0,1]=4 7227 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,2,0,0,0,0|1,0,1]=4 7228 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,2,0,0,0,0|1,0,1]=4 7229 B13R1.201 CC(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000210624 [0,2,0,0,0,0|1,0,0]=3 7230 B13R1.201 CC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000210624 [0,2,0,0,0,0|1,0,0]=3 7231 B13R1.201 CC(C)CC(=O)c1ccccc1F 1458a_100000188656_100000210624 [0,2,0,0,0,0|1,0,0]=3 7232 B13R1.201 CC(C)CC(=O)c1ccccc1I 1458a_100000187884_100000210624 [0,2,0,0,0,0|1,0,0]=3 7233 B13R1.201 CC(C)CC(=O)c1ccccc1O 1458a_100015234032_100000210624 [0,2,0,0,0,0|1,0,0]=3 7234 B13R1.201 CC(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000210624 [0,2,0,0,0,0|1,0,0]=3 7235 B13R1.201 CC(C)NC(=O)c1ccccc1Br 11a_100138425928_100000188424 [0,2,0,0,0,0|1,0,0]=3 7236 B13R1.201 CC(C)NC(=O)c1ccccc1Br 1626a_100138425928_100000188424 [0,2,0,0,0,0|1,0,0]=3 7237 B13R1.201 CC(C)NC(=O)c1ccccc1Br 240690a_100138425928_100000188424 [0,2,0,0,0,0|1,0,0]=3 7238 B13R1.201 CC(C)NC(=O)c1ccccc1Br 527a_100138425928_100000188424 [0,2,0,0,0,0|1,0,0]=3 7239 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 11a_100138425928_100000185844 [0,2,0,0,0,0|1,0,0]=3 7240 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 1626a_100138425928_100000185844 [0,2,0,0,0,0|1,0,0]=3 7241 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 240690a_100138425928_100000185844 [0,2,0,0,0,0|1,0,0]=3 7242 B13R1.201 CC(C)NC(=O)c1ccccc1Cl 527a_100138425928_100000185844 [0,2,0,0,0,0|1,0,0]=3 7243 B13R1.201 CC(C)NC(=O)c1ccccc1F 11a_100138425928_100000188656 [0,2,0,0,0,0|1,0,0]=3 7244 B13R1.201 CC(C)NC(=O)c1ccccc1F 1626a_100138425928_100000188656 [0,2,0,0,0,0|1,0,0]=3 7245 B13R1.201 CC(C)NC(=O)c1ccccc1F 240690a_100138425928_100000188656 [0,2,0,0,0,0|1,0,0]=3 7246 B13R1.201 CC(C)NC(=O)c1ccccc1F 527a_100138425928_100000188656 [0,2,0,0,0,0|1,0,0]=3 7247 B13R1.201 CC(C)NC(=O)c1ccccc1I 11a_100138425928_100000187884 [0,2,0,0,0,0|1,0,0]=3 7248 B13R1.201 CC(C)NC(=O)c1ccccc1I 1626a_100138425928_100000187884 [0,2,0,0,0,0|1,0,0]=3 7249 B13R1.201 CC(C)NC(=O)c1ccccc1I 240690a_100138425928_100000187884 [0,2,0,0,0,0|1,0,0]=3 7250 B13R1.201 CC(C)NC(=O)c1ccccc1I 527a_100138425928_100000187884 [0,2,0,0,0,0|1,0,0]=3 7251 B13R1.201 CC(C)NC(=O)c1ccccc1O 240690a_100138425928_100015234032 [0,2,0,0,0,0|1,0,0]=3 7252 B13R1.201 CC(C)NC(=O)c1ccccc1O 271570a_203496583355_200000152627 [0,2,0,0,0,0|1,0,0]=3 7253 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 1626a_100138425928_100009911694 [0,2,0,0,0,0|1,0,0]=3 7254 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 240690a_100138425928_100009911694 [0,2,0,0,0,0|1,0,0]=3 7255 B13R1.201 CC(C)NC(=O)c1ccccc1[O-] 527a_100138425928_100009911694 [0,2,0,0,0,0|1,0,0]=3 7256 B13R1.201 CC(C)OC(=O)c1ccccc1O 271570a_203496583355_100000169877 [0,2,0,0,0,0|0,0,0]=2 7257 B13R1.201 CC(C)OC(C)c1ccccc1Br 34a_100000702211_100000210206 [0,2,0,0,0,0|1,0,1]=4 7258 B13R1.201 CC(C)OC(C)c1ccccc1Br 7a_100000702211_100000210206 [0,2,0,0,0,0|1,0,1]=4 7259 B13R1.201 CC(C)OC(C)c1ccccc1Cl 34a_100000740796_100000210206 [0,2,0,0,0,0|1,0,1]=4 7260 B13R1.201 CC(C)OC(C)c1ccccc1Cl 7a_100000740796_100000210206 [0,2,0,0,0,0|1,0,1]=4 7261 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000212225_200000741388 [0,2,0,0,0,0|1,0,1]=4 7262 B13R1.201 CC(C)OC(C)c1ccccc1F 34a_100000697922_100000210206 [0,2,0,0,0,0|1,0,1]=4 7263 B13R1.201 CC(C)OC(C)c1ccccc1F 7a_100000697922_100000210206 [0,2,0,0,0,0|1,0,1]=4 7264 B13R1.201 CC(C)OC(C)c1ccccc1N 7a_100011405641_100000210206 [0,2,0,0,0,0|1,0,1]=4 7265 B13R1.201 CC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218427 [0,2,0,0,0,0|1,0,0]=3 7266 B13R1.201 CC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218427 [0,2,0,0,0,0|1,0,0]=3 7267 B13R1.201 CC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218427 [0,2,0,0,0,0|1,0,0]=3 7268 B13R1.201 CC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218427 [0,2,0,0,0,0|1,0,0]=3 7269 B13R1.201 CC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218427 [0,2,0,0,0,0|1,0,0]=3 7270 B13R1.201 CC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218427 [0,2,0,0,0,0|1,0,0]=3 7271 B13R1.201 CN(C)CC(=O)c1ccccc1Br 269982a_100102631434_100000199116 [0,2,0,0,0,0|2,0,0]=4 7272 B13R1.201 CN(C)CC(=O)c1ccccc1Cl 269982a_100102631434_100000211432 [0,2,0,0,0,0|2,0,0]=4 7273 B13R1.201 CN(C)CC(=O)c1ccccc1F 269982a_100102631434_100000204681 [0,2,0,0,0,0|2,0,0]=4 7274 B13R1.201 CN(C)CC(=O)c1ccccc1O 269982a_100102631434_100000188908 [0,2,0,0,0,0|2,0,0]=4 7275 B13R1.201 Cc1ccccc1C(=O)CC(C)C 1458a_100000212026_100000210624 [0,2,0,0,0,0|1,0,0]=3 7276 B13R1.201 Cc1ccccc1C(=O)CC(C)O 1458a_100000212026_100011218427 [0,2,0,0,0,0|1,0,0]=3 7277 B13R1.201 Cc1ccccc1C(=O)CC(F)F 1458a_100000212026_100011934356 [0,2,0,0,0,0|2,0,0]=4 7278 B13R1.201 Cc1ccccc1C(=O)CN(C)C 2230a_100102631434_100000741374 [0,2,0,0,0,0|2,0,0]=4 7279 B13R1.201 Cc1ccccc1C(=O)CN(C)C 269982a_100102631434_100000741374 [0,2,0,0,0,0|2,0,0]=4 7280 B13R1.201 Cc1ccccc1C(=O)NC(C)C 11a_100138425928_100000212026 [0,2,0,0,0,0|1,0,0]=3 7281 B13R1.201 Cc1ccccc1C(=O)NC(C)C 1626a_100138425928_100000212026 [0,2,0,0,0,0|1,0,0]=3 7282 B13R1.201 Cc1ccccc1C(=O)NC(C)C 240690a_100138425928_100000212026 [0,2,0,0,0,0|1,0,0]=3 7283 B13R1.201 Cc1ccccc1C(=O)NC(C)C 527a_100138425928_100000212026 [0,2,0,0,0,0|1,0,0]=3 7284 B13R1.201 Cc1ccccc1C(C)OC(C)C 34a_100000742021_100000210206 [0,2,0,0,0,0|1,0,1]=4 7285 B13R1.201 Cc1ccccc1C(C)OC(C)C 7a_100000742021_100000210206 [0,2,0,0,0,0|1,0,1]=4 7286 B13R1.201 O=C(CC(F)F)c1ccccc1Br 1458a_100000188424_100011934356 [0,2,0,0,0,0|2,0,0]=4 7287 B13R1.201 O=C(CC(F)F)c1ccccc1Cl 1458a_100000185844_100011934356 [0,2,0,0,0,0|2,0,0]=4 7288 B13R1.201 O=C(CC(F)F)c1ccccc1F 1458a_100000188656_100011934356 [0,2,0,0,0,0|2,0,0]=4 7289 B13R1.201 O=C(CC(F)F)c1ccccc1I 1458a_100000187884_100011934356 [0,2,0,0,0,0|2,0,0]=4 7290 B13R1.201 O=C(CC(F)F)c1ccccc1O 1458a_100015234032_100011934356 [0,2,0,0,0,0|2,0,0]=4 7291 B13R1.201 O=C(CC(F)F)c1ccccc1[O-] 1458a_100009911694_100011934356 [0,2,0,0,0,0|2,0,0]=4 7292 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 11a_100000715429_100000185807 [0,2,0,0,0,0|1,0,0]=3 7293 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 1626a_100000715429_100000185807 [0,2,0,0,0,0|1,0,0]=3 7294 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 240690a_100000715429_100000185807 [0,2,0,0,0,0|1,0,0]=3 7295 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 527a_100000715429_100000185807 [0,2,0,0,0,0|1,0,0]=3 7296 B13R1.352 CC(OC(C)(C)C)c1ccccc1 34a_100015890283_100000211855 [0,2,0,0,0,0|1,0,1]=4 7297 B13R1.352 CC(OC(C)(C)C)c1ccccc1 7a_100015890283_100000230085 [0,2,0,0,0,0|1,0,1]=4 7298 B13R1.352 CS(=O)(=O)NC(=O)c1ccccc1 2740a_100000171171_100000185807 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.352 C[C@@H](OC(C)(C)C)c1ccccc1 34a_100000761318_100000210625 [0,2,0,0,0,0|1,0,1]=4 7300 B13R1.352 C[Si](C)(C)CC(=O)c1ccccc1 1458a_100000185807_100000233785 [0,2,0,0,0,0|1,1,0]=4 7301 B13R1.464 C#Cc1ccccc1C(=O)CCC 1458a_100011243808_100000210303 [0,2,0,0,0,0|1,0,0]=3 7302 B13R1.464 C#Cc1ccccc1C(=O)CCF 1458a_100011243808_100011217306 [0,2,0,0,0,0|2,0,0]=4 7303 B13R1.464 C#Cc1ccccc1C(=O)CCO 1458a_100011243808_100000211926 [0,2,0,0,0,0|2,0,0]=4 7304 B13R1.464 C#Cc1ccccc1C(=O)NCC 527a_100015525214_100011243808 [0,2,0,0,0,0|1,0,0]=3 7305 B13R1.464 C#Cc1ccccc1C(=O)NNC 22a_100016993582_100011243808 [0,2,0,0,0,0|2,0,0]=4 7306 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000036168_200000210301 [0,2,0,0,0,0|0,0,2]=4 7307 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000210301_200000036168 [0,2,0,0,0,0|0,0,2]=4 7308 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200000036168_200025704644 [0,2,0,0,0,0|0,0,2]=4 7309 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000036168 [0,2,0,0,0,0|0,0,2]=4 7310 B13R1.464 C=Cc1ccccc1C(=O)CCC 1458a_100011830265_100000210303 [0,2,0,0,0,0|1,0,0]=3 7311 B13R1.464 C=Cc1ccccc1C(=O)CCF 1458a_100011830265_100011217306 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.464 C=Cc1ccccc1C(=O)CCO 1458a_100011830265_100000211926 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.464 C=Cc1ccccc1C(=O)NCC 271570a_100011290941_200000155173 [0,2,0,0,0,0|1,0,0]=3 7314 B13R1.464 C=Cc1ccccc1C(=O)NNC 22a_100016993582_100011830265 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.464 C=Cc1ccccc1C(=O)OCC 271570a_100011290941_100000169879 [0,2,0,0,0,0|0,0,0]=2 7316 B13R1.464 C=Cc1cccnc1C(=O)OCC 271570a_100011290941_100012351660 [0,2,0,0,0,0|1,0,0]=3 7317 B13R1.464 C=Cc1ccncc1C(=O)OCC 271570a_100011290941_100016987518 [0,2,0,0,0,0|1,0,0]=3 7318 B13R1.464 C=Cc1cnccc1C(=O)OCC 271570a_100011290941_100010238393 [0,2,0,0,0,0|1,0,0]=3 7319 B13R1.464 C=Cc1cncnc1C(=O)OCC 271570a_100011290941_100012344254 [0,2,0,0,0,0|2,0,0]=4 7320 B13R1.464 C=Cc1ncccc1C(=O)NCC 271570a_100011290941_100000160120 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.464 C=Cc1ncccc1C(=O)OCC 271570a_100011290941_100000170124 [0,2,0,0,0,0|1,0,0]=3 7322 B13R1.464 C=Cc1ncncc1C(=O)OCC 271570a_100011290941_100011998183 [0,2,0,0,0,0|2,0,0]=4 7323 B13R1.464 CCCC(=O)c1ccccc1C#N 1458a_100000742908_100000210303 [0,2,0,0,0,0|1,0,0]=3 7324 B13R1.464 CCCC(=O)c1ccccc1CC 1458a_100000689120_100000210303 [0,2,0,0,0,0|1,0,0]=3 7325 B13R1.464 CCCC(=O)c1ccccc1CO 1458a_100011301526_100000210303 [0,2,0,0,0,0|1,0,0]=3 7326 B13R1.464 CCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210303 [0,2,0,0,0,0|1,0,0]=3 7327 B13R1.464 CCCC(=O)c1ccccc1OC 1458a_100000185835_100000210303 [0,2,0,0,0,0|1,0,0]=3 7328 B13R1.464 CCCC(=O)c1ccccc1OC 34a_200000073644_200000210301 [0,2,0,0,0,0|1,0,0]=3 7329 B13R1.464 CCCC(=O)c1ccccc1OC 7a_200000073644_200000210301 [0,2,0,0,0,0|1,0,0]=3 7330 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 34a_200000073644_200025704644 [0,2,0,0,0,0|1,0,0]=3 7331 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 7a_200000073644_200025704644 [0,2,0,0,0,0|1,0,0]=3 7332 B13R1.464 CCCC(=O)c1ccccc1SC 1458a_100000183967_100000210303 [0,2,0,0,0,0|1,0,0]=3 7333 B13R1.464 CCNC(=O)c1ccccc1C#N 11a_100015525214_100000742908 [0,2,0,0,0,0|1,0,0]=3 7334 B13R1.464 CCNC(=O)c1ccccc1C#N 527a_100015525214_100000742908 [0,2,0,0,0,0|1,0,0]=3 7335 B13R1.464 CCNC(=O)c1ccccc1CC 11a_100015525214_100000689120 [0,2,0,0,0,0|1,0,0]=3 7336 B13R1.464 CCNC(=O)c1ccccc1CC 240690a_100015525214_100000689120 [0,2,0,0,0,0|1,0,0]=3 7337 B13R1.464 CCNC(=O)c1ccccc1CC 527a_100015525214_100000689120 [0,2,0,0,0,0|1,0,0]=3 7338 B13R1.464 CCNC(=O)c1ccccc1I=O 240690a_100015525214_100000032414 [0,2,0,0,0,0|1,0,0]=3 7339 B13R1.464 CCNC(=O)c1ccccc1I=O 527a_100015525214_100000032414 [0,2,0,0,0,0|1,0,0]=3 7340 B13R1.464 CCNC(=O)c1ccccc1NC 27a_100102657272_200000155173 [0,2,0,0,0,0|1,0,0]=3 7341 B13R1.464 CCNC(=O)c1ccccc1NC 34a_100000205978_200000210301 [0,2,0,0,0,0|1,0,0]=3 7342 B13R1.464 CCNC(=O)c1ccccc1N[13CH3] 34a_100000205978_200025704644 [0,2,0,0,0,0|1,0,0]=3 7343 B13R1.464 CCNC(=O)c1ccccc1OC 11a_100015525214_100000185835 [0,2,0,0,0,0|1,0,0]=3 7344 B13R1.464 CCNC(=O)c1ccccc1OC 240690a_100015525214_100000185835 [0,2,0,0,0,0|1,0,0]=3 7345 B13R1.464 CCNC(=O)c1ccccc1OC 34a_100000192205_200000210301 [0,2,0,0,0,0|1,0,0]=3 7346 B13R1.464 CCNC(=O)c1ccccc1OC 527a_100015525214_100000185835 [0,2,0,0,0,0|1,0,0]=3 7347 B13R1.464 CCNC(=O)c1ccccc1OC 7a_100000192205_200000210301 [0,2,0,0,0,0|1,0,0]=3 7348 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 34a_100000192205_200025704644 [0,2,0,0,0,0|1,0,0]=3 7349 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 7a_100000192205_200025704644 [0,2,0,0,0,0|1,0,0]=3 7350 B13R1.464 CCNC(=O)c1ccccc1SC 11a_100015525214_100000183967 [0,2,0,0,0,0|1,0,0]=3 7351 B13R1.464 CCNC(=O)c1ccccc1SC 240690a_100015525214_100000183967 [0,2,0,0,0,0|1,0,0]=3 7352 B13R1.464 CCNC(=O)c1ccccc1SC 527a_100015525214_100000183967 [0,2,0,0,0,0|1,0,0]=3 7353 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000155173_200000210301 [0,2,0,0,0,0|1,0,0]=3 7354 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000210301_200000155173 [0,2,0,0,0,0|1,0,0]=3 7355 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200000155173_200025704644 [0,2,0,0,0,0|1,0,0]=3 7356 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000155173 [0,2,0,0,0,0|1,0,0]=3 7357 B13R1.464 CCNC(=O)c1cccnc1NC 27a_100102657272_100000160120 [0,2,0,0,0,0|2,0,0]=4 7358 B13R1.464 CCNC(=O)c1cccnc1SC 62a_200000210301_100000160120 [0,2,0,0,0,0|2,0,0]=4 7359 B13R1.464 CCNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000160120 [0,2,0,0,0,0|2,0,0]=4 7360 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [0,2,0,0,0,0|0,0,0]=2 7361 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [0,2,0,0,0,0|0,0,0]=2 7362 B13R1.464 CCOC(=O)c1ccccc1SC 62a_100000169876_200000210301 [0,2,0,0,0,0|0,0,0]=2 7363 B13R1.464 CCOC(=O)c1ccccc1SC 62a_200000210301_100000169879 [0,2,0,0,0,0|0,0,0]=2 7364 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_100000169876_200025704644 [0,2,0,0,0,0|0,0,0]=2 7365 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000169879 [0,2,0,0,0,0|0,0,0]=2 7366 B13R1.464 CCOC(=O)c1cccnc1NC 27a_100102657272_100000170124 [0,2,0,0,0,0|1,0,0]=3 7367 B13R1.464 CCOC(=O)c1cccnc1SC 62a_100011291640_200000210301 [0,2,0,0,0,0|1,0,0]=3 7368 B13R1.464 CCOC(=O)c1cccnc1SC 62a_200000210301_100000170124 [0,2,0,0,0,0|1,0,0]=3 7369 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_100011291640_200025704644 [0,2,0,0,0,0|1,0,0]=3 7370 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000170124 [0,2,0,0,0,0|1,0,0]=3 7371 B13R1.464 CCOC(=O)c1ccncc1SC 62a_100010238393_200000210301 [0,2,0,0,0,0|1,0,0]=3 7372 B13R1.464 CCOC(=O)c1ccncc1SC 62a_200000210301_100010238393 [0,2,0,0,0,0|1,0,0]=3 7373 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_100010238393_200025704644 [0,2,0,0,0,0|1,0,0]=3 7374 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010238393 [0,2,0,0,0,0|1,0,0]=3 7375 B13R1.464 CCOC(=O)c1cnccc1NC 27a_100102657272_100016987518 [0,2,0,0,0,0|1,0,0]=3 7376 B13R1.464 CCOC(=O)c1cnccc1SC 62a_200000210301_100016987518 [0,2,0,0,0,0|1,0,0]=3 7377 B13R1.464 CCOC(=O)c1cnccc1S[13CH3] 62a_200025704644_100016987518 [0,2,0,0,0,0|1,0,0]=3 7378 B13R1.464 CCOC(=O)c1cncnc1NC 27a_100102657272_100011998183 [0,2,0,0,0,0|2,0,0]=4 7379 B13R1.464 CCOC(=O)c1cncnc1SC 62a_200000210301_100011998183 [0,2,0,0,0,0|2,0,0]=4 7380 B13R1.464 CCOC(=O)c1cncnc1S[13CH3] 62a_200025704644_100011998183 [0,2,0,0,0,0|2,0,0]=4 7381 B13R1.464 CCOC(=O)c1ncccc1OC 7a_200011376064_200000210301 [0,2,0,0,0,0|1,0,0]=3 7382 B13R1.464 CCOC(=O)c1ncccc1O[13CH3] 7a_200011376064_200025704644 [0,2,0,0,0,0|1,0,0]=3 7383 B13R1.464 CCOC(=O)c1ncccc1SC 62a_100012351660_200000210301 [0,2,0,0,0,0|1,0,0]=3 7384 B13R1.464 CCOC(=O)c1ncccc1SC 62a_200000210301_100012351660 [0,2,0,0,0,0|1,0,0]=3 7385 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_100012351660_200025704644 [0,2,0,0,0,0|1,0,0]=3 7386 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012351660 [0,2,0,0,0,0|1,0,0]=3 7387 B13R1.464 CCOC(=O)c1nccnc1NC 27a_100102657272_100000085455 [0,2,0,0,0,0|2,0,0]=4 7388 B13R1.464 CCOC(=O)c1nccnc1SC 62a_200000210301_100000085455 [0,2,0,0,0,0|2,0,0]=4 7389 B13R1.464 CCOC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000085455 [0,2,0,0,0,0|2,0,0]=4 7390 B13R1.464 CCOC(=O)c1ncncc1NC 27a_100102657272_100012344254 [0,2,0,0,0,0|2,0,0]=4 7391 B13R1.464 CCOC(=O)c1ncncc1SC 62a_100012344254_200000210301 [0,2,0,0,0,0|2,0,0]=4 7392 B13R1.464 CCOC(=O)c1ncncc1SC 62a_200000210301_100012344254 [0,2,0,0,0,0|2,0,0]=4 7393 B13R1.464 CCOC(=O)c1ncncc1S[13CH3] 62a_100012344254_200025704644 [0,2,0,0,0,0|2,0,0]=4 7394 B13R1.464 CCOC(=O)c1ncncc1S[13CH3] 62a_200025704644_100012344254 [0,2,0,0,0,0|2,0,0]=4 7395 B13R1.464 CCOC(C)c1ccccc1OC 7a_100000742714_100000210202 [0,2,0,0,0,0|1,0,1]=4 7396 B13R1.464 CCc1ccccc1C(=O)CCF 1458a_100000689120_100011217306 [0,2,0,0,0,0|2,0,0]=4 7397 B13R1.464 CCc1ccccc1C(=O)CCO 1458a_100000689120_100000211926 [0,2,0,0,0,0|2,0,0]=4 7398 B13R1.464 CCc1ccccc1C(=O)NNC 22a_100016993582_100000689120 [0,2,0,0,0,0|2,0,0]=4 7399 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [0,2,0,0,0,0|2,0,0]=4 7400 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [0,2,0,0,0,0|2,0,0]=4 7401 B13R1.464 CNNC(=O)c1ccccc1C#N 22a_100016993582_100000742908 [0,2,0,0,0,0|2,0,0]=4 7402 B13R1.464 CNNC(=O)c1ccccc1I=O 22a_100016993582_100000032414 [0,2,0,0,0,0|2,0,0]=4 7403 B13R1.464 CNNC(=O)c1ccccc1OC 22a_100016993582_100000185835 [0,2,0,0,0,0|2,0,0]=4 7404 B13R1.464 CNNC(=O)c1ccccc1SC 22a_100016993582_100000183967 [0,2,0,0,0,0|2,0,0]=4 7405 B13R1.464 CNc1ccccc1C(=O)NOC 34a_100011599994_200000210301 [0,2,0,0,0,0|2,0,0]=4 7406 B13R1.464 COCC(=O)c1ccccc1OC 34a_100138415774_100000195505 [0,2,0,0,0,0|2,0,0]=4 7407 B13R1.464 CONC(=O)c1ccccc1N[13CH3] 34a_100011599994_200025704644 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.464 COc1ccccc1C(=O)CCCl 7a_100009873196_200000210301 [0,2,0,0,0,0|2,0,0]=4 7409 B13R1.464 COc1ccccc1C(=O)CCF 1458a_100000185835_100011217306 [0,2,0,0,0,0|2,0,0]=4 7410 B13R1.464 COc1ccccc1C(=O)CCO 1458a_100000185835_100000211926 [0,2,0,0,0,0|2,0,0]=4 7411 B13R1.464 COc1ccccc1C(=O)CSC 62a_100000195505_200000210301 [0,2,0,0,0,0|2,0,0]=4 7412 B13R1.464 COc1ccccc1C(=O)CS[13CH3] 62a_100000195505_200025704644 [0,2,0,0,0,0|2,0,0]=4 7413 B13R1.464 CSc1ccccc1C(=O)CCF 1458a_100000183967_100011217306 [0,2,0,0,0,0|2,0,0]=4 7414 B13R1.464 CSc1ccccc1C(=O)CCO 1458a_100000183967_100000211926 [0,2,0,0,0,0|2,0,0]=4 7415 B13R1.464 N#Cc1ccccc1C(=O)CCF 1458a_100000742908_100011217306 [0,2,0,0,0,0|2,0,0]=4 7416 B13R1.464 N#Cc1ccccc1C(=O)CCO 1458a_100000742908_100000211926 [0,2,0,0,0,0|2,0,0]=4 7417 B13R1.464 O=C(CCF)c1ccccc1CO 1458a_100011301526_100011217306 [0,2,0,0,0,0|2,0,0]=4 7418 B13R1.464 O=C(CCO)c1ccccc1CO 1458a_100011301526_100000211926 [0,2,0,0,0,0|2,0,0]=4 7419 B13R1.464 O=Ic1ccccc1C(=O)CCF 1458a_100000032414_100011217306 [0,2,0,0,0,0|2,0,0]=4 7420 B13R1.464 O=Ic1ccccc1C(=O)CCO 1458a_100000032414_100000211926 [0,2,0,0,0,0|2,0,0]=4 7421 B13R1.464 [13CH3]Oc1ccccc1C(=O)CCCl 7a_100009873196_200025704644 [0,2,0,0,0,0|2,0,0]=4 7422 B13R1.4453 CCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210303 [0,2,0,0,0,0|1,0,0]=3 7423 B13R1.4453 CCCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210303 [0,2,0,0,0,0|1,0,0]=3 7424 B13R1.4453 CCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210303 [0,2,0,0,0,0|1,0,0]=3 7425 B13R1.4453 CCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210303 [0,2,0,0,0,0|1,0,0]=3 7426 B13R1.4453 CCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210303 [0,2,0,0,0,0|1,0,0]=3 7427 B13R1.4453 CCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210303 [0,2,0,0,0,0|1,0,0]=3 7428 B13R1.4453 CCCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210303 [0,2,0,0,0,0|1,0,0]=3 7429 B13R1.4453 CCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210303 [0,2,0,0,0,0|1,0,0]=3 7430 B13R1.4453 CCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210303 [0,2,0,0,0,0|1,0,0]=3 7431 B13R1.4453 CCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210303 [0,2,0,0,0,0|1,0,0]=3 7432 B13R1.4453 CCCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210303 [0,2,0,0,0,0|1,0,0]=3 7433 B13R1.4453 CCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210303 [0,2,0,0,0,0|1,0,0]=3 7434 B13R1.4453 CCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210303 [0,2,0,0,0,0|1,0,0]=3 7435 B13R1.4453 CCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210303 [0,2,0,0,0,0|1,0,0]=3 7436 B13R1.4453 CCCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210303 [0,2,0,0,0,0|1,0,0]=3 7437 B13R1.4453 CCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210303 [0,2,0,0,0,0|1,0,0]=3 7438 B13R1.4453 CCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210303 [0,2,0,0,0,0|1,0,0]=3 7439 B13R1.4453 CCCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210303 [0,2,0,0,0,0|1,0,0]=3 7440 B13R1.4453 CCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210303 [0,2,0,0,0,0|1,0,0]=3 7441 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br 11a_100015525214_100000690891 [0,2,0,0,0,0|1,0,0]=3 7442 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br 240690a_100015525214_100000690891 [0,2,0,0,0,0|1,0,0]=3 7443 B13R1.4453 CCNC(=O)c1c(cccc1Br)Br 527a_100015525214_100000690891 [0,2,0,0,0,0|1,0,0]=3 7444 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 11a_100015525214_100000701904 [0,2,0,0,0,0|1,0,0]=3 7445 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 240690a_100015525214_100000701904 [0,2,0,0,0,0|1,0,0]=3 7446 B13R1.4453 CCNC(=O)c1c(cccc1Br)C 527a_100015525214_100000701904 [0,2,0,0,0,0|1,0,0]=3 7447 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 11a_100015525214_100011253703 [0,2,0,0,0,0|1,0,0]=3 7448 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 240690a_100015525214_100011253703 [0,2,0,0,0,0|1,0,0]=3 7449 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 527a_100015525214_100011253703 [0,2,0,0,0,0|1,0,0]=3 7450 B13R1.4453 CCNC(=O)c1c(cccc1Br)F 11a_100015525214_100000752694 [0,2,0,0,0,0|1,0,0]=3 7451 B13R1.4453 CCNC(=O)c1c(cccc1Br)F 240690a_100015525214_100000752694 [0,2,0,0,0,0|1,0,0]=3 7452 B13R1.4453 CCNC(=O)c1c(cccc1Br)F 527a_100015525214_100000752694 [0,2,0,0,0,0|1,0,0]=3 7453 B13R1.4453 CCNC(=O)c1c(cccc1Br)O 240690a_100015525214_100011935254 [0,2,0,0,0,0|1,0,0]=3 7454 B13R1.4453 CCNC(=O)c1c(cccc1Br)O 527a_100015525214_100011935254 [0,2,0,0,0,0|1,0,0]=3 7455 B13R1.4453 CCNC(=O)c1c(cccc1C)C 11a_100015525214_100000758298 [0,2,0,0,0,0|1,0,0]=3 7456 B13R1.4453 CCNC(=O)c1c(cccc1C)C 240690a_100015525214_100000758298 [0,2,0,0,0,0|1,0,0]=3 7457 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 11a_100015525214_100000692601 [0,2,0,0,0,0|1,0,0]=3 7458 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 240690a_100015525214_100000692601 [0,2,0,0,0,0|1,0,0]=3 7459 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl 11a_100015525214_100000210656 [0,2,0,0,0,0|1,0,0]=3 7460 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl 240690a_100015525214_100000210656 [0,2,0,0,0,0|1,0,0]=3 7461 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 11a_100015525214_100000210369 [0,2,0,0,0,0|1,0,0]=3 7462 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 240690a_100015525214_100000210369 [0,2,0,0,0,0|1,0,0]=3 7463 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 527a_100015525214_100000210369 [0,2,0,0,0,0|1,0,0]=3 7464 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O 240690a_100015525214_100000745519 [0,2,0,0,0,0|1,0,0]=3 7465 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O 527a_100015525214_100000745519 [0,2,0,0,0,0|1,0,0]=3 7466 B13R1.4453 CCNC(=O)c1c(cccc1F)C 11a_100015525214_100000762013 [0,2,0,0,0,0|1,0,0]=3 7467 B13R1.4453 CCNC(=O)c1c(cccc1F)C 240690a_100015525214_100000762013 [0,2,0,0,0,0|1,0,0]=3 7468 B13R1.4453 CCNC(=O)c1c(cccc1F)C 527a_100015525214_100000762013 [0,2,0,0,0,0|1,0,0]=3 7469 B13R1.4453 CCNC(=O)c1c(cccc1F)F 11a_100015525214_100000210804 [0,2,0,0,0,0|1,0,0]=3 7470 B13R1.4453 CCNC(=O)c1c(cccc1F)F 240690a_100015525214_100000210804 [0,2,0,0,0,0|1,0,0]=3 7471 B13R1.4453 CCNC(=O)c1c(cccc1F)F 527a_100015525214_100000210804 [0,2,0,0,0,0|1,0,0]=3 7472 B13R1.4453 CCNC(=O)c1c(cccc1F)O 527a_100015525214_100000763259 [0,2,0,0,0,0|1,0,0]=3 7473 B13R1.4453 CCNC(=O)c1c(cccc1I)Br 11a_100015525214_100010232521 [0,2,0,0,0,0|1,0,0]=3 7474 B13R1.4453 CCNC(=O)c1c(cccc1I)Br 240690a_100015525214_100010232521 [0,2,0,0,0,0|1,0,0]=3 7475 B13R1.4453 CCNC(=O)c1c(cccc1I)Br 527a_100015525214_100010232521 [0,2,0,0,0,0|1,0,0]=3 7476 B13R1.4453 CCNC(=O)c1c(cccc1I)C 11a_100015525214_100000688020 [0,2,0,0,0,0|1,0,0]=3 7477 B13R1.4453 CCNC(=O)c1c(cccc1I)C 240690a_100015525214_100000688020 [0,2,0,0,0,0|1,0,0]=3 7478 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 11a_100015525214_100000702859 [0,2,0,0,0,0|1,0,0]=3 7479 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 240690a_100015525214_100000702859 [0,2,0,0,0,0|1,0,0]=3 7480 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 527a_100015525214_100000702859 [0,2,0,0,0,0|1,0,0]=3 7481 B13R1.4453 CCNC(=O)c1c(cccc1I)F 11a_100015525214_100000023732 [0,2,0,0,0,0|1,0,0]=3 7482 B13R1.4453 CCNC(=O)c1c(cccc1I)F 240690a_100015525214_100000023732 [0,2,0,0,0,0|1,0,0]=3 7483 B13R1.4453 CCNC(=O)c1c(cccc1O)O 527a_100015525214_100000755285 [0,2,0,0,0,0|1,0,0]=3 7484 B13R1.4453 CCOC(=O)c1c(cccc1F)O 271570a_203496583355_100012357633 [0,2,0,0,0,0|0,0,0]=2 7485 B13R1.4453 CCOC(=O)c1c(ccnc1O)C 271570a_203496583355_100010068243 [0,2,0,0,0,0|1,0,0]=3 7486 B13R1.4453 CCOC(=O)c1c(ncnc1O)C 271570a_203496583355_200010876006 [0,2,0,0,0,0|2,0,0]=4 7487 B13R1.4453 CCOC(C)c1c(cccc1Br)F 34a_100013085324_100000210202 [0,2,0,0,0,0|1,0,1]=4 7488 B13R1.4453 CCOC(C)c1c(cccc1Br)F 7a_100013085324_100000210202 [0,2,0,0,0,0|1,0,1]=4 7489 B13R1.4453 CCOC(C)c1c(cccc1C)C 34a_200000695261_100000210202 [0,2,0,0,0,0|1,0,1]=4 7490 B13R1.4453 CCOC(C)c1c(cccc1C)C 7a_200000695261_100000210202 [0,2,0,0,0,0|1,0,1]=4 7491 B13R1.4453 CCOC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000210202 [0,2,0,0,0,0|1,0,1]=4 7492 B13R1.4453 CCOC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000210202 [0,2,0,0,0,0|1,0,1]=4 7493 B13R1.4453 CCOC(C)c1c(cccc1F)F 34a_100000742607_100000210202 [0,2,0,0,0,0|1,0,1]=4 7494 B13R1.4453 CCOC(C)c1c(cccc1F)F 7a_100000742607_100000210202 [0,2,0,0,0,0|1,0,1]=4 7495 B13R1.4453 CCO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000210202 [0,2,0,0,0,0|1,0,1]=4 7496 B13R1.4453 CCO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000210202 [0,2,0,0,0,0|1,0,1]=4 7497 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 2230a_106832991635_100012340516 [0,2,0,0,0,0|2,0,0]=4 7498 B13R1.4453 CNCC(=O)c1c(cccc1Cl)Cl 34a_100102657272_100012340516 [0,2,0,0,0,0|2,0,0]=4 7499 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 2230a_106832991635_100011219195 [0,2,0,0,0,0|2,0,0]=4 7500 B13R1.4453 CNCC(=O)c1c(cccc1Cl)F 34a_100102657272_100011219195 [0,2,0,0,0,0|2,0,0]=4 7501 B13R1.4453 CNCC(=O)c1c(cccc1F)F 34a_100102657272_100000199083 [0,2,0,0,0,0|2,0,0]=4 7502 B13R1.4453 CNNC(=O)c1c(cccc1Br)Br 22a_100016993582_100000690891 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.4453 CNNC(=O)c1c(cccc1Br)C 22a_100016993582_100000701904 [0,2,0,0,0,0|2,0,0]=4 7504 B13R1.4453 CNNC(=O)c1c(cccc1Br)Cl 22a_100016993582_100011253703 [0,2,0,0,0,0|2,0,0]=4 7505 B13R1.4453 CNNC(=O)c1c(cccc1Br)F 22a_100016993582_100000752694 [0,2,0,0,0,0|2,0,0]=4 7506 B13R1.4453 CNNC(=O)c1c(cccc1Br)O 22a_100016993582_100011935254 [0,2,0,0,0,0|2,0,0]=4 7507 B13R1.4453 CNNC(=O)c1c(cccc1C)C 22a_100016993582_100000758298 [0,2,0,0,0,0|2,0,0]=4 7508 B13R1.4453 CNNC(=O)c1c(cccc1Cl)C 22a_100016993582_100000692601 [0,2,0,0,0,0|2,0,0]=4 7509 B13R1.4453 CNNC(=O)c1c(cccc1Cl)Cl 22a_100016993582_100000210656 [0,2,0,0,0,0|2,0,0]=4 7510 B13R1.4453 CNNC(=O)c1c(cccc1Cl)F 22a_100016993582_100000210369 [0,2,0,0,0,0|2,0,0]=4 7511 B13R1.4453 CNNC(=O)c1c(cccc1Cl)O 22a_100016993582_100000745519 [0,2,0,0,0,0|2,0,0]=4 7512 B13R1.4453 CNNC(=O)c1c(cccc1F)C 22a_100016993582_100000762013 [0,2,0,0,0,0|2,0,0]=4 7513 B13R1.4453 CNNC(=O)c1c(cccc1F)F 22a_100016993582_100000210804 [0,2,0,0,0,0|2,0,0]=4 7514 B13R1.4453 CNNC(=O)c1c(cccc1F)O 22a_100016993582_100000763259 [0,2,0,0,0,0|2,0,0]=4 7515 B13R1.4453 CNNC(=O)c1c(cccc1I)Br 22a_100016993582_100010232521 [0,2,0,0,0,0|2,0,0]=4 7516 B13R1.4453 CNNC(=O)c1c(cccc1I)C 22a_100016993582_100000688020 [0,2,0,0,0,0|2,0,0]=4 7517 B13R1.4453 CNNC(=O)c1c(cccc1I)Cl 22a_100016993582_100000702859 [0,2,0,0,0,0|2,0,0]=4 7518 B13R1.4453 CNNC(=O)c1c(cccc1I)F 22a_100016993582_100000023732 [0,2,0,0,0,0|2,0,0]=4 7519 B13R1.4453 CNNC(=O)c1c(cccc1O)C 22a_100016993582_100011934116 [0,2,0,0,0,0|2,0,0]=4 7520 B13R1.4453 COCC(=O)c1c(cccc1Cl)Cl 34a_100138415774_100012340516 [0,2,0,0,0,0|2,0,0]=4 7521 B13R1.4453 COCC(=O)c1c(cccc1Cl)F 34a_100138415774_100011219195 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.4453 COCC(=O)c1c(cccc1F)F 34a_100138415774_100000199083 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.4453 CSCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_200000210301 [0,2,0,0,0,0|2,0,0]=4 7524 B13R1.4453 CSCC(=O)c1c(cccc1Cl)F 62a_100011219195_200000210301 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.4453 CSCC(=O)c1c(cccc1Cl)F 62a_200000210301_100011219195 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.4453 CSCC(=O)c1c(cccc1F)F 62a_100000199083_200000210301 [0,2,0,0,0,0|2,0,0]=4 7527 B13R1.4453 CSCC(=O)c1c(cccc1F)F 62a_200000210301_100000199083 [0,2,0,0,0,0|2,0,0]=4 7528 B13R1.4453 Cc1cccc(c1C(=O)CCF)Br 1458a_100000701904_100011217306 [0,2,0,0,0,0|2,0,0]=4 7529 B13R1.4453 Cc1cccc(c1C(=O)CCF)C 1458a_100000758298_100011217306 [0,2,0,0,0,0|2,0,0]=4 7530 B13R1.4453 Cc1cccc(c1C(=O)CCF)Cl 1458a_100000692601_100011217306 [0,2,0,0,0,0|2,0,0]=4 7531 B13R1.4453 Cc1cccc(c1C(=O)CCF)F 1458a_100000762013_100011217306 [0,2,0,0,0,0|2,0,0]=4 7532 B13R1.4453 Cc1cccc(c1C(=O)CCF)I 1458a_100000688020_100011217306 [0,2,0,0,0,0|2,0,0]=4 7533 B13R1.4453 Cc1cccc(c1C(=O)CCF)O 1458a_100011934116_100011217306 [0,2,0,0,0,0|2,0,0]=4 7534 B13R1.4453 Cc1cccc(c1C(=O)CCO)Br 1458a_100000701904_100000211926 [0,2,0,0,0,0|2,0,0]=4 7535 B13R1.4453 Cc1cccc(c1C(=O)CCO)C 1458a_100000758298_100000211926 [0,2,0,0,0,0|2,0,0]=4 7536 B13R1.4453 Cc1cccc(c1C(=O)CCO)Cl 1458a_100000692601_100000211926 [0,2,0,0,0,0|2,0,0]=4 7537 B13R1.4453 Cc1cccc(c1C(=O)CCO)F 1458a_100000762013_100000211926 [0,2,0,0,0,0|2,0,0]=4 7538 B13R1.4453 Cc1cccc(c1C(=O)CCO)I 1458a_100000688020_100000211926 [0,2,0,0,0,0|2,0,0]=4 7539 B13R1.4453 Cc1cccc(c1C(=O)CCO)O 1458a_100011934116_100000211926 [0,2,0,0,0,0|2,0,0]=4 7540 B13R1.4453 O=C(CCF)c1c(cccc1Br)Br 1458a_100000690891_100011217306 [0,2,0,0,0,0|2,0,0]=4 7541 B13R1.4453 O=C(CCF)c1c(cccc1Br)Cl 1458a_100011253703_100011217306 [0,2,0,0,0,0|2,0,0]=4 7542 B13R1.4453 O=C(CCF)c1c(cccc1Br)F 1458a_100000752694_100011217306 [0,2,0,0,0,0|2,0,0]=4 7543 B13R1.4453 O=C(CCF)c1c(cccc1Br)O 1458a_100011935254_100011217306 [0,2,0,0,0,0|2,0,0]=4 7544 B13R1.4453 O=C(CCF)c1c(cccc1Cl)Cl 1458a_100000210656_100011217306 [0,2,0,0,0,0|2,0,0]=4 7545 B13R1.4453 O=C(CCF)c1c(cccc1Cl)F 1458a_100000210369_100011217306 [0,2,0,0,0,0|2,0,0]=4 7546 B13R1.4453 O=C(CCF)c1c(cccc1Cl)O 1458a_100000745519_100011217306 [0,2,0,0,0,0|2,0,0]=4 7547 B13R1.4453 O=C(CCF)c1c(cccc1F)F 1458a_100000210804_100011217306 [0,2,0,0,0,0|2,0,0]=4 7548 B13R1.4453 O=C(CCF)c1c(cccc1F)O 1458a_100000763259_100011217306 [0,2,0,0,0,0|2,0,0]=4 7549 B13R1.4453 O=C(CCF)c1c(cccc1I)Br 1458a_100010232521_100011217306 [0,2,0,0,0,0|2,0,0]=4 7550 B13R1.4453 O=C(CCF)c1c(cccc1I)Cl 1458a_100000702859_100011217306 [0,2,0,0,0,0|2,0,0]=4 7551 B13R1.4453 O=C(CCF)c1c(cccc1I)F 1458a_100000023732_100011217306 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.4453 O=C(CCF)c1c(cccc1O)O 1458a_100000755285_100011217306 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.4453 O=C(CCO)c1c(cccc1Br)Br 1458a_100000690891_100000211926 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.4453 O=C(CCO)c1c(cccc1Br)Cl 1458a_100011253703_100000211926 [0,2,0,0,0,0|2,0,0]=4 7555 B13R1.4453 O=C(CCO)c1c(cccc1Br)F 1458a_100000752694_100000211926 [0,2,0,0,0,0|2,0,0]=4 7556 B13R1.4453 O=C(CCO)c1c(cccc1Br)O 1458a_100011935254_100000211926 [0,2,0,0,0,0|2,0,0]=4 7557 B13R1.4453 O=C(CCO)c1c(cccc1Cl)Cl 1458a_100000210656_100000211926 [0,2,0,0,0,0|2,0,0]=4 7558 B13R1.4453 O=C(CCO)c1c(cccc1Cl)F 1458a_100000210369_100000211926 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.4453 O=C(CCO)c1c(cccc1Cl)O 1458a_100000745519_100000211926 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.4453 O=C(CCO)c1c(cccc1F)F 1458a_100000210804_100000211926 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.4453 O=C(CCO)c1c(cccc1F)O 1458a_100000763259_100000211926 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.4453 O=C(CCO)c1c(cccc1I)Br 1458a_100010232521_100000211926 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.4453 O=C(CCO)c1c(cccc1I)Cl 1458a_100000702859_100000211926 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.4453 O=C(CCO)c1c(cccc1I)F 1458a_100000023732_100000211926 [0,2,0,0,0,0|2,0,0]=4 7565 B13R1.4453 O=C(CCO)c1c(cccc1O)O 1458a_100000755285_100000211926 [0,2,0,0,0,0|2,0,0]=4 7566 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_200025704644 [0,2,0,0,0,0|2,0,0]=4 7567 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1Cl)F 62a_100011219195_200025704644 [0,2,0,0,0,0|2,0,0]=4 7568 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1Cl)F 62a_200025704644_100011219195 [0,2,0,0,0,0|2,0,0]=4 7569 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1F)F 62a_100000199083_200025704644 [0,2,0,0,0,0|2,0,0]=4 7570 B13R1.4453 [13CH3]SCC(=O)c1c(cccc1F)F 62a_200025704644_100000199083 [0,2,0,0,0,0|2,0,0]=4 7571 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [0,0,1,1,0,0|2,0,0]=4 7572 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [0,0,1,1,0,0|2,0,0]=4 7573 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [0,0,1,1,0,0|2,0,0]=4 7574 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [0,0,1,1,0,0|2,0,0]=4 7575 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [0,0,1,1,0,0|1,0,0]=3 7576 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [0,0,1,1,0,0|1,0,0]=3 7577 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [0,0,1,1,0,0|1,0,0]=3 7578 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [0,0,1,1,0,0|2,0,0]=4 7579 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [0,0,1,1,0,0|2,0,0]=4 7580 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [0,0,1,1,0,0|1,1,0]=4 7581 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [0,0,1,1,0,0|1,1,0]=4 7582 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [0,0,1,1,0,0|1,1,0]=4 7583 B11R1.189 C=Cc1cccc(n1)NCC 271570a_100011290941_200020678610 [0,0,1,1,0,0|2,0,0]=4 7584 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [0,0,1,1,0,0|1,0,0]=3 7585 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [0,0,1,1,0,0|2,0,0]=4 7586 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [0,0,1,1,0,0|2,0,0]=4 7587 B11R1.189 C=Cc1cncc(n1)OCC 271570a_100011290941_100000757043 [0,0,1,1,0,0|2,0,0]=4 7588 B11R1.189 C=Cc1nccc(n1)OCC 271570a_100011290941_100011649779 [0,0,1,1,0,0|2,0,0]=4 7589 B11R1.5 CCOc1cccccc1=O 34a_100000036025_100000210202 [0,0,1,1,0,0|2,0,0]=4 7590 B11R1.5 CCOc1cccccc1=O 7a_100000036025_100000210202 [0,0,1,1,0,0|2,0,0]=4 7591 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [0,0,1,1,0,0|2,0,0]=4 7592 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [0,0,1,1,0,0|2,0,0]=4 7593 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [0,0,1,1,0,0|1,0,0]=3 7594 B11R1.41 C=Cc1ccccc1SCC 271570a_100011290941_100000230856 [0,0,1,1,0,0|1,1,0]=4 7595 B11R1.41 C=Cc1ccccc1SCC 62a_100000210202_100011218376 [0,0,1,1,0,0|1,1,0]=4 7596 B11R1.41 C=Cc1ccccc1SCC 62a_100011218376_100000210202 [0,0,1,1,0,0|1,1,0]=4 7597 B11R1.41 C=Cc1cccnc1OCC 271570a_100011290941_100011465154 [0,0,1,1,0,0|1,0,0]=3 7598 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [0,0,1,1,0,0|2,0,0]=4 7599 B11R1.41 C=Cc1nccnc1OCC 271570a_100011290941_200010128176 [0,0,1,1,0,0|2,0,0]=4 7600 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [0,0,1,1,0,0|1,0,1]=4 7601 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 7602 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 7603 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 7604 B13R2.26 CCNc1nc2ccccc2[nH]1 27a_100015525214_100009814255 [0,0,0,1,0,1|2,0,0]=4 7605 B13R2.26 CCNc1nc2ccccc2s1 27a_100015525214_100000751744 [0,0,0,1,0,1|1,1,0]=4 7606 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,0,0,1,0,1|1,0,1]=4 7607 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,0,0,1,0,1|1,0,1]=4 7608 B13R2.26 CCSc1cc2ccccc2[nH]1 62a_100000210202_100010232065 [0,0,0,1,0,1|1,1,0]=4 7609 B13R2.26 CCSc1cc2ccccc2o1 62a_100000210202_100010159458 [0,0,0,1,0,1|0,1,1]=4 7610 B13R2.26 CCSc1cc2ccccc2s1 62a_100000210202_100009816949 [0,0,0,1,0,1|0,2,0]=4 7611 B13R2.26 CCSc1nc2ccccc2[nH]1 62a_100000210202_100009814255 [0,0,0,1,0,1|1,1,0]=4 7612 B13R2.26 CCSc1nc2ccccc2s1 62a_100000210202_100000751744 [0,0,0,1,0,1|0,2,0]=4 7613 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,0,0,1,0,1|2,0,0]=4 7614 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,0,0,1,0,1|2,0,0]=4 7615 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,0,0,1,0,1|2,0,0]=4 7616 B13R2.444 O=C(Cc1ccccc1)C2CC2 1458a_100000210395_100015291786 [0,0,0,1,0,1|1,0,0]=3 7617 B13R2.444 O=C(Cc1ccccc1)C2CO2 1458a_100000701028_100015291786 [0,0,0,1,0,1|2,0,0]=4 7618 B13R2.444 O=C(Cc1ccccn1)C2CC2 1458a_100000210395_100000721315 [0,0,0,1,0,1|2,0,0]=4 7619 B13R2.444 O=C(Cc1cccnc1)C2CC2 1458a_100000210395_100000733263 [0,0,0,1,0,1|2,0,0]=4 7620 B13R2.444 O=C(Cc1ccncc1)C2CC2 1458a_100000210395_100000705612 [0,0,0,1,0,1|2,0,0]=4 7621 B13R2.444 O=C(Nc1ccccc1)C2CC2 11a_100000106764_100000210395 [0,0,0,1,0,1|1,0,0]=3 7622 B13R2.444 O=C(Nc1ccccc1)C2CC2 1626a_100000106764_100000210395 [0,0,0,1,0,1|1,0,0]=3 7623 B13R2.444 O=C(Nc1ccccc1)C2CC2 22a_100000106764_100000210395 [0,0,0,1,0,1|1,0,0]=3 7624 B13R2.444 O=C(Nc1ccccc1)C2CC2 527a_100000106764_100000210395 [0,0,0,1,0,1|1,0,0]=3 7625 B13R2.444 O=C(Nc1ccccc1)C2CO2 11a_100000106764_100000701028 [0,0,0,1,0,1|2,0,0]=4 7626 B13R2.444 O=C(Nc1ccccc1)C2CO2 1626a_100000106764_100000701028 [0,0,0,1,0,1|2,0,0]=4 7627 B13R2.444 O=C(Nc1ccccc1)C2CO2 22a_100000106764_100000701028 [0,0,0,1,0,1|2,0,0]=4 7628 B13R2.444 O=C(Nc1ccccc1)C2CO2 527a_100000106764_100000701028 [0,0,0,1,0,1|2,0,0]=4 7629 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [0,1,0,1,0,0|1,0,1]=4 7630 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [0,1,0,1,0,0|1,0,1]=4 7631 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [0,1,0,1,0,0|0,1,0]=3 7632 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [0,1,0,1,0,0|0,1,0]=3 7633 B13R2.1 CCSc1coc2c1cccc2 62a_100000210202_100009812202 [0,1,0,1,0,0|0,1,1]=4 7634 B13R2.1 CCSc1csc2c1cccc2 62a_100000210202_100009813928 [0,1,0,1,0,0|0,2,0]=4 7635 B13R2.1 CCSc1n[nH]c2c1cccc2 62a_100000210202_100000050141 [0,1,0,1,0,0|1,1,0]=4 7636 B13R2.1 CCSc1noc2c1cccc2 62a_100000210202_200000703156 [0,1,0,1,0,0|0,1,1]=4 7637 B13R2.1 CCSc1noc2c1cccc2 62a_200000703156_100000210202 [0,1,0,1,0,0|0,1,1]=4 7638 B13R2.1 FCOc1csc2c1cccc2 34a_100000077758_100015361967 [0,1,0,1,0,0|1,1,0]=4 7639 B13R2.1 FCOc1csc2c1cccc2 7a_100000077758_100015361967 [0,1,0,1,0,0|1,1,0]=4 7640 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,1,0,1,0,0|2,0,0]=4 7641 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,1,0,1,0,0|1,0,0]=3 7642 B13R2.3 C1=C(CCCO1)c2ccccn2 271570a_100010175576_100011216584 [0,1,0,1,0,0|2,0,0]=4 7643 B13R2.3 C1=C(CCCO1)c2cccnc2 271570a_100010175576_100000752921 [0,1,0,1,0,0|2,0,0]=4 7644 B13R2.3 C1=C(CCCO1)c2ccncc2 271570a_100010175576_100000035832 [0,1,0,1,0,0|2,0,0]=4 7645 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,1,0,1,0,0|2,0,0]=4 7646 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,1,0,1,0,0|2,0,0]=4 7647 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,1,0,1,0,0|2,0,0]=4 7648 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,1,0,1,0,0|1,0,0]=3 7649 B13R2.3 C1=C(OCCC1)c2ccccn2 271570a_100010177797_100011216584 [0,1,0,1,0,0|2,0,0]=4 7650 B13R2.3 C1=C(OCCC1)c2cccnc2 271570a_100010177797_100000752921 [0,1,0,1,0,0|2,0,0]=4 7651 B13R2.3 C1=C(OCCC1)c2ccncc2 271570a_100010177797_100000035832 [0,1,0,1,0,0|2,0,0]=4 7652 B13R2.10 Cc1ccc(o1)c2ccccc2 271570a_100000061910_100000210277 [0,1,0,1,0,0|1,0,1]=4 7653 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [0,1,0,1,0,0|1,0,1]=4 7654 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [0,1,0,1,0,0|1,0,1]=4 7655 B13R2.10 Cc1nnc(o1)c2ccccc2 271570a_100011218836_100000708914 [0,1,0,1,0,0|1,0,1]=4 7656 B13R2.10 Cc1noc(n1)c2ccccc2 270196a_100000212224_100000185807 [0,1,0,1,0,0|1,0,1]=4 7657 B13R2.2931 CCn1nc(c2c1cccc2)O 271570a_203496583355_200010288290 [0,1,0,1,0,0|1,0,1]=4 7658 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [0,1,0,1,0,0|1,0,0]=3 7659 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [0,1,0,1,0,0|1,0,0]=3 7660 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [0,1,0,1,0,0|0,0,0]=2 7661 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [0,1,0,1,0,0|1,0,0]=3 7662 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [0,1,0,1,0,0|1,0,0]=3 7663 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [0,1,0,1,0,0|0,0,0]=2 7664 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [0,1,0,1,0,0|1,0,0]=3 7665 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [0,1,0,1,0,0|1,0,0]=3 7666 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [0,1,0,1,0,0|0,0,0]=2 7667 B13R2.12 Brc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000752885 [0,1,0,1,0,0|2,0,0]=4 7668 B13R2.12 Cc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000186775 [0,1,0,1,0,0|2,0,0]=4 7669 B13R2.12 Clc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000755918 [0,1,0,1,0,0|2,0,0]=4 7670 B13R2.12 Fc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000211213 [0,1,0,1,0,0|2,0,0]=4 7671 B13R2.12 Nc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185761 [0,1,0,1,0,0|2,0,0]=4 7672 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185759 [0,1,0,1,0,0|2,0,0]=4 7673 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_203496583355_200010223205 [0,1,0,1,0,0|2,0,0]=4 7674 B13R2.12 Oc1ccc(cc1)C2=NCCO2 271570a_203496583355_100009812740 [0,1,0,1,0,0|1,0,0]=3 7675 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,1,0,1,0,0|0,0,2]=4 7676 B13R2.520 C=C(c1ccc(cc1)Br)C2CC2 271570a_100010895485_100000752885 [0,1,0,1,0,0|2,0,0]=4 7677 B13R2.520 C=C(c1ccc(cc1)C)C2CC2 271570a_100010895485_100000186775 [0,1,0,1,0,0|2,0,0]=4 7678 B13R2.520 C=C(c1ccc(cc1)Cl)C2CC2 271570a_100010895485_100000755918 [0,1,0,1,0,0|2,0,0]=4 7679 B13R2.520 C=C(c1ccc(cc1)F)C2CC2 271570a_100010895485_100000211213 [0,1,0,1,0,0|2,0,0]=4 7680 B13R2.520 C=C(c1ccc(cc1)N)C2CC2 271570a_100010895485_100000185761 [0,1,0,1,0,0|2,0,0]=4 7681 B13R2.520 C=C(c1ccc(cc1)O)C2CC2 271570a_100010895485_100000185759 [0,1,0,1,0,0|2,0,0]=4 7682 B13R2.520 O=C(c1ccc(cc1)O)C2CC2 271570a_203496583355_100000764646 [0,1,0,1,0,0|1,0,0]=3 7683 B13R2.520 O=S(c1ccc(cc1)O)C2CC2 271570a_203496583355_103551703186 [0,1,0,1,0,0|2,0,0]=4 7684 B13R2.5179 O=C1CCCc2c1ccc(c2)O 271570a_203496583355_100000688402 [0,1,0,1,0,0|1,0,0]=3 7685 B13R2.5179 O=C1CCCc2c1ccc(n2)O 271570a_203496583355_100000089724 [0,1,0,1,0,0|2,0,0]=4 7686 B13R2.5179 O=C1CCNc2c1ccc(c2)O 271570a_203496583355_100010157303 [0,1,0,1,0,0|2,0,0]=4 7687 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,1,0,1,0,0|2,0,0]=4 7688 B13R2.5179 O=C1CCSc2c1ccc(c2)O 271570a_203496583355_100010688399 [0,1,0,1,0,0|2,0,0]=4 7689 B13R2.5179 O=C1NCCc2c1ccc(c2)O 271570a_203496583355_100009817313 [0,1,0,1,0,0|1,0,0]=3 7690 B13R2.5179 O=C1NCCc2c1ccc(n2)O 271570a_203496583355_100009858568 [0,1,0,1,0,0|2,0,0]=4 7691 B13R2.5187 Cn1[nH]c(=O)c2c1cc(cc2)O 271570a_203496583355_100011014602 [0,1,0,1,0,0|2,0,0]=4 7692 B13R2.5187 O=C1OC(=O)c2c1ccc(c2)O 271570a_203496583355_100000185860 [0,1,0,1,0,0|1,0,1]=4 7693 B13R2.13 Brc1cccc(c1)C2=CCCC2 271570a_100000089523_100000691529 [0,1,0,1,0,0|2,0,0]=4 7694 B13R2.13 Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100011215228 [0,1,0,1,0,0|2,0,0]=4 7695 B13R2.13 Clc1cccc(c1)C2=CCCC2 271570a_100000089523_100000699651 [0,1,0,1,0,0|2,0,0]=4 7696 B13R2.13 Fc1cccc(c1)C2=CCCC2 271570a_100000089523_100000685547 [0,1,0,1,0,0|2,0,0]=4 7697 B13R2.13 Nc1cccc(c1)C2=CCCC2 271570a_100000089523_100000210019 [0,1,0,1,0,0|2,0,0]=4 7698 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_100000089523_100000211634 [0,1,0,1,0,0|2,0,0]=4 7699 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_203496583355_200010203063 [0,1,0,1,0,0|2,0,0]=4 7700 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [0,1,0,1,0,0|0,0,2]=4 7701 B13R2.13 Oc1ccnc(c1)C2=NCCO2 271570a_203496583355_200000693724 [0,1,0,1,0,0|2,0,0]=4 7702 B13R2.13 [S]c1cccc(c1)C2=CCCC2 271570a_100000089523_114929384022 [0,1,0,1,0,0|2,0,0]=4 7703 B13R2.162 O=C1CCCc2c1cc(cc2)O 271570a_203496583355_100000760428 [0,1,0,1,0,0|1,0,0]=3 7704 B13R2.162 O=C1CCCc2c1nc(cc2)O 271570a_203496583355_100000693748 [0,1,0,1,0,0|2,0,0]=4 7705 B13R2.162 O=C1CCNc2c1cc(cc2)O 271570a_203496583355_100000697366 [0,1,0,1,0,0|2,0,0]=4 7706 B13R2.162 O=C1CCOc2c1cc(cc2)O 271570a_203496583355_100000243215 [0,1,0,1,0,0|2,0,0]=4 7707 B13R2.162 O=C1CCSc2c1cc(cc2)O 271570a_203496583355_100000744447 [0,1,0,1,0,0|2,0,0]=4 7708 B13R2.162 O=C1COCc2c1cc(cc2)O 271570a_203496583355_100010205901 [0,1,0,1,0,0|2,0,0]=4 7709 B13R2.162 O=C1NCCc2c1cc(cc2)O 271570a_203496583355_100000688804 [0,1,0,1,0,0|1,0,0]=3 7710 B13R2.162 O=C1NCCc2c1cc(cn2)O 271570a_203496583355_100010128719 [0,1,0,1,0,0|2,0,0]=4 7711 B13R2.342 O=C1CCCc2c1cccc2O 271570a_203496583355_100000691372 [0,1,0,1,0,0|1,0,0]=3 7712 B13R2.342 O=C1CCCc2c1cncc2O 271570a_203496583355_100010870523 [0,1,0,1,0,0|2,0,0]=4 7713 B13R2.342 O=C1CCNc2c1cccc2O 271570a_203496583355_115082355814 [0,1,0,1,0,0|2,0,0]=4 7714 B13R2.342 O=C1CCOc2c1cccc2O 271570a_203496583355_100000744318 [0,1,0,1,0,0|2,0,0]=4 7715 B13R2.342 O=C1CCSc2c1cccc2O 271570a_203496583355_100011271337 [0,1,0,1,0,0|2,0,0]=4 7716 B13R2.342 O=C1NCCc2c1cccc2O 271570a_203496583355_100000695023 [0,1,0,1,0,0|1,0,0]=3 7717 B13R2.4857 O=C1OC(=O)c2c1cccc2O 271570a_203496583355_100010195870 [0,1,0,1,0,0|1,0,1]=4 7718 B13R2.5324 C=C(c1cccc(c1)Br)C2CC2 271570a_100010895485_100000691529 [0,1,0,1,0,0|2,0,0]=4 7719 B13R2.5324 C=C(c1cccc(c1)C)C2CC2 271570a_100010895485_100011215228 [0,1,0,1,0,0|2,0,0]=4 7720 B13R2.5324 C=C(c1cccc(c1)Cl)C2CC2 271570a_100010895485_100000699651 [0,1,0,1,0,0|2,0,0]=4 7721 B13R2.5324 C=C(c1cccc(c1)F)C2CC2 271570a_100010895485_100000685547 [0,1,0,1,0,0|2,0,0]=4 7722 B13R2.5324 C=C(c1cccc(c1)N)C2CC2 271570a_100010895485_100000210019 [0,1,0,1,0,0|2,0,0]=4 7723 B13R2.5324 C=C(c1cccc(c1)O)C2CC2 271570a_100010895485_100000211634 [0,1,0,1,0,0|2,0,0]=4 7724 B13R2.5324 C=C(c1cccc(c1)[S])C2CC2 271570a_100010895485_114929384022 [0,1,0,1,0,0|2,0,0]=4 7725 B13R2.690 C[C@@H](OC1CC1)c2ccccc2 34a_100000761318_100000211595 [0,1,0,1,0,0|1,0,1]=4 7726 B13R2.690 O=C(CC1CC1)c2ccccc2 1458a_100000185807_100000742324 [0,1,0,1,0,0|1,0,0]=3 7727 B13R2.690 O=C(CC1CO1)c2ccccc2 1458a_100000185807_100011216344 [0,1,0,1,0,0|1,0,0]=3 7728 B13R2.690 O=C(CC1CS1)c2ccccc2 1458a_100000185807_100000031435 [0,1,0,1,0,0|1,0,0]=3 7729 B13R2.690 O=C(C[C@@H]1CO1)c2ccccc2 1458a_100000185807_100000745022 [0,1,0,1,0,0|1,0,0]=3 7730 B13R2.690 O=C(NC1CC1)c2ccccc2 1626a_100000212008_100000185807 [0,1,0,1,0,0|1,0,0]=3 7731 B13R2.690 O=C(NC1CC1)c2ccccc2 240690a_100000212008_100000185807 [0,1,0,1,0,0|1,0,0]=3 7732 B13R2.690 O=C(NC1CC1)c2ccccc2 527a_100000212008_100000185807 [0,1,0,1,0,0|1,0,0]=3 7733 B13R2.1028 CCNN=C1Cc2c1cccc2 4a_100000756455_100000051409 [0,1,0,1,0,0|2,0,0]=4 7734 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [0,1,0,1,0,0|1,0,1]=4 7735 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [0,1,0,1,0,0|1,0,1]=4 7736 B13R2.8137 O=C(c1ccccc1)C2CCC2 1458a_100000185807_100000749161 [0,1,0,1,0,0|1,0,0]=3 7737 B13R2.8137 O=C(c1ccccc1)C2COC2 1458a_100000185807_100000687716 [0,1,0,1,0,0|1,0,0]=3 7738 B13R2.8137 O=C(c1ccccc1)N2CCC2 11a_100000754969_100000185807 [0,1,0,1,0,0|1,0,0]=3 7739 B13R2.8137 O=C(c1ccccc1)N2CCC2 240690a_100000754969_100000185807 [0,1,0,1,0,0|1,0,0]=3 7740 B13R2.8137 O=C(c1ccccc1)N2CCC2 527a_100000754969_100000185807 [0,1,0,1,0,0|1,0,0]=3 7741 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,1,0,1,0,0|2,0,0]=4 7742 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,1,0,1,0,0|2,0,0]=4 7743 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,1,0,1,0,0|2,0,0]=4 7744 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,1,0,1,0,0|2,0,0]=4 7745 B13R2.18 Brc1ccccc1C2=CCCC2 271570a_100000089523_100000695589 [0,1,0,1,0,0|2,0,0]=4 7746 B13R2.18 Cc1ccccc1C2=CCCC2 271570a_100000089523_100000210755 [0,1,0,1,0,0|2,0,0]=4 7747 B13R2.18 Clc1ccccc1C2=CCCC2 271570a_100000089523_100000764095 [0,1,0,1,0,0|2,0,0]=4 7748 B13R2.18 Fc1ccccc1C2=CCCC2 271570a_100000089523_100011215700 [0,1,0,1,0,0|2,0,0]=4 7749 B13R2.18 Nc1ccccc1C2=CCCC2 271570a_100000089523_100000210017 [0,1,0,1,0,0|2,0,0]=4 7750 B13R2.18 Oc1ccccc1C2=CCCC2 271570a_100000089523_100000739446 [0,1,0,1,0,0|2,0,0]=4 7751 B13R2.18 Oc1ccccc1C2OCCO2 271570a_203496583355_100009814316 [0,1,0,1,0,0|0,0,2]=4 7752 B13R2.3097 C=C(c1ccccc1Br)C2CC2 271570a_100010895485_100000695589 [0,1,0,1,0,0|2,0,0]=4 7753 B13R2.3097 C=C(c1ccccc1C)C2CC2 271570a_100010895485_100000210755 [0,1,0,1,0,0|2,0,0]=4 7754 B13R2.3097 C=C(c1ccccc1Cl)C2CC2 271570a_100010895485_100000764095 [0,1,0,1,0,0|2,0,0]=4 7755 B13R2.3097 C=C(c1ccccc1F)C2CC2 271570a_100010895485_100011215700 [0,1,0,1,0,0|2,0,0]=4 7756 B13R2.3097 C=C(c1ccccc1N)C2CC2 271570a_100010895485_100000210017 [0,1,0,1,0,0|2,0,0]=4 7757 B13R2.3097 C=C(c1ccccc1O)C2CC2 271570a_100010895485_100000739446 [0,1,0,1,0,0|2,0,0]=4 7758 B13R2.4818 O=C1CCCc2c1c(ccc2)O 271570a_203496583355_100009816782 [0,1,0,1,0,0|1,0,0]=3 7759 B13R2.4818 O=C1CCOc2c1c(ccc2)O 271570a_203496583355_100010205896 [0,1,0,1,0,0|2,0,0]=4 7760 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,0,1,0|1,0,1]=4 7761 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,0,1,0|1,0,1]=4 7762 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [1,0,0,0,1,0|1,0,1]=4 7763 B9R1.12 CCOCc1ccsc1 34a_100011215551_100000210202 [1,0,0,0,1,0|1,0,1]=4 7764 B9R1.12 CCOCc1ccsc1 34a_100121572206_100011261437 [1,0,0,0,1,0|1,0,1]=4 7765 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,0,0,0,0,2|0,0,2]=4 7766 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,0,0,0,0,2|0,0,2]=4 7767 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,0,0,0,0,2|0,0,2]=4 7768 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,0,0,0,0,2|0,0,2]=4 7769 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,0,0,0,0,2|1,0,1]=4 7770 B13R1.42 CC#CC(=O)NNc1ccccc1 22a_100015195140_100000763181 [0,0,0,0,0,2|1,0,1]=4 7771 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,0,0,0,0,2|1,0,1]=4 7772 B13R1.42 CC=CC(=O)NCc1ccccc1 11a_100015324214_100000210699 [0,0,0,0,0,2|1,0,1]=4 7773 B13R1.42 CC=CC(=O)NCc1ccccc1 1626a_100015324214_100000210699 [0,0,0,0,0,2|1,0,1]=4 7774 B13R1.42 CC=CC(=O)NCc1ccccc1 240690a_100015324214_100000210699 [0,0,0,0,0,2|1,0,1]=4 7775 B13R1.42 CC=CC(=O)NNc1ccccc1 22a_100015195140_100000210699 [0,0,0,0,0,2|1,0,1]=4 7776 B13R1.42 CCCC(=NNc1ccccc1)C 4a_100015195140_100000211909 [0,0,0,0,0,2|2,0,0]=4 7777 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [0,0,0,0,0,2|1,0,0]=3 7778 B13R1.42 CCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210303 [0,0,0,0,0,2|2,0,0]=4 7779 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,0,0,0,0,2|1,0,0]=3 7780 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,0,0,0,0,2|2,0,0]=4 7781 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [0,0,0,0,0,2|2,0,0]=4 7782 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [0,0,0,0,0,2|2,0,0]=4 7783 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,0,0,0,0,2|1,0,0]=3 7784 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,0,0,0,0,2|1,0,0]=3 7785 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [0,0,0,0,0,2|2,0,0]=4 7786 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [0,0,0,0,0,2|2,0,0]=4 7787 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [0,0,0,0,0,2|2,0,0]=4 7788 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [0,0,0,0,0,2|2,0,0]=4 7789 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [0,0,0,0,0,2|2,0,0]=4 7790 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [0,0,0,0,0,2|2,0,0]=4 7791 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,0,0,0,0,2|1,0,0]=3 7792 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,0,0,0,0,2|1,0,0]=3 7793 B13R1.42 CCCC(=O)COc1ccccn1 1458a_100102699861_100000210303 [0,0,0,0,0,2|2,0,0]=4 7794 B13R1.42 CCCC(=O)COc1cccnc1 1458a_100015207166_100000210303 [0,0,0,0,0,2|2,0,0]=4 7795 B13R1.42 CCCC(=O)COc1cccnc1 7a_100000210849_100000747444 [0,0,0,0,0,2|2,0,0]=4 7796 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,0,0,0,0,2|1,0,0]=3 7797 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,0,0,0,0,2|1,0,0]=3 7798 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,0,0,0,0,2|1,0,0]=3 7799 B13R1.42 CCCC(=O)CSc1ccccn1 1458a_100000156281_100000210303 [0,0,0,0,0,2|2,0,0]=4 7800 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100000747444_100011216584 [0,0,0,0,0,2|2,0,0]=4 7801 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100011216584_100000747444 [0,0,0,0,0,2|2,0,0]=4 7802 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000210063_100000747444 [0,0,0,0,0,2|2,0,0]=4 7803 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000747444_100000210063 [0,0,0,0,0,2|2,0,0]=4 7804 B13R1.42 CCCC(=O)CSc1ccncc1 1458a_100000211328_100000210303 [0,0,0,0,0,2|2,0,0]=4 7805 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000728582_100000747444 [0,0,0,0,0,2|2,0,0]=4 7806 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000747444_100000728582 [0,0,0,0,0,2|2,0,0]=4 7807 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,0,0,0,0,2|1,0,0]=3 7808 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,0,0,0,0,2|1,0,0]=3 7809 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,0,0,0,0,2|1,0,0]=3 7810 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,0,0,0,0,2|1,0,0]=3 7811 B13R1.42 CCCC(=O)NCc1ccccn1 11a_100000210449_100000211992 [0,0,0,0,0,2|2,0,0]=4 7812 B13R1.42 CCCC(=O)NCc1ccccn1 1626a_100000210449_100000211992 [0,0,0,0,0,2|2,0,0]=4 7813 B13R1.42 CCCC(=O)NCc1ccccn1 240690a_100000210449_100000211992 [0,0,0,0,0,2|2,0,0]=4 7814 B13R1.42 CCCC(=O)NCc1ccccn1 527a_100000210449_100000211992 [0,0,0,0,0,2|2,0,0]=4 7815 B13R1.42 CCCC(=O)NCc1cccnc1 11a_100000210453_100000211992 [0,0,0,0,0,2|2,0,0]=4 7816 B13R1.42 CCCC(=O)NCc1cccnc1 240690a_100000210453_100000211992 [0,0,0,0,0,2|2,0,0]=4 7817 B13R1.42 CCCC(=O)NCc1cccnc1 527a_100000210453_100000211992 [0,0,0,0,0,2|2,0,0]=4 7818 B13R1.42 CCCC(=O)NCc1ccncc1 11a_100000210450_100000211992 [0,0,0,0,0,2|2,0,0]=4 7819 B13R1.42 CCCC(=O)NCc1ccncc1 1626a_100000210450_100000211992 [0,0,0,0,0,2|2,0,0]=4 7820 B13R1.42 CCCC(=O)NCc1ccncc1 240690a_100000210450_100000211992 [0,0,0,0,0,2|2,0,0]=4 7821 B13R1.42 CCCC(=O)NCc1ccncc1 527a_100000210450_100000211992 [0,0,0,0,0,2|2,0,0]=4 7822 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [0,0,0,0,0,2|1,0,0]=3 7823 B13R1.42 CCCC(=O)NNc1ccccn1 22a_100000183288_100000211992 [0,0,0,0,0,2|2,0,0]=4 7824 B13R1.42 CCCC(=O)NNc1cccnc1 22a_100000728903_100000211992 [0,0,0,0,0,2|2,0,0]=4 7825 B13R1.42 CCCC(=O)NNc1ccncc1 22a_100000698918_100000211992 [0,0,0,0,0,2|2,0,0]=4 7826 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [0,0,0,0,0,2|1,0,0]=3 7827 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,0,0,0,0,2|1,0,0]=3 7828 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [0,0,0,0,0,2|2,0,0]=4 7829 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [0,0,0,0,0,2|2,0,0]=4 7830 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [0,0,0,0,0,2|2,0,0]=4 7831 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [0,0,0,0,0,2|2,0,0]=4 7832 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [0,0,0,0,0,2|2,0,0]=4 7833 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,0,0,0,0,2|1,0,0]=3 7834 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,0,0,0,0,2|1,0,0]=3 7835 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,0,0,0,0,2|1,0,0]=3 7836 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [0,0,0,0,0,2|2,0,0]=4 7837 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [0,0,0,0,0,2|2,0,0]=4 7838 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [0,0,0,0,0,2|2,0,0]=4 7839 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [0,0,0,0,0,2|2,0,0]=4 7840 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [0,0,0,0,0,2|2,0,0]=4 7841 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [0,0,0,0,0,2|2,0,0]=4 7842 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [0,0,0,0,0,2|2,0,0]=4 7843 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [0,0,0,0,0,2|2,0,0]=4 7844 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [0,0,0,0,0,2|2,0,0]=4 7845 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,0,0,0,0,2|1,0,0]=3 7846 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,0,0,0,0,2|1,0,0]=3 7847 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,0,0,0,0,2|1,0,0]=3 7848 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,0,0,0,0,2|1,0,0]=3 7849 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,0,0,0,0,2|1,0,0]=3 7850 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,0,0,0,0,2|1,0,0]=3 7851 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [0,0,0,0,0,2|2,0,0]=4 7852 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [0,0,0,0,0,2|2,0,0]=4 7853 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [0,0,0,0,0,2|2,0,0]=4 7854 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [0,0,0,0,0,2|2,0,0]=4 7855 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [0,0,0,0,0,2|2,0,0]=4 7856 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [0,0,0,0,0,2|2,0,0]=4 7857 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [0,0,0,0,0,2|2,0,0]=4 7858 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [0,0,0,0,0,2|2,0,0]=4 7859 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,0,0,0,0,2|1,0,0]=3 7860 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,0,0,0,0,2|1,0,0]=3 7861 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,0,0,0,0,2|1,0,0]=3 7862 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,0,0,0,0,2|1,0,0]=3 7863 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,0,0,0,0,2|1,0,0]=3 7864 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [0,0,0,0,0,2|2,0,0]=4 7865 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [0,0,0,0,0,2|2,0,0]=4 7866 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [0,0,0,0,0,2|2,0,0]=4 7867 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [0,0,0,0,0,2|2,0,0]=4 7868 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [0,0,0,0,0,2|2,0,0]=4 7869 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000183381_100000210063 [0,0,0,0,0,2|2,0,0]=4 7870 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000210063_100000183381 [0,0,0,0,0,2|2,0,0]=4 7871 B13R1.42 CCNC(=O)CSc1ccncc1 11a_100015525214_100000211328 [0,0,0,0,0,2|2,0,0]=4 7872 B13R1.42 CCNC(=O)CSc1ccncc1 240690a_100015525214_100000211328 [0,0,0,0,0,2|2,0,0]=4 7873 B13R1.42 CCNC(=O)CSc1ccncc1 527a_100015525214_100000211328 [0,0,0,0,0,2|2,0,0]=4 7874 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000183381_100000728582 [0,0,0,0,0,2|2,0,0]=4 7875 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000728582_100000183381 [0,0,0,0,0,2|2,0,0]=4 7876 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,0,0,0,0,2|1,0,0]=3 7877 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,0,0,0,0,2|1,0,0]=3 7878 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,0,0,0,0,2|1,0,0]=3 7879 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,0,0,0,0,2|1,0,0]=3 7880 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,0,0,0,0,2|1,0,0]=3 7881 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,0,0,0,0,2|1,0,0]=3 7882 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100000210449_100015525214 [0,0,0,0,0,2|2,0,0]=4 7883 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100015525214_100000210449 [0,0,0,0,0,2|2,0,0]=4 7884 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100000210449_100015525214 [0,0,0,0,0,2|2,0,0]=4 7885 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100015525214_100000210449 [0,0,0,0,0,2|2,0,0]=4 7886 B13R1.42 CCNC(=O)NCc1ccccn1 512a_100015525214_100000210449 [0,0,0,0,0,2|2,0,0]=4 7887 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100000210453_100015525214 [0,0,0,0,0,2|2,0,0]=4 7888 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100015525214_100000210453 [0,0,0,0,0,2|2,0,0]=4 7889 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100000210453_100015525214 [0,0,0,0,0,2|2,0,0]=4 7890 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100015525214_100000210453 [0,0,0,0,0,2|2,0,0]=4 7891 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100000210453_100015525214 [0,0,0,0,0,2|2,0,0]=4 7892 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100015525214_100000210453 [0,0,0,0,0,2|2,0,0]=4 7893 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100000210450_100015525214 [0,0,0,0,0,2|2,0,0]=4 7894 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100015525214_100000210450 [0,0,0,0,0,2|2,0,0]=4 7895 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100000210450_100015525214 [0,0,0,0,0,2|2,0,0]=4 7896 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100015525214_100000210450 [0,0,0,0,0,2|2,0,0]=4 7897 B13R1.42 CCNC(=O)NCc1ccncc1 512a_100015525214_100000210450 [0,0,0,0,0,2|2,0,0]=4 7898 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [0,0,0,0,0,2|1,0,0]=3 7899 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [0,0,0,0,0,2|1,0,0]=3 7900 B13R1.42 CCNC(=O)NNc1ccccn1 273464a_100015525214_100000183288 [0,0,0,0,0,2|2,0,0]=4 7901 B13R1.42 CCNC(=O)NNc1ccccn1 512a_100015525214_100000183288 [0,0,0,0,0,2|2,0,0]=4 7902 B13R1.42 CCNC(=O)NNc1cccnc1 273464a_100015525214_100000728903 [0,0,0,0,0,2|2,0,0]=4 7903 B13R1.42 CCNC(=O)NNc1cccnc1 512a_100015525214_100000728903 [0,0,0,0,0,2|2,0,0]=4 7904 B13R1.42 CCNC(=O)NNc1ccncc1 273464a_100015525214_100000698918 [0,0,0,0,0,2|2,0,0]=4 7905 B13R1.42 CCNC(=O)NNc1ccncc1 512a_100015525214_100000698918 [0,0,0,0,0,2|2,0,0]=4 7906 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,0,0,0,0,2|0,0,0]=2 7907 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,0,0,0,0,2|1,0,0]=3 7908 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,0,0,0,0,2|1,0,0]=3 7909 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [0,0,0,0,0,2|2,0,0]=4 7910 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,0,0,0,0,2|1,0,0]=3 7911 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [0,0,0,0,0,2|2,0,0]=4 7912 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [0,0,0,0,0,2|2,0,0]=4 7913 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [0,0,0,0,0,2|2,0,0]=4 7914 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [0,0,0,0,0,2|2,0,0]=4 7915 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [0,0,0,0,0,2|2,0,0]=4 7916 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,0,0,0,0,2|0,0,0]=2 7917 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,0,0,0,0,2|0,0,0]=2 7918 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,0,0,0,0,2|0,0,0]=2 7919 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [0,0,0,0,0,2|1,0,0]=3 7920 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [0,0,0,0,0,2|1,0,0]=3 7921 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [0,0,0,0,0,2|1,0,0]=3 7922 B13R1.42 CCOC(=O)COc1ccnnc1 34a_100015204005_100000188475 [0,0,0,0,0,2|2,0,0]=4 7923 B13R1.42 CCOC(=O)COc1cncnc1 7a_100000754086_100000188475 [0,0,0,0,0,2|2,0,0]=4 7924 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,0,0,0,0,2|0,0,0]=2 7925 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,0,0,0,0,2|0,0,0]=2 7926 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [0,0,0,0,0,2|1,0,0]=3 7927 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [0,0,0,0,0,2|1,0,0]=3 7928 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [0,0,0,0,0,2|1,0,0]=3 7929 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [0,0,0,0,0,2|1,0,0]=3 7930 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100000188475_100016991348 [0,0,0,0,0,2|2,0,0]=4 7931 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100016991348_100000188475 [0,0,0,0,0,2|2,0,0]=4 7932 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [0,0,0,0,0,2|1,0,0]=3 7933 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [0,0,0,0,0,2|1,0,0]=3 7934 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000188475_100000703185 [0,0,0,0,0,2|2,0,0]=4 7935 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000703185_100000188475 [0,0,0,0,0,2|2,0,0]=4 7936 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000188475_100000732662 [0,0,0,0,0,2|2,0,0]=4 7937 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000732662_100000188475 [0,0,0,0,0,2|2,0,0]=4 7938 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000188475_100000211759 [0,0,0,0,0,2|2,0,0]=4 7939 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000211759_100000188475 [0,0,0,0,0,2|2,0,0]=4 7940 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100000188475_100011206942 [0,0,0,0,0,2|2,0,0]=4 7941 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100011206942_100000188475 [0,0,0,0,0,2|2,0,0]=4 7942 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000188475_100000211032 [0,0,0,0,0,2|2,0,0]=4 7943 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000211032_100000188475 [0,0,0,0,0,2|2,0,0]=4 7944 B13R1.42 CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210202 [0,0,0,0,0,2|1,0,1]=4 7945 B13R1.42 CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210202 [0,0,0,0,0,2|1,0,1]=4 7946 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,0,0,0,0,2|1,0,1]=4 7947 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,0,0,0,0,2|1,0,1]=4 7948 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,0,0,0,0,2|1,0,1]=4 7949 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,0,0,0,0,2|1,0,1]=4 7950 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,0,0,0,0,2|2,0,0]=4 7951 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,0,0,0,0,2|2,0,0]=4 7952 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,0,0,0,0,2|2,0,0]=4 7953 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,0,0,0,0,2|2,0,0]=4 7954 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,0,0,0,0,2|2,0,0]=4 7955 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,0,0,0,0,2|2,0,0]=4 7956 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,0,0,0,0,2|2,0,0]=4 7957 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,0,0,0,0,2|2,0,0]=4 7958 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,0,0,0,0,2|2,0,0]=4 7959 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,0,0,0,0,2|2,0,0]=4 7960 B13R1.42 CNNC(=O)C#Cc1ccccc1 22a_100016993582_100000736102 [0,0,0,0,0,2|2,0,0]=4 7961 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [0,0,0,0,0,2|2,0,0]=4 7962 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,0,0,0,0,2|2,0,0]=4 7963 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,0,0,0,0,2|2,0,0]=4 7964 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,0,0,0,0,2|2,0,0]=4 7965 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [0,0,0,0,0,2|2,0,0]=4 7966 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [0,0,0,0,0,2|2,0,0]=4 7967 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [0,0,0,0,0,2|2,0,0]=4 7968 B13R1.42 CNNC(=O)NNc1ccccc1 512a_100016993582_100015195140 [0,0,0,0,0,2|2,0,0]=4 7969 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,0,0,0,0,2|2,0,0]=4 7970 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,0,0,0,0,2|2,0,0]=4 7971 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,0,0,0,0,2|2,0,0]=4 7972 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,0,0,0,0,2|2,0,0]=4 7973 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,0,0,0,0,2|2,0,0]=4 7974 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,0,0,0,0,2|2,0,0]=4 7975 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,0,0,0,0,2|2,0,0]=4 7976 B13R1.42 COCC(=O)NNc1ccccc1 22a_100015195140_100000210968 [0,0,0,0,0,2|2,0,0]=4 7977 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,0,0,0,0,2|2,0,0]=4 7978 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,0,0,0,0,2|2,0,0]=4 7979 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,0,0,0,0,2|2,0,0]=4 7980 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,0,0,0,0,2|2,0,0]=4 7981 B13R1.42 CSCC(=O)NCc1ccccc1 11a_100015324214_100000184570 [0,0,0,0,0,2|2,0,0]=4 7982 B13R1.42 CSCC(=O)NCc1ccccc1 1626a_100015324214_100000184570 [0,0,0,0,0,2|2,0,0]=4 7983 B13R1.42 CSCC(=O)NCc1ccccc1 240690a_100015324214_100000184570 [0,0,0,0,0,2|2,0,0]=4 7984 B13R1.42 CSCC(=O)NCc1ccccc1 527a_100015324214_100000184570 [0,0,0,0,0,2|2,0,0]=4 7985 B13R1.42 CSCC(=O)NCc1ccccc1 62a_100000183539_200000210301 [0,0,0,0,0,2|2,0,0]=4 7986 B13R1.42 CSCC(=O)NCc1ccccc1 62a_200000210301_100000183539 [0,0,0,0,0,2|2,0,0]=4 7987 B13R1.42 CSCC(=O)NNc1ccccc1 22a_100015195140_100000184570 [0,0,0,0,0,2|2,0,0]=4 7988 B13R1.42 CSCC(=O)OCc1ccccc1 62a_100000753625_200000210301 [0,0,0,0,0,2|2,0,0]=4 7989 B13R1.42 CSCC(=O)OCc1ccccc1 62a_200000210301_100000753625 [0,0,0,0,0,2|2,0,0]=4 7990 B13R1.42 O=C(C#Cc1ccccc1)CCF 1458a_100000736102_100011217306 [0,0,0,0,0,2|2,0,0]=4 7991 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,0,0,0,0,2|2,0,0]=4 7992 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,0,0,0,0,2|2,0,0]=4 7993 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,0,0,0,0,2|2,0,0]=4 7994 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,0,0,0,0,2|2,0,0]=4 7995 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,0,0,0,0,2|2,0,0]=4 7996 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [0,0,0,0,0,2|2,0,0]=4 7997 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,0,0,0,0,2|2,0,0]=4 7998 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,0,0,0,0,2|2,0,0]=4 7999 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,0,0,0,0,2|2,0,0]=4 8000 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,0,0,0,0,2|2,0,0]=4 8001 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,0,0,0,0,2|2,0,0]=4 8002 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,0,0,0,0,2|2,0,0]=4 8003 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,0,0,0,0,2|2,0,0]=4 8004 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,0,0,0,0,2|2,0,0]=4 8005 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,0,0,0,0,2|2,0,0]=4 8006 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,0,0,0,0,2|2,0,0]=4 8007 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,0,0,0,0,2|2,0,0]=4 8008 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,0,0,0,0,2|2,0,0]=4 8009 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,0,0,0,0,2|2,0,0]=4 8010 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,0,0,0,0,2|2,0,0]=4 8011 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_100000183539_200025704644 [0,0,0,0,0,2|2,0,0]=4 8012 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_200025704644_100000183539 [0,0,0,0,0,2|2,0,0]=4 8013 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_100000753625_200025704644 [0,0,0,0,0,2|2,0,0]=4 8014 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_200025704644_100000753625 [0,0,0,0,0,2|2,0,0]=4