0 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,0,0,0,0,0|2,1,0]=3 16 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,0,0,0,0,0|2,1,0]=3 17 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,0,0,0,0,0|2,1,0]=3 18 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,0,0,0,0,0|2,1,0]=3 19 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,0,0,0,0,0|2,1,0]=3 20 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [0,0,0,0,0,0|3,1,0]=4 24 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [0,0,0,0,0,0|3,1,0]=4 28 B11R1.3 C=C(C)c1ccc(nn1)OC 271570a_100000694244_100009819040 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.3 C=C(C)c1cnc(nc1)OC 271570a_100000694244_100000686852 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.3 C=C(C)c1ncc(cn1)OC 271570a_100000694244_100000069167 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.3 C=Cc1ccc(cc1)B(O)O 271570a_100011290941_100000754493 [0,0,0,0,0,0|2,0,2]=4 33 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,0,0,0,0,0|2,0,1]=3 37 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,0,0,0,0,0|2,0,2]=4 39 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,0,0,0,0,0|1,0,0]=1 47 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,0,0,0,0,0|1,0,0]=1 48 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,0,0,0,0,0|1,1,0]=2 49 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,0,0,0,0,0|1,1,0]=2 50 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,0,0,0,0,0|2,0,0]=2 51 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,0,0,0,0,0|2,1,0]=3 53 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,0,0,0,0,0|2,1,0]=3 54 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,0,0,0,0,0|2,1,0]=3 55 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,0,0,0,0,0|2,1,0]=3 56 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,0,0,0,0,0|3,1,0]=4 57 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,0,0,0,0,0|3,1,0]=4 58 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [0,0,0,0,0,0|3,1,0]=4 59 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [0,0,0,0,0,0|3,1,0]=4 60 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,0,0,0,0,0|3,1,0]=4 61 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,0,0,0,0,0|3,1,0]=4 62 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,0,0,0,0,0|2,0,1]=3 66 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,0,0,0,0,0|2,0,1]=3 67 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [0,0,0,0,0,0|2,1,1]=4 68 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [0,0,0,0,0,0|2,1,1]=4 69 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,0,0,0,0,0|2,0,1]=3 70 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,0,0,0,0,0|2,0,1]=3 71 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,0,0,0,0,0|1,0,1]=2 72 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,0,0,0,0,0|1,0,1]=2 73 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,0,0,0,0,0|1,1,1]=3 74 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,0,0,0,0,0|1,1,1]=3 75 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [0,0,0,0,0,0|2,1,1]=4 76 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [0,0,0,0,0,0|2,1,1]=4 77 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [0,0,0,0,0,0|2,1,1]=4 78 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [0,0,0,0,0,0|2,1,1]=4 79 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [0,0,0,0,0,0|3,1,0]=4 84 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [0,0,0,0,0,0|3,1,0]=4 85 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,0,0,0,0,0|2,0,0]=2 87 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [0,0,0,0,0,0|3,0,1]=4 89 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,0,0,0,0,0|2,0,1]=3 91 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,0,0,0,0,0|2,0,1]=3 92 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [0,0,0,0,0,0|3,0,1]=4 93 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [0,0,0,0,0,0|3,0,1]=4 94 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,0,0,0,0,0|2,0,1]=3 96 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,0,0,0,0,0|2,0,1]=3 97 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.3 CNc1ccc(nn1)C(=O)N 27a_100102657272_100000761398 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,0,0,0,0,0|1,0,0]=1 104 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,0,0,0,0,0|1,0,0]=1 105 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,0,0,0,0,0|1,0,0]=1 106 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,0,0,0,0,0|1,0,0]=1 107 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,0,0,0,0,0|1,0,0]=1 108 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,0,0,0,0,0|1,0,0]=1 109 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,0,0,0,0,0|2,0,1]=3 110 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,0,0,0,0,0|2,0,1]=3 111 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,0,0,0,0,0|1,0,1]=2 112 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,0,0,0,0,0|1,0,1]=2 113 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,0,0,0,0,0|3,0,0]=3 116 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,0,0,0,0,0|2,0,0]=2 121 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,0,0,0,0,0|2,0,0]=2 122 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,0,0,0,0,0|2,0,1]=3 123 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,0,0,0,0,0|1,0,1]=2 124 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,0,0,0,0,0|1,0,1]=2 125 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,0,0,0,0,0|2,0,0]=2 128 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,0,0,0,0,0|2,0,0]=2 129 B11R1.3 COc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200000210301 [0,0,0,0,0,0|2,0,1]=3 130 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,0,0,0,0,0|2,0,0]=2 131 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,0,0,0,0,0|2,0,0]=2 132 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,0,0,0,0,0|2,1,0]=3 133 B11R1.3 CSc1ccc(cc1)B(O)O 62a_100000754493_200000210301 [0,0,0,0,0,0|1,1,1]=3 134 B11R1.3 CSc1ccc(cc1)B(O)O 62a_200000210301_100000754493 [0,0,0,0,0,0|1,1,1]=3 135 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,0,0,0,0,0|1,1,0]=2 136 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,0,0,0,0,0|1,1,0]=2 137 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,0,0,0,0,0|1,1,0]=2 138 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,0,0,0,0,0|1,1,0]=2 139 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,0,0,0,0,0|1,1,0]=2 140 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,0,0,0,0,0|1,1,0]=2 141 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [0,0,0,0,0,0|2,1,1]=4 142 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [0,0,0,0,0,0|2,1,1]=4 143 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,0,0,0,0,0|1,1,1]=3 144 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,0,0,0,0,0|1,1,1]=3 145 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [0,0,0,0,0,0|2,1,1]=4 146 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [0,0,0,0,0,0|2,1,1]=4 147 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [0,0,0,0,0,0|3,1,0]=4 148 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [0,0,0,0,0,0|3,1,0]=4 149 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,0,0,0,0,0|2,1,0]=3 150 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [0,0,0,0,0,0|2,1,1]=4 151 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [0,0,0,0,0,0|2,1,1]=4 152 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [0,0,0,0,0,0|2,1,1]=4 153 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [0,0,0,0,0,0|2,1,1]=4 154 B11R1.3 CSc1ccc(cn1)B(O)O 62a_100000688115_200000210301 [0,0,0,0,0,0|2,1,1]=4 155 B11R1.3 CSc1ccc(cn1)B(O)O 62a_200000210301_100000688115 [0,0,0,0,0,0|2,1,1]=4 156 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,0,0,0,0,0|2,1,0]=3 157 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,0,0,0,0,0|2,1,0]=3 158 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,0,0,0,0,0|2,1,0]=3 159 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,0,0,0,0,0|2,1,0]=3 160 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [0,0,0,0,0,0|2,1,1]=4 161 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [0,0,0,0,0,0|2,1,1]=4 162 B11R1.3 CSc1ccc(nc1)B(O)O 62a_200000210301_200010198023 [0,0,0,0,0,0|2,1,1]=4 163 B11R1.3 CSc1ccc(nc1)B(O)O 62a_200010198023_200000210301 [0,0,0,0,0,0|2,1,1]=4 164 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,0,0,0,0,0|2,1,0]=3 165 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,0,0,0,0,0|2,1,0]=3 166 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,0,0,0,0,0|2,1,0]=3 167 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,0,0,0,0,0|2,1,0]=3 168 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [0,0,0,0,0,0|2,1,1]=4 169 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [0,0,0,0,0,0|2,1,1]=4 170 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_100000761398_200000210301 [0,0,0,0,0,0|3,1,0]=4 171 B11R1.3 CSc1ccc(nn1)C(=O)N 62a_200000210301_100000761398 [0,0,0,0,0,0|3,1,0]=4 172 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,0,0,0,0,0|3,1,0]=4 173 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,0,0,0,0,0|3,1,0]=4 174 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,0,0,0,0,0|3,1,0]=4 175 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,0,0,0,0,0|3,1,0]=4 176 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,0,0,0,0,0|3,1,0]=4 177 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,0,0,0,0,0|3,1,0]=4 178 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_100009996756_200000210301 [0,0,0,0,0,0|3,1,0]=4 179 B11R1.3 CSc1cnc(nc1)C(=O)N 62a_200000210301_100009996756 [0,0,0,0,0,0|3,1,0]=4 180 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [0,0,0,0,0,0|3,1,0]=4 181 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [0,0,0,0,0,0|3,1,0]=4 182 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [0,0,0,0,0,0|2,1,1]=4 183 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [0,0,0,0,0,0|2,1,1]=4 184 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,0,0,0,0,0|2,0,1]=3 185 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [0,0,0,0,0,0|2,1,1]=4 186 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [0,0,0,0,0,0|2,1,1]=4 187 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,0,0,0,0,0|3,0,0]=3 188 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,0,0,0,0,0|3,0,0]=3 189 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,0,0,0,0,0|3,0,0]=3 190 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,0,0,0,0,0|3,0,0]=3 191 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,0,0,0,0,0|2,0,0]=2 192 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [0,0,0,0,0,0|3,0,1]=4 193 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [0,0,0,0,0,0|3,0,1]=4 194 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,0,0,0,0,0|2,0,1]=3 195 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,0,0,0,0,0|2,0,1]=3 196 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,0,0,0,0,0|1,0,0]=1 197 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,0,0,0,0,0|1,0,0]=1 198 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,0,0,0,0,0|1,0,1]=2 199 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,0,0,0,0,0|1,0,1]=2 200 B11R1.3 [13CH3]Oc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_200025704644 [0,0,0,0,0,0|2,0,1]=3 201 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_100000754493_200025704644 [0,0,0,0,0,0|1,1,1]=3 202 B11R1.3 [13CH3]Sc1ccc(cc1)B(O)O 62a_200025704644_100000754493 [0,0,0,0,0,0|1,1,1]=3 203 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,0,0,0,0,0|1,1,0]=2 204 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,0,0,0,0,0|1,1,0]=2 205 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [0,0,0,0,0,0|2,1,1]=4 206 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [0,0,0,0,0,0|2,1,1]=4 207 B11R1.3 [13CH3]Sc1ccc(cn1)B(O)O 62a_100000688115_200025704644 [0,0,0,0,0,0|2,1,1]=4 208 B11R1.3 [13CH3]Sc1ccc(cn1)B(O)O 62a_200025704644_100000688115 [0,0,0,0,0,0|2,1,1]=4 209 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,0,0,0,0,0|2,1,0]=3 210 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,0,0,0,0,0|2,1,0]=3 211 B11R1.3 [13CH3]Sc1ccc(nc1)B(O)O 62a_200010198023_200025704644 [0,0,0,0,0,0|2,1,1]=4 212 B11R1.3 [13CH3]Sc1ccc(nc1)B(O)O 62a_200025704644_200010198023 [0,0,0,0,0,0|2,1,1]=4 213 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,0,0,0,0,0|2,1,0]=3 214 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,0,0,0,0,0|2,1,0]=3 215 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_100000761398_200025704644 [0,0,0,0,0,0|3,1,0]=4 216 B11R1.3 [13CH3]Sc1ccc(nn1)C(=O)N 62a_200025704644_100000761398 [0,0,0,0,0,0|3,1,0]=4 217 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,0,0,0,0,0|3,1,0]=4 218 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,0,0,0,0,0|3,1,0]=4 219 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_100009996756_200025704644 [0,0,0,0,0,0|3,1,0]=4 220 B11R1.3 [13CH3]Sc1cnc(nc1)C(=O)N 62a_200025704644_100009996756 [0,0,0,0,0,0|3,1,0]=4 221 B10R1.3 C#Cc1ccc(cc1)NC 34a_100011215031_200000210301 [1,0,0,0,0,0|2,0,1]=4 222 B10R1.3 C#Cc1ccc(cc1)N[13CH3] 34a_100011215031_200025704644 [1,0,0,0,0,0|2,0,1]=4 223 B10R1.3 C#Cc1ccc(nc1)OC 34a_200009884252_200000210301 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.3 C#Cc1ccc(nc1)O[13CH3] 34a_200009884252_200025704644 [1,0,0,0,0,0|2,0,1]=4 225 B10R1.3 C=Cc1ccc(cc1)C#N 271570a_100011290941_100000179745 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.3 C=Cc1ccc(cc1)C=O 271570a_100011290941_100000186029 [1,0,0,0,0,0|1,0,1]=3 227 B10R1.3 C=Cc1ccc(cc1)CC 271570a_100011290941_100011215824 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.3 C=Cc1ccc(cc1)CF 271570a_100011290941_100010268989 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.3 C=Cc1ccc(cc1)CN 271570a_100011290941_100016989417 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [1,0,0,0,0,0|1,0,2]=4 231 B10R1.3 C=Cc1ccc(cc1)NC 271570a_100011290941_100000219623 [1,0,0,0,0,0|2,0,0]=3 232 B10R1.3 C=Cc1ccc(cc1)NC 34a_100011218248_200000210301 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.3 C=Cc1ccc(cc1)NN 271570a_100011290941_100016988836 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.3 C=Cc1ccc(cc1)N[13CH3] 34a_100011218248_200025704644 [1,0,0,0,0,0|2,0,0]=3 235 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [1,0,0,0,0,0|1,0,0]=2 236 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [1,0,0,0,0,0|1,0,0]=2 237 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [1,0,0,0,0,0|1,0,0]=2 238 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [1,0,0,0,0,0|1,0,0]=2 239 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [1,0,0,0,0,0|1,0,0]=2 240 B10R1.3 C=Cc1ccc(cc1)SC 271570a_100011290941_100011263217 [1,0,0,0,0,0|1,1,0]=3 241 B10R1.3 C=Cc1ccc(cc1)SC 62a_100000748128_200000210301 [1,0,0,0,0,0|1,1,0]=3 242 B10R1.3 C=Cc1ccc(cc1)SC 62a_200000210301_100000748128 [1,0,0,0,0,0|1,1,0]=3 243 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_100000748128_200025704644 [1,0,0,0,0,0|1,1,0]=3 244 B10R1.3 C=Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000748128 [1,0,0,0,0,0|1,1,0]=3 245 B10R1.3 C=Cc1ccc(cn1)C=O 271570a_100011290941_100000766901 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.3 C=Cc1ccc(cn1)CC 271570a_100011290941_100009843584 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.3 C=Cc1ccc(cn1)NC 271570a_100011290941_100000764248 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.3 C=Cc1ccc(cn1)SC 271570a_100011290941_100009820866 [1,0,0,0,0,0|2,1,0]=4 250 B10R1.3 C=Cc1ccc(nc1)C=O 271570a_100011290941_100000754260 [1,0,0,0,0,0|2,0,1]=4 251 B10R1.3 C=Cc1ccc(nc1)CC 271570a_100011290941_100009820025 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.3 C=Cc1ccc(nc1)NC 271570a_100011290941_100000741341 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.3 C=Cc1ccc(nc1)SC 271570a_100011290941_100011408404 [1,0,0,0,0,0|2,1,0]=4 255 B10R1.3 C=Cc1ccc(nc1)SC 62a_103436540071_200000210301 [1,0,0,0,0,0|2,1,0]=4 256 B10R1.3 C=Cc1ccc(nc1)SC 62a_200000210301_103436540071 [1,0,0,0,0,0|2,1,0]=4 257 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_103436540071_200025704644 [1,0,0,0,0,0|2,1,0]=4 258 B10R1.3 C=Cc1ccc(nc1)S[13CH3] 62a_200025704644_103436540071 [1,0,0,0,0,0|2,1,0]=4 259 B10R1.3 C=Cc1ccc(nn1)OC 271570a_100011290941_100009819040 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.3 C=Cc1cnc(cn1)OC 271570a_100011290941_100011998698 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.3 C=Cc1cnc(nc1)OC 271570a_100011290941_100000686852 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.3 C=Cc1ncc(cn1)OC 271570a_100011290941_100000069167 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [1,0,0,0,0,0|2,0,1]=4 264 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [1,0,0,0,0,0|2,0,1]=4 266 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [1,0,0,0,0,0|2,0,1]=4 267 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [1,0,0,0,0,0|1,0,1]=3 268 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [1,0,0,0,0,0|1,0,1]=3 269 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [1,0,0,0,0,0|1,0,1]=3 270 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [1,0,0,0,0,0|1,0,1]=3 271 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [1,0,0,0,0,0|1,1,1]=4 272 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [1,0,0,0,0,0|1,1,1]=4 273 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [1,0,0,0,0,0|1,1,1]=4 274 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [1,0,0,0,0,0|1,1,1]=4 275 B10R1.3 CNc1ccc(cc1)C#N 34a_100000185469_200000210301 [1,0,0,0,0,0|2,0,1]=4 276 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [1,0,0,0,0,0|1,0,1]=3 277 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [1,0,0,0,0,0|1,0,1]=3 278 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [1,0,0,0,0,0|2,1,0]=4 282 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [1,0,0,0,0,0|2,1,0]=4 283 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [1,0,0,0,0,0|2,1,0]=4 284 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [1,0,0,0,0,0|2,1,0]=4 285 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [1,0,0,0,0,0|2,1,0]=4 286 B10R1.3 CNc1cnc(cn1)C=O 27a_100102657272_100012001714 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.3 CNc1ncc(cn1)C=O 27a_100102657272_100000070856 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 289 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [1,0,0,0,0,0|1,0,1]=3 290 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [1,0,0,0,0,0|1,0,1]=3 291 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [1,0,0,0,0,0|0,0,1]=2 292 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [1,0,0,0,0,0|2,0,0]=3 297 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [1,0,0,0,0,0|2,0,0]=3 298 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [1,0,0,0,0,0|2,0,1]=4 299 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.3 COc1ccc(nc1)C#N 34a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 305 B10R1.3 COc1ccc(nc1)C#N 7a_100011934750_200000210301 [1,0,0,0,0,0|2,0,1]=4 306 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [1,0,0,0,0,0|1,0,1]=3 308 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.3 CSc1ccc(cc1)C#N 62a_200000210301_100000184291 [1,0,0,0,0,0|1,1,1]=4 316 B10R1.3 CSc1ccc(cc1)C=O 62a_100000188517_200000210301 [1,0,0,0,0,0|0,1,0]=2 317 B10R1.3 CSc1ccc(cc1)C=O 62a_200000210301_100000188517 [1,0,0,0,0,0|0,1,0]=2 318 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [1,0,0,0,0,0|1,1,1]=4 319 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [1,0,0,0,0,0|1,1,1]=4 320 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [1,0,0,0,0,0|1,1,1]=4 321 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [1,0,0,0,0,0|1,1,1]=4 322 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [1,0,0,0,0,0|0,1,1]=3 323 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [1,0,0,0,0,0|0,1,1]=3 324 B10R1.3 CSc1ccc(cc1)NN 62a_100016988836_200000210301 [1,0,0,0,0,0|2,1,0]=4 325 B10R1.3 CSc1ccc(cc1)NN 62a_200000210301_100016988836 [1,0,0,0,0,0|2,1,0]=4 326 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [1,0,0,0,0,0|2,1,0]=4 327 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [1,0,0,0,0,0|2,0,0]=3 328 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [1,0,0,0,0,0|2,1,0]=4 329 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [1,0,0,0,0,0|2,1,0]=4 330 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [1,0,0,0,0,0|2,1,0]=4 331 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [1,0,0,0,0,0|2,1,0]=4 332 B10R1.3 CSc1ccc(cn1)C=O 62a_100000766901_200000210301 [1,0,0,0,0,0|1,1,0]=3 333 B10R1.3 CSc1ccc(cn1)C=O 62a_200000210301_100000766901 [1,0,0,0,0,0|1,1,0]=3 334 B10R1.3 CSc1ccc(cn1)CO 62a_100009816760_200000210301 [1,0,0,0,0,0|1,1,1]=4 335 B10R1.3 CSc1ccc(cn1)CO 62a_200000210301_100009816760 [1,0,0,0,0,0|1,1,1]=4 336 B10R1.3 CSc1ccc(nc1)C=O 62a_100000754260_200000210301 [1,0,0,0,0,0|1,1,0]=3 337 B10R1.3 CSc1ccc(nc1)C=O 62a_200000210301_100000754260 [1,0,0,0,0,0|1,1,0]=3 338 B10R1.3 CSc1ccc(nc1)CO 62a_100000754261_200000210301 [1,0,0,0,0,0|1,1,1]=4 339 B10R1.3 CSc1ccc(nc1)CO 62a_200000210301_100000754261 [1,0,0,0,0,0|1,1,1]=4 340 B10R1.3 CSc1ccc(nn1)C=O 62a_100000044651_200000210301 [1,0,0,0,0,0|2,1,0]=4 341 B10R1.3 CSc1ccc(nn1)C=O 62a_200000210301_100000044651 [1,0,0,0,0,0|2,1,0]=4 342 B10R1.3 CSc1cnc(cn1)C=O 62a_100012001714_200000210301 [1,0,0,0,0,0|2,1,0]=4 343 B10R1.3 CSc1cnc(cn1)C=O 62a_200000210301_100012001714 [1,0,0,0,0,0|2,1,0]=4 344 B10R1.3 CSc1ncc(cn1)C=O 62a_100000070856_200000210301 [1,0,0,0,0,0|2,1,0]=4 345 B10R1.3 CSc1ncc(cn1)C=O 62a_200000210301_100000070856 [1,0,0,0,0,0|2,1,0]=4 346 B10R1.3 [13CH3]Nc1ccc(cc1)C#N 34a_100000185469_200025704644 [1,0,0,0,0,0|2,0,1]=4 347 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [1,0,0,0,0,0|1,0,1]=3 348 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [1,0,0,0,0,0|1,0,1]=3 349 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 350 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [1,0,0,0,0,0|1,0,1]=3 351 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [1,0,0,0,0,0|1,0,1]=3 352 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [1,0,0,0,0,0|0,0,1]=2 353 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [1,0,0,0,0,0|2,0,1]=4 354 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 34a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 355 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 7a_100011934750_200025704644 [1,0,0,0,0,0|2,0,1]=4 356 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [1,0,0,0,0,0|2,0,1]=4 357 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [1,0,0,0,0,0|1,0,1]=3 358 B10R1.3 [13CH3]Sc1ccc(cc1)C#N 62a_200025704644_100000184291 [1,0,0,0,0,0|1,1,1]=4 359 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_100000188517_200025704644 [1,0,0,0,0,0|0,1,0]=2 360 B10R1.3 [13CH3]Sc1ccc(cc1)C=O 62a_200025704644_100000188517 [1,0,0,0,0,0|0,1,0]=2 361 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [1,0,0,0,0,0|1,1,1]=4 362 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [1,0,0,0,0,0|1,1,1]=4 363 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [1,0,0,0,0,0|1,1,1]=4 364 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [1,0,0,0,0,0|1,1,1]=4 365 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [1,0,0,0,0,0|0,1,1]=3 366 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [1,0,0,0,0,0|0,1,1]=3 367 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_100016988836_200025704644 [1,0,0,0,0,0|2,1,0]=4 368 B10R1.3 [13CH3]Sc1ccc(cc1)NN 62a_200025704644_100016988836 [1,0,0,0,0,0|2,1,0]=4 369 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_100000766901_200025704644 [1,0,0,0,0,0|1,1,0]=3 370 B10R1.3 [13CH3]Sc1ccc(cn1)C=O 62a_200025704644_100000766901 [1,0,0,0,0,0|1,1,0]=3 371 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_100009816760_200025704644 [1,0,0,0,0,0|1,1,1]=4 372 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_200025704644_100009816760 [1,0,0,0,0,0|1,1,1]=4 373 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_100000754260_200025704644 [1,0,0,0,0,0|1,1,0]=3 374 B10R1.3 [13CH3]Sc1ccc(nc1)C=O 62a_200025704644_100000754260 [1,0,0,0,0,0|1,1,0]=3 375 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_100000754261_200025704644 [1,0,0,0,0,0|1,1,1]=4 376 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_200025704644_100000754261 [1,0,0,0,0,0|1,1,1]=4 377 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_100000044651_200025704644 [1,0,0,0,0,0|2,1,0]=4 378 B10R1.3 [13CH3]Sc1ccc(nn1)C=O 62a_200025704644_100000044651 [1,0,0,0,0,0|2,1,0]=4 379 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_100012001714_200025704644 [1,0,0,0,0,0|2,1,0]=4 380 B10R1.3 [13CH3]Sc1cnc(cn1)C=O 62a_200025704644_100012001714 [1,0,0,0,0,0|2,1,0]=4 381 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_100000070856_200025704644 [1,0,0,0,0,0|2,1,0]=4 382 B10R1.3 [13CH3]Sc1ncc(cn1)C=O 62a_200025704644_100000070856 [1,0,0,0,0,0|2,1,0]=4 383 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|2,0,0]=3 385 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|2,0,0]=3 389 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|2,0,0]=3 390 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|2,0,0]=3 394 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|1,0,0]=2 395 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|2,0,0]=3 396 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|2,0,0]=3 397 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|2,0,0]=3 398 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|1,0,0]=2 399 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|1,0,0]=2 400 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|2,0,0]=3 401 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,0,0,0,0,0|3,0,0]=4 403 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,0,0,0,0,0|3,0,0]=4 404 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|2,0,1]=4 406 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|1,0,1]=3 407 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|2,0,1]=4 408 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|2,0,1]=4 409 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|2,0,0]=3 415 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|2,0,1]=4 416 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|2,0,1]=4 417 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|1,0,0]=2 418 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,0,0|3,0,0]=4 419 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,0,0|3,0,0]=4 421 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,0,0|3,0,0]=4 423 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,0,0|3,0,0]=4 424 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|1,0,0]=2 425 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,0,0|2,0,0]=3 426 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,0,0|2,0,0]=3 427 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,0,0,0,0,0|3,0,0]=4 429 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [1,0,0,0,0,0|3,0,0]=4 430 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|1,0,1]=3 431 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [1,0,0,0,0,0|2,0,1]=4 432 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [1,0,0,0,0,0|2,0,1]=4 433 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|2,0,1]=4 434 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|2,0,0]=3 435 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|2,0,0]=3 436 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|2,0,0]=3 437 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|2,0,0]=3 438 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|1,0,0]=2 439 B12R1.5 C#Cc1ccc(cc1)C(=O)CC 1458a_100011217615_100000210202 [0,1,0,0,0,0|2,0,1]=4 440 B12R1.5 C#Cc1ccc(cc1)C(=O)CF 1458a_100011217615_100015361967 [0,1,0,0,0,0|2,0,1]=4 441 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100011217615 [0,1,0,0,0,0|2,0,1]=4 442 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100011217615 [0,1,0,0,0,0|2,0,1]=4 443 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100011217615 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.5 C#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100011217615 [0,1,0,0,0,0|2,0,1]=4 445 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,1,0,0,0,0|2,0,1]=4 446 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,1,0,0,0,0|1,0,2]=4 447 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 1458a_100000687532_100000210202 [0,1,0,0,0,0|2,0,1]=4 448 B12R1.5 C=Cc1ccc(cc1)C(=O)CC 271570a_100011290941_100000211647 [0,1,0,0,0,0|2,0,1]=4 449 B12R1.5 C=Cc1ccc(cc1)C(=O)CF 1458a_100000687532_100015361967 [0,1,0,0,0,0|2,0,1]=4 450 B12R1.5 C=Cc1ccc(cc1)C(=O)CN 271570a_100011290941_100000017248 [0,1,0,0,0,0|2,0,1]=4 451 B12R1.5 C=Cc1ccc(cc1)C(=O)CO 271570a_100011290941_100011219529 [0,1,0,0,0,0|1,0,1]=3 452 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 11a_106832991635_100000687532 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100000687532 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100000687532 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 271570a_100011290941_100000155074 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.5 C=Cc1ccc(cc1)C(=O)NC 527a_100102657272_100000687532 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.5 C=Cc1ccc(cc1)C(=O)NN 271570a_100011290941_100000183614 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.5 C=Cc1ccc(cc1)C(=O)OC 271570a_100011290941_100000150774 [0,1,0,0,0,0|1,0,1]=3 459 B12R1.5 C=Cc1ccc(cn1)C(=O)OC 271570a_100011290941_100000733799 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.5 C=Cc1ccc(nc1)C(=O)OC 271570a_100011290941_100000690920 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,0,0,0,0|1,0,0]=2 462 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.5 CCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210202 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.5 CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210202 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.5 CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210202 [0,1,0,0,0,0|1,0,0]=2 467 B12R1.5 CCC(=O)c1ccc(cc1)OC 34a_100000212119_200000210301 [0,1,0,0,0,0|1,0,0]=2 468 B12R1.5 CCC(=O)c1ccc(cc1)OC 7a_100000212119_200000210301 [0,1,0,0,0,0|1,0,0]=2 469 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 34a_100000212119_200025704644 [0,1,0,0,0,0|1,0,0]=2 470 B12R1.5 CCC(=O)c1ccc(cc1)O[13CH3] 7a_100000212119_200025704644 [0,1,0,0,0,0|1,0,0]=2 471 B12R1.5 CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210202 [0,1,0,0,0,0|1,1,0]=3 472 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_100000211647_200000210301 [0,1,0,0,0,0|1,1,0]=3 473 B12R1.5 CCC(=O)c1ccc(cc1)SC 62a_200000210301_100000211647 [0,1,0,0,0,0|1,1,0]=3 474 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_100000211647_200025704644 [0,1,0,0,0,0|1,1,0]=3 475 B12R1.5 CCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000211647 [0,1,0,0,0,0|1,1,0]=3 476 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_100012351654_200000210301 [0,1,0,0,0,0|2,1,0]=4 477 B12R1.5 CCC(=O)c1ccc(cn1)SC 62a_200000210301_100012351654 [0,1,0,0,0,0|2,1,0]=4 478 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_100012351654_200025704644 [0,1,0,0,0,0|2,1,0]=4 479 B12R1.5 CCC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012351654 [0,1,0,0,0,0|2,1,0]=4 480 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,1,0,0,0,0|1,1,1]=4 487 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,1,0,0,0,0|1,1,1]=4 488 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,1,0,0,0,0|1,1,1]=4 489 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,1,0,0,0,0|1,1,1]=4 490 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.5 CCc1ccc(cc1)C(=O)CF 1458a_100000211226_100015361967 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.5 CCc1ccc(cc1)C(=O)NC 11a_106832991635_100000211226 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.5 CCc1ccc(cc1)C(=O)NC 1626a_100102657272_100000211226 [0,1,0,0,0,0|2,0,0]=3 496 B12R1.5 CCc1ccc(cc1)C(=O)NC 240690a_100102657272_100000211226 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.5 CCc1ccc(cc1)C(=O)NC 527a_100102657272_100000211226 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.5 CNC(=O)c1ccc(cc1)C#N 11a_106832991635_100000210717 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.5 CNC(=O)c1ccc(cc1)C#N 1626a_100102657272_100000210717 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.5 CNC(=O)c1ccc(cc1)C#N 240690a_100102657272_100000210717 [0,1,0,0,0,0|3,0,0]=4 505 B12R1.5 CNC(=O)c1ccc(cc1)C#N 527a_100102657272_100000210717 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.5 CNC(=O)c1ccc(cc1)CO 1626a_100102657272_100000183892 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.5 CNC(=O)c1ccc(cc1)CO 240690a_100102657272_100000183892 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.5 CNC(=O)c1ccc(cc1)NC 2230a_100000184841_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.5 CNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155074 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.5 CNC(=O)c1ccc(cc1)NC 34a_100000184841_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000184841_200025704644 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.5 CNC(=O)c1ccc(cc1)N[13CH3] 34a_100000184841_200025704644 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.5 CNC(=O)c1ccc(cc1)OC 11a_106832991635_100000184203 [0,1,0,0,0,0|1,0,0]=2 514 B12R1.5 CNC(=O)c1ccc(cc1)OC 1626a_100102657272_100000184203 [0,1,0,0,0,0|1,0,0]=2 515 B12R1.5 CNC(=O)c1ccc(cc1)OC 240690a_100102657272_100000184203 [0,1,0,0,0,0|1,0,0]=2 516 B12R1.5 CNC(=O)c1ccc(cc1)OC 34a_100000192141_200000210301 [0,1,0,0,0,0|1,0,0]=2 517 B12R1.5 CNC(=O)c1ccc(cc1)OC 527a_100102657272_100000184203 [0,1,0,0,0,0|1,0,0]=2 518 B12R1.5 CNC(=O)c1ccc(cc1)OC 7a_100000192141_200000210301 [0,1,0,0,0,0|1,0,0]=2 519 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 34a_100000192141_200025704644 [0,1,0,0,0,0|1,0,0]=2 520 B12R1.5 CNC(=O)c1ccc(cc1)O[13CH3] 7a_100000192141_200025704644 [0,1,0,0,0,0|1,0,0]=2 521 B12R1.5 CNC(=O)c1ccc(cc1)SC 11a_106832991635_100000189692 [0,1,0,0,0,0|1,1,0]=3 522 B12R1.5 CNC(=O)c1ccc(cc1)SC 1626a_100102657272_100000189692 [0,1,0,0,0,0|1,1,0]=3 523 B12R1.5 CNC(=O)c1ccc(cc1)SC 240690a_100102657272_100000189692 [0,1,0,0,0,0|1,1,0]=3 524 B12R1.5 CNC(=O)c1ccc(cc1)SC 527a_100102657272_100000189692 [0,1,0,0,0,0|1,1,0]=3 525 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_100000155074_200000210301 [0,1,0,0,0,0|1,1,0]=3 526 B12R1.5 CNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155074 [0,1,0,0,0,0|1,1,0]=3 527 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155074_200025704644 [0,1,0,0,0,0|1,1,0]=3 528 B12R1.5 CNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155074 [0,1,0,0,0,0|1,1,0]=3 529 B12R1.5 CNC(=O)c1ccc(cn1)NC 27a_100102657272_100011781262 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.5 CNC(=O)c1ccc(cn1)OC 34a_100009861314_200000210301 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.5 CNC(=O)c1ccc(cn1)OC 7a_100009861314_200000210301 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 34a_100009861314_200025704644 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.5 CNC(=O)c1ccc(cn1)O[13CH3] 7a_100009861314_200025704644 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_100011781262_200000210301 [0,1,0,0,0,0|2,1,0]=4 535 B12R1.5 CNC(=O)c1ccc(cn1)SC 62a_200000210301_100011781262 [0,1,0,0,0,0|2,1,0]=4 536 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_100011781262_200025704644 [0,1,0,0,0,0|2,1,0]=4 537 B12R1.5 CNC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781262 [0,1,0,0,0,0|2,1,0]=4 538 B12R1.5 CNC(=O)c1ccc(nc1)NC 27a_100102657272_100000159860 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_100000159860_200000210301 [0,1,0,0,0,0|2,1,0]=4 540 B12R1.5 CNC(=O)c1ccc(nc1)SC 62a_200000210301_100000159860 [0,1,0,0,0,0|2,1,0]=4 541 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_100000159860_200025704644 [0,1,0,0,0,0|2,1,0]=4 542 B12R1.5 CNC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000159860 [0,1,0,0,0,0|2,1,0]=4 543 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.5 CNc1ccc(cc1)C(=O)NN 27a_100102657272_100000183614 [0,1,0,0,0,0|2,0,0]=3 546 B12R1.5 CNc1ccc(cn1)C(=O)NN 27a_100102657272_100000189807 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.5 CNc1ccc(cn1)C(=O)OC 27a_100102657272_100000733799 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.5 CNc1ccc(nn1)C(=O)OC 27a_100102657272_100000738951 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.5 CNc1cnc(cn1)C(=O)OC 27a_100102657272_100010219404 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.5 CNc1ncc(cn1)C(=O)OC 27a_100102657272_100000729365 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.5 COC(=O)c1ccc(cc1)OC 34a_100000150123_200000210301 [0,1,0,0,0,0|0,0,0]=1 552 B12R1.5 COC(=O)c1ccc(cc1)OC 7a_100000150123_200000210301 [0,1,0,0,0,0|0,0,0]=1 553 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 34a_100000150123_200025704644 [0,1,0,0,0,0|0,0,0]=1 554 B12R1.5 COC(=O)c1ccc(cc1)O[13CH3] 7a_100000150123_200025704644 [0,1,0,0,0,0|0,0,0]=1 555 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_100000150774_200000210301 [0,1,0,0,0,0|0,1,0]=2 556 B12R1.5 COC(=O)c1ccc(cc1)SC 62a_200000210301_100000150774 [0,1,0,0,0,0|0,1,0]=2 557 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_100000150774_200025704644 [0,1,0,0,0,0|0,1,0]=2 558 B12R1.5 COC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000150774 [0,1,0,0,0,0|0,1,0]=2 559 B12R1.5 COC(=O)c1ccc(cn1)OC 34a_100011997255_200000210301 [0,1,0,0,0,0|1,0,0]=2 560 B12R1.5 COC(=O)c1ccc(cn1)OC 7a_100011997255_200000210301 [0,1,0,0,0,0|1,0,0]=2 561 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 34a_100011997255_200025704644 [0,1,0,0,0,0|1,0,0]=2 562 B12R1.5 COC(=O)c1ccc(cn1)O[13CH3] 7a_100011997255_200025704644 [0,1,0,0,0,0|1,0,0]=2 563 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_100102712061_200000210301 [0,1,0,0,0,0|1,1,0]=3 564 B12R1.5 COC(=O)c1ccc(cn1)SC 62a_200000210301_100102712061 [0,1,0,0,0,0|1,1,0]=3 565 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_100102712061_200025704644 [0,1,0,0,0,0|1,1,0]=3 566 B12R1.5 COC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100102712061 [0,1,0,0,0,0|1,1,0]=3 567 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_100000733799_200000210301 [0,1,0,0,0,0|1,1,0]=3 568 B12R1.5 COC(=O)c1ccc(nc1)SC 62a_200000210301_100000733799 [0,1,0,0,0,0|1,1,0]=3 569 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_100000733799_200025704644 [0,1,0,0,0,0|1,1,0]=3 570 B12R1.5 COC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000733799 [0,1,0,0,0,0|1,1,0]=3 571 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_100000738951_200000210301 [0,1,0,0,0,0|2,1,0]=4 572 B12R1.5 COC(=O)c1ccc(nn1)SC 62a_200000210301_100000738951 [0,1,0,0,0,0|2,1,0]=4 573 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_100000738951_200025704644 [0,1,0,0,0,0|2,1,0]=4 574 B12R1.5 COC(=O)c1ccc(nn1)S[13CH3] 62a_200025704644_100000738951 [0,1,0,0,0,0|2,1,0]=4 575 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_100010219404_200000210301 [0,1,0,0,0,0|2,1,0]=4 576 B12R1.5 COC(=O)c1cnc(cn1)SC 62a_200000210301_100010219404 [0,1,0,0,0,0|2,1,0]=4 577 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_100010219404_200025704644 [0,1,0,0,0,0|2,1,0]=4 578 B12R1.5 COC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100010219404 [0,1,0,0,0,0|2,1,0]=4 579 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_100000729365_200000210301 [0,1,0,0,0,0|2,1,0]=4 580 B12R1.5 COC(=O)c1cnc(nc1)SC 62a_200000210301_100000729365 [0,1,0,0,0,0|2,1,0]=4 581 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_100000729365_200025704644 [0,1,0,0,0,0|2,1,0]=4 582 B12R1.5 COC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000729365 [0,1,0,0,0,0|2,1,0]=4 583 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_100000690087_200000210301 [0,1,0,0,0,0|2,1,0]=4 584 B12R1.5 COC(=O)c1ncc(cn1)SC 62a_200000210301_100000690087 [0,1,0,0,0,0|2,1,0]=4 585 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_100000690087_200025704644 [0,1,0,0,0,0|2,1,0]=4 586 B12R1.5 COC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100000690087 [0,1,0,0,0,0|2,1,0]=4 587 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,1,0,0,0,0|1,0,1]=3 588 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,1,0,0,0,0|1,0,1]=3 589 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,1,0,0,0,0|1,1,1]=4 590 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,1,0,0,0,0|1,1,1]=4 591 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,1,0,0,0,0|1,1,1]=4 592 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,1,0,0,0,0|1,1,1]=4 593 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,0,0,0,0|1,0,0]=2 594 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,1,0,0,0,0|1,0,0]=2 595 B12R1.5 COc1ccc(cc1)C(=O)CBr 7a_100009814261_200000210301 [0,1,0,0,0,0|1,0,0]=2 596 B12R1.5 COc1ccc(cc1)C(=O)CCl 7a_100000018856_200000210301 [0,1,0,0,0,0|1,0,0]=2 597 B12R1.5 COc1ccc(cc1)C(=O)CF 1458a_100000184203_100015361967 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.5 COc1ccc(cc1)C(=O)CF 34a_200010654591_200000210301 [0,1,0,0,0,0|1,0,0]=2 599 B12R1.5 COc1ccc(cc1)C(=O)CF 7a_200010654591_200000210301 [0,1,0,0,0,0|1,0,0]=2 600 B12R1.5 COc1ccc(cc1)C(=O)NN 34a_100000185078_200000210301 [0,1,0,0,0,0|1,0,0]=2 601 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,1,0,0,0,0|1,0,1]=3 603 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,1,0,0,0,0|1,0,1]=3 604 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,1,0,0,0,0|1,0,1]=3 605 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,1,0,0,0,0|1,0,1]=3 606 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,1,0,0,0,0|1,0,1]=3 607 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,1,0,0,0,0|1,0,1]=3 608 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,1,0,0,0,0|1,0,1]=3 609 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,1,0,0,0,0|1,1,0]=3 613 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,1,0,0,0,0|0,1,1]=3 614 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,1,0,0,0,0|0,1,1]=3 615 B12R1.5 CSc1ccc(cc1)C(=O)CF 1458a_100000189692_100015361967 [0,1,0,0,0,0|1,1,0]=3 616 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_100000017248_200000210301 [0,1,0,0,0,0|1,1,0]=3 617 B12R1.5 CSc1ccc(cc1)C(=O)CN 62a_200000210301_100000017248 [0,1,0,0,0,0|1,1,0]=3 618 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_100011219529_200000210301 [0,1,0,0,0,0|0,1,0]=2 619 B12R1.5 CSc1ccc(cc1)C(=O)CO 62a_200000210301_100011219529 [0,1,0,0,0,0|0,1,0]=2 620 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_100000183614_200000210301 [0,1,0,0,0,0|1,1,0]=3 621 B12R1.5 CSc1ccc(cc1)C(=O)NN 62a_200000210301_100000183614 [0,1,0,0,0,0|1,1,0]=3 622 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,1,0,0,0,0|1,1,1]=4 623 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,1,0,0,0,0|1,1,1]=4 624 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,1,0,0,0,0|1,1,1]=4 625 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,1,0,0,0,0|1,1,1]=4 626 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,1,0,0,0,0|0,1,2]=4 627 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,1,0,0,0,0|0,1,2]=4 628 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_100000189807_200000210301 [0,1,0,0,0,0|2,1,0]=4 629 B12R1.5 CSc1ccc(cn1)C(=O)NN 62a_200000210301_100000189807 [0,1,0,0,0,0|2,1,0]=4 630 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_100011781063_200000210301 [0,1,0,0,0,0|2,1,0]=4 631 B12R1.5 CSc1ccc(nc1)C(=O)NN 62a_200000210301_100011781063 [0,1,0,0,0,0|2,1,0]=4 632 B12R1.5 N#Cc1ccc(cc1)C(=O)CF 1458a_100000210717_100015361967 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.5 O=C(CF)c1ccc(cc1)CO 1458a_100000183892_100015361967 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,1,0,0,0,0|1,0,0]=2 635 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CBr 7a_100009814261_200025704644 [0,1,0,0,0,0|1,0,0]=2 636 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CCl 7a_100000018856_200025704644 [0,1,0,0,0,0|1,0,0]=2 637 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 34a_200010654591_200025704644 [0,1,0,0,0,0|1,0,0]=2 638 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)CF 7a_200010654591_200025704644 [0,1,0,0,0,0|1,0,0]=2 639 B12R1.5 [13CH3]Oc1ccc(cc1)C(=O)NN 34a_100000185078_200025704644 [0,1,0,0,0,0|1,0,0]=2 640 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,1,0,0,0,0|1,0,1]=3 641 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,1,0,0,0,0|1,1,0]=3 642 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,1,0,0,0,0|0,1,1]=3 643 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,1,0,0,0,0|0,1,1]=3 644 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_100000017248_200025704644 [0,1,0,0,0,0|1,1,0]=3 645 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CN 62a_200025704644_100000017248 [0,1,0,0,0,0|1,1,0]=3 646 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_100011219529_200025704644 [0,1,0,0,0,0|0,1,0]=2 647 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)CO 62a_200025704644_100011219529 [0,1,0,0,0,0|0,1,0]=2 648 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_100000183614_200025704644 [0,1,0,0,0,0|1,1,0]=3 649 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)NN 62a_200025704644_100000183614 [0,1,0,0,0,0|1,1,0]=3 650 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,1,0,0,0,0|1,1,1]=4 651 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,1,0,0,0,0|1,1,1]=4 652 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,1,0,0,0,0|1,1,1]=4 653 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,1,0,0,0,0|1,1,1]=4 654 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,1,0,0,0,0|0,1,2]=4 655 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,1,0,0,0,0|0,1,2]=4 656 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_100000189807_200025704644 [0,1,0,0,0,0|2,1,0]=4 657 B12R1.5 [13CH3]Sc1ccc(cn1)C(=O)NN 62a_200025704644_100000189807 [0,1,0,0,0,0|2,1,0]=4 658 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_100011781063_200025704644 [0,1,0,0,0,0|2,1,0]=4 659 B12R1.5 [13CH3]Sc1ccc(nc1)C(=O)NN 62a_200025704644_100011781063 [0,1,0,0,0,0|2,1,0]=4 660 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 34a_100000185729_200025704644 [0,1,0,0,0,0|2,0,1]=4 661 B12R1.6 CC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000185729_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 34a_100000695648_200025704644 [0,1,0,0,0,0|1,0,1]=3 663 B12R1.6 CC(C)(O)c1ccc(cc1)O[13CH3] 7a_100000695648_200025704644 [0,1,0,0,0,0|1,0,1]=3 664 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_100000753367_200025704644 [0,1,0,0,0,0|1,1,1]=4 665 B12R1.6 CC(C)(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753367 [0,1,0,0,0,0|1,1,1]=4 666 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 34a_100000195502_200000210301 [0,1,0,0,0,0|2,0,1]=4 667 B12R1.6 CNc1ccc(cc1)S(=O)(=O)C 7a_100000195502_200000210301 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.6 CNc1ccc(cc1)S(=O)(=O)N 34a_100000182716_200000210301 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.6 COc1ccc(cc1)C(C)(C)C 34a_100000185729_200000210301 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.6 COc1ccc(cc1)C(C)(C)C 7a_100000185729_200000210301 [0,1,0,0,0,0|2,0,1]=4 671 B12R1.6 COc1ccc(cc1)C(C)(C)O 34a_100000695648_200000210301 [0,1,0,0,0,0|1,0,1]=3 672 B12R1.6 COc1ccc(cc1)C(C)(C)O 7a_100000695648_200000210301 [0,1,0,0,0,0|1,0,1]=3 673 B12R1.6 COc1ccc(cc1)C(F)(F)F 34a_100000181324_200000210301 [0,1,0,0,0,0|2,0,1]=4 674 B12R1.6 COc1ccc(cc1)C(F)(F)F 7a_100000181324_200000210301 [0,1,0,0,0,0|2,0,1]=4 675 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 34a_100000230201_200000210301 [0,1,0,0,0,0|1,0,1]=3 676 B12R1.6 COc1ccc(cc1)S(=O)(=O)C 7a_100000230201_200000210301 [0,1,0,0,0,0|1,0,1]=3 677 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200000210301 [0,1,0,0,0,0|1,0,1]=3 678 B12R1.6 COc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200000210301 [0,1,0,0,0,0|1,0,1]=3 679 B12R1.6 COc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200000210301 [0,1,0,0,0,0|1,0,1]=3 680 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 34a_100000195502_200025704644 [0,1,0,0,0,0|2,0,1]=4 681 B12R1.6 CS(=O)(=O)c1ccc(cc1)N[13CH3] 7a_100000195502_200025704644 [0,1,0,0,0,0|2,0,1]=4 682 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 34a_100000230201_200025704644 [0,1,0,0,0,0|1,0,1]=3 683 B12R1.6 CS(=O)(=O)c1ccc(cc1)O[13CH3] 7a_100000230201_200025704644 [0,1,0,0,0,0|1,0,1]=3 684 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_100000765142_200025704644 [0,1,0,0,0,0|1,1,1]=4 685 B12R1.6 CS(=O)(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000765142 [0,1,0,0,0,0|1,1,1]=4 686 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_100000753367_200000210301 [0,1,0,0,0,0|1,1,1]=4 687 B12R1.6 CSc1ccc(cc1)C(C)(C)O 62a_200000210301_100000753367 [0,1,0,0,0,0|1,1,1]=4 688 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_100000765142_200000210301 [0,1,0,0,0,0|1,1,1]=4 689 B12R1.6 CSc1ccc(cc1)S(=O)(=O)C 62a_200000210301_100000765142 [0,1,0,0,0,0|1,1,1]=4 690 B12R1.6 CSc1ccc(cc1)S(=O)(=O)N 62a_100000701559_200000210301 [0,1,0,0,0,0|1,1,1]=4 691 B12R1.6 CSc1ccc(cc1)S(=O)(=O)N 62a_200000210301_100000164505 [0,1,0,0,0,0|1,1,1]=4 692 B12R1.6 [13CH3]Nc1ccc(cc1)S(=O)(=O)N 34a_100000182716_200025704644 [0,1,0,0,0,0|2,0,1]=4 693 B12R1.6 [13CH3]Oc1ccc(cc1)C(F)(F)F 34a_100000181324_200025704644 [0,1,0,0,0,0|2,0,1]=4 694 B12R1.6 [13CH3]Oc1ccc(cc1)C(F)(F)F 7a_100000181324_200025704644 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 34a_100000738502_200025704644 [0,1,0,0,0,0|1,0,1]=3 696 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)N 7a_100000738502_200025704644 [0,1,0,0,0,0|1,0,1]=3 697 B12R1.6 [13CH3]Oc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_200025704644 [0,1,0,0,0,0|1,0,1]=3 698 B12R1.6 [13CH3]Sc1ccc(cc1)S(=O)(=O)N 62a_100000701559_200025704644 [0,1,0,0,0,0|1,1,1]=4 699 B12R1.6 [13CH3]Sc1ccc(cc1)S(=O)(=O)N 62a_200025704644_100000164505 [0,1,0,0,0,0|1,1,1]=4 700 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,1,0,0,0,0|2,0,1]=4 701 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,1,0,0,0,0|2,0,1]=4 702 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,1,0,0,0,0|2,0,1]=4 703 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,1,0,0,0,0|2,0,1]=4 704 B12R1.48 C=C(C)c1cc(c(cn1)OC)N 271570a_100000694244_100010896307 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.48 C=C(C)c1cc(c(cn1)OC)O 271570a_100000694244_100010264082 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.48 C=C(C)c1ccc(c(c1)C)NC 271570a_100000694244_100000221803 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,1,0,0,0,0|2,0,0]=3 709 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,1,0,0,0,0|2,0,0]=3 710 B12R1.48 C=C(C)c1ccc(c(c1)Cl)SC 271570a_100000694244_206447510565 [0,1,0,0,0,0|2,1,0]=4 711 B12R1.48 C=C(C)c1ccc(c(c1)F)CC 271570a_100000694244_200010071577 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.48 C=C(C)c1ccc(c(c1)F)NC 271570a_100000694244_100000743884 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,1,0,0,0,0|2,0,0]=3 714 B12R1.48 C=C(C)c1ccc(c(c1)F)SC 271570a_100000694244_100010161220 [0,1,0,0,0,0|2,1,0]=4 715 B12R1.48 C=C(C)c1ccc(c(c1)N)CC 271570a_100000694244_100012354963 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.48 C=C(C)c1ccc(c(c1)N)NC 271570a_100000694244_100000741790 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,1,0,0,0,0|2,0,0]=3 718 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,0,0,0,0|2,0,0]=3 719 B12R1.48 C=C(C)c1ccc(c(n1)Br)OC 271570a_100000694244_100010214827 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.48 C=C(C)c1ccc(c(n1)C)OC 271570a_100000694244_100010244750 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.48 C=C(C)c1ccc(c(n1)Cl)OC 271570a_100000694244_100010233546 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.48 C=C(C)c1ccc(c(n1)F)OC 271570a_100000694244_100010138636 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.48 C=C(C)c1ccc(c(n1)N)OC 271570a_100000694244_100010192976 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.48 C=C(C)c1cnc(c(c1)Br)OC 271570a_100000694244_200010988584 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.48 C=C(C)c1cnc(c(c1)C)OC 271570a_100000694244_100011290809 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.48 C=C(C)c1cnc(c(c1)F)OC 271570a_100000694244_100011880707 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.48 C=C(C)c1cnc(c(c1)N)OC 271570a_100000694244_100000748608 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.48 C=C(C)c1cnc(c(c1)O)OC 271570a_100000694244_100010135713 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,1,0,0,0,0|2,0,1]=4 733 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,1,0,0,0,0|2,0,1]=4 735 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,1,0,0,0,0|2,0,1]=4 736 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,0,0|2,0,1]=4 737 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_100011011822_200025704644 [0,1,0,0,0,0|2,1,0]=4 738 B12R1.48 CC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100011011822 [0,1,0,0,0,0|2,1,0]=4 739 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,0,0|1,0,0]=2 741 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,0,0|1,0,0]=2 742 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,1,0,0,0,0|1,1,0]=3 743 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,1,0,0,0,0|1,1,0]=3 744 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,0,0|1,0,0]=2 746 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,0,0|1,0,0]=2 747 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,1,0,0,0,0|1,1,0]=3 748 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,1,0,0,0,0|1,1,0]=3 749 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,0,0|1,0,0]=2 751 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,0,0|1,0,0]=2 752 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,0,0|1,0,0]=2 755 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,0,0|1,0,0]=2 756 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,1,0,0,0,0|1,1,0]=3 757 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,1,0,0,0,0|1,1,0]=3 758 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,0,0|1,0,0]=2 759 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,0,0|1,0,0]=2 760 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,1,0,0,0,0|1,1,0]=3 761 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_100009864263_200025704644 [0,1,0,0,0,0|2,1,0]=4 762 B12R1.48 CC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864263 [0,1,0,0,0,0|2,1,0]=4 763 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 34a_100012182850_200025704644 [0,1,0,0,0,0|2,0,1]=4 764 B12R1.48 CC(C)c1ccc(c(c1)Cl)O[13CH3] 7a_100012182850_200025704644 [0,1,0,0,0,0|2,0,1]=4 765 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 34a_200000187366_200025704644 [0,1,0,0,0,0|2,0,1]=4 766 B12R1.48 CC(C)c1ccc(c(c1)N)O[13CH3] 7a_200000187366_200025704644 [0,1,0,0,0,0|2,0,1]=4 767 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,0,0,0,0|2,0,0]=3 768 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,0,0,0,0|2,0,0]=3 769 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|2,0,0]=3 770 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|2,0,0]=3 771 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,1,0,0,0,0|2,0,0]=3 772 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,1,0,0,0,0|2,0,1]=4 776 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,1,0,0,0,0|2,0,1]=4 777 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,1,0,0,0,0|2,0,1]=4 778 B12R1.48 CNc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200000210301 [0,1,0,0,0,0|2,0,1]=4 779 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.48 CNc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200000210301 [0,1,0,0,0,0|2,0,1]=4 781 B12R1.48 CNc1ncc(cc1C)C(=O)C 27a_100102657272_100009864263 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,0,0|1,0,0]=2 783 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,0,0|1,0,0]=2 784 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,0,0|1,0,0]=2 785 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,0,0|1,0,0]=2 786 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,1,0,0,0,0|1,0,1]=3 787 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,1,0,0,0,0|1,0,1]=3 788 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,0,0|1,0,0]=2 789 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,0,0|1,0,0]=2 790 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,0,0|1,0,0]=2 791 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,0,0|1,0,0]=2 792 B12R1.48 COc1ccc(cc1C)C(C)C 34a_200012180908_200000210301 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.48 COc1ccc(cc1C)C(C)C 7a_200012180908_200000210301 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,1,0,0,0,0|1,0,1]=3 795 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,1,0,0,0,0|1,0,1]=3 796 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,0,0|1,0,0]=2 797 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,0,0|1,0,0]=2 798 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,0,0|1,0,0]=2 799 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,0,0|1,0,0]=2 800 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,0,0|1,0,0]=2 801 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,0,0|1,0,0]=2 802 B12R1.48 COc1ccc(cc1Cl)C(C)C 34a_100012182850_200000210301 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.48 COc1ccc(cc1Cl)C(C)C 7a_100012182850_200000210301 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,1,0,0,0,0|1,0,1]=3 805 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,1,0,0,0,0|1,0,1]=3 806 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,0,0|1,0,0]=2 807 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,0,0|1,0,0]=2 808 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,0,0|1,0,0]=2 809 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,0,0|1,0,0]=2 810 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,1,0,0,0,0|1,0,1]=3 811 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,1,0,0,0,0|1,0,1]=3 812 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,0,0|1,0,0]=2 813 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,0,0|1,0,0]=2 814 B12R1.48 COc1ccc(cc1I)N(C)C 269982a_114948341033_200000210301 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.48 COc1ccc(cc1I)N(C)C 34a_114948341033_200000210301 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.48 COc1ccc(cc1I)N(C)C 38a_114948341033_200000210301 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 269982a_114948341033_200025704644 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 34a_114948341033_200025704644 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.48 COc1ccc(cc1I)N(C)[13CH3] 38a_114948341033_200025704644 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,1,0,0,0,0|1,0,1]=3 821 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,1,0,0,0,0|1,0,1]=3 822 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,0,0|1,0,0]=2 823 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,0,0|1,0,0]=2 824 B12R1.48 COc1ccc(cc1N)C(C)C 34a_200000187366_200000210301 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.48 COc1ccc(cc1N)C(C)C 7a_200000187366_200000210301 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,1,0,0,0,0|1,0,1]=3 827 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|1,0,1]=3 828 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,0,0|1,0,0]=2 829 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,0,0|1,0,0]=2 830 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,0,0|1,0,0]=2 831 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,0,0|1,0,1]=3 832 B12R1.48 COc1ccc(nc1C)[N+](=O)[O-] 7a_100009862445_200000210301 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.48 COc1cnc(cc1C)[N+](=O)[O-] 7a_100015695027_200000210301 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.48 COc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200000210301 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,1,0,0,0,0|1,1,0]=3 836 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,1,0,0,0,0|1,1,0]=3 837 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,1,0,0,0,0|1,1,0]=3 838 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,1,0,0,0,0|1,1,0]=3 839 B12R1.48 CSc1ccc(cc1C)B(O)O 62a_100010089846_200000210301 [0,1,0,0,0,0|1,1,1]=4 840 B12R1.48 CSc1ccc(cc1C)B(O)O 62a_200000210301_100010089846 [0,1,0,0,0,0|1,1,1]=4 841 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,1,0,0,0,0|1,1,0]=3 842 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,1,0,0,0,0|1,1,0]=3 843 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,1,0,0,0,0|1,1,0]=3 844 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,1,0,0,0,0|1,1,0]=3 845 B12R1.48 CSc1ccc(cc1F)B(O)O 62a_100009813512_200000210301 [0,1,0,0,0,0|1,1,1]=4 846 B12R1.48 CSc1ccc(cc1F)B(O)O 62a_200000210301_100009813512 [0,1,0,0,0,0|1,1,1]=4 847 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,1,0,0,0,0|1,1,0]=3 848 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,1,0,0,0,0|1,1,0]=3 849 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,1,0,0,0,0|1,1,0]=3 850 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,1,0,0,0,0|1,1,0]=3 851 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,1,0,0,0,0|1,1,0]=3 852 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,0,0|1,1,0]=3 853 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,0,0|1,1,0]=3 854 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_100011011822_200000210301 [0,1,0,0,0,0|2,1,0]=4 855 B12R1.48 CSc1cnc(cc1C)C(=O)C 62a_200000210301_100011011822 [0,1,0,0,0,0|2,1,0]=4 856 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_100009864263_200000210301 [0,1,0,0,0,0|2,1,0]=4 857 B12R1.48 CSc1ncc(cc1C)C(=O)C 62a_200000210301_100009864263 [0,1,0,0,0,0|2,1,0]=4 858 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,1,0,0,0,0|2,0,1]=4 862 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,1,0,0,0,0|2,0,1]=4 863 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 34a_200012180908_200025704644 [0,1,0,0,0,0|2,0,1]=4 865 B12R1.48 Cc1cc(ccc1O[13CH3])C(C)C 7a_200012180908_200025704644 [0,1,0,0,0,0|2,0,1]=4 866 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,1,0,0,0,0|1,0,1]=3 867 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,1,0,0,0,0|1,0,1]=3 868 B12R1.48 Cc1cc(ccc1S[13CH3])B(O)O 62a_100010089846_200025704644 [0,1,0,0,0,0|1,1,1]=4 869 B12R1.48 Cc1cc(ccc1S[13CH3])B(O)O 62a_200025704644_100010089846 [0,1,0,0,0,0|1,1,1]=4 870 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,1,0,0,0,0|1,1,0]=3 871 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,1,0,0,0,0|1,1,0]=3 872 B12R1.48 Cc1cc(ncc1O[13CH3])[N+](=O)[O-] 7a_100015695027_200025704644 [0,1,0,0,0,0|2,0,1]=4 873 B12R1.48 Cc1nc(ccc1O[13CH3])[N+](=O)[O-] 7a_100009862445_200025704644 [0,1,0,0,0,0|2,0,1]=4 874 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.48 [13CH3]Nc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000185723_200025704644 [0,1,0,0,0,0|2,0,1]=4 879 B12R1.48 [13CH3]Nc1ccc(cc1F)[N+](=O)[O-] 34a_100000745739_200025704644 [0,1,0,0,0,0|2,0,1]=4 880 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,1,0,0,0,0|1,0,1]=3 881 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,1,0,0,0,0|1,0,1]=3 882 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,0,0|1,0,0]=2 883 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,0,0|1,0,0]=2 884 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,1,0,0,0,0|1,0,1]=3 885 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,1,0,0,0,0|1,0,1]=3 886 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,1,0,0,0,0|1,0,1]=3 887 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,1,0,0,0,0|1,0,1]=3 888 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,1,0,0,0,0|1,0,1]=3 889 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,1,0,0,0,0|1,0,1]=3 890 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,1,0,0,0,0|1,0,1]=3 891 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|1,0,1]=3 892 B12R1.48 [13CH3]Oc1ncc(cc1F)[N+](=O)[O-] 34a_100000100219_200025704644 [0,1,0,0,0,0|2,0,1]=4 893 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,1,0,0,0,0|1,1,0]=3 894 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,1,0,0,0,0|1,1,0]=3 895 B12R1.48 [13CH3]Sc1ccc(cc1F)B(O)O 62a_100009813512_200025704644 [0,1,0,0,0,0|1,1,1]=4 896 B12R1.48 [13CH3]Sc1ccc(cc1F)B(O)O 62a_200025704644_100009813512 [0,1,0,0,0,0|1,1,1]=4 897 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,1,0,0,0,0|1,1,0]=3 898 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,1,0,0,0,0|1,1,0]=3 899 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,0,0|1,1,0]=3 900 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,0,0|1,1,0]=3 901 B12R1.113 C=C(C)c1ccc(cc1)/C=C/C 271570a_100000694244_100016259036 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.113 C=C(C)c1ccc(cc1)C=CC 271570a_100016259895_100000185454 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.113 C=C(C)c1ccc(cc1)CCC 271570a_100000694244_100000750032 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.113 C=C(C)c1ccc(cc1)CCN 271570a_100000694244_100000755846 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.113 C=C(C)c1ccc(cc1)CCO 271570a_100000694244_100000766406 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.113 C=C(C)c1ccc(cc1)CNC 26a_100102657272_100009880102 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.113 C=C(C)c1ccc(cc1)CNC 271570a_100000694244_100000180866 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.113 C=C(C)c1ccc(cc1)COC 271570a_100000694244_100011493685 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.113 C=C(C)c1ccc(cc1)NCC 271570a_100000694244_100000219632 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.113 C=C(C)c1ccc(cc1)OCC 271570a_100000694244_100000169946 [0,1,0,0,0,0|2,0,0]=3 911 B12R1.113 C=C(C)c1ccc(cc1)OCC 34a_100009880102_100000210202 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.113 C=C(C)c1ccc(cc1)OCC 7a_100009880102_100000210202 [0,1,0,0,0,0|2,0,0]=3 913 B12R1.113 C=C(C)c1ccc(cc1)OCF 34a_100009880102_100015361967 [0,1,0,0,0,0|2,0,0]=3 914 B12R1.113 C=C(C)c1ccc(cc1)OCF 7a_100009880102_100015361967 [0,1,0,0,0,0|2,0,0]=3 915 B12R1.113 C=C(C)c1ccc(cc1)SCC 271570a_100000694244_200009811893 [0,1,0,0,0,0|2,1,0]=4 916 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000185454_100000210202 [0,1,0,0,0,0|2,1,0]=4 917 B12R1.113 C=C(C)c1ccc(cc1)SCC 62a_100000210202_100000185454 [0,1,0,0,0,0|2,1,0]=4 918 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100000185454_100015361967 [0,1,0,0,0,0|2,1,0]=4 919 B12R1.113 C=C(C)c1ccc(cc1)SCF 62a_100015361967_100000185454 [0,1,0,0,0,0|2,1,0]=4 920 B12R1.113 C=C(C)c1ccc(cn1)OCC 271570a_100000694244_100000753957 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.113 C=C(C)c1ccc(nc1)OCC 271570a_100000694244_100011219444 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.113 C=C=Cc1ccc(cc1)C(=O)C 271570a_100015277604_100000185465 [0,1,0,0,0,0|2,0,1]=4 923 B12R1.113 C=C=Cc1ccc(cc1)C(=O)N 271570a_100015277604_100000162191 [0,1,0,0,0,0|2,0,1]=4 924 B12R1.113 CC#Cc1ccc(cc1)C(=O)C 1458a_100009923575_200000210301 [0,1,0,0,0,0|2,0,0]=3 925 B12R1.113 CC#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100009923575_200025704644 [0,1,0,0,0,0|2,0,0]=3 926 B12R1.113 CC(=O)c1ccc(cc1)CC#N 1458a_100000693995_200000210301 [0,1,0,0,0,0|2,0,1]=4 927 B12R1.113 CC(=O)c1ccc(cc1)CCO 1458a_100000078963_200000210301 [0,1,0,0,0,0|2,0,0]=3 928 B12R1.113 CC(=O)c1ccc(cc1)CO[13CH3] 7a_100000082505_200025704644 [0,1,0,0,0,0|1,0,0]=2 929 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_100000756337_200025704644 [0,1,0,0,0,0|1,1,0]=3 930 B12R1.113 CC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000756337 [0,1,0,0,0,0|1,1,0]=3 931 B12R1.113 CC(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200000210301 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.113 CC(=O)c1ccc(cc1)OCF 34a_100000185113_100015361967 [0,1,0,0,0,0|1,0,0]=2 933 B12R1.113 CC(=O)c1ccc(cc1)OCF 7a_100000185113_100015361967 [0,1,0,0,0,0|1,0,0]=2 934 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100000185465_100015361967 [0,1,0,0,0,0|1,1,0]=3 935 B12R1.113 CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000185465 [0,1,0,0,0,0|1,1,0]=3 936 B12R1.113 CC(=O)c1ccc(cn1)OCF 34a_100012001710_100015361967 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.113 CC(=O)c1ccc(cn1)OCF 7a_100012001710_100015361967 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100000686046_100015361967 [0,1,0,0,0,0|2,1,0]=4 939 B12R1.113 CC(=O)c1ccc(cn1)SCF 62a_100015361967_100000686046 [0,1,0,0,0,0|2,1,0]=4 940 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100000684857_100015361967 [0,1,0,0,0,0|2,1,0]=4 941 B12R1.113 CC(=O)c1ccc(nc1)SCF 62a_100015361967_100000684857 [0,1,0,0,0,0|2,1,0]=4 942 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 34a_100000181325_200025704644 [0,1,0,0,0,0|2,0,1]=4 943 B12R1.113 CC(C)c1ccc(cc1)CO[13CH3] 7a_100000181325_200025704644 [0,1,0,0,0,0|2,0,1]=4 944 B12R1.113 CC(C)c1ccc(cc1)OCF 34a_100000181308_100015361967 [0,1,0,0,0,0|2,0,1]=4 945 B12R1.113 CC(C)c1ccc(cc1)OCF 7a_100000181308_100015361967 [0,1,0,0,0,0|2,0,1]=4 946 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 2230a_200000048501_200025704644 [0,1,0,0,0,0|2,0,1]=4 947 B12R1.113 CC(O)c1ccc(cc1)CN[13CH3] 34a_200000048501_200025704644 [0,1,0,0,0,0|2,0,1]=4 948 B12R1.113 CC(O)c1ccc(cc1)NCF 34a_100011216399_100015361967 [0,1,0,0,0,0|2,0,1]=4 949 B12R1.113 CC(O)c1ccc(cc1)OCF 34a_100000754508_100015361967 [0,1,0,0,0,0|1,0,1]=3 950 B12R1.113 CC(O)c1ccc(cc1)OCF 7a_100000754508_100015361967 [0,1,0,0,0,0|1,0,1]=3 951 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100000745893_100015361967 [0,1,0,0,0,0|1,1,1]=4 952 B12R1.113 CC(O)c1ccc(cc1)SCF 62a_100015361967_100000745893 [0,1,0,0,0,0|1,1,1]=4 953 B12R1.113 CC=Cc1ccc(cc1)B(O)O 271570a_100016259895_100000754493 [0,1,0,0,0,0|2,0,1]=4 954 B12R1.113 CC=Cc1ccc(cc1)C(=O)C 271570a_100016259895_100000185465 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.113 CC=Cc1ccc(cc1)C(=O)N 271570a_100016259895_100000162191 [0,1,0,0,0,0|2,0,0]=3 956 B12R1.113 CC=Cc1ccc(cc1)C(C)O 271570a_100016259895_100000745893 [0,1,0,0,0,0|2,0,1]=4 957 B12R1.113 CC=Cc1ccc(cc1)S(=O)C 271570a_100016259895_100009816266 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.113 CC=Cc1ccc(cn1)C(=O)C 271570a_100016259895_100000684857 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.113 CC=Cc1ccc(cn1)C(=O)N 271570a_100016259895_100000162237 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.113 CC=Cc1ccc(nc1)C(=O)C 271570a_100016259895_100000686046 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.113 CC=Cc1ccc(nc1)C(=O)N 271570a_100016259895_100011219284 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.113 CCCc1ccc(cc1)C(=O)C 1458a_100011207308_200000210301 [0,1,0,0,0,0|2,0,0]=3 963 B12R1.113 CCCc1ccc(cc1)C(=O)[13CH3] 1458a_100011207308_200025704644 [0,1,0,0,0,0|2,0,0]=3 964 B12R1.113 CCNc1ccc(cc1)C(=O)N 27a_100015525214_100000162191 [0,1,0,0,0,0|2,0,0]=3 965 B12R1.113 CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210202 [0,1,0,0,0,0|2,0,0]=3 966 B12R1.113 CCNc1ccc(cc1)C(C)O 2230a_100011216399_100000210202 [0,1,0,0,0,0|2,0,1]=4 967 B12R1.113 CCNc1ccc(cc1)C(C)O 34a_100011216399_100000210202 [0,1,0,0,0,0|2,0,1]=4 968 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000210202 [0,1,0,0,0,0|2,0,1]=4 969 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_100000210202 [0,1,0,0,0,0|2,0,1]=4 970 B12R1.113 CCNc1ccc(cn1)C(=O)C 27a_100015525214_100000690552 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.113 CCNc1ccc(cn1)C(=O)N 27a_100015525214_100000162237 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.113 CCOc1ccc(cc1)C(=O)C 1458a_100000181891_200000210301 [0,1,0,0,0,0|1,0,0]=2 973 B12R1.113 CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210202 [0,1,0,0,0,0|1,0,0]=2 974 B12R1.113 CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210202 [0,1,0,0,0,0|1,0,0]=2 975 B12R1.113 CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210202 [0,1,0,0,0,0|1,0,0]=2 976 B12R1.113 CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210202 [0,1,0,0,0,0|1,0,0]=2 977 B12R1.113 CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000181891_200025704644 [0,1,0,0,0,0|1,0,0]=2 978 B12R1.113 CCOc1ccc(cc1)C(C)C 34a_100000181308_100000210202 [0,1,0,0,0,0|2,0,1]=4 979 B12R1.113 CCOc1ccc(cc1)C(C)C 7a_100000181308_100000210202 [0,1,0,0,0,0|2,0,1]=4 980 B12R1.113 CCOc1ccc(cc1)C(C)O 34a_100000754508_100000210202 [0,1,0,0,0,0|1,0,1]=3 981 B12R1.113 CCOc1ccc(cc1)C(C)O 7a_100000754508_100000210202 [0,1,0,0,0,0|1,0,1]=3 982 B12R1.113 CCOc1ccc(cc1)N(C)C 2230a_100025784348_200000210301 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.113 CCOc1ccc(cc1)N(C)C 269982a_100025784348_200000210301 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100000718910_100000210202 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.113 CCOc1ccc(cc1)N(C)C 34a_100025784348_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 2230a_100025784348_200025704644 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 269982a_100025784348_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.113 CCOc1ccc(cc1)N(C)[13CH3] 34a_100025784348_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.113 CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210202 [0,1,0,0,0,0|2,0,0]=3 990 B12R1.113 CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210202 [0,1,0,0,0,0|2,0,0]=3 991 B12R1.113 CCOc1ccc(cc1)[C@H](C)N 34a_100161106496_100000210202 [0,1,0,0,0,0|2,0,1]=4 992 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210202 [0,1,0,0,0,0|1,0,1]=3 993 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210202 [0,1,0,0,0,0|1,0,1]=3 994 B12R1.113 CCOc1ccc(cc1)[S+](C)C 34a_100010188728_100000210202 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.113 CCOc1ccc(cc1)[S+](C)C 7a_100010188728_100000210202 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.113 CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210202 [0,1,0,0,0,0|2,0,0]=3 997 B12R1.113 CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210202 [0,1,0,0,0,0|2,0,0]=3 998 B12R1.113 CCOc1ccc(nc1)[N+](=O)[O-] 7a_100000060138_100000210202 [0,1,0,0,0,0|2,0,1]=4 999 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000210202_100000754493 [0,1,0,0,0,0|1,1,1]=4 1000 B12R1.113 CCSc1ccc(cc1)B(O)O 62a_100000754493_100000210202 [0,1,0,0,0,0|1,1,1]=4 1001 B12R1.113 CCSc1ccc(cc1)C(=O)C 1458a_100000244969_200000210301 [0,1,0,0,0,0|1,1,0]=3 1002 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210202 [0,1,0,0,0,0|1,1,0]=3 1003 B12R1.113 CCSc1ccc(cc1)C(=O)C 62a_100000210202_100000185465 [0,1,0,0,0,0|1,1,0]=3 1004 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210202 [0,1,0,0,0,0|1,1,0]=3 1005 B12R1.113 CCSc1ccc(cc1)C(=O)N 62a_100000210202_100000162191 [0,1,0,0,0,0|1,1,0]=3 1006 B12R1.113 CCSc1ccc(cc1)C(=O)[13CH3] 1458a_100000244969_200025704644 [0,1,0,0,0,0|1,1,0]=3 1007 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000210202_100000745893 [0,1,0,0,0,0|1,1,1]=4 1008 B12R1.113 CCSc1ccc(cc1)C(C)O 62a_100000745893_100000210202 [0,1,0,0,0,0|1,1,1]=4 1009 B12R1.113 CCSc1ccc(cc1)S(=O)C 62a_100009816266_100000210202 [0,1,0,0,0,0|2,1,0]=4 1010 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000210202_100000684857 [0,1,0,0,0,0|2,1,0]=4 1011 B12R1.113 CCSc1ccc(cn1)C(=O)C 62a_100000684857_100000210202 [0,1,0,0,0,0|2,1,0]=4 1012 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000162237_100000210202 [0,1,0,0,0,0|2,1,0]=4 1013 B12R1.113 CCSc1ccc(cn1)C(=O)N 62a_100000210202_100000162237 [0,1,0,0,0,0|2,1,0]=4 1014 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000210202_100000686046 [0,1,0,0,0,0|2,1,0]=4 1015 B12R1.113 CCSc1ccc(nc1)C(=O)C 62a_100000686046_100000210202 [0,1,0,0,0,0|2,1,0]=4 1016 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100000210202_100011219284 [0,1,0,0,0,0|2,1,0]=4 1017 B12R1.113 CCSc1ccc(nc1)C(=O)N 62a_100011219284_100000210202 [0,1,0,0,0,0|2,1,0]=4 1018 B12R1.113 CN(C)c1ccc(cc1)CO[13CH3] 34a_100000238745_200025704644 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.113 CN(C)c1ccc(cc1)OCF 34a_100000718910_100015361967 [0,1,0,0,0,0|3,0,0]=4 1020 B12R1.113 CNCc1ccc(cc1)B(O)O 2230a_106832991635_100009813762 [0,1,0,0,0,0|2,0,1]=4 1021 B12R1.113 CNCc1ccc(cc1)B(O)O 34a_100102657272_100009813762 [0,1,0,0,0,0|2,0,1]=4 1022 B12R1.113 CNCc1ccc(cc1)B(O)O 7a_106832991635_100009813762 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.113 CNCc1ccc(cc1)C(=O)C 2230a_106832991635_100000756337 [0,1,0,0,0,0|2,0,0]=3 1024 B12R1.113 CNCc1ccc(cc1)C(=O)C 26a_100102657272_100000185113 [0,1,0,0,0,0|2,0,0]=3 1025 B12R1.113 CNCc1ccc(cc1)C(=O)C 34a_100102657272_100000756337 [0,1,0,0,0,0|2,0,0]=3 1026 B12R1.113 CNCc1ccc(cc1)C(=O)C 7a_106832991635_100000756337 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.113 CNCc1ccc(cc1)C(=O)N 207a_100102657272_100000038677 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.113 CNCc1ccc(cc1)C(=O)N 2230a_106832991635_100000231043 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.113 CNCc1ccc(cc1)C(=O)N 270004a_106832991635_100000038677 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.113 CNCc1ccc(cc1)C(=O)N 34a_100102657272_100000231043 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.113 CNCc1ccc(cc1)C(=O)N 7a_106832991635_100000231043 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.113 CNCc1ccc(cc1)C(=O)O 269956a_100000181780_200000210301 [0,1,0,0,0,0|1,0,0]=2 1033 B12R1.113 CNCc1ccc(cc1)C(=O)[O-] 26a_100102657272_100016998105 [0,1,0,0,0,0|1,0,1]=3 1034 B12R1.113 CNCc1ccc(cc1)C(C)O 2230a_200000048501_200000210301 [0,1,0,0,0,0|2,0,1]=4 1035 B12R1.113 CNCc1ccc(cc1)C(C)O 26a_100102657272_100000754508 [0,1,0,0,0,0|2,0,1]=4 1036 B12R1.113 CNCc1ccc(cc1)C(C)O 34a_200000048501_200000210301 [0,1,0,0,0,0|2,0,1]=4 1037 B12R1.113 CNCc1ccc(cc1)S(=O)C 26a_100102657272_200000064373 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 207a_100102657272_100000189386 [0,1,0,0,0,0|2,0,1]=4 1039 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200000210301 [0,1,0,0,0,0|2,0,1]=4 1040 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 2230a_106832991635_100000181861 [0,1,0,0,0,0|2,0,1]=4 1041 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 26a_100102657272_100000185810 [0,1,0,0,0,0|2,0,1]=4 1042 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 270004a_106832991635_100000189386 [0,1,0,0,0,0|2,0,1]=4 1043 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200000210301 [0,1,0,0,0,0|2,0,1]=4 1044 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 34a_100102657272_100000181861 [0,1,0,0,0,0|2,0,1]=4 1045 B12R1.113 CNCc1ccc(cc1)[N+](=O)[O-] 7a_106832991635_100000181861 [0,1,0,0,0,0|2,0,1]=4 1046 B12R1.113 CNCc1ccc(nc1)C(=O)O 269956a_100000762669_200000210301 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.113 COCc1ccc(cc1)B(O)O 34a_100138415774_100009813762 [0,1,0,0,0,0|1,0,1]=3 1048 B12R1.113 COCc1ccc(cc1)C(=O)C 1458a_100000189608_200000210301 [0,1,0,0,0,0|1,0,0]=2 1049 B12R1.113 COCc1ccc(cc1)C(=O)C 34a_100138415774_100000756337 [0,1,0,0,0,0|1,0,0]=2 1050 B12R1.113 COCc1ccc(cc1)C(=O)C 7a_100000082505_200000210301 [0,1,0,0,0,0|1,0,0]=2 1051 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100000162016_200000210301 [0,1,0,0,0,0|1,0,0]=2 1052 B12R1.113 COCc1ccc(cc1)C(=O)N 34a_100138415774_100000231043 [0,1,0,0,0,0|1,0,0]=2 1053 B12R1.113 COCc1ccc(cc1)C(=O)N 7a_100000162016_200000210301 [0,1,0,0,0,0|1,0,0]=2 1054 B12R1.113 COCc1ccc(cc1)C(=O)[13CH3] 1458a_100000189608_200025704644 [0,1,0,0,0,0|1,0,0]=2 1055 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100000181325_200000210301 [0,1,0,0,0,0|2,0,1]=4 1056 B12R1.113 COCc1ccc(cc1)C(C)C 34a_100138415774_100000181262 [0,1,0,0,0,0|2,0,1]=4 1057 B12R1.113 COCc1ccc(cc1)C(C)C 7a_100000181325_200000210301 [0,1,0,0,0,0|2,0,1]=4 1058 B12R1.113 COCc1ccc(cc1)C(F)F 34a_100138415774_200012343607 [0,1,0,0,0,0|2,0,1]=4 1059 B12R1.113 COCc1ccc(cc1)N(C)C 34a_100000238745_200000210301 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200000210301 [0,1,0,0,0,0|1,0,1]=3 1061 B12R1.113 COCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000181861 [0,1,0,0,0,0|1,0,1]=3 1062 B12R1.113 CS(=O)c1ccc(cc1)OCF 34a_200000064373_100015361967 [0,1,0,0,0,0|2,0,0]=3 1063 B12R1.113 CS(=O)c1ccc(cc1)OCF 7a_200000064373_100015361967 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.113 CS(=O)c1ccc(cc1)SCF 62a_100009816266_100015361967 [0,1,0,0,0,0|2,1,0]=4 1065 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_100009813762_200000210301 [0,1,0,0,0,0|1,1,1]=4 1066 B12R1.113 CSCc1ccc(cc1)B(O)O 62a_200000210301_100009813762 [0,1,0,0,0,0|1,1,1]=4 1067 B12R1.113 CSCc1ccc(cc1)C(=O)C 1458a_100000175442_200000210301 [0,1,0,0,0,0|1,1,0]=3 1068 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_100000756337_200000210301 [0,1,0,0,0,0|1,1,0]=3 1069 B12R1.113 CSCc1ccc(cc1)C(=O)C 62a_200000210301_100000756337 [0,1,0,0,0,0|1,1,0]=3 1070 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_100000231043_200000210301 [0,1,0,0,0,0|1,1,0]=3 1071 B12R1.113 CSCc1ccc(cc1)C(=O)N 62a_200000210301_100000231043 [0,1,0,0,0,0|1,1,0]=3 1072 B12R1.113 CSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000175442_200025704644 [0,1,0,0,0,0|1,1,0]=3 1073 B12R1.113 CSCc1ccc(cc1)[N+](=O)[O-] 62a_200000210301_100000184243 [0,1,0,0,0,0|1,1,1]=4 1074 B12R1.113 C[C@H](N)c1ccc(cc1)OCF 34a_100161106496_100015361967 [0,1,0,0,0,0|2,0,1]=4 1075 B12R1.113 C[S+](C)c1ccc(cc1)OCF 34a_100010188728_100015361967 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.113 C[S+](C)c1ccc(cc1)OCF 7a_100010188728_100015361967 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.113 NC(=O)c1ccc(cc1)NCF 34a_100000210537_100015361967 [0,1,0,0,0,0|2,0,0]=3 1078 B12R1.113 NC(=O)c1ccc(cc1)OCF 34a_100000746352_100015361967 [0,1,0,0,0,0|1,0,0]=2 1079 B12R1.113 NC(=O)c1ccc(cc1)OCF 7a_100000746352_100015361967 [0,1,0,0,0,0|1,0,0]=2 1080 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100000162191_100015361967 [0,1,0,0,0,0|1,1,0]=3 1081 B12R1.113 NC(=O)c1ccc(cc1)SCF 62a_100015361967_100000162191 [0,1,0,0,0,0|1,1,0]=3 1082 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100011219284_100015361967 [0,1,0,0,0,0|2,1,0]=4 1083 B12R1.113 NC(=O)c1ccc(cn1)SCF 62a_100015361967_100011219284 [0,1,0,0,0,0|2,1,0]=4 1084 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100000162237_100015361967 [0,1,0,0,0,0|2,1,0]=4 1085 B12R1.113 NC(=O)c1ccc(nc1)SCF 62a_100015361967_100000162237 [0,1,0,0,0,0|2,1,0]=4 1086 B12R1.113 O=[N+]([O-])c1ccc(cc1)NCF 34a_100015195142_100015361967 [0,1,0,0,0,0|2,0,1]=4 1087 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 34a_100000185810_100015361967 [0,1,0,0,0,0|1,0,1]=3 1088 B12R1.113 O=[N+]([O-])c1ccc(cc1)OCF 7a_100000185810_100015361967 [0,1,0,0,0,0|1,0,1]=3 1089 B12R1.113 O=[N+]([O-])c1ccc(cn1)OCF 7a_100000060138_100015361967 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.113 OB(O)c1ccc(cc1)SCF 62a_100000754493_100015361967 [0,1,0,0,0,0|1,1,1]=4 1091 B12R1.113 OB(O)c1ccc(cc1)SCF 62a_100015361967_100000754493 [0,1,0,0,0,0|1,1,1]=4 1092 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CC#N 1458a_100000693995_200025704644 [0,1,0,0,0,0|2,0,1]=4 1093 B12R1.113 [13CH3]C(=O)c1ccc(cc1)CCO 1458a_100000078963_200025704644 [0,1,0,0,0,0|2,0,0]=3 1094 B12R1.113 [13CH3]C(=O)c1ccc(cc1)N=[N+]=[N-] 1458a_100000039380_200025704644 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.113 [13CH3]NCc1ccc(cc1)C(=O)O 269956a_100000181780_200025704644 [0,1,0,0,0,0|1,0,0]=2 1096 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 2230a_100000742766_200025704644 [0,1,0,0,0,0|2,0,1]=4 1097 B12R1.113 [13CH3]NCc1ccc(cc1)[N+](=O)[O-] 34a_100000742766_200025704644 [0,1,0,0,0,0|2,0,1]=4 1098 B12R1.113 [13CH3]NCc1ccc(nc1)C(=O)O 269956a_100000762669_200025704644 [0,1,0,0,0,0|2,0,0]=3 1099 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 34a_100000162016_200025704644 [0,1,0,0,0,0|1,0,0]=2 1100 B12R1.113 [13CH3]OCc1ccc(cc1)C(=O)N 7a_100000162016_200025704644 [0,1,0,0,0,0|1,0,0]=2 1101 B12R1.113 [13CH3]OCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_200025704644 [0,1,0,0,0,0|1,0,1]=3 1102 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_100009813762_200025704644 [0,1,0,0,0,0|1,1,1]=4 1103 B12R1.113 [13CH3]SCc1ccc(cc1)B(O)O 62a_200025704644_100009813762 [0,1,0,0,0,0|1,1,1]=4 1104 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_100000231043_200025704644 [0,1,0,0,0,0|1,1,0]=3 1105 B12R1.113 [13CH3]SCc1ccc(cc1)C(=O)N 62a_200025704644_100000231043 [0,1,0,0,0,0|1,1,0]=3 1106 B12R1.113 [13CH3]SCc1ccc(cc1)[N+](=O)[O-] 62a_200025704644_100000184243 [0,1,0,0,0,0|1,1,1]=4 1107 B12R1.256 C=C(C)c1ccc(cc1)B(O)O 271570a_100000694244_100000754493 [0,1,0,0,0,0|2,0,1]=4 1108 B12R1.256 C=C(C)c1ccc(cc1)C(=C)C 271570a_100000694244_100000185454 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 1458a_200009908186_200000210301 [0,1,0,0,0,0|2,0,0]=3 1110 B12R1.256 C=C(C)c1ccc(cc1)C(=O)C 271570a_100000694244_100000185465 [0,1,0,0,0,0|2,0,0]=3 1111 B12R1.256 C=C(C)c1ccc(cc1)C(=O)N 271570a_100000694244_100000162191 [0,1,0,0,0,0|2,0,0]=3 1112 B12R1.256 C=C(C)c1ccc(cc1)C(=O)[13CH3] 1458a_200009908186_200025704644 [0,1,0,0,0,0|2,0,0]=3 1113 B12R1.256 C=C(C)c1ccc(cc1)C(C)C 271570a_100000694244_100000750031 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.256 C=C(C)c1ccc(cc1)C(C)O 271570a_100000694244_100000745893 [0,1,0,0,0,0|2,0,1]=4 1115 B12R1.256 C=C(C)c1ccc(cc1)N(C)C 271570a_100000694244_100000210421 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.256 C=C(C)c1ccc(cc1)S(=O)C 271570a_100000694244_100009816266 [0,1,0,0,0,0|2,1,0]=4 1117 B12R1.256 C=C(C)c1ccc(cc1)[C@@H](C)N 271570a_100000694244_100000720352 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.256 C=C(C)c1ccc(cc1)[C@H](C)N 271570a_100000694244_100000753911 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.256 C=C(C)c1ccc(cn1)C(=O)C 271570a_100000694244_100000684857 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.256 C=C(C)c1ccc(cn1)C(=O)N 271570a_100000694244_100000162237 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.256 C=C(C)c1ccc(nc1)C(=O)C 271570a_100000694244_100000686046 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.256 C=C(C)c1ccc(nc1)C(=O)N 271570a_100000694244_100011219284 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.256 CC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200000210301 [0,1,0,0,0,0|2,0,0]=3 1124 B12R1.256 CC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_200000210301 [0,1,0,0,0,0|2,0,0]=3 1125 B12R1.256 CC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_200000210301 [0,1,0,0,0,0|2,0,0]=3 1126 B12R1.256 CC(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200000210301 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.256 CC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_200000210301 [0,1,0,0,0,0|2,0,0]=3 1128 B12R1.256 CC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_200000210301 [0,1,0,0,0,0|1,1,0]=3 1129 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200000210301 [0,1,0,0,0,0|2,0,1]=4 1130 B12R1.256 CC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000690552 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.256 CC(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210772_200025704644 [0,1,0,0,0,0|2,0,0]=3 1132 B12R1.256 CC(O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000076921_200025704644 [0,1,0,0,0,0|2,0,0]=3 1133 B12R1.256 CN(C)c1ccc(cc1)C(=O)N 27a_100102631434_100000162191 [0,1,0,0,0,0|2,0,0]=3 1134 B12R1.256 CN(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210873_200025704644 [0,1,0,0,0,0|2,0,0]=3 1135 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200000210301 [0,1,0,0,0,0|2,0,1]=4 1136 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200000210301 [0,1,0,0,0,0|2,0,1]=4 1137 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200000210301 [0,1,0,0,0,0|2,0,1]=4 1138 B12R1.256 CN(C)c1ccc(cn1)C(=O)N 27a_100102631434_100000162237 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 2230a_100000156523_200025704644 [0,1,0,0,0,0|2,0,1]=4 1140 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 269982a_100000156523_200025704644 [0,1,0,0,0,0|2,0,1]=4 1141 B12R1.256 CN([13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000156523_200025704644 [0,1,0,0,0,0|2,0,1]=4 1142 B12R1.256 CS(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_200000217594_200025704644 [0,1,0,0,0,0|1,1,0]=3 1143 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_200025704644 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.256 [13CH3]C(=O)c1ccc(cc1)C(F)F 1458a_100011735500_200025704644 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.256 [13CH3]C(=O)c1ccc(cc1)[N+](=O)[O-] 1458a_100000185811_200025704644 [0,1,0,0,0,0|2,0,1]=4 1146 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)C 1458a_100103168756_200000210301 [0,1,0,0,0,0|2,0,1]=4 1147 B12R1.452 C#Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100103168756_200025704644 [0,1,0,0,0,0|2,0,1]=4 1148 B12R1.452 C=C(C)c1ccc(cc1Br)CC 271570a_100000694244_200009997437 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.452 C=C(C)c1ccc(cc1Br)OC 271570a_100000694244_100012349170 [0,1,0,0,0,0|2,0,0]=3 1150 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,1,0,0,0,0|2,0,0]=3 1152 B12R1.452 C=C(C)c1ccc(cc1F)CC 271570a_100000694244_200010339503 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.452 C=C(C)c1ccc(cc1F)NC 271570a_100000694244_100012285320 [0,1,0,0,0,0|3,0,0]=4 1154 B12R1.452 C=C(C)c1ccc(cc1F)OC 271570a_100000694244_100000753793 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.452 C=C(C)c1ccc(cc1F)SC 271570a_100000694244_100009816902 [0,1,0,0,0,0|2,1,0]=4 1156 B12R1.452 C=C(C)c1ccc(cc1N)OC 271570a_100000694244_100000748021 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.452 C=C(C)c1ccc(cc1O)OC 271570a_100000694244_100000719091 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.452 C=C(C)c1ccc(nc1F)OC 271570a_100000694244_100010067559 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.452 C=C(C)c1ccc(nc1N)OC 271570a_100000694244_100010187629 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.452 C=C(C)c1cnc(cc1C)OC 271570a_100000694244_100011934368 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.452 C=C(C)c1cnc(cc1F)OC 271570a_100000694244_100010136277 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.452 C=C(C)c1cnc(cc1N)OC 271570a_100000694244_100010254562 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.452 C=C(C)c1cnc(cc1O)OC 271570a_100000694244_100010738159 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.452 C=C(C)c1ncc(cc1N)OC 271570a_100000694244_100010074831 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.452 C=Cc1ccc(c(c1)Br)C(=O)N 271570a_100011290941_200010146565 [0,1,0,0,0,0|2,0,1]=4 1168 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,0|2,0,1]=4 1169 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)N 271570a_100011290941_100011327924 [0,1,0,0,0,0|2,0,1]=4 1170 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)C 271570a_100011290941_100000690205 [0,1,0,0,0,0|2,0,1]=4 1171 B12R1.452 C=Cc1ccc(c(c1)F)C(=O)N 271570a_100011290941_100000216903 [0,1,0,0,0,0|2,0,1]=4 1172 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)C 271570a_100011290941_100011590516 [0,1,0,0,0,0|2,0,1]=4 1173 B12R1.452 C=Cc1ccc(c(c1)N)C(=O)N 271570a_100011290941_100012349972 [0,1,0,0,0,0|2,0,1]=4 1174 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)C 271570a_100011290941_100000188348 [0,1,0,0,0,0|2,0,1]=4 1175 B12R1.452 C=Cc1ccc(c(c1)O)C(=O)N 271570a_100011290941_100011550861 [0,1,0,0,0,0|2,0,1]=4 1176 B12R1.452 CC(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200000210301 [0,1,0,0,0,0|3,0,0]=4 1177 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,0|1,0,0]=2 1178 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,0|1,0,0]=2 1179 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,0|1,0,0]=2 1181 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,0|1,0,0]=2 1182 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,0|1,1,0]=3 1183 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,0|1,1,0]=3 1184 B12R1.452 CC(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200000210301 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,0|1,0,0]=2 1187 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,0|1,0,0]=2 1188 B12R1.452 CC(=O)c1ccc(cc1F)C#N 1458a_100000238375_200000210301 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,0|1,0,0]=2 1191 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,0|1,0,0]=2 1192 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,0,0|1,1,0]=3 1193 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,0,0|1,1,0]=3 1194 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [0,1,0,0,0,0|2,1,0]=4 1195 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [0,1,0,0,0,0|2,1,0]=4 1196 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,0|2,0,0]=3 1197 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,0|2,0,0]=3 1198 B12R1.452 CNc1cc(c(cn1)C(=O)N)C 27a_100102657272_200134614278 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.452 CNc1ccc(c(c1)Br)C(=O)N 27a_100102657272_200010146565 [0,1,0,0,0,0|2,0,0]=3 1200 B12R1.452 CNc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200000210301 [0,1,0,0,0,0|2,0,1]=4 1201 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,0,0|2,0,0]=3 1202 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 1203 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,0,0|2,0,0]=3 1204 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000745639_200000210301 [0,1,0,0,0,0|2,0,1]=4 1205 B12R1.452 CNc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000745639_200000210301 [0,1,0,0,0,0|2,0,1]=4 1206 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1207 B12R1.452 CNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200000210301 [0,1,0,0,0,0|2,0,0]=3 1208 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,0,0|2,0,0]=3 1209 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 27a_100102657272_100000216903 [0,1,0,0,0,0|2,0,0]=3 1210 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 34a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 1211 B12R1.452 CNc1ccc(c(c1)F)C(=O)N 7a_100000749959_200000210301 [0,1,0,0,0,0|2,0,0]=3 1212 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200000210301 [0,1,0,0,0,0|2,0,1]=4 1213 B12R1.452 CNc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200000210301 [0,1,0,0,0,0|2,0,1]=4 1214 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 34a_100000223280_200000210301 [0,1,0,0,0,0|2,0,0]=3 1215 B12R1.452 CNc1ccc(c(c1)O)C(=O)N 7a_100000223280_200000210301 [0,1,0,0,0,0|2,0,0]=3 1216 B12R1.452 CNc1ccc(c(n1)N)C(=O)N 27a_100102657272_100009875182 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.452 CNc1cnc(c(c1)F)C(=O)N 27a_100102657272_200010161073 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,0|1,0,0]=2 1219 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,0|1,0,0]=2 1220 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,0|1,0,0]=2 1221 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,0|1,0,0]=2 1222 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200000210301 [0,1,0,0,0,0|1,0,1]=3 1223 B12R1.452 COc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200000210301 [0,1,0,0,0,0|1,0,1]=3 1224 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,0|1,0,0]=2 1225 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,0|1,0,0]=2 1226 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,0|1,0,0]=2 1227 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,0|1,0,0]=2 1228 B12R1.452 COc1ccc(c(c1)C)C(C)C 34a_100000210824_200000210301 [0,1,0,0,0,0|2,0,1]=4 1229 B12R1.452 COc1ccc(c(c1)C)C(C)C 7a_100000210824_200000210301 [0,1,0,0,0,0|2,0,1]=4 1230 B12R1.452 COc1ccc(c(c1)C)N(C)C 2230a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 1231 B12R1.452 COc1ccc(c(c1)C)N(C)C 269982a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 1232 B12R1.452 COc1ccc(c(c1)C)N(C)C 34a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 1233 B12R1.452 COc1ccc(c(c1)C)N(C)C 38a_103496583619_200000210301 [0,1,0,0,0,0|3,0,0]=4 1234 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 2230a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 1235 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 269982a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 34a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 1237 B12R1.452 COc1ccc(c(c1)C)N(C)[13CH3] 38a_103496583619_200025704644 [0,1,0,0,0,0|3,0,0]=4 1238 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_200000210301 [0,1,0,0,0,0|1,0,1]=3 1239 B12R1.452 COc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_200000210301 [0,1,0,0,0,0|1,0,1]=3 1240 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,0|1,0,0]=2 1241 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,0|1,0,0]=2 1242 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,0|1,0,0]=2 1243 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200000210301 [0,1,0,0,0,0|1,0,0]=2 1244 B12R1.452 COc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200000210301 [0,1,0,0,0,0|1,0,0]=2 1245 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,0|1,0,0]=2 1246 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200000210301 [0,1,0,0,0,0|1,0,1]=3 1247 B12R1.452 COc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200000210301 [0,1,0,0,0,0|1,0,1]=3 1248 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,0|1,0,0]=2 1249 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,0|1,0,0]=2 1250 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,0|1,0,0]=2 1251 B12R1.452 COc1ccc(c(c1)F)C(=O)N 34a_200012186767_200000210301 [0,1,0,0,0,0|1,0,0]=2 1252 B12R1.452 COc1ccc(c(c1)F)C(=O)N 7a_200012186767_200000210301 [0,1,0,0,0,0|1,0,0]=2 1253 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,0|1,0,0]=2 1254 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200000210301 [0,1,0,0,0,0|1,0,1]=3 1255 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,0|1,0,0]=2 1256 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,0|1,0,0]=2 1257 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200000210301 [0,1,0,0,0,0|1,0,1]=3 1258 B12R1.452 COc1ccc(c(c1)N)C(=O)N 34a_100012186684_200000210301 [0,1,0,0,0,0|1,0,0]=2 1259 B12R1.452 COc1ccc(c(c1)N)C(=O)N 7a_100012186684_200000210301 [0,1,0,0,0,0|1,0,0]=2 1260 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200000210301 [0,1,0,0,0,0|1,0,1]=3 1261 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,0|1,0,0]=2 1262 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,0|1,0,0]=2 1263 B12R1.452 COc1ccc(c(c1)O)C(=O)N 271570a_203496583355_200009815664 [0,1,0,0,0,0|1,0,0]=2 1264 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,0|1,0,0]=2 1265 B12R1.452 COc1ccc(c(c1)O)C(C)O 271570a_203496583355_100000697252 [0,1,0,0,0,0|1,0,1]=3 1266 B12R1.452 COc1ccc(c(c1)O)C(F)F 271570a_203496583355_100010189948 [0,1,0,0,0,0|2,0,1]=4 1267 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200000210301_200134614278 [0,1,0,0,0,0|2,1,0]=4 1268 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200134614278_200000210301 [0,1,0,0,0,0|2,1,0]=4 1269 B12R1.452 CSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200000210301 [0,1,0,0,0,0|1,1,0]=3 1270 B12R1.452 CSc1ccc(c(c1)C)B(O)O 62a_100010074995_200000210301 [0,1,0,0,0,0|1,1,1]=4 1271 B12R1.452 CSc1ccc(c(c1)C)B(O)O 62a_200000210301_100010074995 [0,1,0,0,0,0|1,1,1]=4 1272 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,0|1,1,0]=3 1273 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,0|1,1,0]=3 1274 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,0|1,1,0]=3 1275 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,0,0|1,1,0]=3 1276 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,0,0|1,1,0]=3 1277 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,0|1,1,0]=3 1278 B12R1.452 CSc1ccc(c(c1)F)B(O)O 62a_100009813958_200000210301 [0,1,0,0,0,0|1,1,1]=4 1279 B12R1.452 CSc1ccc(c(c1)F)B(O)O 62a_200000210301_100009813958 [0,1,0,0,0,0|1,1,1]=4 1280 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,0,0|1,1,0]=3 1281 B12R1.452 CSc1ccc(c(c1)F)C(=O)N 62a_100000216903_200000210301 [0,1,0,0,0,0|1,1,0]=3 1282 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,0,0|1,1,0]=3 1283 B12R1.452 CSc1ccc(c(c1)N)C(=O)N 62a_100012349972_200000210301 [0,1,0,0,0,0|1,1,0]=3 1284 B12R1.452 CSc1ccc(c(c1)O)B(O)O 62a_200000210301_100010158982 [0,1,0,0,0,0|1,1,1]=4 1285 B12R1.452 CSc1ccc(c(c1)O)C(=O)N 62a_100011550861_200000210301 [0,1,0,0,0,0|1,1,0]=3 1286 B12R1.452 CSc1ccc(c(n1)N)C(=O)N 62a_100009875182_200000210301 [0,1,0,0,0,0|2,1,0]=4 1287 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [0,1,0,0,0,0|2,1,0]=4 1288 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [0,1,0,0,0,0|2,1,0]=4 1289 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200000210301_200010161073 [0,1,0,0,0,0|2,1,0]=4 1290 B12R1.452 CSc1cnc(c(c1)F)C(=O)N 62a_200010161073_200000210301 [0,1,0,0,0,0|2,1,0]=4 1291 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_100010235749_200000210301 [0,1,0,0,0,0|2,1,0]=4 1292 B12R1.452 CSc1cnc(c(c1)N)C(=O)N 62a_200000210301_100010235749 [0,1,0,0,0,0|2,1,0]=4 1293 B12R1.452 Cc1cc(ccc1B(O)O)S[13CH3] 62a_100010074995_200025704644 [0,1,0,0,0,0|1,1,1]=4 1294 B12R1.452 Cc1cc(ccc1B(O)O)S[13CH3] 62a_200025704644_100010074995 [0,1,0,0,0,0|1,1,1]=4 1295 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 1296 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,0,0|1,1,0]=3 1298 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,0,0|1,1,0]=3 1299 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,0|3,0,0]=4 1300 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 34a_100000210824_200025704644 [0,1,0,0,0,0|2,0,1]=4 1301 B12R1.452 Cc1cc(ccc1C(C)C)O[13CH3] 7a_100000210824_200025704644 [0,1,0,0,0,0|2,0,1]=4 1302 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 34a_100000745639_200025704644 [0,1,0,0,0,0|2,0,1]=4 1303 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])N[13CH3] 7a_100000745639_200025704644 [0,1,0,0,0,0|2,0,1]=4 1304 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000195451_200025704644 [0,1,0,0,0,0|1,0,1]=3 1305 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000195451_200025704644 [0,1,0,0,0,0|1,0,1]=3 1306 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200025704644_200134614278 [0,1,0,0,0,0|2,1,0]=4 1307 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200134614278_200025704644 [0,1,0,0,0,0|2,1,0]=4 1308 B12R1.452 [13CH3]C(=O)c1ccc(cc1Br)C#N 1458a_100010244945_200025704644 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)C#N 1458a_100000100588_200025704644 [0,1,0,0,0,0|3,0,0]=4 1310 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)C#N 1458a_100000238375_200025704644 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.452 [13CH3]Nc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100000693983_200025704644 [0,1,0,0,0,0|2,0,1]=4 1314 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1315 B12R1.452 [13CH3]Nc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_200025704644 [0,1,0,0,0,0|2,0,0]=3 1316 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 34a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 1317 B12R1.452 [13CH3]Nc1ccc(c(c1)F)C(=O)N 7a_100000749959_200025704644 [0,1,0,0,0,0|2,0,0]=3 1318 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 34a_100000741728_200025704644 [0,1,0,0,0,0|2,0,1]=4 1319 B12R1.452 [13CH3]Nc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000741728_200025704644 [0,1,0,0,0,0|2,0,1]=4 1320 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 34a_100000223280_200025704644 [0,1,0,0,0,0|2,0,0]=3 1321 B12R1.452 [13CH3]Nc1ccc(c(c1)O)C(=O)N 7a_100000223280_200025704644 [0,1,0,0,0,0|2,0,0]=3 1322 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_200025704644 [0,1,0,0,0,0|1,0,1]=3 1323 B12R1.452 [13CH3]Oc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_200025704644 [0,1,0,0,0,0|1,0,1]=3 1324 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_200025704644 [0,1,0,0,0,0|1,0,0]=2 1325 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_200025704644 [0,1,0,0,0,0|1,0,0]=2 1326 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_200025704644 [0,1,0,0,0,0|1,0,1]=3 1327 B12R1.452 [13CH3]Oc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_200025704644 [0,1,0,0,0,0|1,0,1]=3 1328 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 34a_200012186767_200025704644 [0,1,0,0,0,0|1,0,0]=2 1329 B12R1.452 [13CH3]Oc1ccc(c(c1)F)C(=O)N 7a_200012186767_200025704644 [0,1,0,0,0,0|1,0,0]=2 1330 B12R1.452 [13CH3]Oc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_200025704644 [0,1,0,0,0,0|1,0,1]=3 1331 B12R1.452 [13CH3]Oc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_200025704644 [0,1,0,0,0,0|1,0,1]=3 1332 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 34a_100012186684_200025704644 [0,1,0,0,0,0|1,0,0]=2 1333 B12R1.452 [13CH3]Oc1ccc(c(c1)N)C(=O)N 7a_100012186684_200025704644 [0,1,0,0,0,0|1,0,0]=2 1334 B12R1.452 [13CH3]Oc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_200025704644 [0,1,0,0,0,0|1,0,1]=3 1335 B12R1.452 [13CH3]Sc1ccc(c(c1)Br)C(=O)N 62a_200010146565_200025704644 [0,1,0,0,0,0|1,1,0]=3 1336 B12R1.452 [13CH3]Sc1ccc(c(c1)F)B(O)O 62a_100009813958_200025704644 [0,1,0,0,0,0|1,1,1]=4 1337 B12R1.452 [13CH3]Sc1ccc(c(c1)F)B(O)O 62a_200025704644_100009813958 [0,1,0,0,0,0|1,1,1]=4 1338 B12R1.452 [13CH3]Sc1ccc(c(c1)F)C(=O)N 62a_100000216903_200025704644 [0,1,0,0,0,0|1,1,0]=3 1339 B12R1.452 [13CH3]Sc1ccc(c(c1)N)C(=O)N 62a_100012349972_200025704644 [0,1,0,0,0,0|1,1,0]=3 1340 B12R1.452 [13CH3]Sc1ccc(c(c1)O)B(O)O 62a_200025704644_100010158982 [0,1,0,0,0,0|1,1,1]=4 1341 B12R1.452 [13CH3]Sc1ccc(c(c1)O)C(=O)N 62a_100011550861_200025704644 [0,1,0,0,0,0|1,1,0]=3 1342 B12R1.452 [13CH3]Sc1ccc(c(n1)N)C(=O)N 62a_100009875182_200025704644 [0,1,0,0,0,0|2,1,0]=4 1343 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200010161073_200025704644 [0,1,0,0,0,0|2,1,0]=4 1344 B12R1.452 [13CH3]Sc1cnc(c(c1)F)C(=O)N 62a_200025704644_200010161073 [0,1,0,0,0,0|2,1,0]=4 1345 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_100010235749_200025704644 [0,1,0,0,0,0|2,1,0]=4 1346 B12R1.452 [13CH3]Sc1cnc(c(c1)N)C(=O)N 62a_200025704644_100010235749 [0,1,0,0,0,0|2,1,0]=4 1347 B12R2.9 COc1ccc(cc1)C2CC2 271570a_100011220607_100000171711 [0,0,0,1,0,0|2,0,1]=4 1348 B12R2.9 COc1ccc(cc1)C2CC2 34a_100011997980_200000210301 [0,0,0,1,0,0|2,0,1]=4 1349 B12R2.9 COc1ccc(cc1)C2CC2 7a_100011997980_200000210301 [0,0,0,1,0,0|2,0,1]=4 1350 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 34a_100011997980_200025704644 [0,0,0,1,0,0|2,0,1]=4 1351 B12R2.9 [13CH3]Oc1ccc(cc1)C2CC2 7a_100011997980_200025704644 [0,0,0,1,0,0|2,0,1]=4 1352 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,0,0,1,0,0|3,0,0]=4 1353 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,0|2,0,0]=3 1354 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,0|2,0,0]=3 1355 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,0,0,0,1,0|2,1,0]=4 1356 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,0,0,0,1,0|2,1,0]=4 1357 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,0,0,0,1,0|2,1,0]=4 1358 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,0,0,0,1,0|2,1,0]=4 1359 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,0,0,0,1,0|2,1,0]=4 1360 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,0,0,0,1,0|2,1,0]=4 1361 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,0,0,0,1,0|2,1,0]=4 1362 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,0,0,0,1,0|2,1,0]=4 1363 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,0,0,0,1,0|2,1,0]=4 1364 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,0,0,0,1,0|2,1,0]=4 1365 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,0,0,0,1,0|2,1,0]=4 1366 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,0,0,0,1,0|2,1,0]=4 1367 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [0,0,0,0,1,0|2,1,0]=4 1368 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [0,0,0,0,1,0|2,1,0]=4 1369 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,0,0,0,1,0|2,1,0]=4 1370 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,0,0,0,1,0|2,1,0]=4 1371 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,0,0,0,1,0|2,1,0]=4 1372 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,0,0,0,1,0|2,1,0]=4 1373 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,0,0,0,1,0|2,1,0]=4 1374 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,0,0,0,1,0|2,1,0]=4 1375 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,0,0,0,1,0|2,1,0]=4 1376 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,0,0,0,1,0|2,1,0]=4 1377 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,0,0,0,1,0|2,1,0]=4 1378 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,0,0,0,1,0|2,1,0]=4 1379 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,0,0,0,1,0|2,1,0]=4 1380 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,0,0,0,1,0|2,1,0]=4 1381 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,0,0,0,1,0|2,1,0]=4 1382 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [0,0,0,0,1,0|2,1,0]=4 1383 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [0,0,0,0,1,0|2,1,0]=4 1384 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,0,0,0,1,0|2,1,0]=4 1385 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,0,0,0,1,0|2,1,0]=4 1386 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,0,0,0,1,0|2,1,0]=4 1387 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,0,0,0,1,0|2,1,0]=4 1388 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,0,0,0,1,0|2,1,0]=4 1389 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000140223 [0,0,0,0,0,1|2,0,1]=4 1390 B12R1.4 C#Cc1ccc(cc1)CC(=O)C 1458a_200009884166_200000210301 [0,0,0,0,0,1|2,0,1]=4 1391 B12R1.4 C#Cc1ccc(cc1)CC(=O)[13CH3] 1458a_200009884166_200025704644 [0,0,0,0,0,1|2,0,1]=4 1392 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 11a_100011215031_100015343762 [0,0,0,0,0,1|2,0,1]=4 1393 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 1626a_100011215031_100015343762 [0,0,0,0,0,1|2,0,1]=4 1394 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 22a_100011215031_100000070787 [0,0,0,0,0,1|2,0,1]=4 1395 B12R1.4 C#Cc1ccc(cc1)NC(=O)C 527a_100011215031_100103153847 [0,0,0,0,0,1|2,0,1]=4 1396 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 1458a_100000070787_100000034074 [0,0,0,0,0,1|2,0,1]=4 1397 B12R1.4 C=Cc1ccc(cc1)CC(=O)C 271570a_100011290941_100000691760 [0,0,0,0,0,1|2,0,1]=4 1398 B12R1.4 C=Cc1ccc(cc1)CC(=O)N 271570a_100011290941_100000162331 [0,0,0,0,0,1|2,0,1]=4 1399 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 11a_100011218248_100015343762 [0,0,0,0,0,1|2,0,1]=4 1400 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 1626a_100011218248_100015343762 [0,0,0,0,0,1|2,0,1]=4 1401 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 22a_100011218248_100000070787 [0,0,0,0,0,1|2,0,1]=4 1402 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 271570a_100011290941_100000155215 [0,0,0,0,0,1|2,0,1]=4 1403 B12R1.4 C=Cc1ccc(cc1)NC(=O)C 527a_100011218248_100103153847 [0,0,0,0,0,1|2,0,1]=4 1404 B12R1.4 C=Cc1ccc(cc1)NC(=O)N 271570a_100011290941_100000198584 [0,0,0,0,0,1|2,0,1]=4 1405 B12R1.4 C=Cc1ccc(cc1)OC(=O)C 271570a_100011290941_100000002173 [0,0,0,0,0,1|2,0,1]=4 1406 B12R1.4 C=Cc1ccc(cc1)SC(=O)C 271570a_100011290941_200009995050 [0,0,0,0,0,1|2,0,1]=4 1407 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000070787_100000184898 [0,0,0,0,0,1|3,0,0]=4 1408 B12R1.4 CC(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200000210301 [0,0,0,0,0,1|3,0,0]=4 1409 B12R1.4 CC(=O)Cc1ccc(cc1)C=O 1458a_100000070787_100000075337 [0,0,0,0,0,1|3,0,0]=4 1410 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100000070787_100000067286 [0,0,0,0,0,1|3,0,0]=4 1411 B12R1.4 CC(=O)Cc1ccc(cc1)CO 1458a_100011356463_200000210301 [0,0,0,0,0,1|3,0,0]=4 1412 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 34a_100011218180_200025704644 [0,0,0,0,0,1|1,0,0]=2 1413 B12R1.4 CC(=O)Cc1ccc(cc1)O[13CH3] 7a_100011218180_200025704644 [0,0,0,0,0,1|1,0,0]=2 1414 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000691760_200025704644 [0,0,0,0,0,1|1,1,0]=3 1415 B12R1.4 CC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000691760 [0,0,0,0,0,1|1,1,0]=3 1416 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 11a_100000185469_100015343762 [0,0,0,0,0,1|3,0,0]=4 1417 B12R1.4 CC(=O)Nc1ccc(cc1)C#N 1626a_100000185469_100015343762 [0,0,0,0,0,1|3,0,0]=4 1418 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,0,0,0,0,1|3,0,0]=4 1419 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,0,0,0,0,1|2,0,0]=3 1420 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,0,0,0,0,1|1,0,0]=2 1421 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,0,0,0,0,1|1,0,0]=2 1422 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,0,0,0,0,1|1,1,0]=3 1423 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,0,0,0,0,1|2,0,0]=3 1424 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,0,0,0,0,1|2,0,0]=3 1425 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,0,0,0,0,1|2,1,0]=4 1426 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [0,0,0,0,0,1|2,1,0]=4 1427 B12R1.4 CC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_100000002173 [0,0,0,0,0,1|1,1,0]=3 1428 B12R1.4 CC(=O)Sc1ccc(cc1)S[13CH3] 62a_200009995050_200025704644 [0,0,0,0,0,1|1,1,0]=3 1429 B12R1.4 CC(=S)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009816735 [0,0,0,0,0,1|1,2,0]=4 1430 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 34a_100000757185_200025704644 [0,0,0,0,0,1|2,0,1]=4 1431 B12R1.4 CC(C)Oc1ccc(cc1)O[13CH3] 7a_100000757185_200025704644 [0,0,0,0,0,1|2,0,1]=4 1432 B12R1.4 CC(N)Cc1ccc(cc1)O[13CH3] 34a_100102634573_200025704644 [0,0,0,0,0,1|2,0,1]=4 1433 B12R1.4 CCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011215824 [0,0,0,0,0,1|3,0,0]=4 1434 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_100000070787_100000747183 [0,0,0,0,0,1|2,0,0]=3 1435 B12R1.4 CCc1ccc(cc1)CC(=O)C 1458a_200000759805_200000210301 [0,0,0,0,0,1|2,0,0]=3 1436 B12R1.4 CCc1ccc(cc1)CC(=O)[13CH3] 1458a_200000759805_200025704644 [0,0,0,0,0,1|2,0,0]=3 1437 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,0,0,0,0,1|2,0,0]=3 1438 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,0,0,0,0,1|2,0,0]=3 1439 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,0,0,0,0,1|2,0,0]=3 1440 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,0,0,0,0,1|2,0,0]=3 1441 B12R1.4 CNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219623 [0,0,0,0,0,1|3,0,0]=4 1442 B12R1.4 CNc1ccc(cc1)CC(=O)N 2230a_100000738315_200000210301 [0,0,0,0,0,1|2,0,0]=3 1443 B12R1.4 CNc1ccc(cc1)CC(=O)N 34a_100000738315_200000210301 [0,0,0,0,0,1|2,0,0]=3 1444 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,0,0,0,0,1|2,0,0]=3 1445 B12R1.4 COc1ccc(cc1)C=C(C)C 271570a_100102525489_100000171711 [0,0,0,0,0,1|2,0,0]=3 1446 B12R1.4 COc1ccc(cc1)CC(=O)C 1458a_100000210706_200000210301 [0,0,0,0,0,1|1,0,0]=2 1447 B12R1.4 COc1ccc(cc1)CC(=O)C 34a_100011218180_200000210301 [0,0,0,0,0,1|1,0,0]=2 1448 B12R1.4 COc1ccc(cc1)CC(=O)C 7a_100011218180_200000210301 [0,0,0,0,0,1|1,0,0]=2 1449 B12R1.4 COc1ccc(cc1)CC(=O)N 34a_100000020825_200000210301 [0,0,0,0,0,1|1,0,0]=2 1450 B12R1.4 COc1ccc(cc1)CC(=O)[13CH3] 1458a_100000210706_200025704644 [0,0,0,0,0,1|1,0,0]=2 1451 B12R1.4 COc1ccc(cc1)CC(C)N 34a_100102634573_200000210301 [0,0,0,0,0,1|2,0,1]=4 1452 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100000184145_200000210301 [0,0,0,0,0,1|3,0,0]=4 1453 B12R1.4 COc1ccc(cc1)CN(C)C 2230a_100102631434_100000742318 [0,0,0,0,0,1|3,0,0]=4 1454 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100000184145_200000210301 [0,0,0,0,0,1|3,0,0]=4 1455 B12R1.4 COc1ccc(cc1)CN(C)C 269982a_100102631434_100000742318 [0,0,0,0,0,1|3,0,0]=4 1456 B12R1.4 COc1ccc(cc1)CN(C)C 270004a_100102631434_100000169835 [0,0,0,0,0,1|3,0,0]=4 1457 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 2230a_100000184145_200025704644 [0,0,0,0,0,1|3,0,0]=4 1458 B12R1.4 COc1ccc(cc1)CN(C)[13CH3] 269982a_100000184145_200025704644 [0,0,0,0,0,1|3,0,0]=4 1459 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,0,0,0,0,1|1,0,0]=2 1460 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,0,0,0,0,1|1,0,0]=2 1461 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,0,0,0,0,1|1,0,0]=2 1462 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,0,0,0,0,1|1,0,0]=2 1463 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,0,0,0,0,1|1,0,0]=2 1464 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,0,0,0,0,1|1,0,0]=2 1465 B12R1.4 COc1ccc(cc1)NC(C)C 34a_100000184247_100000210206 [0,0,0,0,0,1|2,0,1]=4 1466 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000210503_100000210206 [0,0,0,0,0,1|2,0,1]=4 1467 B12R1.4 COc1ccc(cc1)OC(C)C 34a_100000757185_200000210301 [0,0,0,0,0,1|2,0,1]=4 1468 B12R1.4 COc1ccc(cc1)OC(C)C 7a_100000757185_200000210301 [0,0,0,0,0,1|2,0,1]=4 1469 B12R1.4 COc1ccc(cc1)OC(F)F 34a_100011217645_200000210301 [0,0,0,0,0,1|2,0,1]=4 1470 B12R1.4 COc1ccc(cc1)OC(F)F 7a_100011217645_200000210301 [0,0,0,0,0,1|2,0,1]=4 1471 B12R1.4 COc1ccc(cc1)SC(C)C 62a_100000210206_100000171711 [0,0,0,0,0,1|2,0,1]=4 1472 B12R1.4 COc1ccc(cn1)C=C(C)C 271570a_100102525489_100000047065 [0,0,0,0,0,1|3,0,0]=4 1473 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100000070787_100020631284 [0,0,0,0,0,1|2,0,0]=3 1474 B12R1.4 COc1ccc(cn1)CC(=O)C 1458a_100012001117_200000210301 [0,0,0,0,0,1|2,0,0]=3 1475 B12R1.4 COc1ccc(cn1)CC(=O)[13CH3] 1458a_100012001117_200025704644 [0,0,0,0,0,1|2,0,0]=3 1476 B12R1.4 COc1ccc(nc1)C=C(C)C 271570a_100102525489_100000755202 [0,0,0,0,0,1|3,0,0]=4 1477 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,0,0,0,0,1|2,0,0]=3 1478 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,0,0,0,0,1|2,0,0]=3 1479 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,0,0,0,0,1|2,0,0]=3 1480 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,0,0,0,0,1|2,0,0]=3 1481 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,0,0,0,0,1|2,0,0]=3 1482 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200000210301_200013992848 [0,0,0,0,0,1|2,1,0]=4 1483 B12R1.4 CSc1ccc(cc1)C=C(Br)Br 62a_200013992848_200000210301 [0,0,0,0,0,1|2,1,0]=4 1484 B12R1.4 CSc1ccc(cc1)C=C(C)C 271570a_100102525489_100011263217 [0,0,0,0,0,1|2,1,0]=4 1485 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200000210301_200009816947 [0,0,0,0,0,1|2,1,0]=4 1486 B12R1.4 CSc1ccc(cc1)C=C(F)F 62a_200009816947_200000210301 [0,0,0,0,0,1|2,1,0]=4 1487 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000070787_100000181263 [0,0,0,0,0,1|1,1,0]=3 1488 B12R1.4 CSc1ccc(cc1)CC(=O)C 1458a_100000756958_200000210301 [0,0,0,0,0,1|1,1,0]=3 1489 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_100000691760_200000210301 [0,0,0,0,0,1|1,1,0]=3 1490 B12R1.4 CSc1ccc(cc1)CC(=O)C 62a_200000210301_100000691760 [0,0,0,0,0,1|1,1,0]=3 1491 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_100000162331_200000210301 [0,0,0,0,0,1|1,1,0]=3 1492 B12R1.4 CSc1ccc(cc1)CC(=O)N 62a_200000210301_100000162331 [0,0,0,0,0,1|1,1,0]=3 1493 B12R1.4 CSc1ccc(cc1)CC(=O)[13CH3] 1458a_100000756958_200025704644 [0,0,0,0,0,1|1,1,0]=3 1494 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,0,0,0,0,1|1,1,0]=3 1495 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,0,0,0,0,1|1,1,0]=3 1496 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,0,0,0,0,1|1,1,0]=3 1497 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,0,0,0,0,1|1,1,0]=3 1498 B12R1.4 CSc1ccc(cc1)NC(=O)N 62a_200000210301_100000198584 [0,0,0,0,0,1|1,1,0]=3 1499 B12R1.4 CSc1ccc(cc1)OC(=O)C 62a_200000210301_100000002173 [0,0,0,0,0,1|1,1,0]=3 1500 B12R1.4 CSc1ccc(cc1)OC(=S)C 62a_200000210301_200009816735 [0,0,0,0,0,1|1,2,0]=4 1501 B12R1.4 CSc1ccc(cc1)SC(=O)C 62a_200009995050_200000210301 [0,0,0,0,0,1|1,1,0]=3 1502 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000071513_200000210301 [0,0,0,0,0,1|2,1,0]=4 1503 B12R1.4 CSc1ccc(cn1)CC(=O)N 62a_200000210301_200000071513 [0,0,0,0,0,1|2,1,0]=4 1504 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [0,0,0,0,0,1|2,1,0]=4 1505 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200000210301_200010888337 [0,0,0,0,0,1|2,1,0]=4 1506 B12R1.4 CSc1ccc(nc1)CC(=O)N 62a_200010888337_200000210301 [0,0,0,0,0,1|2,1,0]=4 1507 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,0,0,0,0,1|2,1,0]=4 1508 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)C#N 1458a_100000748677_200025704644 [0,0,0,0,0,1|3,0,0]=4 1509 B12R1.4 [13CH3]C(=O)Cc1ccc(cc1)CO 1458a_100011356463_200025704644 [0,0,0,0,0,1|3,0,0]=4 1510 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 2230a_100000738315_200025704644 [0,0,0,0,0,1|2,0,0]=3 1511 B12R1.4 [13CH3]Nc1ccc(cc1)CC(=O)N 34a_100000738315_200025704644 [0,0,0,0,0,1|2,0,0]=3 1512 B12R1.4 [13CH3]Oc1ccc(cc1)CC(=O)N 34a_100000020825_200025704644 [0,0,0,0,0,1|1,0,0]=2 1513 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 34a_100011217645_200025704644 [0,0,0,0,0,1|2,0,1]=4 1514 B12R1.4 [13CH3]Oc1ccc(cc1)OC(F)F 7a_100011217645_200025704644 [0,0,0,0,0,1|2,0,1]=4 1515 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200013992848_200025704644 [0,0,0,0,0,1|2,1,0]=4 1516 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(Br)Br 62a_200025704644_200013992848 [0,0,0,0,0,1|2,1,0]=4 1517 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200009816947_200025704644 [0,0,0,0,0,1|2,1,0]=4 1518 B12R1.4 [13CH3]Sc1ccc(cc1)C=C(F)F 62a_200025704644_200009816947 [0,0,0,0,0,1|2,1,0]=4 1519 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_100000162331_200025704644 [0,0,0,0,0,1|1,1,0]=3 1520 B12R1.4 [13CH3]Sc1ccc(cc1)CC(=O)N 62a_200025704644_100000162331 [0,0,0,0,0,1|1,1,0]=3 1521 B12R1.4 [13CH3]Sc1ccc(cc1)NC(=O)N 62a_200025704644_100000198584 [0,0,0,0,0,1|1,1,0]=3 1522 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200000071513_200025704644 [0,0,0,0,0,1|2,1,0]=4 1523 B12R1.4 [13CH3]Sc1ccc(cn1)CC(=O)N 62a_200025704644_200000071513 [0,0,0,0,0,1|2,1,0]=4 1524 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200010888337_200025704644 [0,0,0,0,0,1|2,1,0]=4 1525 B12R1.4 [13CH3]Sc1ccc(nc1)CC(=O)N 62a_200025704644_200010888337 [0,0,0,0,0,1|2,1,0]=4 1526 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|2,0,0]=4 1527 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|1,0,0]=3 1528 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|2,0,0]=4 1529 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|2,0,0]=4 1530 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|2,0,0]=4 1531 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,0]=3 1532 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,0,0,0,0,0|2,0,0]=4 1533 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|2,0,0]=4 1534 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,0,0,0,0,0|2,0,0]=4 1535 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,0]=3 1536 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|2,0,0]=4 1537 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|2,0,0]=4 1538 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 1539 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 1540 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|1,0,1]=4 1541 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 1542 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 1543 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 1544 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 1545 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,0]=3 1546 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 1547 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [2,0,0,0,0,0|2,0,0]=4 1548 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [2,0,0,0,0,0|2,0,0]=4 1549 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [2,0,0,0,0,0|1,0,0]=3 1550 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 1551 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|1,0,0]=3 1552 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|0,0,1]=3 1553 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|0,0,1]=3 1554 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 1555 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|1,0,0]=3 1556 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|1,0,0]=3 1557 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 1558 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|1,0,0]=3 1559 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,0]=3 1560 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|0,0,0]=2 1561 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|1,0,1]=4 1562 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [2,0,0,0,0,0|2,0,0]=4 1563 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1564 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [2,0,0,0,0,0|2,0,0]=4 1565 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [2,0,0,0,0,0|1,0,0]=3 1566 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 1567 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [2,0,0,0,0,0|2,0,0]=4 1568 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|1,0,1]=4 1569 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|1,0,1]=4 1570 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 1571 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [2,0,0,0,0,0|2,0,0]=4 1572 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 1573 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [2,0,0,0,0,0|2,0,0]=4 1574 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 1575 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [2,0,0,0,0,0|2,0,0]=4 1576 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 1577 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [2,0,0,0,0,0|2,0,0]=4 1578 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [2,0,0,0,0,0|1,0,0]=3 1579 B9R1.1 COc1ccc(nn1)O 271570a_203496583355_100009819040 [2,0,0,0,0,0|2,0,0]=4 1580 B9R1.1 COc1cnc(cn1)O 271570a_203496583355_100011998698 [2,0,0,0,0,0|2,0,0]=4 1581 B9R1.1 COc1cnc(nc1)O 271570a_203496583355_100000069167 [2,0,0,0,0,0|2,0,0]=4 1582 B9R1.1 COc1ncc(cn1)O 271570a_203496583355_100000686852 [2,0,0,0,0,0|2,0,0]=4 1583 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [2,0,0,0,0,0|1,1,0]=4 1584 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [2,0,0,0,0,0|1,1,0]=4 1585 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|1,1,0]=4 1586 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|1,1,0]=4 1587 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|0,1,1]=4 1588 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|0,1,1]=4 1589 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|1,1,0]=4 1590 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|1,1,0]=4 1591 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|1,1,0]=4 1592 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|1,1,0]=4 1593 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|1,1,0]=4 1594 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|1,1,0]=4 1595 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|0,1,0]=3 1596 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|0,1,0]=3 1597 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [2,0,0,0,0,0|1,1,0]=4 1598 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [2,0,0,0,0,0|1,1,0]=4 1599 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [2,0,0,0,0,0|1,1,0]=4 1600 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [2,0,0,0,0,0|1,1,0]=4 1601 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|1,0,1]=4 1602 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|0,0,1]=3 1603 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|0,0,1]=3 1604 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|0,1,1]=4 1605 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|0,1,1]=4 1606 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|1,0,1]=4 1607 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|1,0,1]=4 1608 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|1,0,1]=4 1609 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 1610 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,1]=4 1611 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 1612 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,0]=2 1613 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|1,0,0]=3 1614 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|1,0,0]=3 1615 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [2,0,0,0,0,0|2,0,0]=4 1616 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [2,0,0,0,0,0|2,0,0]=4 1617 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [2,0,0,0,0,0|2,0,0]=4 1618 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,1]=3 1619 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|1,0,1]=4 1620 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|1,0,1]=4 1621 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,1]=4 1622 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 1623 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 1624 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 1625 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 1626 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 1627 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 1628 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 1629 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [2,0,0,0,0,0|1,0,0]=3 1630 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 1631 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|1,0,0]=3 1632 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 1633 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|1,0,0]=3 1634 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|1,0,0]=3 1635 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 1636 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|1,0,0]=3 1637 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,0]=3 1638 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [2,0,0,0,0,0|2,0,0]=4 1639 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1640 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [2,0,0,0,0,0|2,0,0]=4 1641 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 1642 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [2,0,0,0,0,0|2,0,0]=4 1643 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 1644 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [2,0,0,0,0,0|2,0,0]=4 1645 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 1646 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [2,0,0,0,0,0|2,0,0]=4 1647 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 1648 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [2,0,0,0,0,0|2,0,0]=4 1649 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 1650 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [2,0,0,0,0,0|2,0,0]=4 1651 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [2,0,0,0,0,0|1,1,0]=4 1652 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [2,0,0,0,0,0|1,1,0]=4 1653 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|1,1,0]=4 1654 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|1,1,0]=4 1655 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|1,1,0]=4 1656 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|1,1,0]=4 1657 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|1,1,0]=4 1658 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|1,1,0]=4 1659 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|1,1,0]=4 1660 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|1,1,0]=4 1661 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|0,1,0]=3 1662 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [2,0,0,0,0,0|1,1,0]=4 1663 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [2,0,0,0,0,0|1,1,0]=4 1664 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 1665 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 1666 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 1667 B11R1.83 C#Cc1ccc(cc1)COC 34a_100000054647_200000210301 [1,1,0,0,0,0|1,0,1]=4 1668 B11R1.83 C#Cc1ccc(cc1)COC 34a_100138415774_100000140223 [1,1,0,0,0,0|1,0,1]=4 1669 B11R1.83 C#Cc1ccc(cc1)COC 7a_100000054647_200000210301 [1,1,0,0,0,0|1,0,1]=4 1670 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 34a_100000054647_200025704644 [1,1,0,0,0,0|1,0,1]=4 1671 B11R1.83 C#Cc1ccc(cc1)CO[13CH3] 7a_100000054647_200025704644 [1,1,0,0,0,0|1,0,1]=4 1672 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,1,0,0,0,0|1,1,0]=4 1673 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,1,0,0,0,0|1,1,0]=4 1674 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,1,0,0,0,0|1,1,0]=4 1675 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,1,0,0,0,0|1,1,0]=4 1676 B11R1.83 C=C=Cc1ccc(cc1)C=O 271570a_100015277604_100000186029 [1,1,0,0,0,0|1,0,1]=4 1677 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,1,0,0,0,0|2,0,0]=4 1678 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,1,0,0,0,0|1,0,0]=3 1680 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [1,1,0,0,0,0|1,1,0]=4 1681 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [1,1,0,0,0,0|2,0,0]=4 1682 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [1,1,0,0,0,0|2,0,0]=4 1683 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 1684 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 1685 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 1686 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 1687 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,1,0,0,0,0|1,1,0]=4 1688 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,1,0,0,0,0|1,1,0]=4 1689 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,1,0,0,0,0|1,1,0]=4 1690 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,1,0,0,0,0|1,1,0]=4 1691 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [1,1,0,0,0,0|2,0,0]=4 1692 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,1,0,0,0,0|1,0,1]=4 1693 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [1,1,0,0,0,0|2,0,0]=4 1694 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [1,1,0,0,0,0|1,0,0]=3 1705 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [1,1,0,0,0,0|1,0,0]=3 1706 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [1,1,0,0,0,0|1,0,0]=3 1707 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [1,1,0,0,0,0|1,0,0]=3 1708 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [1,1,0,0,0,0|1,0,0]=3 1709 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [1,1,0,0,0,0|1,0,0]=3 1710 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [1,1,0,0,0,0|1,1,0]=4 1711 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [1,1,0,0,0,0|1,1,0]=4 1712 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [1,1,0,0,0,0|1,1,0]=4 1713 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [1,1,0,0,0,0|1,1,0]=4 1714 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [1,1,0,0,0,0|2,0,0]=4 1715 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [1,1,0,0,0,0|1,0,0]=3 1718 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [1,1,0,0,0,0|1,0,0]=3 1719 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [1,1,0,0,0,0|1,0,0]=3 1720 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [1,1,0,0,0,0|1,0,0]=3 1721 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [1,1,0,0,0,0|1,0,0]=3 1722 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [1,1,0,0,0,0|1,1,0]=4 1723 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [1,1,0,0,0,0|1,1,0]=4 1724 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [1,1,0,0,0,0|1,1,0]=4 1725 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [1,1,0,0,0,0|1,1,0]=4 1726 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [1,1,0,0,0,0|1,1,0]=4 1727 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [1,1,0,0,0,0|1,0,0]=3 1730 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,1,0,0,0,0|1,0,1]=4 1732 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,1,0,0,0,0|1,0,0]=3 1734 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,1,0,0,0,0|1,1,0]=4 1735 B11R1.83 CC=Cc1ccc(cn1)C=O 271570a_100016259895_100000766901 [1,1,0,0,0,0|2,0,0]=4 1736 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.83 CC=Cc1ccc(nc1)C=O 271570a_100016259895_100000754260 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1740 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1741 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1742 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1743 B11R1.83 CCNc1ccc(cc1)CO 2230a_100011215238_100000210202 [1,1,0,0,0,0|1,0,1]=4 1744 B11R1.83 CCNc1ccc(cc1)CO 34a_100011215238_100000210202 [1,1,0,0,0,0|1,0,1]=4 1745 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [1,1,0,0,0,0|1,0,1]=4 1746 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [1,1,0,0,0,0|1,0,1]=4 1747 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [1,1,0,0,0,0|1,0,1]=4 1748 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [1,1,0,0,0,0|1,0,1]=4 1749 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [1,1,0,0,0,0|1,0,1]=4 1750 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 1751 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [1,1,0,0,0,0|1,0,1]=4 1752 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [1,1,0,0,0,0|1,0,1]=4 1753 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [1,1,0,0,0,0|1,0,1]=4 1754 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,1]=4 1755 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [1,1,0,0,0,0|0,0,1]=3 1756 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1757 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1758 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1759 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1760 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [1,1,0,0,0,0|1,0,1]=4 1762 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [1,1,0,0,0,0|1,0,1]=4 1763 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [1,1,0,0,0,0|1,0,1]=4 1764 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [1,1,0,0,0,0|2,0,0]=4 1765 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [1,1,0,0,0,0|2,0,0]=4 1766 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.83 CCOc1ccc(nc1)CO 34a_103436540053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1768 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [1,1,0,0,0,0|0,1,0]=3 1769 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [1,1,0,0,0,0|0,1,0]=3 1770 B11R1.83 CCSc1ccc(cc1)CO 62a_100000210202_100000690907 [1,1,0,0,0,0|0,1,1]=4 1771 B11R1.83 CCSc1ccc(cc1)CO 62a_100000690907_100000210202 [1,1,0,0,0,0|0,1,1]=4 1772 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [1,1,0,0,0,0|1,0,1]=4 1773 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000210202_100000766901 [1,1,0,0,0,0|1,1,0]=4 1774 B11R1.83 CCSc1ccc(cn1)C=O 62a_100000766901_100000210202 [1,1,0,0,0,0|1,1,0]=4 1775 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000210202_100000754260 [1,1,0,0,0,0|1,1,0]=4 1776 B11R1.83 CCSc1ccc(nc1)C=O 62a_100000754260_100000210202 [1,1,0,0,0,0|1,1,0]=4 1777 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,1,0,0,0,0|1,0,1]=4 1778 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,1,0,0,0,0|1,0,1]=4 1779 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,1,0,0,0,0|1,0,1]=4 1780 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,1,0,0,0,0|1,0,1]=4 1781 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,1,0,0,0,0|1,0,1]=4 1782 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [1,1,0,0,0,0|1,0,1]=4 1783 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [1,1,0,0,0,0|1,0,1]=4 1784 B11R1.83 CNCc1ccc(cc1)C=O 2230a_106832991635_100009816848 [1,1,0,0,0,0|1,0,0]=3 1785 B11R1.83 CNCc1ccc(cc1)C=O 34a_100102657272_100009816848 [1,1,0,0,0,0|1,0,0]=3 1786 B11R1.83 CNCc1ccc(cc1)C=O 7a_106832991635_100009816848 [1,1,0,0,0,0|1,0,0]=3 1787 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [1,1,0,0,0,0|1,0,1]=4 1788 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [1,1,0,0,0,0|1,0,1]=4 1789 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [1,1,0,0,0,0|1,0,1]=4 1790 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [1,1,0,0,0,0|1,0,1]=4 1791 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [1,1,0,0,0,0|1,0,1]=4 1792 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [1,1,0,0,0,0|1,0,1]=4 1793 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [1,1,0,0,0,0|1,0,1]=4 1794 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [1,1,0,0,0,0|1,0,1]=4 1795 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|1,0,1]=4 1796 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|1,0,1]=4 1797 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|1,0,1]=4 1798 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|1,0,1]=4 1799 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|1,0,1]=4 1801 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|1,0,1]=4 1802 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|1,0,1]=4 1803 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|1,0,1]=4 1804 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [1,1,0,0,0,0|1,0,1]=4 1805 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,1]=4 1806 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [1,1,0,0,0,0|1,0,1]=4 1807 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.83 COCc1ccc(cc1)C#N 34a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 1809 B11R1.83 COCc1ccc(cc1)C#N 34a_100138415774_100000184898 [1,1,0,0,0,0|1,0,1]=4 1810 B11R1.83 COCc1ccc(cc1)C#N 7a_100000238739_200000210301 [1,1,0,0,0,0|1,0,1]=4 1811 B11R1.83 COCc1ccc(cc1)C=O 34a_100138415774_100009816848 [1,1,0,0,0,0|0,0,0]=2 1812 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1813 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1814 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 1815 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,1,0,0,0,0|1,0,1]=4 1816 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [1,1,0,0,0,0|1,0,1]=4 1817 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|0,0,1]=3 1818 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [1,1,0,0,0,0|1,0,1]=4 1819 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,1,0,0,0,0|0,0,1]=3 1820 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,1,0,0,0,0|0,0,1]=3 1821 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,1,0,0,0,0|0,0,1]=3 1822 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,1,0,0,0,0|0,0,1]=3 1823 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,1,0,0,0,0|0,0,1]=3 1824 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,1,0,0,0,0|0,0,1]=3 1825 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [1,1,0,0,0,0|0,1,1]=4 1826 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [1,1,0,0,0,0|0,1,1]=4 1827 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [1,1,0,0,0,0|0,1,1]=4 1828 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [1,1,0,0,0,0|0,1,1]=4 1829 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [1,1,0,0,0,0|0,1,1]=4 1830 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [1,1,0,0,0,0|0,1,1]=4 1831 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [1,1,0,0,0,0|0,1,1]=4 1832 B11R1.83 COCc1ccc(cn1)OC 34a_100011998694_200000210301 [1,1,0,0,0,0|1,0,1]=4 1833 B11R1.83 COCc1ccc(cn1)OC 34a_100138415774_200000757186 [1,1,0,0,0,0|1,0,1]=4 1834 B11R1.83 COCc1ccc(nc1)OC 34a_100000763316_200000210301 [1,1,0,0,0,0|1,0,1]=4 1835 B11R1.83 COCc1ccc(nc1)OC 34a_100138415774_100020631284 [1,1,0,0,0,0|1,0,1]=4 1836 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 1837 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 1838 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 1839 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 1840 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,1]=4 1841 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|0,0,1]=3 1842 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|0,0,1]=3 1843 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|1,0,1]=4 1844 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,1,0,0,0,0|0,0,1]=3 1845 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,1,0,0,0,0|0,1,1]=4 1846 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,1,0,0,0,0|0,1,1]=4 1847 B11R1.83 COc1ccc(cc1)NCF 34a_100000184247_100015361967 [1,1,0,0,0,0|1,0,1]=4 1848 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [1,1,0,0,0,0|1,0,1]=4 1849 B11R1.83 COc1ccc(cc1)SCF 62a_100015361967_100000171711 [1,1,0,0,0,0|1,0,1]=4 1850 B11R1.83 COc1ccc(cn1)CO[13CH3] 34a_100000763316_200025704644 [1,1,0,0,0,0|1,0,1]=4 1851 B11R1.83 COc1ccc(nc1)CO[13CH3] 34a_100011998694_200025704644 [1,1,0,0,0,0|1,0,1]=4 1852 B11R1.83 CSCc1ccc(cc1)C=O 62a_100009816848_200000210301 [1,1,0,0,0,0|0,1,0]=3 1853 B11R1.83 CSCc1ccc(cc1)C=O 62a_200000210301_100009816848 [1,1,0,0,0,0|0,1,0]=3 1854 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [1,1,0,0,0,0|0,1,1]=4 1855 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [1,1,0,0,0,0|0,1,1]=4 1856 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,1,0,0,0,0|1,1,0]=4 1857 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,1,0,0,0,0|1,1,0]=4 1858 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|0,1,0]=3 1859 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|0,1,0]=3 1860 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [1,1,0,0,0,0|0,1,1]=4 1861 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [1,1,0,0,0,0|0,1,1]=4 1862 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [1,1,0,0,0,0|0,1,1]=4 1863 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [1,1,0,0,0,0|0,1,1]=4 1864 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [1,1,0,0,0,0|2,0,0]=4 1865 B11R1.83 N#Cc1ccc(cc1)OCF 34a_100000210344_100015361967 [1,1,0,0,0,0|1,0,1]=4 1866 B11R1.83 N#Cc1ccc(cc1)OCF 7a_100000210344_100015361967 [1,1,0,0,0,0|1,0,1]=4 1867 B11R1.83 NCc1ccc(cc1)OCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,1]=4 1868 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100000188517_100015361967 [1,1,0,0,0,0|0,1,0]=3 1869 B11R1.83 O=Cc1ccc(cc1)SCF 62a_100015361967_100000188517 [1,1,0,0,0,0|0,1,0]=3 1870 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100000754260_100015361967 [1,1,0,0,0,0|1,1,0]=4 1871 B11R1.83 O=Cc1ccc(cn1)SCF 62a_100015361967_100000754260 [1,1,0,0,0,0|1,1,0]=4 1872 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100000766901_100015361967 [1,1,0,0,0,0|1,1,0]=4 1873 B11R1.83 O=Cc1ccc(nc1)SCF 62a_100015361967_100000766901 [1,1,0,0,0,0|1,1,0]=4 1874 B11R1.83 OCc1ccc(cc1)NCF 34a_100011215238_100015361967 [1,1,0,0,0,0|1,0,1]=4 1875 B11R1.83 OCc1ccc(cc1)OCF 34a_100000211755_100015361967 [1,1,0,0,0,0|0,0,1]=3 1876 B11R1.83 OCc1ccc(cc1)SCF 62a_100000690907_100015361967 [1,1,0,0,0,0|0,1,1]=4 1877 B11R1.83 OCc1ccc(cc1)SCF 62a_100015361967_100000690907 [1,1,0,0,0,0|0,1,1]=4 1878 B11R1.83 OCc1ccc(cn1)OCF 34a_103436540053_100015361967 [1,1,0,0,0,0|1,0,1]=4 1879 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [1,1,0,0,0,0|1,0,1]=4 1880 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [1,1,0,0,0,0|1,0,1]=4 1881 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1882 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,1]=4 1883 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 34a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 1884 B11R1.83 [13CH3]OCc1ccc(cc1)C#N 7a_100000238739_200025704644 [1,1,0,0,0,0|1,0,1]=4 1885 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1886 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1887 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 1888 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,1,0,0,0,0|1,0,1]=4 1889 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [1,1,0,0,0,0|1,0,1]=4 1890 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 1891 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 1892 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 1893 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 1894 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,1]=4 1895 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|0,0,1]=3 1896 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|0,0,1]=3 1897 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_100009816848_200025704644 [1,1,0,0,0,0|0,1,0]=3 1898 B11R1.83 [13CH3]SCc1ccc(cc1)C=O 62a_200025704644_100009816848 [1,1,0,0,0,0|0,1,0]=3 1899 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [1,1,0,0,0,0|0,1,1]=4 1900 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [1,1,0,0,0,0|0,1,1]=4 1901 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,1,0,0,0,0|1,1,0]=4 1902 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,1,0,0,0,0|1,1,0]=4 1903 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|0,1,0]=3 1904 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|0,1,0]=3 1905 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [1,1,0,0,0,0|0,1,1]=4 1906 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [1,1,0,0,0,0|0,1,1]=4 1907 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [1,1,0,0,0,0|2,0,0]=4 1908 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,1,0,0,0,0|2,0,0]=4 1909 B11R1.279 C=Cc1ccc(c(c1)Br)C=O 271570a_100011290941_100010185650 [1,1,0,0,0,0|1,0,1]=4 1910 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,1,0,0,0,0|1,0,0]=3 1911 B11R1.279 C=Cc1ccc(c(c1)C)C=O 271570a_100011290941_100000687586 [1,1,0,0,0,0|1,0,1]=4 1912 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [1,1,0,0,0,0|2,0,0]=4 1913 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|1,0,0]=3 1914 B11R1.279 C=Cc1ccc(c(c1)Cl)C=O 271570a_100011290941_100000727542 [1,1,0,0,0,0|1,0,1]=4 1915 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,1,0,0,0,0|1,0,0]=3 1916 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [1,1,0,0,0,0|1,1,0]=4 1917 B11R1.279 C=Cc1ccc(c(c1)F)C=O 271570a_100011290941_100000211676 [1,1,0,0,0,0|1,0,1]=4 1918 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [1,1,0,0,0,0|2,0,0]=4 1919 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [1,1,0,0,0,0|2,0,0]=4 1920 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,1,0,0,0,0|1,0,0]=3 1921 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [1,1,0,0,0,0|1,1,0]=4 1922 B11R1.279 C=Cc1ccc(c(c1)N)C=O 271570a_100011290941_100009814810 [1,1,0,0,0,0|1,0,1]=4 1923 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [1,1,0,0,0,0|2,0,0]=4 1924 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [1,1,0,0,0,0|2,0,0]=4 1925 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,1,0,0,0,0|1,0,0]=3 1926 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|1,0,1]=4 1927 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|1,0,0]=3 1928 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [1,1,0,0,0,0|2,0,0]=4 1929 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [1,1,0,0,0,0|2,0,0]=4 1933 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [1,1,0,0,0,0|2,0,0]=4 1934 B11R1.279 C=Cc1ccc(cc1Br)OC 271570a_100011290941_100012349170 [1,1,0,0,0,0|1,0,0]=3 1935 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|1,0,1]=4 1936 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [1,1,0,0,0,0|1,0,0]=3 1938 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,1,0,0,0,0|1,0,1]=4 1939 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.279 C=Cc1ccc(cc1F)NC 271570a_100011290941_100012285320 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.279 C=Cc1ccc(cc1F)OC 271570a_100011290941_100000753793 [1,1,0,0,0,0|1,0,0]=3 1942 B11R1.279 C=Cc1ccc(cc1F)SC 271570a_100011290941_100009816902 [1,1,0,0,0,0|1,1,0]=4 1943 B11R1.279 C=Cc1ccc(cc1F)SC 62a_100011935271_200000210301 [1,1,0,0,0,0|1,1,0]=4 1944 B11R1.279 C=Cc1ccc(cc1F)SC 62a_200000210301_100011935271 [1,1,0,0,0,0|1,1,0]=4 1945 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_100011935271_200025704644 [1,1,0,0,0,0|1,1,0]=4 1946 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100011935271 [1,1,0,0,0,0|1,1,0]=4 1947 B11R1.279 C=Cc1ccc(cc1N)OC 271570a_100011290941_100000748021 [1,1,0,0,0,0|1,0,0]=3 1948 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|1,0,1]=4 1949 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [1,1,0,0,0,0|1,0,0]=3 1950 B11R1.279 C=Cc1ccc(nc1C)OC 271570a_100011290941_100000766551 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.279 C=Cc1ccc(nc1F)OC 271570a_100011290941_100010067559 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.279 C=Cc1ccc(nc1N)OC 271570a_100011290941_100010187629 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [1,1,0,0,0,0|2,0,0]=4 1957 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,1,0,0,0,0|2,0,0]=4 1958 B11R1.279 C=Cc1cnc(cc1C)OC 271570a_100011290941_100011934368 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.279 C=Cc1cnc(cc1F)OC 271570a_100011290941_100010136277 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.279 C=Cc1cnc(cc1N)OC 271570a_100011290941_100010254562 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.279 C=Cc1cnc(cc1O)OC 271570a_100011290941_100010738159 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.279 C=Cc1ncc(cc1C)OC 271570a_100011290941_200009851512 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.279 C=Cc1ncc(cc1N)OC 271570a_100011290941_100010074831 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1965 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1966 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1967 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1968 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [1,1,0,0,0,0|1,0,1]=4 1969 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [1,1,0,0,0,0|1,0,1]=4 1970 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [1,1,0,0,0,0|1,0,1]=4 1971 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [1,1,0,0,0,0|1,0,1]=4 1972 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|1,0,1]=4 1973 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [1,1,0,0,0,0|1,0,1]=4 1974 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [1,1,0,0,0,0|1,0,1]=4 1975 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [1,1,0,0,0,0|1,0,1]=4 1976 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [1,1,0,0,0,0|1,0,1]=4 1977 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.279 CNc1ccc(c(c1)C)CO 34a_100000102464_200000210301 [1,1,0,0,0,0|1,0,1]=4 1979 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.279 CNc1ccc(c(c1)Cl)CO 34a_100000689119_200000210301 [1,1,0,0,0,0|1,0,1]=4 1983 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [1,1,0,0,0,0|2,0,0]=4 1987 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.279 CNc1ccc(c(n1)F)C=O 27a_100102657272_100010064369 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.279 CNc1ccc(cc1Br)OC 34a_100015195136_200000210301 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.279 CNc1ccc(cc1C)CO 2230a_200011997030_200000210301 [1,1,0,0,0,0|1,0,1]=4 1993 B11R1.279 CNc1ccc(cc1C)CO 34a_200011997030_200000210301 [1,1,0,0,0,0|1,0,1]=4 1994 B11R1.279 CNc1ccc(cc1C)OC 34a_100000750285_200000210301 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.279 CNc1ccc(cc1C)OC 34a_100161107805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.279 CNc1ccc(cc1C)OC 7a_100161107805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1997 B11R1.279 CNc1ccc(cc1C)O[13CH3] 34a_100161107805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.279 CNc1ccc(cc1C)O[13CH3] 7a_100161107805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.279 CNc1ccc(cc1Cl)OC 34a_100000747055_200000210301 [1,1,0,0,0,0|2,0,0]=4 2000 B11R1.279 CNc1ccc(cc1F)CO 2230a_100011217239_200000210301 [1,1,0,0,0,0|1,0,1]=4 2001 B11R1.279 CNc1ccc(cc1F)CO 34a_100011217239_200000210301 [1,1,0,0,0,0|1,0,1]=4 2002 B11R1.279 CNc1ccc(cc1F)OC 34a_100011299463_200000210301 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.279 CNc1ccc(cc1I)OC 34a_100000049804_200000210301 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|1,0,0]=3 2005 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.279 COc1ccc(c(c1)Br)C#N 34a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2007 B11R1.279 COc1ccc(c(c1)Br)C#N 7a_100012184851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2008 B11R1.279 COc1ccc(c(c1)Br)CO 34a_100010146404_200000210301 [1,1,0,0,0,0|0,0,1]=3 2009 B11R1.279 COc1ccc(c(c1)Br)CO 7a_100010146404_200000210301 [1,1,0,0,0,0|0,0,1]=3 2010 B11R1.279 COc1ccc(c(c1)Br)N[13CH3] 34a_100015195136_200025704644 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.279 COc1ccc(c(c1)Br)SC 62a_100012349170_200000210301 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.279 COc1ccc(c(c1)Br)SC 62a_200000210301_100012349170 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_100012349170_200025704644 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.279 COc1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100012349170 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.279 COc1ccc(c(c1)C)C#N 34a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2022 B11R1.279 COc1ccc(c(c1)C)C#N 7a_100000720286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2023 B11R1.279 COc1ccc(c(c1)C)N[13CH3] 34a_100000750285_200025704644 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.279 COc1ccc(c(c1)C)SC 34a_100000030144_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.279 COc1ccc(c(c1)C)SC 62a_100000759875_200000210301 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.279 COc1ccc(c(c1)C)SC 62a_200000210301_100000759875 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_100000759875_200025704644 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.279 COc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000759875 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.279 COc1ccc(c(c1)Cl)C#N 34a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2036 B11R1.279 COc1ccc(c(c1)Cl)C#N 7a_100000716493_200000210301 [1,1,0,0,0,0|1,0,1]=4 2037 B11R1.279 COc1ccc(c(c1)Cl)CN 34a_200161156549_200000210301 [1,1,0,0,0,0|1,0,1]=4 2038 B11R1.279 COc1ccc(c(c1)Cl)CO 34a_200000075811_200000210301 [1,1,0,0,0,0|0,0,1]=3 2039 B11R1.279 COc1ccc(c(c1)Cl)CO 7a_200000075811_200000210301 [1,1,0,0,0,0|0,0,1]=3 2040 B11R1.279 COc1ccc(c(c1)Cl)N[13CH3] 34a_100000747055_200025704644 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.279 COc1ccc(c(c1)F)C#N 34a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 2048 B11R1.279 COc1ccc(c(c1)F)C#N 7a_100000753931_200000210301 [1,1,0,0,0,0|1,0,1]=4 2049 B11R1.279 COc1ccc(c(c1)F)CO 34a_100000084598_200000210301 [1,1,0,0,0,0|0,0,1]=3 2050 B11R1.279 COc1ccc(c(c1)F)CO 7a_100000084598_200000210301 [1,1,0,0,0,0|0,0,1]=3 2051 B11R1.279 COc1ccc(c(c1)F)N[13CH3] 34a_100011299463_200025704644 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.279 COc1ccc(c(c1)F)SC 62a_100000753793_200000210301 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.279 COc1ccc(c(c1)F)SC 62a_200000210301_100000753793 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_100000753793_200025704644 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.279 COc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000753793 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.279 COc1ccc(c(c1)I)N[13CH3] 34a_100000049804_200025704644 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.279 COc1ccc(c(c1)N)SC 62a_100000748021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.279 COc1ccc(c(c1)N)SC 62a_200000210301_100000748021 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_100000748021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.279 COc1ccc(c(c1)N)S[13CH3] 62a_200025704644_100000748021 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.279 COc1ccc(c(c1)O)C#N 271570a_203496583355_100012355471 [1,1,0,0,0,0|1,0,1]=4 2072 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,1,0,0,0,0|0,0,0]=2 2073 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|0,0,1]=3 2074 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.279 COc1ccc(c(n1)O)C=O 271570a_203496583355_100012351648 [1,1,0,0,0,0|1,0,0]=3 2079 B11R1.279 COc1ccc(c(n1)O)CO 271570a_203496583355_100009885603 [1,1,0,0,0,0|1,0,1]=4 2080 B11R1.279 COc1ccc(cc1Br)C#N 34a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 2081 B11R1.279 COc1ccc(cc1Br)C#N 7a_100011216086_200000210301 [1,1,0,0,0,0|1,0,1]=4 2082 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|0,0,1]=3 2083 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|0,0,1]=3 2084 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [1,1,0,0,0,0|2,0,0]=4 2091 B11R1.279 COc1ccc(cc1C)C#N 34a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 2092 B11R1.279 COc1ccc(cc1C)C#N 7a_100000749339_200000210301 [1,1,0,0,0,0|1,0,1]=4 2093 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|0,0,1]=3 2094 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|0,0,1]=3 2095 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [1,1,0,0,0,0|2,0,0]=4 2100 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.279 COc1ccc(cc1Cl)C#N 34a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 2105 B11R1.279 COc1ccc(cc1Cl)C#N 7a_100000205955_200000210301 [1,1,0,0,0,0|1,0,1]=4 2106 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [1,1,0,0,0,0|2,0,0]=4 2109 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [1,1,0,0,0,0|2,0,0]=4 2110 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [1,1,0,0,0,0|2,0,0]=4 2113 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.279 COc1ccc(cc1F)C#N 34a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 2115 B11R1.279 COc1ccc(cc1F)C#N 7a_100000751310_200000210301 [1,1,0,0,0,0|1,0,1]=4 2116 B11R1.279 COc1ccc(cc1F)CN 34a_100000758358_200000210301 [1,1,0,0,0,0|1,0,1]=4 2117 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.279 COc1ccc(cc1I)C#N 34a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 2126 B11R1.279 COc1ccc(cc1I)C#N 7a_100000725478_200000210301 [1,1,0,0,0,0|1,0,1]=4 2127 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.279 COc1ccc(cc1N)C#N 34a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2131 B11R1.279 COc1ccc(cc1N)C#N 7a_100000766272_200000210301 [1,1,0,0,0,0|1,0,1]=4 2132 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|0,0,1]=3 2133 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 2138 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|0,0,0]=2 2139 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,1]=4 2140 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|0,0,1]=3 2141 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.279 COc1ccc(nc1Br)CO 34a_200009817064_200000210301 [1,1,0,0,0,0|1,0,1]=4 2145 B11R1.279 COc1ccc(nc1Br)CO 7a_200009817064_200000210301 [1,1,0,0,0,0|1,0,1]=4 2146 B11R1.279 COc1ccc(nc1Cl)CO 34a_200000118097_200000210301 [1,1,0,0,0,0|1,0,1]=4 2147 B11R1.279 COc1ccc(nc1Cl)CO 7a_200000118097_200000210301 [1,1,0,0,0,0|1,0,1]=4 2148 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,1,0,0,0,0|1,0,0]=3 2149 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,1,0,0,0,0|1,0,1]=4 2150 B11R1.279 COc1cnc(c(c1)O)C=O 271570a_203496583355_200010135874 [1,1,0,0,0,0|1,0,0]=3 2151 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,1,0,0,0,0|1,0,0]=3 2152 B11R1.279 COc1coc(cc1=O)CO 34a_100000211585_200000210301 [1,1,0,0,0,0|1,0,1]=4 2153 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,1,0,0,0,0|1,0,0]=3 2154 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_100000085382_200000210301 [1,1,0,0,0,0|1,1,0]=4 2155 B11R1.279 CSc1cc(c(cn1)C=O)C 62a_200000210301_100000085382 [1,1,0,0,0,0|1,1,0]=4 2156 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_100000050503_200000210301 [1,1,0,0,0,0|1,1,0]=4 2157 B11R1.279 CSc1cc(c(cn1)C=O)N 62a_200000210301_100000050503 [1,1,0,0,0,0|1,1,0]=4 2158 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_100010185650_200000210301 [1,1,0,0,0,0|0,1,0]=3 2159 B11R1.279 CSc1ccc(c(c1)Br)C=O 62a_200000210301_100010185650 [1,1,0,0,0,0|0,1,0]=3 2160 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_100010240206_200000210301 [1,1,0,0,0,0|0,1,1]=4 2161 B11R1.279 CSc1ccc(c(c1)Br)CO 62a_200000210301_100010240206 [1,1,0,0,0,0|0,1,1]=4 2162 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_100000766358_200000210301 [1,1,0,0,0,0|0,1,0]=3 2163 B11R1.279 CSc1ccc(c(c1)C)C=O 62a_200000210301_100000766358 [1,1,0,0,0,0|0,1,0]=3 2164 B11R1.279 CSc1ccc(c(c1)C)CO 62a_100000748258_200000210301 [1,1,0,0,0,0|0,1,1]=4 2165 B11R1.279 CSc1ccc(c(c1)C)CO 62a_200000210301_100000748258 [1,1,0,0,0,0|0,1,1]=4 2166 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_100000727542_200000210301 [1,1,0,0,0,0|0,1,0]=3 2167 B11R1.279 CSc1ccc(c(c1)Cl)C=O 62a_200000210301_100000727542 [1,1,0,0,0,0|0,1,0]=3 2168 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_100000211676_200000210301 [1,1,0,0,0,0|0,1,0]=3 2169 B11R1.279 CSc1ccc(c(c1)F)C=O 62a_200000210301_100000211676 [1,1,0,0,0,0|0,1,0]=3 2170 B11R1.279 CSc1ccc(c(c1)F)CO 62a_100011191541_200000210301 [1,1,0,0,0,0|0,1,1]=4 2171 B11R1.279 CSc1ccc(c(c1)F)CO 62a_200000210301_100011191541 [1,1,0,0,0,0|0,1,1]=4 2172 B11R1.279 CSc1ccc(c(c1)N)C=O 62a_100009814810_200000210301 [1,1,0,0,0,0|0,1,0]=3 2173 B11R1.279 CSc1ccc(c(c1)N)CO 62a_100000718831_200000210301 [1,1,0,0,0,0|0,1,1]=4 2174 B11R1.279 CSc1ccc(c(c1)N)CO 62a_200000210301_100000718831 [1,1,0,0,0,0|0,1,1]=4 2175 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_100011277552_200000210301 [1,1,0,0,0,0|0,1,0]=3 2176 B11R1.279 CSc1ccc(c(c1)O)C=O 62a_200000210301_100011277552 [1,1,0,0,0,0|0,1,0]=3 2177 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|0,1,1]=4 2178 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|0,1,1]=4 2179 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_100000050599_200000210301 [1,1,0,0,0,0|1,1,0]=4 2180 B11R1.279 CSc1ccc(c(n1)C)C=O 62a_200000210301_100000050599 [1,1,0,0,0,0|1,1,0]=4 2181 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_100010064369_200000210301 [1,1,0,0,0,0|1,1,0]=4 2182 B11R1.279 CSc1ccc(c(n1)F)C=O 62a_200000210301_100010064369 [1,1,0,0,0,0|1,1,0]=4 2183 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|0,1,0]=3 2184 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|0,1,0]=3 2185 B11R1.279 CSc1ccc(cc1C)CO 62a_100000718852_200000210301 [1,1,0,0,0,0|0,1,1]=4 2186 B11R1.279 CSc1ccc(cc1C)CO 62a_200000210301_100000718852 [1,1,0,0,0,0|0,1,1]=4 2187 B11R1.279 CSc1ccc(cc1C)O[13CH3] 34a_100000030144_200025704644 [1,1,0,0,0,0|2,0,0]=4 2188 B11R1.279 CSc1ccc(cc1Cl)CO 62a_100000718186_200000210301 [1,1,0,0,0,0|0,1,1]=4 2189 B11R1.279 CSc1ccc(cc1Cl)CO 62a_200000210301_100000718186 [1,1,0,0,0,0|0,1,1]=4 2190 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,1,0,0,0,0|0,1,0]=3 2191 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,1,0,0,0,0|0,1,0]=3 2192 B11R1.279 CSc1ccc(cc1F)CO 62a_100011533735_200000210301 [1,1,0,0,0,0|0,1,1]=4 2193 B11R1.279 CSc1ccc(cc1F)CO 62a_200000210301_100011533735 [1,1,0,0,0,0|0,1,1]=4 2194 B11R1.279 CSc1ccc(cc1N)CO 62a_100012347568_200000210301 [1,1,0,0,0,0|0,1,1]=4 2195 B11R1.279 CSc1ccc(cc1N)CO 62a_200000210301_100012347568 [1,1,0,0,0,0|0,1,1]=4 2196 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|0,1,0]=3 2197 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|0,1,0]=3 2198 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,1,0,0,0,0|0,1,1]=4 2199 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,1,0,0,0,0|0,1,1]=4 2200 B11R1.279 CSc1ccc(nc1C)C=O 62a_100010238520_200000210301 [1,1,0,0,0,0|1,1,0]=4 2201 B11R1.279 CSc1ccc(nc1C)C=O 62a_200000210301_100010238520 [1,1,0,0,0,0|1,1,0]=4 2202 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_100010185443_200000210301 [1,1,0,0,0,0|1,1,0]=4 2203 B11R1.279 CSc1cnc(c(c1)C)C=O 62a_200000210301_100010185443 [1,1,0,0,0,0|1,1,0]=4 2204 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_100010180630_200000210301 [1,1,0,0,0,0|1,1,0]=4 2205 B11R1.279 CSc1cnc(c(c1)F)C=O 62a_200000210301_100010180630 [1,1,0,0,0,0|1,1,0]=4 2206 B11R1.279 CSc1cnc(cc1C)C=O 62a_100009814806_200000210301 [1,1,0,0,0,0|1,1,0]=4 2207 B11R1.279 CSc1cnc(cc1C)C=O 62a_200000210301_100009814806 [1,1,0,0,0,0|1,1,0]=4 2208 B11R1.279 CSc1ncc(cc1C)C=O 62a_100000070293_200000210301 [1,1,0,0,0,0|1,1,0]=4 2209 B11R1.279 CSc1ncc(cc1C)C=O 62a_200000210301_100000070293 [1,1,0,0,0,0|1,1,0]=4 2210 B11R1.279 CSc1ncc(cc1F)C=O 62a_100009866847_200000210301 [1,1,0,0,0,0|1,1,0]=4 2211 B11R1.279 CSc1ncc(cc1F)C=O 62a_200000210301_100009866847 [1,1,0,0,0,0|1,1,0]=4 2212 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 34a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2213 B11R1.279 Cc1cc(ccc1C#N)O[13CH3] 7a_100000720286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2214 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_100000766358_200025704644 [1,1,0,0,0,0|0,1,0]=3 2215 B11R1.279 Cc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100000766358 [1,1,0,0,0,0|0,1,0]=3 2216 B11R1.279 Cc1cc(ccc1CO)N[13CH3] 34a_100000102464_200025704644 [1,1,0,0,0,0|1,0,1]=4 2217 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_100000748258_200025704644 [1,1,0,0,0,0|0,1,1]=4 2218 B11R1.279 Cc1cc(ccc1CO)S[13CH3] 62a_200025704644_100000748258 [1,1,0,0,0,0|0,1,1]=4 2219 B11R1.279 Cc1cc(ccc1N[13CH3])CO 2230a_200011997030_200025704644 [1,1,0,0,0,0|1,0,1]=4 2220 B11R1.279 Cc1cc(ccc1N[13CH3])CO 34a_200011997030_200025704644 [1,1,0,0,0,0|1,0,1]=4 2221 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 34a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 2222 B11R1.279 Cc1cc(ccc1O[13CH3])C#N 7a_100000749339_200025704644 [1,1,0,0,0,0|1,0,1]=4 2223 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|0,0,1]=3 2224 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|0,0,1]=3 2225 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|0,1,0]=3 2226 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|0,1,0]=3 2227 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_100000718852_200025704644 [1,1,0,0,0,0|0,1,1]=4 2228 B11R1.279 Cc1cc(ccc1S[13CH3])CO 62a_200025704644_100000718852 [1,1,0,0,0,0|0,1,1]=4 2229 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_100010185443_200025704644 [1,1,0,0,0,0|1,1,0]=4 2230 B11R1.279 Cc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010185443 [1,1,0,0,0,0|1,1,0]=4 2231 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_100000070293_200025704644 [1,1,0,0,0,0|1,1,0]=4 2232 B11R1.279 Cc1cc(cnc1S[13CH3])C=O 62a_200025704644_100000070293 [1,1,0,0,0,0|1,1,0]=4 2233 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_100000085382_200025704644 [1,1,0,0,0,0|1,1,0]=4 2234 B11R1.279 Cc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100000085382 [1,1,0,0,0,0|1,1,0]=4 2235 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_100009814806_200025704644 [1,1,0,0,0,0|1,1,0]=4 2236 B11R1.279 Cc1cc(ncc1S[13CH3])C=O 62a_200025704644_100009814806 [1,1,0,0,0,0|1,1,0]=4 2237 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_100000050599_200025704644 [1,1,0,0,0,0|1,1,0]=4 2238 B11R1.279 Cc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100000050599 [1,1,0,0,0,0|1,1,0]=4 2239 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_100010238520_200025704644 [1,1,0,0,0,0|1,1,0]=4 2240 B11R1.279 Cc1nc(ccc1S[13CH3])C=O 62a_200025704644_100010238520 [1,1,0,0,0,0|1,1,0]=4 2241 B11R1.279 N#Cc1ccc(c(c1)O)C=O 271570a_203496583355_100012355658 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|2,0,0]=4 2243 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|2,0,0]=4 2244 B11R1.279 [13CH3]Nc1ccc(c(c1)Cl)CO 34a_100000689119_200025704644 [1,1,0,0,0,0|1,0,1]=4 2245 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 2230a_100011217239_200025704644 [1,1,0,0,0,0|1,0,1]=4 2246 B11R1.279 [13CH3]Nc1ccc(cc1F)CO 34a_100011217239_200025704644 [1,1,0,0,0,0|1,0,1]=4 2247 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 34a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2248 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)C#N 7a_100012184851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2249 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 34a_100010146404_200025704644 [1,1,0,0,0,0|0,0,1]=3 2250 B11R1.279 [13CH3]Oc1ccc(c(c1)Br)CO 7a_100010146404_200025704644 [1,1,0,0,0,0|0,0,1]=3 2251 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 34a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2252 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)C#N 7a_100000716493_200025704644 [1,1,0,0,0,0|1,0,1]=4 2253 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CN 34a_200161156549_200025704644 [1,1,0,0,0,0|1,0,1]=4 2254 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 34a_200000075811_200025704644 [1,1,0,0,0,0|0,0,1]=3 2255 B11R1.279 [13CH3]Oc1ccc(c(c1)Cl)CO 7a_200000075811_200025704644 [1,1,0,0,0,0|0,0,1]=3 2256 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 34a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 2257 B11R1.279 [13CH3]Oc1ccc(c(c1)F)C#N 7a_100000753931_200025704644 [1,1,0,0,0,0|1,0,1]=4 2258 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 34a_100000084598_200025704644 [1,1,0,0,0,0|0,0,1]=3 2259 B11R1.279 [13CH3]Oc1ccc(c(c1)F)CO 7a_100000084598_200025704644 [1,1,0,0,0,0|0,0,1]=3 2260 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 34a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 2261 B11R1.279 [13CH3]Oc1ccc(cc1Br)C#N 7a_100011216086_200025704644 [1,1,0,0,0,0|1,0,1]=4 2262 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|0,0,1]=3 2263 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|0,0,1]=3 2264 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 34a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 2265 B11R1.279 [13CH3]Oc1ccc(cc1Cl)C#N 7a_100000205955_200025704644 [1,1,0,0,0,0|1,0,1]=4 2266 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 34a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 2267 B11R1.279 [13CH3]Oc1ccc(cc1F)C#N 7a_100000751310_200025704644 [1,1,0,0,0,0|1,0,1]=4 2268 B11R1.279 [13CH3]Oc1ccc(cc1F)CN 34a_100000758358_200025704644 [1,1,0,0,0,0|1,0,1]=4 2269 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 34a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 2270 B11R1.279 [13CH3]Oc1ccc(cc1I)C#N 7a_100000725478_200025704644 [1,1,0,0,0,0|1,0,1]=4 2271 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 34a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 2272 B11R1.279 [13CH3]Oc1ccc(cc1N)C#N 7a_100000766272_200025704644 [1,1,0,0,0,0|1,0,1]=4 2273 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|0,0,1]=3 2274 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 34a_200009817064_200025704644 [1,1,0,0,0,0|1,0,1]=4 2275 B11R1.279 [13CH3]Oc1ccc(nc1Br)CO 7a_200009817064_200025704644 [1,1,0,0,0,0|1,0,1]=4 2276 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 34a_200000118097_200025704644 [1,1,0,0,0,0|1,0,1]=4 2277 B11R1.279 [13CH3]Oc1ccc(nc1Cl)CO 7a_200000118097_200025704644 [1,1,0,0,0,0|1,0,1]=4 2278 B11R1.279 [13CH3]Oc1coc(cc1=O)CO 34a_100000211585_200025704644 [1,1,0,0,0,0|1,0,1]=4 2279 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_100000050503_200025704644 [1,1,0,0,0,0|1,1,0]=4 2280 B11R1.279 [13CH3]Sc1cc(c(cn1)C=O)N 62a_200025704644_100000050503 [1,1,0,0,0,0|1,1,0]=4 2281 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_100010185650_200025704644 [1,1,0,0,0,0|0,1,0]=3 2282 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)C=O 62a_200025704644_100010185650 [1,1,0,0,0,0|0,1,0]=3 2283 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_100010240206_200025704644 [1,1,0,0,0,0|0,1,1]=4 2284 B11R1.279 [13CH3]Sc1ccc(c(c1)Br)CO 62a_200025704644_100010240206 [1,1,0,0,0,0|0,1,1]=4 2285 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_100000727542_200025704644 [1,1,0,0,0,0|0,1,0]=3 2286 B11R1.279 [13CH3]Sc1ccc(c(c1)Cl)C=O 62a_200025704644_100000727542 [1,1,0,0,0,0|0,1,0]=3 2287 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_100000211676_200025704644 [1,1,0,0,0,0|0,1,0]=3 2288 B11R1.279 [13CH3]Sc1ccc(c(c1)F)C=O 62a_200025704644_100000211676 [1,1,0,0,0,0|0,1,0]=3 2289 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_100011191541_200025704644 [1,1,0,0,0,0|0,1,1]=4 2290 B11R1.279 [13CH3]Sc1ccc(c(c1)F)CO 62a_200025704644_100011191541 [1,1,0,0,0,0|0,1,1]=4 2291 B11R1.279 [13CH3]Sc1ccc(c(c1)N)C=O 62a_100009814810_200025704644 [1,1,0,0,0,0|0,1,0]=3 2292 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_100000718831_200025704644 [1,1,0,0,0,0|0,1,1]=4 2293 B11R1.279 [13CH3]Sc1ccc(c(c1)N)CO 62a_200025704644_100000718831 [1,1,0,0,0,0|0,1,1]=4 2294 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_100011277552_200025704644 [1,1,0,0,0,0|0,1,0]=3 2295 B11R1.279 [13CH3]Sc1ccc(c(c1)O)C=O 62a_200025704644_100011277552 [1,1,0,0,0,0|0,1,0]=3 2296 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|0,1,1]=4 2297 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|0,1,1]=4 2298 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_100010064369_200025704644 [1,1,0,0,0,0|1,1,0]=4 2299 B11R1.279 [13CH3]Sc1ccc(c(n1)F)C=O 62a_200025704644_100010064369 [1,1,0,0,0,0|1,1,0]=4 2300 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_100000718186_200025704644 [1,1,0,0,0,0|0,1,1]=4 2301 B11R1.279 [13CH3]Sc1ccc(cc1Cl)CO 62a_200025704644_100000718186 [1,1,0,0,0,0|0,1,1]=4 2302 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,1,0,0,0,0|0,1,0]=3 2303 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,1,0,0,0,0|0,1,0]=3 2304 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_100011533735_200025704644 [1,1,0,0,0,0|0,1,1]=4 2305 B11R1.279 [13CH3]Sc1ccc(cc1F)CO 62a_200025704644_100011533735 [1,1,0,0,0,0|0,1,1]=4 2306 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_100012347568_200025704644 [1,1,0,0,0,0|0,1,1]=4 2307 B11R1.279 [13CH3]Sc1ccc(cc1N)CO 62a_200025704644_100012347568 [1,1,0,0,0,0|0,1,1]=4 2308 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|0,1,0]=3 2309 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|0,1,0]=3 2310 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,1,0,0,0,0|0,1,1]=4 2311 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,1,0,0,0,0|0,1,1]=4 2312 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_100010180630_200025704644 [1,1,0,0,0,0|1,1,0]=4 2313 B11R1.279 [13CH3]Sc1cnc(c(c1)F)C=O 62a_200025704644_100010180630 [1,1,0,0,0,0|1,1,0]=4 2314 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_100009866847_200025704644 [1,1,0,0,0,0|1,1,0]=4 2315 B11R1.279 [13CH3]Sc1ncc(cc1F)C=O 62a_200025704644_100009866847 [1,1,0,0,0,0|1,1,0]=4 2316 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|1,0,1]=4 2317 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|1,0,1]=4 2318 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [1,1,0,0,0,0|1,0,1]=4 2319 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [1,1,0,0,0,0|2,0,0]=4 2320 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|2,0,0]=4 2321 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|2,0,0]=4 2322 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|2,0,0]=4 2323 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [1,1,0,0,0,0|2,0,0]=4 2324 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|2,0,0]=4 2325 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [1,1,0,0,0,0|2,0,0]=4 2326 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|2,0,0]=4 2329 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2333 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|1,0,0]=3 2334 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|2,0,0]=4 2337 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|1,0,0]=3 2338 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|1,0,0]=3 2339 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|1,0,0]=3 2341 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|1,0,0]=3 2345 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|1,0,0]=3 2346 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|1,0,0]=3 2348 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|1,0,0]=3 2352 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|1,0,0]=3 2354 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|1,0,0]=3 2358 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|1,0,0]=3 2359 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|1,0,0]=3 2361 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|1,0,0]=3 2365 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,0]=3 2366 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|1,0,0]=3 2369 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|1,0,0]=3 2370 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|2,0,0]=4 2371 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|2,0,0]=4 2373 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|2,0,0]=4 2375 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,0]=3 2376 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,0]=3 2377 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [1,1,0,0,0,0|2,0,0]=4 2378 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|2,0,0]=4 2379 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,1,0,0,0,0|1,0,1]=4 2383 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|1,0,0]=3 2384 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|1,0,0]=3 2385 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|1,0,0]=3 2386 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|1,0,0]=3 2387 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|1,0,0]=3 2388 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|1,0,0]=3 2389 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|1,0,0]=3 2390 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [1,1,0,0,0,0|1,0,1]=4 2391 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|1,0,0]=3 2392 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|1,0,0]=3 2393 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [1,1,0,0,0,0|1,0,0]=3 2394 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [1,1,0,0,0,0|1,0,0]=3 2395 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [1,1,0,0,0,0|1,0,0]=3 2397 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [1,1,0,0,0,0|1,0,1]=4 2398 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|2,0,0]=4 2400 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2401 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|1,0,0]=3 2403 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|2,0,0]=4 2404 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|2,0,0]=4 2405 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|2,0,0]=4 2406 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|2,0,0]=4 2407 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|1,0,0]=3 2408 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|2,0,0]=4 2409 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|2,0,0]=4 2410 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|1,0,0]=3 2413 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|2,0,0]=4 2414 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|2,0,0]=4 2415 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|2,0,0]=4 2416 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|2,0,0]=4 2417 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|1,0,0]=3 2418 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|2,0,0]=4 2419 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|2,0,0]=4 2420 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|2,0,0]=4 2421 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|2,0,0]=4 2422 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,0]=3 2423 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|2,0,0]=4 2424 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|1,0,0]=3 2425 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|2,0,0]=4 2426 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|2,0,0]=4 2427 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|2,0,0]=4 2428 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|1,0,0]=3 2429 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|1,0,0]=3 2430 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,1,0,0,0,0|2,0,0]=4 2431 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,1]=4 2432 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|2,0,0]=4 2433 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 2434 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 2435 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|1,0,0]=3 2437 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 2438 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 2439 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|1,0,0]=3 2440 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|2,0,0]=4 2441 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 2442 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 2443 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 2444 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|2,0,0]=4 2445 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 2448 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 2450 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 2451 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 2453 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,0]=3 2454 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 2455 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|0,0,0]=2 2458 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|1,0,0]=3 2459 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|1,0,0]=3 2460 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [1,1,0,0,0,0|2,0,0]=4 2461 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [1,1,0,0,0,0|2,0,0]=4 2462 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [1,1,0,0,0,0|2,0,0]=4 2463 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [1,1,0,0,0,0|2,0,0]=4 2464 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [1,1,0,0,0,0|1,0,1]=4 2465 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|1,0,1]=4 2466 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 2467 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [1,1,0,0,0,0|1,0,1]=4 2468 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|1,0,0]=3 2469 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 2470 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [1,1,0,0,0,0|1,0,1]=4 2471 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|1,0,0]=3 2472 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,1]=4 2473 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,0]=3 2474 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,1]=4 2475 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|1,0,0]=3 2476 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [1,1,0,0,0,0|2,0,0]=4 2477 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [1,1,0,0,0,0|2,0,0]=4 2478 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|2,0,0]=4 2479 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|2,0,0]=4 2480 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|2,0,0]=4 2481 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,0]=3 2483 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|0,0,0]=2 2484 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|0,0,1]=3 2485 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|0,0,2]=4 2486 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [1,1,0,0,0,0|2,0,0]=4 2487 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,1,0,0,0,0|2,0,0]=4 2488 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [1,1,0,0,0,0|2,0,0]=4 2489 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,1,0,0,0,0|2,0,0]=4 2490 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [1,1,0,0,0,0|2,0,0]=4 2491 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,1,0,0,0,0|2,0,0]=4 2492 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [1,1,0,0,0,0|2,0,0]=4 2493 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,1,0,0,0,0|2,0,0]=4 2494 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [1,1,0,0,0,0|2,0,0]=4 2495 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,1,0,0,0,0|2,0,0]=4 2496 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|2,0,0]=4 2497 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|2,0,0]=4 2498 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2499 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|1,0,0]=3 2500 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 2501 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 2502 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2503 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|1,0,0]=3 2504 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2505 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|1,0,0]=3 2506 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2507 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 2508 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 2509 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|1,0,0]=3 2510 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|1,0,0]=3 2511 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 2512 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|1,0,0]=3 2513 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 2514 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 2515 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 2516 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|1,0,0]=3 2517 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 2518 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|1,0,0]=3 2519 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 2520 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 2521 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 2522 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|1,0,0]=3 2523 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|1,0,0]=3 2524 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 2525 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|1,0,0]=3 2526 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 2527 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 2528 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|1,0,0]=3 2529 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2530 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|1,0,0]=3 2531 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|1,0,0]=3 2532 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|2,0,0]=4 2533 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|2,0,0]=4 2534 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|2,0,0]=4 2535 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|2,0,0]=4 2536 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,0]=3 2537 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,0]=3 2538 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,0]=3 2539 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [1,1,0,0,0,0|2,0,0]=4 2540 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [1,1,0,0,0,0|1,0,1]=4 2541 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|1,0,0]=3 2542 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2543 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2544 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2545 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 2546 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|1,0,0]=3 2547 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [1,1,0,0,0,0|2,0,0]=4 2548 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|1,0,0]=3 2549 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|1,0,0]=3 2550 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|1,0,0]=3 2551 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|1,0,0]=3 2552 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|1,0,0]=3 2553 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [1,1,0,0,0,0|1,0,1]=4 2554 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|1,0,0]=3 2555 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [1,1,0,0,0,0|2,0,0]=4 2556 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|1,0,0]=3 2557 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|1,0,0]=3 2558 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|1,0,0]=3 2559 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|2,0,0]=4 2560 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|2,0,0]=4 2561 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|1,0,0]=3 2562 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [1,1,0,0,0,0|2,0,0]=4 2563 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [1,1,0,0,0,0|2,0,0]=4 2564 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [1,1,0,0,0,0|2,0,0]=4 2565 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [1,1,0,0,0,0|1,0,1]=4 2566 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [1,1,0,0,0,0|1,0,1]=4 2567 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2568 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 2569 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 2570 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2571 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|1,0,0]=3 2572 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 2573 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 2574 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 2575 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 2576 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|1,0,0]=3 2577 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 2578 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 2579 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 2580 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 2581 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|1,0,0]=3 2582 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 2583 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 2584 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 2585 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2586 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|2,0,0]=4 2587 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|2,0,0]=4 2588 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|2,0,0]=4 2589 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,0]=3 2590 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_100009840242_200000210301 [0,1,0,0,1,0|1,1,0]=4 2591 B11R1.44 COC(=O)c1c[nH]c(c1)SC 62a_200000210301_100009840242 [0,1,0,0,1,0|1,1,0]=4 2592 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_100009840242_200025704644 [0,1,0,0,1,0|1,1,0]=4 2593 B11R1.44 COC(=O)c1c[nH]c(c1)S[13CH3] 62a_200025704644_100009840242 [0,1,0,0,1,0|1,1,0]=4 2594 B11R1.44 COC(=O)c1cc(c[nH]1)SC 62a_200000210301_100000205823 [0,1,0,0,1,0|1,1,0]=4 2595 B11R1.44 COC(=O)c1cc(c[nH]1)S[13CH3] 62a_200025704644_100000205823 [0,1,0,0,1,0|1,1,0]=4 2596 B11R1.44 COC(=O)c1cc(co1)SC 62a_200000210301_100009992624 [0,1,0,0,1,0|1,1,0]=4 2597 B11R1.44 COC(=O)c1cc(co1)S[13CH3] 62a_200025704644_100009992624 [0,1,0,0,1,0|1,1,0]=4 2598 B11R1.44 COC(=O)c1cc(cs1)SC 62a_100009815473_200000210301 [0,1,0,0,1,0|1,1,0]=4 2599 B11R1.44 COC(=O)c1cc(cs1)SC 62a_200000210301_100009815473 [0,1,0,0,1,0|1,1,0]=4 2600 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_100009815473_200025704644 [0,1,0,0,1,0|1,1,0]=4 2601 B11R1.44 COC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100009815473 [0,1,0,0,1,0|1,1,0]=4 2602 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,1,0,0,1,0|1,1,0]=4 2603 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,1,0,0,1,0|1,1,0]=4 2604 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,1,0,0,1,0|1,1,0]=4 2605 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,1,0,0,1,0|1,1,0]=4 2606 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,1,0,0,1,0|1,1,0]=4 2607 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,1,0,0,1,0|1,1,0]=4 2608 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,1,0,0,1,0|1,1,0]=4 2609 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,1,0,0,1,0|1,1,0]=4 2610 B11R1.44 COC(=O)c1csc(c1)SC 62a_100000692058_200000210301 [0,1,0,0,1,0|1,1,0]=4 2611 B11R1.44 COC(=O)c1csc(c1)SC 62a_200000210301_100000692058 [0,1,0,0,1,0|1,1,0]=4 2612 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_100000692058_200025704644 [0,1,0,0,1,0|1,1,0]=4 2613 B11R1.44 COC(=O)c1csc(c1)S[13CH3] 62a_200025704644_100000692058 [0,1,0,0,1,0|1,1,0]=4 2614 B11R1.124 COCc1csc(c1)C(=O)C 34a_100138415774_200000067479 [0,1,0,0,1,0|2,0,0]=4 2615 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 34a_100000165719_200000210301 [0,1,0,0,0,1|1,0,1]=4 2616 B13R1.4 COc1ccc(cc1)NS(=O)(=O)C 40a_100000184247_100000738038 [0,1,0,0,0,1|1,0,1]=4 2617 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)O[13CH3] 34a_100000165719_200025704644 [0,1,0,0,0,1|1,0,1]=4 2618 B13R1.5 C#CC(=O)Cc1ccc(cc1)CC 1458a_100000211873_100000747183 [0,1,0,0,0,1|2,0,0]=4 2619 B13R1.5 C#CC(=O)Cc1ccc(cc1)SC 1458a_100000211873_100000181263 [0,1,0,0,0,1|1,1,0]=4 2620 B13R1.5 C#CC(=O)Cc1ccc(cn1)OC 1458a_100000211873_200000757186 [0,1,0,0,0,1|2,0,0]=4 2621 B13R1.5 C#CC(=O)Cc1ccc(nc1)OC 1458a_100000211873_100020631284 [0,1,0,0,0,1|2,0,0]=4 2622 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,1,0,0,0,1|1,0,1]=4 2623 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 22a_100011215031_100000210174 [0,1,0,0,0,1|1,0,1]=4 2624 B13R1.5 C#Cc1ccc(cc1)NC(=O)CO 527a_100011215031_100000210174 [0,1,0,0,0,1|1,0,1]=4 2625 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,1,0,0,0,1|2,0,0]=4 2626 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,1,0,0,0,1|1,1,0]=4 2627 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,1,0,0,0,1|2,0,0]=4 2628 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,1,0,0,0,1|2,0,0]=4 2629 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,1,0,0,0,1|2,0,0]=4 2630 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,1,0,0,0,1|2,0,0]=4 2631 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,1,0,0,0,1|1,0,0]=3 2632 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,1,0,0,0,1|1,0,0]=3 2633 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,1,0,0,0,1|1,0,0]=3 2634 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,1,0,0,0,1|1,0,0]=3 2635 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,1,0,0,0,1|1,1,0]=4 2636 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,1,0,0,0,1|1,0,1]=4 2637 B13R1.5 C=Cc1ccc(cc1)CC(=O)OC 271570a_100011290941_100000149743 [0,1,0,0,0,1|1,0,1]=4 2638 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 22a_100011218248_100000210174 [0,1,0,0,0,1|1,0,1]=4 2639 B13R1.5 C=Cc1ccc(cc1)NC(=O)CO 527a_100011218248_100000210174 [0,1,0,0,0,1|1,0,1]=4 2640 B13R1.5 C=Cc1ccc(cc1)NC(=O)OC 271570a_100011290941_100000181880 [0,1,0,0,0,1|1,0,1]=4 2641 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_100000210414_100000747183 [0,1,0,0,0,1|2,0,0]=4 2642 B13R1.5 CCC(=O)Cc1ccc(cc1)CC 1458a_200000759805_100000210202 [0,1,0,0,0,1|2,0,0]=4 2643 B13R1.5 CCC(=O)Cc1ccc(cc1)OC 1458a_100000210706_100000210202 [0,1,0,0,0,1|1,0,0]=3 2644 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000210414_100000181263 [0,1,0,0,0,1|1,1,0]=4 2645 B13R1.5 CCC(=O)Cc1ccc(cc1)SC 1458a_100000756958_100000210202 [0,1,0,0,0,1|1,1,0]=4 2646 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000210414_200000757186 [0,1,0,0,0,1|2,0,0]=4 2647 B13R1.5 CCC(=O)Cc1ccc(cn1)OC 1458a_100000722272_100000210202 [0,1,0,0,0,1|2,0,0]=4 2648 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100000210414_100020631284 [0,1,0,0,0,1|2,0,0]=4 2649 B13R1.5 CCC(=O)Cc1ccc(nc1)OC 1458a_100012001117_100000210202 [0,1,0,0,0,1|2,0,0]=4 2650 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 11a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 2651 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 2652 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 2653 B13R1.5 CCC(=O)Nc1ccc(cc1)CC 527a_100000211069_100000210414 [0,1,0,0,0,1|2,0,0]=4 2654 B13R1.5 CCC(=O)Nc1ccc(cc1)NC 34a_100000186511_200000210301 [0,1,0,0,0,1|2,0,0]=4 2655 B13R1.5 CCC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000186511_200025704644 [0,1,0,0,0,1|2,0,0]=4 2656 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 11a_100000184247_100000210414 [0,1,0,0,0,1|1,0,0]=3 2657 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000210414 [0,1,0,0,0,1|1,0,0]=3 2658 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000210414 [0,1,0,0,0,1|1,0,0]=3 2659 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 34a_200000243810_200000210301 [0,1,0,0,0,1|1,0,0]=3 2660 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 527a_100000184247_100000210414 [0,1,0,0,0,1|1,0,0]=3 2661 B13R1.5 CCC(=O)Nc1ccc(cc1)OC 7a_200000243810_200000210301 [0,1,0,0,0,1|1,0,0]=3 2662 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 34a_200000243810_200025704644 [0,1,0,0,0,1|1,0,0]=3 2663 B13R1.5 CCC(=O)Nc1ccc(cc1)O[13CH3] 7a_200000243810_200025704644 [0,1,0,0,0,1|1,0,0]=3 2664 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 11a_100000212337_100000210414 [0,1,0,0,0,1|1,1,0]=4 2665 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000210414 [0,1,0,0,0,1|1,1,0]=4 2666 B13R1.5 CCC(=O)Nc1ccc(cc1)SC 527a_100000212337_100000210414 [0,1,0,0,0,1|1,1,0]=4 2667 B13R1.5 CCC(=O)Oc1ccc(cc1)SC 62a_200000210301_200009811598 [0,1,0,0,0,1|1,1,0]=4 2668 B13R1.5 CCC(=O)Oc1ccc(cc1)S[13CH3] 62a_200025704644_200009811598 [0,1,0,0,0,1|1,1,0]=4 2669 B13R1.5 CCc1ccc(cc1)CC(=O)CF 1458a_200000759805_100015361967 [0,1,0,0,0,1|2,0,0]=4 2670 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,1,0,0,0,1|1,0,0]=3 2671 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,1,0,0,0,1|2,0,0]=4 2672 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,1,0,0,0,1|2,0,0]=4 2673 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,1,0,0,0,1|2,0,0]=4 2674 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,1,0,0,0,1|2,0,0]=4 2675 B13R1.5 CCc1ccc(cc1)NC(=O)CO 22a_100000211069_100000210174 [0,1,0,0,0,1|1,0,0]=3 2676 B13R1.5 CCc1ccc(cc1)NC(=O)CO 527a_100000211069_100000210174 [0,1,0,0,0,1|1,0,0]=3 2677 B13R1.5 CCc1ccc(cc1)NC(=O)NC 2430a_100000211069_100102657272 [0,1,0,0,0,1|2,0,0]=4 2678 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,1,0,0,0,1|2,0,0]=4 2679 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,1,0,0,0,1|2,0,0]=4 2680 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,1,0,0,0,1|2,0,0]=4 2681 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,1,0,0,0,1|2,0,0]=4 2682 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,1,0,0,0,1|1,0,0]=3 2683 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,1,0,0,0,1|1,0,0]=3 2684 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,1,0,0,0,1|1,0,0]=3 2685 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,1,0,0,0,1|1,0,0]=3 2686 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,1,0,0,0,1|1,0,0]=3 2687 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,1,0,0,0,1|1,1,0]=4 2688 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,1,0,0,0,1|1,1,0]=4 2689 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,1,0,0,0,1|1,1,0]=4 2690 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,1,0,0,0,1|1,1,0]=4 2691 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,1,0,0,0,1|1,1,0]=4 2692 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,1,0,0,0,1|1,1,0]=4 2693 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,1,0,0,0,1|1,1,0]=4 2694 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,1,0,0,0,1|1,1,0]=4 2695 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 11a_106832991635_100000722272 [0,1,0,0,0,1|2,0,0]=4 2696 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 240690a_100102657272_100000722272 [0,1,0,0,0,1|2,0,0]=4 2697 B13R1.5 CNC(=O)Cc1ccc(cn1)OC 527a_100102657272_100000722272 [0,1,0,0,0,1|2,0,0]=4 2698 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 11a_106832991635_100012001117 [0,1,0,0,0,1|2,0,0]=4 2699 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 240690a_100102657272_100012001117 [0,1,0,0,0,1|2,0,0]=4 2700 B13R1.5 CNC(=O)Cc1ccc(nc1)OC 527a_100102657272_100012001117 [0,1,0,0,0,1|2,0,0]=4 2701 B13R1.5 CNC(=O)Nc1ccc(cc1)OC 2430a_100000184247_100102657272 [0,1,0,0,0,1|1,0,0]=3 2702 B13R1.5 CNC(=O)Nc1ccc(cc1)SC 2430a_100000212337_100102657272 [0,1,0,0,0,1|1,1,0]=4 2703 B13R1.5 CNc1ccc(cc1)NC(=O)CO 34a_100011269904_200000210301 [0,1,0,0,0,1|1,0,0]=3 2704 B13R1.5 COC(=O)Cc1ccc(cc1)OC 34a_100000211648_200000210301 [0,1,0,0,0,1|0,0,0]=2 2705 B13R1.5 COC(=O)Cc1ccc(cc1)O[13CH3] 34a_100000211648_200025704644 [0,1,0,0,0,1|0,0,0]=2 2706 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_100000149743_200000210301 [0,1,0,0,0,1|0,1,0]=3 2707 B13R1.5 COC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000149743 [0,1,0,0,0,1|0,1,0]=3 2708 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000149743_200025704644 [0,1,0,0,0,1|0,1,0]=3 2709 B13R1.5 COC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000149743 [0,1,0,0,0,1|0,1,0]=3 2710 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_100012362609_200000210301 [0,1,0,0,0,1|1,1,0]=4 2711 B13R1.5 COC(=O)Cc1ccc(cn1)SC 62a_200000210301_100012362609 [0,1,0,0,0,1|1,1,0]=4 2712 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_100012362609_200025704644 [0,1,0,0,0,1|1,1,0]=4 2713 B13R1.5 COC(=O)Cc1ccc(cn1)S[13CH3] 62a_200025704644_100012362609 [0,1,0,0,0,1|1,1,0]=4 2714 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_100000071674_200000210301 [0,1,0,0,0,1|1,1,0]=4 2715 B13R1.5 COC(=O)Cc1ccc(nc1)SC 62a_200000210301_100000071674 [0,1,0,0,0,1|1,1,0]=4 2716 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_100000071674_200025704644 [0,1,0,0,0,1|1,1,0]=4 2717 B13R1.5 COC(=O)Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000071674 [0,1,0,0,0,1|1,1,0]=4 2718 B13R1.5 COC(=O)Nc1ccc(cc1)OC 34a_100011235918_200000210301 [0,1,0,0,0,1|0,0,0]=2 2719 B13R1.5 COC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235918_200025704644 [0,1,0,0,0,1|0,0,0]=2 2720 B13R1.5 COC(=O)Nc1ccc(cc1)SC 62a_200000210301_100000181880 [0,1,0,0,0,1|0,1,0]=3 2721 B13R1.5 COC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000181880 [0,1,0,0,0,1|0,1,0]=3 2722 B13R1.5 COC(=O)Nc1ccc(cn1)SC 62a_200000210301_100000188976 [0,1,0,0,0,1|1,1,0]=4 2723 B13R1.5 COC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000188976 [0,1,0,0,0,1|1,1,0]=4 2724 B13R1.5 COc1ccc(cc1)CC(=O)CF 1458a_100000210706_100015361967 [0,1,0,0,0,1|1,0,0]=3 2725 B13R1.5 COc1ccc(cc1)CC(=O)NN 34a_100000020777_200000210301 [0,1,0,0,0,1|1,0,0]=3 2726 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,1,0,0,0,1|1,0,1]=4 2727 B13R1.5 COc1ccc(cc1)NC(=O)CCl 34a_100000233757_200000210301 [0,1,0,0,0,1|1,0,0]=3 2728 B13R1.5 COc1ccc(cc1)NC(=O)CO 22a_100000184247_100000210174 [0,1,0,0,0,1|0,0,0]=2 2729 B13R1.5 COc1ccc(cc1)NC(=O)CO 527a_100000184247_100000210174 [0,1,0,0,0,1|0,0,0]=2 2730 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,1,0,0,0,1|1,0,1]=4 2731 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,1,0,0,0,1|1,0,1]=4 2732 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,1,0,0,0,1|1,0,1]=4 2733 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,1,0,0,0,1|1,0,1]=4 2734 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,1,0,0,0,1|1,0,1]=4 2735 B13R1.5 COc1ccc(cn1)CC(=O)CF 1458a_100012001117_100015361967 [0,1,0,0,0,1|2,0,0]=4 2736 B13R1.5 COc1ccc(cn1)CC(=O)CO 1458a_100000210174_100020631284 [0,1,0,0,0,1|1,0,0]=3 2737 B13R1.5 COc1ccc(nc1)CC(=O)CF 1458a_100000722272_100015361967 [0,1,0,0,0,1|2,0,0]=4 2738 B13R1.5 COc1ccc(nc1)CC(=O)CO 1458a_100000210174_200000757186 [0,1,0,0,0,1|1,0,0]=3 2739 B13R1.5 CSc1ccc(cc1)CC(=O)CF 1458a_100000756958_100015361967 [0,1,0,0,0,1|1,1,0]=4 2740 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,1,0,0,0,1|0,1,0]=3 2741 B13R1.5 CSc1ccc(cc1)NC(=O)CN 62a_200000210301_100000741985 [0,1,0,0,0,1|1,1,0]=4 2742 B13R1.5 CSc1ccc(cc1)NC(=O)CO 22a_100000212337_100000210174 [0,1,0,0,0,1|0,1,0]=3 2743 B13R1.5 CSc1ccc(cc1)NC(=O)CO 527a_100000212337_100000210174 [0,1,0,0,0,1|0,1,0]=3 2744 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,1,0,0,0,1|2,0,0]=4 2745 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,1,0,0,0,1|2,0,0]=4 2746 B13R1.5 O=C(CO)Nc1ccc(cc1)CO 22a_100011215238_100000210174 [0,1,0,0,0,1|2,0,0]=4 2747 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,1,0,0,0,1|2,0,0]=4 2748 B13R1.5 [13CH3]Nc1ccc(cc1)NC(=O)CO 34a_100011269904_200025704644 [0,1,0,0,0,1|1,0,0]=3 2749 B13R1.5 [13CH3]Oc1ccc(cc1)CC(=O)NN 34a_100000020777_200025704644 [0,1,0,0,0,1|1,0,0]=3 2750 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,1,0,0,0,1|1,0,1]=4 2751 B13R1.5 [13CH3]Oc1ccc(cc1)NC(=O)CCl 34a_100000233757_200025704644 [0,1,0,0,0,1|1,0,0]=3 2752 B13R1.5 [13CH3]Sc1ccc(cc1)NC(=O)CN 62a_200025704644_100000741985 [0,1,0,0,0,1|1,1,0]=4 2753 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,1,0,0,0,1|1,0,0]=3 2754 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,1,0,0,0,1|1,0,0]=3 2755 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,1,0,0,0,1|1,0,0]=3 2756 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,1,0,0,0,1|1,0,0]=3 2757 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,1,0,0,0,1|1,0,0]=3 2758 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,1,0,0,0,1|1,0,0]=3 2759 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,1,0,0,0,1|1,0,0]=3 2760 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,1,0,0,0,1|1,0,0]=3 2761 B13R1.35 CC(=O)Nc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000155607 [0,1,0,0,0,1|1,1,0]=4 2762 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,1,0,0,0,1|1,0,0]=3 2763 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,1,0,0,0,1|1,0,0]=3 2764 B13R1.35 CC(=O)Nc1ccc(c(c1)F)S[13CH3] 62a_200025704644_100011219590 [0,1,0,0,0,1|1,1,0]=4 2765 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 11a_100000766362_100015343762 [0,1,0,0,0,1|2,0,0]=4 2766 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 1626a_100000766362_100015343762 [0,1,0,0,0,1|2,0,0]=4 2767 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 22a_100000766362_100000070787 [0,1,0,0,0,1|2,0,0]=4 2768 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 527a_100000766362_100103153847 [0,1,0,0,0,1|2,0,0]=4 2769 B13R1.35 COc1ccc(cc1Br)C=C(C)C 271570a_100102525489_100011249507 [0,1,0,0,0,1|2,0,0]=4 2770 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,1,0,0,0,1|1,0,0]=3 2771 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,1,0,0,0,1|1,0,0]=3 2772 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,1,0,0,0,1|1,0,0]=3 2773 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,1,0,0,0,1|1,0,0]=3 2774 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,1,0,0,0,1|1,0,0]=3 2775 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,1,0,0,0,1|1,0,0]=3 2776 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,1,0,0,0,1|1,0,0]=3 2777 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,1,0,0,0,1|1,0,0]=3 2778 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,1,0,0,0,1|1,0,0]=3 2779 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [0,1,0,0,0,1|2,0,0]=4 2780 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,1,0,0,0,1|1,0,0]=3 2781 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,1,0,0,0,1|1,0,0]=3 2782 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,1,0,0,0,1|1,0,0]=3 2783 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,1,0,0,0,1|1,0,0]=3 2784 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,1,0,0,0,1|1,0,0]=3 2785 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,1,0,0,0,1|1,0,0]=3 2786 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,1,0,0,0,1|1,0,0]=3 2787 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,1,0,0,0,1|1,0,0]=3 2788 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,1,0,0,0,1|1,0,0]=3 2789 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,1,0,0,0,1|1,0,0]=3 2790 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,1,0,0,0,1|1,0,0]=3 2791 B13R1.35 COc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_100012355395 [0,1,0,0,0,1|2,0,0]=4 2792 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,1,0,0,0,1|1,0,0]=3 2793 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,1,0,0,0,1|1,0,0]=3 2794 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,1,0,0,0,1|1,0,0]=3 2795 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,1,0,0,0,1|1,0,0]=3 2796 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,1,0,0,0,1|1,0,0]=3 2797 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,1,0,0,0,1|1,0,0]=3 2798 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,1,0,0,0,1|1,0,0]=3 2799 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,1,0,0,0,1|1,0,0]=3 2800 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,1,0,0,0,1|1,0,0]=3 2801 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,1,0,0,0,1|1,0,0]=3 2802 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,1,0,0,0,1|1,0,0]=3 2803 B13R1.35 COc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000185480 [0,1,0,0,0,1|2,0,0]=4 2804 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,1,0,0,0,1|1,0,0]=3 2805 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,1,0,0,0,1|1,0,0]=3 2806 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,1,0,0,0,1|1,0,0]=3 2807 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,1,0,0,0,1|1,0,0]=3 2808 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,1,0,0,0,1|1,0,0]=3 2809 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,1,0,0,0,1|1,0,0]=3 2810 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,1,0,0,0,1|1,0,0]=3 2811 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,1,0,0,0,1|1,0,0]=3 2812 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,1,0,0,0,1|1,0,0]=3 2813 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,1,0,0,0,1|1,0,0]=3 2814 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,1,0,0,0,1|1,0,0]=3 2815 B13R1.35 COc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000743470 [0,1,0,0,0,1|2,0,0]=4 2816 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,1,0,0,0,1|2,0,0]=4 2817 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,0,0,0,1|1,0,0]=3 2818 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,0,0,0,1|1,0,0]=3 2819 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,0,0,0,1|1,0,0]=3 2820 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,0,0,0,1|1,0,0]=3 2821 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,0,0,0,1|1,0,0]=3 2822 B13R1.35 COc1coc(cc1=O)CC(=O)C 1458a_100000070787_100000081511 [0,1,0,0,0,1|2,0,0]=4 2823 B13R1.35 CSc1ccc(cc1C)NC(=O)C 62a_200000210301_100000155607 [0,1,0,0,0,1|1,1,0]=4 2824 B13R1.35 CSc1ccc(cc1C)NC(=O)N 62a_200000210301_100000238934 [0,1,0,0,0,1|1,1,0]=4 2825 B13R1.35 CSc1ccc(cc1F)NC(=O)C 11a_100000762756_100015343762 [0,1,0,0,0,1|1,1,0]=4 2826 B13R1.35 CSc1ccc(cc1F)NC(=O)C 1626a_100000762756_100015343762 [0,1,0,0,0,1|1,1,0]=4 2827 B13R1.35 CSc1ccc(cc1F)NC(=O)C 22a_100000762756_100000070787 [0,1,0,0,0,1|1,1,0]=4 2828 B13R1.35 CSc1ccc(cc1F)NC(=O)C 527a_100000762756_100103153847 [0,1,0,0,0,1|1,1,0]=4 2829 B13R1.35 CSc1ccc(cc1F)NC(=O)C 62a_200000210301_100011219590 [0,1,0,0,0,1|1,1,0]=4 2830 B13R1.35 Cc1cc(ccc1S[13CH3])NC(=O)N 62a_200025704644_100000238934 [0,1,0,0,0,1|1,1,0]=4 2831 B13R1.36 CC(=O)N(C)c1ccc(cc1)N[13CH3] 34a_100000229935_200025704644 [0,1,0,0,0,1|2,0,0]=4 2832 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,1,0,0,0,1|1,0,0]=3 2833 B13R1.36 CC(=O)N(C)c1ccc(cc1)S[13CH3] 62a_200009816415_200025704644 [0,1,0,0,0,1|1,1,0]=4 2834 B13R1.36 CNc1ccc(cc1)N(C)C(=O)C 34a_100000229935_200000210301 [0,1,0,0,0,1|2,0,0]=4 2835 B13R1.36 COc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000171711 [0,1,0,0,0,1|2,0,0]=4 2836 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,1,0,0,0,1|1,0,0]=3 2837 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,1,0,0,0,1|1,0,0]=3 2838 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,1,0,0,0,1|1,0,0]=3 2839 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,1,0,0,0,1|1,0,0]=3 2840 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,1,0,0,0,1|1,0,0]=3 2841 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,1,0,0,0,1|1,0,0]=3 2842 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,1,0,0,0,1|1,0,0]=3 2843 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,1,0,0,0,1|1,0,0]=3 2844 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,1,0,0,0,1|1,0,0]=3 2845 B13R1.36 CSc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200000210301 [0,1,0,0,0,1|1,1,0]=4 2846 B13R1.36 CSc1ccc(cc1)N(C)C(=O)C 62a_200009816415_200000210301 [0,1,0,0,0,1|1,1,0]=4 2847 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200025704644 [0,1,0,0,0,1|1,1,0]=4 2848 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [0,1,0,0,0,1|1,0,0]=3 2849 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [0,1,0,0,0,1|1,0,0]=3 2850 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100000691760_100015361967 [0,1,0,0,0,1|1,1,0]=4 2851 B13R1.142 CC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000691760 [0,1,0,0,0,1|1,1,0]=4 2852 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 22a_100011204434_100000070787 [0,1,0,0,0,1|2,0,0]=4 2853 B13R1.142 CC(=O)Nc1ccc(cc1)CCO 527a_100011204434_100103153847 [0,1,0,0,0,1|2,0,0]=4 2854 B13R1.142 CC(=O)Nc1ccc(cc1)CN[13CH3] 34a_100000735448_200025704644 [0,1,0,0,0,1|2,0,0]=4 2855 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 34a_100000246270_200025704644 [0,1,0,0,0,1|1,0,0]=3 2856 B13R1.142 CC(=O)Nc1ccc(cc1)CO[13CH3] 7a_100000246270_200025704644 [0,1,0,0,0,1|1,0,0]=3 2857 B13R1.142 CC(=O)Nc1ccc(cc1)CS[13CH3] 62a_200025704644_100000731167 [0,1,0,0,0,1|1,1,0]=4 2858 B13R1.142 CC(=O)Nc1ccc(cc1)NCF 34a_100000184111_100015361967 [0,1,0,0,0,1|2,0,0]=4 2859 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [0,1,0,0,0,1|1,0,0]=3 2860 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [0,1,0,0,0,1|1,0,0]=3 2861 B13R1.142 CC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000155215 [0,1,0,0,0,1|1,1,0]=4 2862 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 34a_200000094647_100015361967 [0,1,0,0,0,1|2,0,0]=4 2863 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 7a_200000094647_100015361967 [0,1,0,0,0,1|2,0,0]=4 2864 B13R1.142 CC(=O)Oc1ccc(cc1)CS[13CH3] 62a_200025704644_100000033664 [0,1,0,0,0,1|1,1,0]=4 2865 B13R1.142 CC(=O)Oc1ccc(cc1)SCF 62a_100015361967_100000002173 [0,1,0,0,0,1|1,1,0]=4 2866 B13R1.142 CC(=O)Sc1ccc(cc1)SCF 62a_200009995050_100015361967 [0,1,0,0,0,1|1,1,0]=4 2867 B13R1.142 CC=Cc1ccc(cc1)CC(=O)C 271570a_100016259895_100000691760 [0,1,0,0,0,1|2,0,0]=4 2868 B13R1.142 CC=Cc1ccc(cc1)CC(=O)N 271570a_100016259895_100000162331 [0,1,0,0,0,1|2,0,0]=4 2869 B13R1.142 CC=Cc1ccc(cc1)NC(=O)C 271570a_100016259895_100000155215 [0,1,0,0,0,1|2,0,0]=4 2870 B13R1.142 CC=Cc1ccc(cc1)NC(=O)N 271570a_100016259895_100000198584 [0,1,0,0,0,1|2,0,0]=4 2871 B13R1.142 CC=Cc1ccc(cc1)OC(=O)C 271570a_100016259895_100000002173 [0,1,0,0,0,1|2,0,0]=4 2872 B13R1.142 CC=Cc1ccc(cc1)SC(=O)C 271570a_100016259895_200009995050 [0,1,0,0,0,1|2,0,0]=4 2873 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [0,1,0,0,0,1|2,0,0]=4 2874 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [0,1,0,0,0,1|2,0,0]=4 2875 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [0,1,0,0,0,1|2,0,0]=4 2876 B13R1.142 CCCc1ccc(cc1)NC(=O)C 11a_100000211780_100015343762 [0,1,0,0,0,1|2,0,0]=4 2877 B13R1.142 CCCc1ccc(cc1)NC(=O)C 1626a_100000211780_100015343762 [0,1,0,0,0,1|2,0,0]=4 2878 B13R1.142 CCCc1ccc(cc1)NC(=O)C 22a_100000211780_100000070787 [0,1,0,0,0,1|2,0,0]=4 2879 B13R1.142 CCCc1ccc(cc1)NC(=O)C 527a_100000211780_100103153847 [0,1,0,0,0,1|2,0,0]=4 2880 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2230a_100000738315_100000210202 [0,1,0,0,0,1|2,0,0]=4 2881 B13R1.142 CCNc1ccc(cc1)CC(=O)N 34a_100000738315_100000210202 [0,1,0,0,0,1|2,0,0]=4 2882 B13R1.142 CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000210202 [0,1,0,0,0,1|2,0,0]=4 2883 B13R1.142 CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169946 [0,1,0,0,0,1|2,0,0]=4 2884 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [0,1,0,0,0,1|1,0,0]=3 2885 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [0,1,0,0,0,1|1,0,0]=3 2886 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [0,1,0,0,0,1|1,0,0]=3 2887 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [0,1,0,0,0,1|1,0,0]=3 2888 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [0,1,0,0,0,1|1,0,0]=3 2889 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [0,1,0,0,0,1|1,0,0]=3 2890 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [0,1,0,0,0,1|1,0,0]=3 2891 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [0,1,0,0,0,1|1,0,0]=3 2892 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [0,1,0,0,0,1|1,0,0]=3 2893 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [0,1,0,0,0,1|1,0,0]=3 2894 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [0,1,0,0,0,1|1,0,0]=3 2895 B13R1.142 CCOc1ccc(nc1)NC(=O)C 34a_200000094647_100000210202 [0,1,0,0,0,1|2,0,0]=4 2896 B13R1.142 CCOc1ccc(nc1)NC(=O)C 7a_200000094647_100000210202 [0,1,0,0,0,1|2,0,0]=4 2897 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [0,1,0,0,0,1|1,1,0]=4 2898 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [0,1,0,0,0,1|1,1,0]=4 2899 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000162331_100000210202 [0,1,0,0,0,1|1,1,0]=4 2900 B13R1.142 CCSc1ccc(cc1)CC(=O)N 62a_100000210202_100000162331 [0,1,0,0,0,1|1,1,0]=4 2901 B13R1.142 CCSc1ccc(cc1)NC(=O)C 11a_100015187087_100015343762 [0,1,0,0,0,1|1,1,0]=4 2902 B13R1.142 CCSc1ccc(cc1)NC(=O)C 1626a_100015187087_100015343762 [0,1,0,0,0,1|1,1,0]=4 2903 B13R1.142 CCSc1ccc(cc1)NC(=O)C 22a_100015187087_100000070787 [0,1,0,0,0,1|1,1,0]=4 2904 B13R1.142 CCSc1ccc(cc1)NC(=O)C 527a_100015187087_100103153847 [0,1,0,0,0,1|1,1,0]=4 2905 B13R1.142 CCSc1ccc(cc1)NC(=O)C 62a_100000210202_100000155215 [0,1,0,0,0,1|1,1,0]=4 2906 B13R1.142 CCSc1ccc(cc1)NC(=O)N 62a_100000210202_100000198584 [0,1,0,0,0,1|1,1,0]=4 2907 B13R1.142 CCSc1ccc(cc1)OC(=O)C 62a_100000210202_100000002173 [0,1,0,0,0,1|1,1,0]=4 2908 B13R1.142 CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210202 [0,1,0,0,0,1|1,1,0]=4 2909 B13R1.142 CNCc1ccc(cc1)CC(=O)O 269956a_100016989728_200000210301 [0,1,0,0,0,1|1,0,0]=3 2910 B13R1.142 CNCc1ccc(cc1)NC(=O)C 207a_100102657272_100000210072 [0,1,0,0,0,1|2,0,0]=4 2911 B13R1.142 CNCc1ccc(cc1)NC(=O)C 2230a_106832991635_100000731167 [0,1,0,0,0,1|2,0,0]=4 2912 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100000735448_200000210301 [0,1,0,0,0,1|2,0,0]=4 2913 B13R1.142 CNCc1ccc(cc1)NC(=O)C 34a_100102657272_100000731167 [0,1,0,0,0,1|2,0,0]=4 2914 B13R1.142 CNCc1ccc(cc1)NC(=O)C 7a_106832991635_100000731167 [0,1,0,0,0,1|2,0,0]=4 2915 B13R1.142 CNCc1ccc(cc1)OC(=O)C 207a_100102657272_100000014718 [0,1,0,0,0,1|2,0,0]=4 2916 B13R1.142 CNCc1ccc(cc1)OC(=O)C 2230a_106832991635_100000033664 [0,1,0,0,0,1|2,0,0]=4 2917 B13R1.142 CNCc1ccc(cc1)OC(=O)C 270004a_106832991635_100000014718 [0,1,0,0,0,1|2,0,0]=4 2918 B13R1.142 CNCc1ccc(cc1)OC(=O)C 7a_106832991635_100000033664 [0,1,0,0,0,1|2,0,0]=4 2919 B13R1.142 COCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011493685 [0,1,0,0,0,1|2,0,0]=4 2920 B13R1.142 COCc1ccc(cc1)CC(=O)C 1458a_100011290826_200000210301 [0,1,0,0,0,1|1,0,0]=3 2921 B13R1.142 COCc1ccc(cc1)CC(=O)[13CH3] 1458a_100011290826_200025704644 [0,1,0,0,0,1|1,0,0]=3 2922 B13R1.142 COCc1ccc(cc1)NC(=O)C 11a_100000694113_100015343762 [0,1,0,0,0,1|1,0,0]=3 2923 B13R1.142 COCc1ccc(cc1)NC(=O)C 1626a_100000694113_100015343762 [0,1,0,0,0,1|1,0,0]=3 2924 B13R1.142 COCc1ccc(cc1)NC(=O)C 22a_100000694113_100000070787 [0,1,0,0,0,1|1,0,0]=3 2925 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100000246270_200000210301 [0,1,0,0,0,1|1,0,0]=3 2926 B13R1.142 COCc1ccc(cc1)NC(=O)C 34a_100138415774_100000731167 [0,1,0,0,0,1|1,0,0]=3 2927 B13R1.142 COCc1ccc(cc1)NC(=O)C 527a_100000694113_100103153847 [0,1,0,0,0,1|1,0,0]=3 2928 B13R1.142 COCc1ccc(cc1)NC(=O)C 7a_100000246270_200000210301 [0,1,0,0,0,1|1,0,0]=3 2929 B13R1.142 CSCc1ccc(cc1)NC(=O)C 11a_106726388226_100015343762 [0,1,0,0,0,1|1,1,0]=4 2930 B13R1.142 CSCc1ccc(cc1)NC(=O)C 1626a_106726388226_100015343762 [0,1,0,0,0,1|1,1,0]=4 2931 B13R1.142 CSCc1ccc(cc1)NC(=O)C 22a_106726388226_100000070787 [0,1,0,0,0,1|1,1,0]=4 2932 B13R1.142 CSCc1ccc(cc1)NC(=O)C 527a_106726388226_100103153847 [0,1,0,0,0,1|1,1,0]=4 2933 B13R1.142 CSCc1ccc(cc1)NC(=O)C 62a_200000210301_100000731167 [0,1,0,0,0,1|1,1,0]=4 2934 B13R1.142 CSCc1ccc(cc1)OC(=O)C 62a_200000210301_100000033664 [0,1,0,0,0,1|1,1,0]=4 2935 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 34a_100000738315_100015361967 [0,1,0,0,0,1|2,0,0]=4 2936 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 34a_100000020825_100015361967 [0,1,0,0,0,1|1,0,0]=3 2937 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100000162331_100015361967 [0,1,0,0,0,1|1,1,0]=4 2938 B13R1.142 NC(=O)Cc1ccc(cc1)SCF 62a_100015361967_100000162331 [0,1,0,0,0,1|1,1,0]=4 2939 B13R1.142 NC(=O)Nc1ccc(cc1)SCF 62a_100015361967_100000198584 [0,1,0,0,0,1|1,1,0]=4 2940 B13R1.142 [13CH3]NCc1ccc(cc1)CC(=O)O 269956a_100016989728_200025704644 [0,1,0,0,0,1|1,0,0]=3 2941 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)C 271570a_100000694244_100000691760 [0,1,0,0,0,1|2,0,0]=4 2942 B13R1.585 C=C(C)c1ccc(cc1)CC(=O)N 271570a_100000694244_100000162331 [0,1,0,0,0,1|2,0,0]=4 2943 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)C 271570a_100000694244_100000155215 [0,1,0,0,0,1|2,0,0]=4 2944 B13R1.585 C=C(C)c1ccc(cc1)NC(=O)N 271570a_100000694244_100000198584 [0,1,0,0,0,1|2,0,0]=4 2945 B13R1.585 C=C(C)c1ccc(cc1)OC(=O)C 271570a_100000694244_100000002173 [0,1,0,0,0,1|2,0,0]=4 2946 B13R1.585 C=C(C)c1ccc(cc1)SC(=O)C 271570a_100000694244_200009995050 [0,1,0,0,0,1|2,0,0]=4 2947 B13R1.585 CC(=O)Cc1ccc(cc1)C(=O)C 1458a_100000070787_100000756337 [0,1,0,0,0,1|2,0,0]=4 2948 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000070787_100000181262 [0,1,0,0,0,1|2,0,0]=4 2949 B13R1.585 CC(=O)Cc1ccc(cc1)C(C)C 1458a_100000689720_200000210301 [0,1,0,0,0,1|2,0,0]=4 2950 B13R1.585 CC(=O)Cc1ccc(cc1)N(C)C 1458a_100011218386_200000210301 [0,1,0,0,0,1|2,0,0]=4 2951 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C 1458a_100000185149_200000210301 [0,1,0,0,0,1|2,0,0]=4 2952 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)[13CH3] 1458a_100000185149_200025704644 [0,1,0,0,0,1|2,0,0]=4 2953 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 11a_100000210773_100015343762 [0,1,0,0,0,1|2,0,0]=4 2954 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 1626a_100000210773_100015343762 [0,1,0,0,0,1|2,0,0]=4 2955 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 22a_100000210773_100000070787 [0,1,0,0,0,1|2,0,0]=4 2956 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)C 527a_100000210773_100103153847 [0,1,0,0,0,1|2,0,0]=4 2957 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 22a_100011216399_100000070787 [0,1,0,0,0,1|2,0,0]=4 2958 B13R1.585 CC(=O)Nc1ccc(cc1)C(C)O 527a_100011216399_100103153847 [0,1,0,0,0,1|2,0,0]=4 2959 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 11a_100016997997_100015343762 [0,1,0,0,0,1|2,0,0]=4 2960 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 1626a_100016997997_100015343762 [0,1,0,0,0,1|2,0,0]=4 2961 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 2230a_100000219403_200000210301 [0,1,0,0,0,1|2,0,0]=4 2962 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 22a_100016997997_100000070787 [0,1,0,0,0,1|2,0,0]=4 2963 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 269982a_100000219403_200000210301 [0,1,0,0,0,1|2,0,0]=4 2964 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 34a_100000219403_200000210301 [0,1,0,0,0,1|2,0,0]=4 2965 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 38a_100000219403_200000210301 [0,1,0,0,0,1|2,0,0]=4 2966 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)C 527a_100016997997_100103153847 [0,1,0,0,0,1|2,0,0]=4 2967 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 2230a_100000219403_200025704644 [0,1,0,0,0,1|2,0,0]=4 2968 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 269982a_100000219403_200025704644 [0,1,0,0,0,1|2,0,0]=4 2969 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 34a_100000219403_200025704644 [0,1,0,0,0,1|2,0,0]=4 2970 B13R1.585 CC(=O)Nc1ccc(cc1)N(C)[13CH3] 38a_100000219403_200025704644 [0,1,0,0,0,1|2,0,0]=4 2971 B13R1.585 CC(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100000689720_200025704644 [0,1,0,0,0,1|2,0,0]=4 2972 B13R1.585 CN(C)c1ccc(cc1)CC(=O)[13CH3] 1458a_100011218386_200025704644 [0,1,0,0,0,1|2,0,0]=4 2973 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 34a_200000084595_200025704644 [0,1,0,0,0,1|1,0,0]=3 2974 B13R1.653 CC(=O)Cc1ccc(cc1Cl)O[13CH3] 7a_200000084595_200025704644 [0,1,0,0,0,1|1,0,0]=3 2975 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 34a_100000736504_200025704644 [0,1,0,0,0,1|2,0,0]=4 2976 B13R1.653 CC(=O)Nc1ccc(cc1C)N[13CH3] 7a_100000736504_200025704644 [0,1,0,0,0,1|2,0,0]=4 2977 B13R1.653 CC(=O)Nc1ccc(cc1C)S[13CH3] 62a_200025704644_100000152120 [0,1,0,0,0,1|1,1,0]=4 2978 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 34a_100000244014_200025704644 [0,1,0,0,0,1|2,0,0]=4 2979 B13R1.653 CC(=O)Nc1ccc(cc1Cl)N[13CH3] 7a_100000244014_200025704644 [0,1,0,0,0,1|2,0,0]=4 2980 B13R1.653 CC(=O)Nc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011273303 [0,1,0,0,0,1|1,1,0]=4 2981 B13R1.653 CC(=O)Nc1ccc(cc1F)S[13CH3] 62a_200025704644_100000155584 [0,1,0,0,0,1|1,1,0]=4 2982 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_100009811628_200025704644 [0,1,0,0,0,1|1,1,0]=4 2983 B13R1.653 CC(=O)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811628 [0,1,0,0,0,1|1,1,0]=4 2984 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 11a_100012339725_100015343762 [0,1,0,0,0,1|2,0,0]=4 2985 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 1626a_100012339725_100015343762 [0,1,0,0,0,1|2,0,0]=4 2986 B13R1.653 CCc1ccc(c(c1)Br)NC(=O)C 527a_100012339725_100103153847 [0,1,0,0,0,1|2,0,0]=4 2987 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 11a_100011226020_100015343762 [0,1,0,0,0,1|2,0,0]=4 2988 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 1626a_100011226020_100015343762 [0,1,0,0,0,1|2,0,0]=4 2989 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 22a_100011226020_100000070787 [0,1,0,0,0,1|2,0,0]=4 2990 B13R1.653 CCc1ccc(c(c1)C)NC(=O)C 527a_100011226020_100103153847 [0,1,0,0,0,1|2,0,0]=4 2991 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 11a_100016177294_100015343762 [0,1,0,0,0,1|2,0,0]=4 2992 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 1626a_100016177294_100015343762 [0,1,0,0,0,1|2,0,0]=4 2993 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 22a_100016177294_100000070787 [0,1,0,0,0,1|2,0,0]=4 2994 B13R1.653 CCc1ccc(c(c1)F)NC(=O)C 527a_100016177294_100103153847 [0,1,0,0,0,1|2,0,0]=4 2995 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 22a_100000124328_100000070787 [0,1,0,0,0,1|2,0,0]=4 2996 B13R1.653 CCc1ccc(c(c1)O)NC(=O)C 527a_100000124328_100103153847 [0,1,0,0,0,1|2,0,0]=4 2997 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 34a_100000736504_200000210301 [0,1,0,0,0,1|2,0,0]=4 2998 B13R1.653 CNc1ccc(c(c1)C)NC(=O)C 7a_100000736504_200000210301 [0,1,0,0,0,1|2,0,0]=4 2999 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 34a_100000244014_200000210301 [0,1,0,0,0,1|2,0,0]=4 3000 B13R1.653 CNc1ccc(c(c1)Cl)NC(=O)C 7a_100000244014_200000210301 [0,1,0,0,0,1|2,0,0]=4 3001 B13R1.653 COc1ccc(c(c1)Br)C=C(C)C 271570a_100102525489_100012349170 [0,1,0,0,0,1|2,0,0]=4 3002 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000070787_100011982828 [0,1,0,0,0,1|1,0,0]=3 3003 B13R1.653 COc1ccc(c(c1)Br)CC(=O)C 1458a_100000238646_200000210301 [0,1,0,0,0,1|1,0,0]=3 3004 B13R1.653 COc1ccc(c(c1)Br)CC(=O)[13CH3] 1458a_100000238646_200025704644 [0,1,0,0,0,1|1,0,0]=3 3005 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 11a_100015195136_100015343762 [0,1,0,0,0,1|1,0,0]=3 3006 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 1626a_100015195136_100015343762 [0,1,0,0,0,1|1,0,0]=3 3007 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 22a_100015195136_100000070787 [0,1,0,0,0,1|1,0,0]=3 3008 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 527a_100015195136_100103153847 [0,1,0,0,0,1|1,0,0]=3 3009 B13R1.653 COc1ccc(c(c1)C)C=C(C)C 271570a_100102525489_100000759875 [0,1,0,0,0,1|2,0,0]=4 3010 B13R1.653 COc1ccc(c(c1)C)CC(=O)C 1458a_100011996676_200000210301 [0,1,0,0,0,1|1,0,0]=3 3011 B13R1.653 COc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011996676_200025704644 [0,1,0,0,0,1|1,0,0]=3 3012 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 11a_100000750285_100015343762 [0,1,0,0,0,1|1,0,0]=3 3013 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 1626a_100000750285_100015343762 [0,1,0,0,0,1|1,0,0]=3 3014 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 22a_100000750285_100000070787 [0,1,0,0,0,1|1,0,0]=3 3015 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 527a_100000750285_100103153847 [0,1,0,0,0,1|1,0,0]=3 3016 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000070787_200011830453 [0,1,0,0,0,1|1,0,0]=3 3017 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 1458a_100000688043_200000210301 [0,1,0,0,0,1|1,0,0]=3 3018 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 34a_200000084595_200000210301 [0,1,0,0,0,1|1,0,0]=3 3019 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)C 7a_200000084595_200000210301 [0,1,0,0,0,1|1,0,0]=3 3020 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)[13CH3] 1458a_100000688043_200025704644 [0,1,0,0,0,1|1,0,0]=3 3021 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 11a_100000747055_100015343762 [0,1,0,0,0,1|1,0,0]=3 3022 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 1626a_100000747055_100015343762 [0,1,0,0,0,1|1,0,0]=3 3023 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 22a_100000747055_100000070787 [0,1,0,0,0,1|1,0,0]=3 3024 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 527a_100000747055_100103153847 [0,1,0,0,0,1|1,0,0]=3 3025 B13R1.653 COc1ccc(c(c1)F)C=C(C)C 271570a_100102525489_100000753793 [0,1,0,0,0,1|2,0,0]=4 3026 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000070787_100011260761 [0,1,0,0,0,1|1,0,0]=3 3027 B13R1.653 COc1ccc(c(c1)F)CC(=O)C 1458a_100000709196_200000210301 [0,1,0,0,0,1|1,0,0]=3 3028 B13R1.653 COc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000709196_200025704644 [0,1,0,0,0,1|1,0,0]=3 3029 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 11a_100011299463_100015343762 [0,1,0,0,0,1|1,0,0]=3 3030 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 1626a_100011299463_100015343762 [0,1,0,0,0,1|1,0,0]=3 3031 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 22a_100011299463_100000070787 [0,1,0,0,0,1|1,0,0]=3 3032 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 527a_100011299463_100103153847 [0,1,0,0,0,1|1,0,0]=3 3033 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 11a_100000049804_100015343762 [0,1,0,0,0,1|1,0,0]=3 3034 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 1626a_100000049804_100015343762 [0,1,0,0,0,1|1,0,0]=3 3035 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 22a_100000049804_100000070787 [0,1,0,0,0,1|1,0,0]=3 3036 B13R1.653 COc1ccc(c(c1)I)NC(=O)C 527a_100000049804_100103153847 [0,1,0,0,0,1|1,0,0]=3 3037 B13R1.653 COc1ccc(c(c1)N)C=C(C)C 271570a_100102525489_100000748021 [0,1,0,0,0,1|2,0,0]=4 3038 B13R1.653 COc1ccc(c(c1)O)C=C(C)C 271570a_100102525489_100000719091 [0,1,0,0,0,1|2,0,0]=4 3039 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 22a_100016989039_100000070787 [0,1,0,0,0,1|1,0,0]=3 3040 B13R1.653 COc1ccc(c(c1)O)NC(=O)C 527a_100016989039_100103153847 [0,1,0,0,0,1|1,0,0]=3 3041 B13R1.653 CSc1ccc(c(c1)C)NC(=O)C 62a_200000210301_100000152120 [0,1,0,0,0,1|1,1,0]=4 3042 B13R1.653 CSc1ccc(c(c1)Cl)NC(=O)C 62a_200000210301_100011273303 [0,1,0,0,0,1|1,1,0]=4 3043 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 11a_100012056844_100015343762 [0,1,0,0,0,1|1,1,0]=4 3044 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 1626a_100012056844_100015343762 [0,1,0,0,0,1|1,1,0]=4 3045 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 22a_100012056844_100000070787 [0,1,0,0,0,1|1,1,0]=4 3046 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 527a_100012056844_100103153847 [0,1,0,0,0,1|1,1,0]=4 3047 B13R1.653 CSc1ccc(c(c1)F)NC(=O)C 62a_200000210301_100000155584 [0,1,0,0,0,1|1,1,0]=4 3048 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_100009811628_200000210301 [0,1,0,0,0,1|1,1,0]=4 3049 B13R1.653 CSc1ccc(c(c1)F)OC(=O)C 62a_200000210301_100009811628 [0,1,0,0,0,1|1,1,0]=4 3050 B13R1.39 CCC(=NO)c1ccc(cc1)OC 34a_100000740173_200000210301 [0,2,0,0,0,0|1,0,0]=3 3051 B13R1.39 CCC(=NO)c1ccc(cc1)O[13CH3] 34a_100000740173_200025704644 [0,2,0,0,0,0|1,0,0]=3 3052 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|1,0,1]=4 3053 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|1,0,1]=4 3054 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|1,0,1]=4 3055 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|1,0,1]=4 3056 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,2,0,0,0,0|1,0,1]=4 3057 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|1,0,1]=4 3058 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 3059 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 3060 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 3061 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 3062 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|1,0,1]=4 3063 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|1,0,1]=4 3064 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,2,0,0,0,0|1,0,1]=4 3065 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|1,0,1]=4 3066 B13R1.95 C=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100011290941_100010247156 [0,2,0,0,0,0|1,0,1]=4 3067 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)OC 271570a_100011290941_100000747612 [0,2,0,0,0,0|1,0,1]=4 3068 B13R1.95 C=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100011290941_100000060724 [0,2,0,0,0,0|1,0,1]=4 3069 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)OC 271570a_100011290941_100000216654 [0,2,0,0,0,0|1,0,1]=4 3070 B13R1.95 C=Cc1ccc(c(c1)N)C(=O)OC 271570a_100011290941_100011373473 [0,2,0,0,0,0|1,0,1]=4 3071 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [0,2,0,0,0,0|1,0,1]=4 3072 B13R1.95 CCC(=O)c1ccc(cc1Br)OC 1458a_100000748873_100000210202 [0,2,0,0,0,0|1,0,0]=3 3073 B13R1.95 CCC(=O)c1ccc(cc1C)OC 1458a_100000763155_100000210202 [0,2,0,0,0,0|1,0,0]=3 3074 B13R1.95 CCC(=O)c1ccc(cc1C)SC 1458a_100012278374_100000210202 [0,2,0,0,0,0|1,1,0]=4 3075 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200000210301_200012361375 [0,2,0,0,0,0|1,1,0]=4 3076 B13R1.95 CCC(=O)c1ccc(cc1C)SC 62a_200012361375_200000210301 [0,2,0,0,0,0|1,1,0]=4 3077 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200012361375_200025704644 [0,2,0,0,0,0|1,1,0]=4 3078 B13R1.95 CCC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_200012361375 [0,2,0,0,0,0|1,1,0]=4 3079 B13R1.95 CCC(=O)c1ccc(cc1Cl)OC 1458a_100000753557_100000210202 [0,2,0,0,0,0|1,0,0]=3 3080 B13R1.95 CCC(=O)c1ccc(cc1F)CC 1458a_200009867912_100000210202 [0,2,0,0,0,0|2,0,0]=4 3081 B13R1.95 CCC(=O)c1ccc(cc1F)NC 27a_100102657272_100012360378 [0,2,0,0,0,0|2,0,0]=4 3082 B13R1.95 CCC(=O)c1ccc(cc1F)OC 1458a_100000198494_100000210202 [0,2,0,0,0,0|1,0,0]=3 3083 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_100012360378_200000210301 [0,2,0,0,0,0|1,1,0]=4 3084 B13R1.95 CCC(=O)c1ccc(cc1F)SC 62a_200000210301_100012360378 [0,2,0,0,0,0|1,1,0]=4 3085 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_100012360378_200025704644 [0,2,0,0,0,0|1,1,0]=4 3086 B13R1.95 CCC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100012360378 [0,2,0,0,0,0|1,1,0]=4 3087 B13R1.95 CCC(=O)c1ccc(cc1I)OC 1458a_100000688016_100000210202 [0,2,0,0,0,0|1,0,0]=3 3088 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [0,2,0,0,0,0|1,0,0]=3 3089 B13R1.95 CCc1ccc(c(c1)F)C(=O)CF 1458a_200009867912_100015361967 [0,2,0,0,0,0|2,0,0]=4 3090 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 11a_106832991635_200009867912 [0,2,0,0,0,0|2,0,0]=4 3091 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 1626a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 3092 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 240690a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 3093 B13R1.95 CCc1ccc(c(c1)F)C(=O)NC 527a_100102657272_200009867912 [0,2,0,0,0,0|2,0,0]=4 3094 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 11a_106832991635_100000748873 [0,2,0,0,0,0|1,0,0]=3 3095 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 1626a_100102657272_100000748873 [0,2,0,0,0,0|1,0,0]=3 3096 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 240690a_100102657272_100000748873 [0,2,0,0,0,0|1,0,0]=3 3097 B13R1.95 CNC(=O)c1ccc(cc1Br)OC 527a_100102657272_100000748873 [0,2,0,0,0,0|1,0,0]=3 3098 B13R1.95 CNC(=O)c1ccc(cc1C)OC 11a_106832991635_100000763155 [0,2,0,0,0,0|1,0,0]=3 3099 B13R1.95 CNC(=O)c1ccc(cc1C)OC 1626a_100102657272_100000763155 [0,2,0,0,0,0|1,0,0]=3 3100 B13R1.95 CNC(=O)c1ccc(cc1C)OC 240690a_100102657272_100000763155 [0,2,0,0,0,0|1,0,0]=3 3101 B13R1.95 CNC(=O)c1ccc(cc1C)OC 527a_100102657272_100000763155 [0,2,0,0,0,0|1,0,0]=3 3102 B13R1.95 CNC(=O)c1ccc(cc1C)SC 11a_106832991635_100012278374 [0,2,0,0,0,0|1,1,0]=4 3103 B13R1.95 CNC(=O)c1ccc(cc1C)SC 1626a_100102657272_100012278374 [0,2,0,0,0,0|1,1,0]=4 3104 B13R1.95 CNC(=O)c1ccc(cc1C)SC 240690a_100102657272_100012278374 [0,2,0,0,0,0|1,1,0]=4 3105 B13R1.95 CNC(=O)c1ccc(cc1C)SC 527a_100102657272_100012278374 [0,2,0,0,0,0|1,1,0]=4 3106 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 34a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 3107 B13R1.95 CNC(=O)c1ccc(cc1Cl)NC 7a_100000742945_200000210301 [0,2,0,0,0,0|2,0,0]=4 3108 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 34a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 3109 B13R1.95 CNC(=O)c1ccc(cc1Cl)N[13CH3] 7a_100000742945_200025704644 [0,2,0,0,0,0|2,0,0]=4 3110 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 11a_106832991635_100000753557 [0,2,0,0,0,0|1,0,0]=3 3111 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 1626a_100102657272_100000753557 [0,2,0,0,0,0|1,0,0]=3 3112 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 240690a_100102657272_100000753557 [0,2,0,0,0,0|1,0,0]=3 3113 B13R1.95 CNC(=O)c1ccc(cc1Cl)OC 527a_100102657272_100000753557 [0,2,0,0,0,0|1,0,0]=3 3114 B13R1.95 CNC(=O)c1ccc(cc1F)NC 27a_100102657272_100000233932 [0,2,0,0,0,0|2,0,0]=4 3115 B13R1.95 CNC(=O)c1ccc(cc1F)NC 34a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 3116 B13R1.95 CNC(=O)c1ccc(cc1F)NC 7a_100011533607_200000210301 [0,2,0,0,0,0|2,0,0]=4 3117 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 34a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 3118 B13R1.95 CNC(=O)c1ccc(cc1F)N[13CH3] 7a_100011533607_200025704644 [0,2,0,0,0,0|2,0,0]=4 3119 B13R1.95 CNC(=O)c1ccc(cc1F)OC 11a_106832991635_100000198494 [0,2,0,0,0,0|1,0,0]=3 3120 B13R1.95 CNC(=O)c1ccc(cc1F)OC 1626a_100102657272_100000198494 [0,2,0,0,0,0|1,0,0]=3 3121 B13R1.95 CNC(=O)c1ccc(cc1F)OC 240690a_100102657272_100000198494 [0,2,0,0,0,0|1,0,0]=3 3122 B13R1.95 CNC(=O)c1ccc(cc1F)OC 527a_100102657272_100000198494 [0,2,0,0,0,0|1,0,0]=3 3123 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_100000233932_200000210301 [0,2,0,0,0,0|1,1,0]=4 3124 B13R1.95 CNC(=O)c1ccc(cc1F)SC 62a_200000210301_100000233932 [0,2,0,0,0,0|1,1,0]=4 3125 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_100000233932_200025704644 [0,2,0,0,0,0|1,1,0]=4 3126 B13R1.95 CNC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000233932 [0,2,0,0,0,0|1,1,0]=4 3127 B13R1.95 CNC(=O)c1ccc(cc1I)OC 11a_106832991635_100000688016 [0,2,0,0,0,0|1,0,0]=3 3128 B13R1.95 CNC(=O)c1ccc(cc1I)OC 1626a_100102657272_100000688016 [0,2,0,0,0,0|1,0,0]=3 3129 B13R1.95 CNC(=O)c1ccc(cc1I)OC 240690a_100102657272_100000688016 [0,2,0,0,0,0|1,0,0]=3 3130 B13R1.95 CNC(=O)c1ccc(cc1I)OC 527a_100102657272_100000688016 [0,2,0,0,0,0|1,0,0]=3 3131 B13R1.95 CNC(=O)c1ccc(cc1O)NC 34a_100000223174_200000210301 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.95 CNC(=O)c1ccc(cc1O)N[13CH3] 34a_100000223174_200025704644 [0,2,0,0,0,0|2,0,0]=4 3133 B13R1.95 CNC(=O)c1ccc(cc1O)OC 11a_106832991635_100000212123 [0,2,0,0,0,0|1,0,0]=3 3134 B13R1.95 CNC(=O)c1ccc(cc1O)OC 240690a_100102657272_100000212123 [0,2,0,0,0,0|1,0,0]=3 3135 B13R1.95 CNC(=O)c1ccc(cc1O)OC 527a_100102657272_100000212123 [0,2,0,0,0,0|1,0,0]=3 3136 B13R1.95 CNc1cc(c(cn1)C(=O)OC)C 27a_100102657272_100009871181 [0,2,0,0,0,0|2,0,0]=4 3137 B13R1.95 CNc1ccc(c(n1)C)C(=O)OC 27a_100102657272_100000692007 [0,2,0,0,0,0|2,0,0]=4 3138 B13R1.95 COC(=O)c1ccc(cc1Br)OC 34a_100010150825_200000210301 [0,2,0,0,0,0|0,0,0]=2 3139 B13R1.95 COC(=O)c1ccc(cc1Br)OC 7a_100010150825_200000210301 [0,2,0,0,0,0|0,0,0]=2 3140 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 34a_100010150825_200025704644 [0,2,0,0,0,0|0,0,0]=2 3141 B13R1.95 COC(=O)c1ccc(cc1Br)O[13CH3] 7a_100010150825_200025704644 [0,2,0,0,0,0|0,0,0]=2 3142 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_100010247156_200000210301 [0,2,0,0,0,0|0,1,0]=3 3143 B13R1.95 COC(=O)c1ccc(cc1Br)SC 62a_200000210301_100010247156 [0,2,0,0,0,0|0,1,0]=3 3144 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_100010247156_200025704644 [0,2,0,0,0,0|0,1,0]=3 3145 B13R1.95 COC(=O)c1ccc(cc1Br)S[13CH3] 62a_200025704644_100010247156 [0,2,0,0,0,0|0,1,0]=3 3146 B13R1.95 COC(=O)c1ccc(cc1C)OC 34a_100012000157_200000210301 [0,2,0,0,0,0|0,0,0]=2 3147 B13R1.95 COC(=O)c1ccc(cc1C)OC 7a_100012000157_200000210301 [0,2,0,0,0,0|0,0,0]=2 3148 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 34a_100012000157_200025704644 [0,2,0,0,0,0|0,0,0]=2 3149 B13R1.95 COC(=O)c1ccc(cc1C)O[13CH3] 7a_100012000157_200025704644 [0,2,0,0,0,0|0,0,0]=2 3150 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_100000747612_200000210301 [0,2,0,0,0,0|0,1,0]=3 3151 B13R1.95 COC(=O)c1ccc(cc1C)SC 62a_200000210301_100000747612 [0,2,0,0,0,0|0,1,0]=3 3152 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_100000747612_200025704644 [0,2,0,0,0,0|0,1,0]=3 3153 B13R1.95 COC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100000747612 [0,2,0,0,0,0|0,1,0]=3 3154 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 34a_100000081488_200000210301 [0,2,0,0,0,0|0,0,0]=2 3155 B13R1.95 COC(=O)c1ccc(cc1Cl)OC 7a_100000081488_200000210301 [0,2,0,0,0,0|0,0,0]=2 3156 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100000081488_200025704644 [0,2,0,0,0,0|0,0,0]=2 3157 B13R1.95 COC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100000081488_200025704644 [0,2,0,0,0,0|0,0,0]=2 3158 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_100000060724_200000210301 [0,2,0,0,0,0|0,1,0]=3 3159 B13R1.95 COC(=O)c1ccc(cc1Cl)SC 62a_200000210301_100000060724 [0,2,0,0,0,0|0,1,0]=3 3160 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_100000060724_200025704644 [0,2,0,0,0,0|0,1,0]=3 3161 B13R1.95 COC(=O)c1ccc(cc1Cl)S[13CH3] 62a_200025704644_100000060724 [0,2,0,0,0,0|0,1,0]=3 3162 B13R1.95 COC(=O)c1ccc(cc1F)OC 34a_100011999631_200000210301 [0,2,0,0,0,0|0,0,0]=2 3163 B13R1.95 COC(=O)c1ccc(cc1F)OC 7a_100011999631_200000210301 [0,2,0,0,0,0|0,0,0]=2 3164 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 34a_100011999631_200025704644 [0,2,0,0,0,0|0,0,0]=2 3165 B13R1.95 COC(=O)c1ccc(cc1F)O[13CH3] 7a_100011999631_200025704644 [0,2,0,0,0,0|0,0,0]=2 3166 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_100000216654_200000210301 [0,2,0,0,0,0|0,1,0]=3 3167 B13R1.95 COC(=O)c1ccc(cc1F)SC 62a_200000210301_100000216654 [0,2,0,0,0,0|0,1,0]=3 3168 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_100000216654_200025704644 [0,2,0,0,0,0|0,1,0]=3 3169 B13R1.95 COC(=O)c1ccc(cc1F)S[13CH3] 62a_200025704644_100000216654 [0,2,0,0,0,0|0,1,0]=3 3170 B13R1.95 COC(=O)c1ccc(cc1N)OC 34a_100000701581_200000210301 [0,2,0,0,0,0|0,0,0]=2 3171 B13R1.95 COC(=O)c1ccc(cc1N)OC 7a_100000701581_200000210301 [0,2,0,0,0,0|0,0,0]=2 3172 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 34a_100000701581_200025704644 [0,2,0,0,0,0|0,0,0]=2 3173 B13R1.95 COC(=O)c1ccc(cc1N)O[13CH3] 7a_100000701581_200025704644 [0,2,0,0,0,0|0,0,0]=2 3174 B13R1.95 COC(=O)c1ccc(cc1N)SC 62a_100011373473_200000210301 [0,2,0,0,0,0|0,1,0]=3 3175 B13R1.95 COC(=O)c1ccc(cc1N)S[13CH3] 62a_100011373473_200025704644 [0,2,0,0,0,0|0,1,0]=3 3176 B13R1.95 COC(=O)c1ccc(cc1O)C#N 271570a_203496583355_100009832033 [0,2,0,0,0,0|2,0,0]=4 3177 B13R1.95 COC(=O)c1ccc(cc1O)C=O 271570a_203496583355_100010630601 [0,2,0,0,0,0|2,0,0]=4 3178 B13R1.95 COC(=O)c1ccc(cc1O)OC 271570a_203496583355_100009815674 [0,2,0,0,0,0|0,0,0]=2 3179 B13R1.95 COC(=O)c1ccc(cc1O)SC 62a_200000210301_100000062286 [0,2,0,0,0,0|0,1,0]=3 3180 B13R1.95 COC(=O)c1ccc(cc1O)S[13CH3] 62a_200025704644_100000062286 [0,2,0,0,0,0|0,1,0]=3 3181 B13R1.95 COC(=O)c1ccc(nc1C)SC 62a_100000692007_200000210301 [0,2,0,0,0,0|1,1,0]=4 3182 B13R1.95 COC(=O)c1ccc(nc1C)SC 62a_200000210301_100000692007 [0,2,0,0,0,0|1,1,0]=4 3183 B13R1.95 COC(=O)c1ccc(nc1C)S[13CH3] 62a_100000692007_200025704644 [0,2,0,0,0,0|1,1,0]=4 3184 B13R1.95 COC(=O)c1ccc(nc1C)S[13CH3] 62a_200025704644_100000692007 [0,2,0,0,0,0|1,1,0]=4 3185 B13R1.95 COC(=O)c1ccc(nc1F)SC 62a_100010189635_200000210301 [0,2,0,0,0,0|1,1,0]=4 3186 B13R1.95 COC(=O)c1ccc(nc1F)SC 62a_200000210301_100010189635 [0,2,0,0,0,0|1,1,0]=4 3187 B13R1.95 COC(=O)c1ccc(nc1F)S[13CH3] 62a_100010189635_200025704644 [0,2,0,0,0,0|1,1,0]=4 3188 B13R1.95 COC(=O)c1ccc(nc1F)S[13CH3] 62a_200025704644_100010189635 [0,2,0,0,0,0|1,1,0]=4 3189 B13R1.95 COC(=O)c1ccc(nc1N)SC 62a_100000142702_200000210301 [0,2,0,0,0,0|1,1,0]=4 3190 B13R1.95 COC(=O)c1ccc(nc1N)S[13CH3] 62a_100000142702_200025704644 [0,2,0,0,0,0|1,1,0]=4 3191 B13R1.95 COC(=O)c1ccc(nc1O)OC 271570a_203496583355_100010136187 [0,2,0,0,0,0|1,0,0]=3 3192 B13R1.95 COC(=O)c1cnc(cc1C)SC 62a_100009871181_200000210301 [0,2,0,0,0,0|1,1,0]=4 3193 B13R1.95 COC(=O)c1cnc(cc1C)SC 62a_200000210301_100009871181 [0,2,0,0,0,0|1,1,0]=4 3194 B13R1.95 COC(=O)c1cnc(cc1C)S[13CH3] 62a_100009871181_200025704644 [0,2,0,0,0,0|1,1,0]=4 3195 B13R1.95 COC(=O)c1cnc(cc1C)S[13CH3] 62a_200025704644_100009871181 [0,2,0,0,0,0|1,1,0]=4 3196 B13R1.95 COC(=O)c1cnc(cc1N)SC 62a_100009862510_200000210301 [0,2,0,0,0,0|1,1,0]=4 3197 B13R1.95 COC(=O)c1cnc(cc1N)SC 62a_200000210301_100009862510 [0,2,0,0,0,0|1,1,0]=4 3198 B13R1.95 COC(=O)c1cnc(cc1N)S[13CH3] 62a_100009862510_200025704644 [0,2,0,0,0,0|1,1,0]=4 3199 B13R1.95 COC(=O)c1cnc(cc1N)S[13CH3] 62a_200025704644_100009862510 [0,2,0,0,0,0|1,1,0]=4 3200 B13R1.95 COC(=O)c1cnc(cc1O)OC 271570a_203496583355_100010136350 [0,2,0,0,0,0|1,0,0]=3 3201 B13R1.95 COC(=O)c1ncc(cc1C)SC 62a_100010178714_200000210301 [0,2,0,0,0,0|1,1,0]=4 3202 B13R1.95 COC(=O)c1ncc(cc1C)SC 62a_200000210301_100010178714 [0,2,0,0,0,0|1,1,0]=4 3203 B13R1.95 COC(=O)c1ncc(cc1C)S[13CH3] 62a_100010178714_200025704644 [0,2,0,0,0,0|1,1,0]=4 3204 B13R1.95 COC(=O)c1ncc(cc1C)S[13CH3] 62a_200025704644_100010178714 [0,2,0,0,0,0|1,1,0]=4 3205 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 34a_100009855505_200000210301 [0,2,0,0,0,0|1,0,0]=3 3206 B13R1.95 COC(=O)c1ncc(cc1Cl)OC 7a_100009855505_200000210301 [0,2,0,0,0,0|1,0,0]=3 3207 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 34a_100009855505_200025704644 [0,2,0,0,0,0|1,0,0]=3 3208 B13R1.95 COC(=O)c1ncc(cc1Cl)O[13CH3] 7a_100009855505_200025704644 [0,2,0,0,0,0|1,0,0]=3 3209 B13R1.95 COC(=O)c1ncc(cc1F)SC 62a_100000695675_200000210301 [0,2,0,0,0,0|1,1,0]=4 3210 B13R1.95 COC(=O)c1ncc(cc1F)SC 62a_200000210301_100000695675 [0,2,0,0,0,0|1,1,0]=4 3211 B13R1.95 COC(=O)c1ncc(cc1F)S[13CH3] 62a_100000695675_200025704644 [0,2,0,0,0,0|1,1,0]=4 3212 B13R1.95 COC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000695675 [0,2,0,0,0,0|1,1,0]=4 3213 B13R1.95 COC(=O)c1ncc(cc1N)SC 62a_100010090751_200000210301 [0,2,0,0,0,0|1,1,0]=4 3214 B13R1.95 COC(=O)c1ncc(cc1N)SC 62a_200000210301_100010090751 [0,2,0,0,0,0|1,1,0]=4 3215 B13R1.95 COC(=O)c1ncc(cc1N)S[13CH3] 62a_100010090751_200025704644 [0,2,0,0,0,0|1,1,0]=4 3216 B13R1.95 COC(=O)c1ncc(cc1N)S[13CH3] 62a_200025704644_100010090751 [0,2,0,0,0,0|1,1,0]=4 3217 B13R1.95 COC(=O)c1ncc(cc1O)SC 62a_200000210301_100010071521 [0,2,0,0,0,0|1,1,0]=4 3218 B13R1.95 COC(=O)c1ncc(cc1O)S[13CH3] 62a_200025704644_100010071521 [0,2,0,0,0,0|1,1,0]=4 3219 B13R1.95 COc1ccc(c(c1)Br)C(=O)CF 1458a_100000748873_100015361967 [0,2,0,0,0,0|1,0,0]=3 3220 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,2,0,0,0,0|1,0,1]=4 3221 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,2,0,0,0,0|1,0,1]=4 3222 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,2,0,0,0,0|1,0,1]=4 3223 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,2,0,0,0,0|1,0,1]=4 3224 B13R1.95 COc1ccc(c(c1)C)C(=O)CF 1458a_100000763155_100015361967 [0,2,0,0,0,0|1,0,0]=3 3225 B13R1.95 COc1ccc(c(c1)Cl)C(=O)CF 1458a_100000753557_100015361967 [0,2,0,0,0,0|1,0,0]=3 3226 B13R1.95 COc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200000210301 [0,2,0,0,0,0|1,0,0]=3 3227 B13R1.95 COc1ccc(c(c1)F)C(=O)CF 1458a_100000198494_100015361967 [0,2,0,0,0,0|1,0,0]=3 3228 B13R1.95 COc1ccc(c(c1)I)C(=O)CF 1458a_100000688016_100015361967 [0,2,0,0,0,0|1,0,0]=3 3229 B13R1.95 COc1ccc(c(c1)O)C(=O)CF 1458a_100000212123_100015361967 [0,2,0,0,0,0|1,0,0]=3 3230 B13R1.95 CSc1ccc(c(c1)C)C(=O)CF 1458a_100012278374_100015361967 [0,2,0,0,0,0|1,1,0]=4 3231 B13R1.95 [13CH3]Oc1ccc(c(c1)F)C(=NO)N 34a_200015222041_200025704644 [0,2,0,0,0,0|1,0,0]=3 3232 B13R1.139 C=C=Cc1ccc(cc1)C(=O)CO 271570a_100015277604_100011219529 [0,2,0,0,0,0|1,0,1]=4 3233 B13R1.139 C=C=Cc1ccc(cc1)C(=O)OC 271570a_100015277604_100000150774 [0,2,0,0,0,0|1,0,1]=4 3234 B13R1.139 CC#Cc1ccc(cc1)C(=O)CC 1458a_100009923575_100000210202 [0,2,0,0,0,0|2,0,0]=4 3235 B13R1.139 CC#Cc1ccc(cc1)C(=O)CF 1458a_100009923575_100015361967 [0,2,0,0,0,0|2,0,0]=4 3236 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 11a_106832991635_100009923575 [0,2,0,0,0,0|2,0,0]=4 3237 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 1626a_100102657272_100009923575 [0,2,0,0,0,0|2,0,0]=4 3238 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 240690a_100102657272_100009923575 [0,2,0,0,0,0|2,0,0]=4 3239 B13R1.139 CC#Cc1ccc(cc1)C(=O)NC 527a_100102657272_100009923575 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.139 CC(=NO)c1ccc(cc1)OCF 34a_100000164205_100015361967 [0,2,0,0,0,0|1,0,0]=3 3241 B13R1.139 CC=Cc1ccc(cc1)C(=O)C#N 271570a_100016259895_100009994572 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.139 CC=Cc1ccc(cc1)C(=O)C=O 271570a_100016259895_100000725942 [0,2,0,0,0,0|1,0,1]=4 3243 B13R1.139 CC=Cc1ccc(cc1)C(=O)CC 271570a_100016259895_100000211647 [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.139 CC=Cc1ccc(cc1)C(=O)CN 271570a_100016259895_100000017248 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.139 CC=Cc1ccc(cc1)C(=O)CO 271570a_100016259895_100011219529 [0,2,0,0,0,0|1,0,0]=3 3246 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC 271570a_100016259895_100000155074 [0,2,0,0,0,0|2,0,0]=4 3247 B13R1.139 CC=Cc1ccc(cc1)C(=O)NN 271570a_100016259895_100000183614 [0,2,0,0,0,0|2,0,0]=4 3248 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [0,2,0,0,0,0|1,0,0]=3 3249 B13R1.139 CC=Cc1ccc(cn1)C(=O)OC 271570a_100016259895_100000733799 [0,2,0,0,0,0|2,0,0]=4 3250 B13R1.139 CC=Cc1ccc(nc1)C(=O)OC 271570a_100016259895_100000690920 [0,2,0,0,0,0|2,0,0]=4 3251 B13R1.139 CCC(=O)c1ccc(cc1)CCO 1458a_100000078963_100000210202 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.139 CCC(=O)c1ccc(cc1)CNC 26a_100102657272_100000212119 [0,2,0,0,0,0|2,0,0]=4 3253 B13R1.139 CCC(=O)c1ccc(cc1)COC 1458a_100000189608_100000210202 [0,2,0,0,0,0|1,0,0]=3 3254 B13R1.139 CCC(=O)c1ccc(cc1)CSC 1458a_100000175442_100000210202 [0,2,0,0,0,0|1,1,0]=4 3255 B13R1.139 CCC(=O)c1ccc(cc1)OCF 34a_100000212119_100015361967 [0,2,0,0,0,0|1,0,0]=3 3256 B13R1.139 CCC(=O)c1ccc(cc1)OCF 7a_100000212119_100015361967 [0,2,0,0,0,0|1,0,0]=3 3257 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100000211647_100015361967 [0,2,0,0,0,0|1,1,0]=4 3258 B13R1.139 CCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000211647 [0,2,0,0,0,0|1,1,0]=4 3259 B13R1.139 CCCc1ccc(cc1)C(=O)CC 1458a_100011207308_100000210202 [0,2,0,0,0,0|2,0,0]=4 3260 B13R1.139 CCCc1ccc(cc1)C(=O)CF 1458a_100011207308_100015361967 [0,2,0,0,0,0|2,0,0]=4 3261 B13R1.139 CCCc1ccc(cc1)C(=O)NC 11a_106832991635_100011207308 [0,2,0,0,0,0|2,0,0]=4 3262 B13R1.139 CCCc1ccc(cc1)C(=O)NC 1626a_100102657272_100011207308 [0,2,0,0,0,0|2,0,0]=4 3263 B13R1.139 CCCc1ccc(cc1)C(=O)NC 240690a_100102657272_100011207308 [0,2,0,0,0,0|2,0,0]=4 3264 B13R1.139 CCCc1ccc(cc1)C(=O)NC 527a_100102657272_100011207308 [0,2,0,0,0,0|2,0,0]=4 3265 B13R1.139 CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210202 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.139 CCNc1ccc(cc1)C(=O)NC 27a_100015525214_100000155074 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.139 CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000210202 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.139 CCNc1ccc(cc1)C(=O)NN 27a_100015525214_100000183614 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.139 CCNc1ccc(cn1)C(=O)OC 27a_100015525214_100000733799 [0,2,0,0,0,0|2,0,0]=4 3270 B13R1.139 CCOc1ccc(cc1)C(=NO)C 34a_100000164205_100000210202 [0,2,0,0,0,0|1,0,0]=3 3271 B13R1.139 CCOc1ccc(cc1)C(=NO)N 34a_100000231063_100000210202 [0,2,0,0,0,0|1,0,0]=3 3272 B13R1.139 CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210202 [0,2,0,0,0,0|1,0,0]=3 3273 B13R1.139 CCOc1ccc(cc1)C(=O)CC 1458a_100000181891_100000210202 [0,2,0,0,0,0|1,0,0]=3 3274 B13R1.139 CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210202 [0,2,0,0,0,0|1,0,0]=3 3275 B13R1.139 CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210202 [0,2,0,0,0,0|1,0,0]=3 3276 B13R1.139 CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210202 [0,2,0,0,0,0|1,0,0]=3 3277 B13R1.139 CCOc1ccc(cc1)C(=O)CF 1458a_100000181891_100015361967 [0,2,0,0,0,0|1,0,0]=3 3278 B13R1.139 CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210202 [0,2,0,0,0,0|1,0,0]=3 3279 B13R1.139 CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210202 [0,2,0,0,0,0|1,0,0]=3 3280 B13R1.139 CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000181891 [0,2,0,0,0,0|1,0,0]=3 3281 B13R1.139 CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000181891 [0,2,0,0,0,0|1,0,0]=3 3282 B13R1.139 CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000181891 [0,2,0,0,0,0|1,0,0]=3 3283 B13R1.139 CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210202 [0,2,0,0,0,0|1,0,0]=3 3284 B13R1.139 CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000181891 [0,2,0,0,0,0|1,0,0]=3 3285 B13R1.139 CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210202 [0,2,0,0,0,0|1,0,0]=3 3286 B13R1.139 CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210202 [0,2,0,0,0,0|1,0,0]=3 3287 B13R1.139 CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210202 [0,2,0,0,0,0|0,0,0]=2 3288 B13R1.139 CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210202 [0,2,0,0,0,0|0,0,0]=2 3289 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [0,2,0,0,0,0|1,0,1]=4 3290 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [0,2,0,0,0,0|1,0,1]=4 3291 B13R1.139 CCOc1ccc(cc1)C(O)CN 34a_100000067596_100000210202 [0,2,0,0,0,0|1,0,1]=4 3292 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [0,2,0,0,0,0|1,0,1]=4 3293 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [0,2,0,0,0,0|1,0,1]=4 3294 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [0,2,0,0,0,0|1,0,1]=4 3295 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [0,2,0,0,0,0|1,0,1]=4 3296 B13R1.139 CCOc1ccc(nc1)C(=O)NC 34a_100009861314_100000210202 [0,2,0,0,0,0|2,0,0]=4 3297 B13R1.139 CCOc1ccc(nc1)C(=O)NC 7a_100009861314_100000210202 [0,2,0,0,0,0|2,0,0]=4 3298 B13R1.139 CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000210202 [0,2,0,0,0,0|1,0,0]=3 3299 B13R1.139 CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000210202 [0,2,0,0,0,0|1,0,0]=3 3300 B13R1.139 CCSc1ccc(cc1)C(=O)C#N 62a_100000210202_100009994572 [0,2,0,0,0,0|1,1,0]=4 3301 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000210202_100000725942 [0,2,0,0,0,0|0,1,1]=4 3302 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000725942_100000210202 [0,2,0,0,0,0|0,1,1]=4 3303 B13R1.139 CCSc1ccc(cc1)C(=O)CC 1458a_100000244969_100000210202 [0,2,0,0,0,0|1,1,0]=4 3304 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000210202_100000211647 [0,2,0,0,0,0|1,1,0]=4 3305 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210202 [0,2,0,0,0,0|1,1,0]=4 3306 B13R1.139 CCSc1ccc(cc1)C(=O)CF 1458a_100000244969_100015361967 [0,2,0,0,0,0|1,1,0]=4 3307 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000017248_100000210202 [0,2,0,0,0,0|1,1,0]=4 3308 B13R1.139 CCSc1ccc(cc1)C(=O)CN 62a_100000210202_100000017248 [0,2,0,0,0,0|1,1,0]=4 3309 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100000210202_100011219529 [0,2,0,0,0,0|0,1,0]=3 3310 B13R1.139 CCSc1ccc(cc1)C(=O)CO 62a_100011219529_100000210202 [0,2,0,0,0,0|0,1,0]=3 3311 B13R1.139 CCSc1ccc(cc1)C(=O)NC 11a_106832991635_100000244969 [0,2,0,0,0,0|1,1,0]=4 3312 B13R1.139 CCSc1ccc(cc1)C(=O)NC 1626a_100102657272_100000244969 [0,2,0,0,0,0|1,1,0]=4 3313 B13R1.139 CCSc1ccc(cc1)C(=O)NC 240690a_100102657272_100000244969 [0,2,0,0,0,0|1,1,0]=4 3314 B13R1.139 CCSc1ccc(cc1)C(=O)NC 527a_100102657272_100000244969 [0,2,0,0,0,0|1,1,0]=4 3315 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210202 [0,2,0,0,0,0|1,1,0]=4 3316 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000210202_100000155074 [0,2,0,0,0,0|1,1,0]=4 3317 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000183614_100000210202 [0,2,0,0,0,0|1,1,0]=4 3318 B13R1.139 CCSc1ccc(cc1)C(=O)NN 62a_100000210202_100000183614 [0,2,0,0,0,0|1,1,0]=4 3319 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210202 [0,2,0,0,0,0|0,1,0]=3 3320 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000210202_100000150774 [0,2,0,0,0,0|0,1,0]=3 3321 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000210202_100000733799 [0,2,0,0,0,0|1,1,0]=4 3322 B13R1.139 CCSc1ccc(cn1)C(=O)OC 62a_100000733799_100000210202 [0,2,0,0,0,0|1,1,0]=4 3323 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100000210202_100102712061 [0,2,0,0,0,0|1,1,0]=4 3324 B13R1.139 CCSc1ccc(nc1)C(=O)OC 62a_100102712061_100000210202 [0,2,0,0,0,0|1,1,0]=4 3325 B13R1.139 CNC(=O)c1ccc(cc1)CCO 1626a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 3326 B13R1.139 CNC(=O)c1ccc(cc1)CCO 240690a_100102657272_100000078963 [0,2,0,0,0,0|2,0,0]=4 3327 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 2230a_100000743749_200025704644 [0,2,0,0,0,0|2,0,0]=4 3328 B13R1.139 CNC(=O)c1ccc(cc1)CN[13CH3] 34a_100000743749_200025704644 [0,2,0,0,0,0|2,0,0]=4 3329 B13R1.139 CNC(=O)c1ccc(cc1)COC 11a_106832991635_100000189608 [0,2,0,0,0,0|1,0,0]=3 3330 B13R1.139 CNC(=O)c1ccc(cc1)COC 1626a_100102657272_100000189608 [0,2,0,0,0,0|1,0,0]=3 3331 B13R1.139 CNC(=O)c1ccc(cc1)COC 240690a_100102657272_100000189608 [0,2,0,0,0,0|1,0,0]=3 3332 B13R1.139 CNC(=O)c1ccc(cc1)COC 34a_100138415774_100000753832 [0,2,0,0,0,0|1,0,0]=3 3333 B13R1.139 CNC(=O)c1ccc(cc1)COC 527a_100102657272_100000189608 [0,2,0,0,0,0|1,0,0]=3 3334 B13R1.139 CNC(=O)c1ccc(cc1)CSC 11a_106832991635_100000175442 [0,2,0,0,0,0|1,1,0]=4 3335 B13R1.139 CNC(=O)c1ccc(cc1)CSC 1626a_100102657272_100000175442 [0,2,0,0,0,0|1,1,0]=4 3336 B13R1.139 CNC(=O)c1ccc(cc1)CSC 240690a_100102657272_100000175442 [0,2,0,0,0,0|1,1,0]=4 3337 B13R1.139 CNC(=O)c1ccc(cc1)CSC 527a_100102657272_100000175442 [0,2,0,0,0,0|1,1,0]=4 3338 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_100000753832_200000210301 [0,2,0,0,0,0|1,1,0]=4 3339 B13R1.139 CNC(=O)c1ccc(cc1)CSC 62a_200000210301_100000753832 [0,2,0,0,0,0|1,1,0]=4 3340 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_100000753832_200025704644 [0,2,0,0,0,0|1,1,0]=4 3341 B13R1.139 CNC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000753832 [0,2,0,0,0,0|1,1,0]=4 3342 B13R1.139 CNC(=O)c1ccc(cc1)NCF 34a_100000184841_100015361967 [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.139 CNC(=O)c1ccc(cc1)OCF 34a_100000192141_100015361967 [0,2,0,0,0,0|1,0,0]=3 3344 B13R1.139 CNC(=O)c1ccc(cc1)OCF 7a_100000192141_100015361967 [0,2,0,0,0,0|1,0,0]=3 3345 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100000155074_100015361967 [0,2,0,0,0,0|1,1,0]=4 3346 B13R1.139 CNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000155074 [0,2,0,0,0,0|1,1,0]=4 3347 B13R1.139 CNC(=O)c1ccc(cn1)OCF 34a_100009861314_100015361967 [0,2,0,0,0,0|2,0,0]=4 3348 B13R1.139 CNC(=O)c1ccc(cn1)OCF 7a_100009861314_100015361967 [0,2,0,0,0,0|2,0,0]=4 3349 B13R1.139 CNCc1ccc(cc1)C(=O)CBr 26a_100102657272_100009814261 [0,2,0,0,0,0|2,0,0]=4 3350 B13R1.139 CNCc1ccc(cc1)C(=O)CCl 26a_100102657272_100000018856 [0,2,0,0,0,0|2,0,0]=4 3351 B13R1.139 CNCc1ccc(cc1)C(=O)CF 26a_100102657272_200010654591 [0,2,0,0,0,0|2,0,0]=4 3352 B13R1.139 CNCc1ccc(cc1)C(=O)NC 207a_100102657272_100000043907 [0,2,0,0,0,0|2,0,0]=4 3353 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_100000743749_200000210301 [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.139 CNCc1ccc(cc1)C(=O)NC 2230a_106832991635_100000753832 [0,2,0,0,0,0|2,0,0]=4 3355 B13R1.139 CNCc1ccc(cc1)C(=O)NC 270004a_106832991635_100000043907 [0,2,0,0,0,0|2,0,0]=4 3356 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100000743749_200000210301 [0,2,0,0,0,0|2,0,0]=4 3357 B13R1.139 CNCc1ccc(cc1)C(=O)NC 34a_100102657272_100000753832 [0,2,0,0,0,0|2,0,0]=4 3358 B13R1.139 CNCc1ccc(cc1)C(=O)NC 7a_106832991635_100000753832 [0,2,0,0,0,0|2,0,0]=4 3359 B13R1.139 CNCc1ccc(cc1)C(=O)OC 2230a_106832991635_100000735637 [0,2,0,0,0,0|1,0,0]=3 3360 B13R1.139 CNCc1ccc(cc1)C(=O)OC 26a_100102657272_100000150123 [0,2,0,0,0,0|1,0,0]=3 3361 B13R1.139 CNCc1ccc(cc1)C(=O)OC 270004a_106832991635_100000148700 [0,2,0,0,0,0|1,0,0]=3 3362 B13R1.139 CNCc1ccc(cc1)C(=O)OC 34a_100102657272_100000735637 [0,2,0,0,0,0|1,0,0]=3 3363 B13R1.139 CNCc1ccc(cc1)C(=O)OC 7a_106832991635_100000735637 [0,2,0,0,0,0|1,0,0]=3 3364 B13R1.139 CNCc1ccc(cn1)C(=O)OC 2230a_106832991635_100000063545 [0,2,0,0,0,0|2,0,0]=4 3365 B13R1.139 CNCc1ccc(cn1)C(=O)OC 270004a_106832991635_100000762506 [0,2,0,0,0,0|2,0,0]=4 3366 B13R1.139 CNCc1ccc(cn1)C(=O)OC 34a_100102657272_100010230174 [0,2,0,0,0,0|2,0,0]=4 3367 B13R1.139 CNCc1ccc(cn1)C(=O)OC 7a_106832991635_100000063545 [0,2,0,0,0,0|2,0,0]=4 3368 B13R1.139 CNCc1ccc(nc1)C(=O)OC 2230a_106832991635_100010177729 [0,2,0,0,0,0|2,0,0]=4 3369 B13R1.139 CNCc1ccc(nc1)C(=O)OC 270004a_106832991635_102516457225 [0,2,0,0,0,0|2,0,0]=4 3370 B13R1.139 CNCc1ccc(nc1)C(=O)OC 34a_100102657272_100010177729 [0,2,0,0,0,0|2,0,0]=4 3371 B13R1.139 CNCc1ccc(nc1)C(=O)OC 7a_106832991635_100010177729 [0,2,0,0,0,0|2,0,0]=4 3372 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 34a_100000151488_200025704644 [0,2,0,0,0,0|0,0,0]=2 3373 B13R1.139 COC(=O)c1ccc(cc1)CO[13CH3] 7a_100000151488_200025704644 [0,2,0,0,0,0|0,0,0]=2 3374 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_100000735637_200000210301 [0,2,0,0,0,0|0,1,0]=3 3375 B13R1.139 COC(=O)c1ccc(cc1)CSC 62a_200000210301_100000187170 [0,2,0,0,0,0|0,1,0]=3 3376 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_100000735637_200025704644 [0,2,0,0,0,0|0,1,0]=3 3377 B13R1.139 COC(=O)c1ccc(cc1)CS[13CH3] 62a_200025704644_100000187170 [0,2,0,0,0,0|0,1,0]=3 3378 B13R1.139 COC(=O)c1ccc(cc1)OCF 34a_100000150123_100015361967 [0,2,0,0,0,0|0,0,0]=2 3379 B13R1.139 COC(=O)c1ccc(cc1)OCF 7a_100000150123_100015361967 [0,2,0,0,0,0|0,0,0]=2 3380 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100000150774_100015361967 [0,2,0,0,0,0|0,1,0]=3 3381 B13R1.139 COC(=O)c1ccc(cc1)SCF 62a_100015361967_100000150774 [0,2,0,0,0,0|0,1,0]=3 3382 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 34a_100009873365_200025704644 [0,2,0,0,0,0|1,0,0]=3 3383 B13R1.139 COC(=O)c1ccc(cn1)CO[13CH3] 7a_100009873365_200025704644 [0,2,0,0,0,0|1,0,0]=3 3384 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_100010177729_200000210301 [0,2,0,0,0,0|1,1,0]=4 3385 B13R1.139 COC(=O)c1ccc(cn1)CSC 62a_200000210301_100010177729 [0,2,0,0,0,0|1,1,0]=4 3386 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_100010177729_200025704644 [0,2,0,0,0,0|1,1,0]=4 3387 B13R1.139 COC(=O)c1ccc(cn1)CS[13CH3] 62a_200025704644_100010177729 [0,2,0,0,0,0|1,1,0]=4 3388 B13R1.139 COC(=O)c1ccc(cn1)OCF 34a_100011997255_100015361967 [0,2,0,0,0,0|1,0,0]=3 3389 B13R1.139 COC(=O)c1ccc(cn1)OCF 7a_100011997255_100015361967 [0,2,0,0,0,0|1,0,0]=3 3390 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100015361967_100102712061 [0,2,0,0,0,0|1,1,0]=4 3391 B13R1.139 COC(=O)c1ccc(cn1)SCF 62a_100102712061_100015361967 [0,2,0,0,0,0|1,1,0]=4 3392 B13R1.139 COC(=O)c1ccc(nc1)CO[13CH3] 34a_100000239634_200025704644 [0,2,0,0,0,0|1,0,0]=3 3393 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_100010230174_200000210301 [0,2,0,0,0,0|1,1,0]=4 3394 B13R1.139 COC(=O)c1ccc(nc1)CSC 62a_200000210301_100010230174 [0,2,0,0,0,0|1,1,0]=4 3395 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_100010230174_200025704644 [0,2,0,0,0,0|1,1,0]=4 3396 B13R1.139 COC(=O)c1ccc(nc1)CS[13CH3] 62a_200025704644_100010230174 [0,2,0,0,0,0|1,1,0]=4 3397 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100000733799_100015361967 [0,2,0,0,0,0|1,1,0]=4 3398 B13R1.139 COC(=O)c1ccc(nc1)SCF 62a_100015361967_100000733799 [0,2,0,0,0,0|1,1,0]=4 3399 B13R1.139 COC(C)c1ccc(cc1)OCF 34a_200010658654_100015361967 [0,2,0,0,0,0|1,0,1]=4 3400 B13R1.139 COC(C)c1ccc(cc1)OCF 7a_200010658654_100015361967 [0,2,0,0,0,0|1,0,1]=4 3401 B13R1.139 COCc1ccc(cc1)C(=O)CF 1458a_100000189608_100015361967 [0,2,0,0,0,0|1,0,0]=3 3402 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100000151488_200000210301 [0,2,0,0,0,0|0,0,0]=2 3403 B13R1.139 COCc1ccc(cc1)C(=O)OC 34a_100138415774_100000735637 [0,2,0,0,0,0|0,0,0]=2 3404 B13R1.139 COCc1ccc(cc1)C(=O)OC 7a_100000151488_200000210301 [0,2,0,0,0,0|0,0,0]=2 3405 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100000239634_200000210301 [0,2,0,0,0,0|1,0,0]=3 3406 B13R1.139 COCc1ccc(cn1)C(=O)OC 34a_100138415774_100010230174 [0,2,0,0,0,0|1,0,0]=3 3407 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100009873365_200000210301 [0,2,0,0,0,0|1,0,0]=3 3408 B13R1.139 COCc1ccc(nc1)C(=O)OC 34a_100138415774_100010177729 [0,2,0,0,0,0|1,0,0]=3 3409 B13R1.139 COCc1ccc(nc1)C(=O)OC 7a_100009873365_200000210301 [0,2,0,0,0,0|1,0,0]=3 3410 B13R1.139 COCc1cnc(cn1)C(=O)OC 34a_100138415774_200010203303 [0,2,0,0,0,0|2,0,0]=4 3411 B13R1.139 CSCc1ccc(cc1)C(=O)CF 1458a_100000175442_100015361967 [0,2,0,0,0,0|1,1,0]=4 3412 B13R1.139 N#CC(=O)c1ccc(cc1)SCF 62a_100015361967_100009994572 [0,2,0,0,0,0|1,1,0]=4 3413 B13R1.139 NC(=NO)c1ccc(cc1)OCF 34a_100000231063_100015361967 [0,2,0,0,0,0|1,0,0]=3 3414 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100000017248_100015361967 [0,2,0,0,0,0|1,1,0]=4 3415 B13R1.139 NCC(=O)c1ccc(cc1)SCF 62a_100015361967_100000017248 [0,2,0,0,0,0|1,1,0]=4 3416 B13R1.139 NCC(O)c1ccc(cc1)OCF 34a_100000067596_100015361967 [0,2,0,0,0,0|1,0,1]=4 3417 B13R1.139 NNC(=O)c1ccc(cc1)OCF 34a_100000185078_100015361967 [0,2,0,0,0,0|1,0,0]=3 3418 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100000183614_100015361967 [0,2,0,0,0,0|1,1,0]=4 3419 B13R1.139 NNC(=O)c1ccc(cc1)SCF 62a_100015361967_100000183614 [0,2,0,0,0,0|1,1,0]=4 3420 B13R1.139 O=C(CBr)c1ccc(cc1)OCF 7a_100009814261_100015361967 [0,2,0,0,0,0|1,0,0]=3 3421 B13R1.139 O=C(CCl)c1ccc(cc1)OCF 7a_100000018856_100015361967 [0,2,0,0,0,0|1,0,0]=3 3422 B13R1.139 O=C(CF)c1ccc(cc1)CCO 1458a_100000078963_100015361967 [0,2,0,0,0,0|2,0,0]=4 3423 B13R1.139 O=C(CF)c1ccc(cc1)OCF 34a_200010654591_100015361967 [0,2,0,0,0,0|1,0,0]=3 3424 B13R1.139 O=C(CF)c1ccc(cc1)OCF 7a_200010654591_100015361967 [0,2,0,0,0,0|1,0,0]=3 3425 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100011219529_100015361967 [0,2,0,0,0,0|0,1,0]=3 3426 B13R1.139 O=C(CO)c1ccc(cc1)SCF 62a_100015361967_100011219529 [0,2,0,0,0,0|0,1,0]=3 3427 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100000725942_100015361967 [0,2,0,0,0,0|0,1,1]=4 3428 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000725942 [0,2,0,0,0,0|0,1,1]=4 3429 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 270084a_100102657272_100000182833 [0,2,0,0,0,0|1,0,1]=4 3430 B13R1.187 CNS(=O)(=O)c1ccc(cc1)OC 274078a_100102657272_100000182833 [0,2,0,0,0,0|1,0,1]=4 3431 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,2,0,0,0,0|1,0,1]=4 3432 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,2,0,0,0,0|1,0,1]=4 3433 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,2,0,0,0,0|1,0,1]=4 3434 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,2,0,0,0,0|1,0,1]=4 3435 B13R1.452 C#CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000184674 [0,2,0,0,0,0|2,0,0]=4 3436 B13R1.452 C#CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000184674 [0,2,0,0,0,0|1,0,0]=3 3437 B13R1.452 C#CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000184674 [0,2,0,0,0,0|1,1,0]=4 3438 B13R1.452 C#Cc1ccc(cc1)C(=O)CCO 1458a_100011217615_100000211926 [0,2,0,0,0,0|1,0,1]=4 3439 B13R1.452 C=CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210623 [0,2,0,0,0,0|2,0,0]=4 3440 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,2,0,0,0,0|1,0,0]=3 3441 B13R1.452 C=CCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210623 [0,2,0,0,0,0|1,1,0]=4 3442 B13R1.452 C=Cc1ccc(cc1)C(=O)CCO 1458a_100000687532_100000211926 [0,2,0,0,0,0|1,0,1]=4 3443 B13R1.452 C=Cc1ccc(cc1)C(=O)COC 271570a_100011290941_200011343064 [0,2,0,0,0,0|1,0,1]=4 3444 B13R1.452 C=Cc1ccc(cc1)C(=O)OCC 271570a_100011290941_100000170077 [0,2,0,0,0,0|1,0,1]=4 3445 B13R1.452 CC#CC(=O)c1ccc(cc1)SC 62a_200000210301_100153741113 [0,2,0,0,0,0|1,1,0]=4 3446 B13R1.452 CC#CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100153741113 [0,2,0,0,0,0|1,1,0]=4 3447 B13R1.452 CCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210303 [0,2,0,0,0,0|2,0,0]=4 3448 B13R1.452 CCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210303 [0,2,0,0,0,0|1,0,0]=3 3449 B13R1.452 CCCC(=O)c1ccc(cc1)OC 34a_100011216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 3450 B13R1.452 CCCC(=O)c1ccc(cc1)OC 7a_100011216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 3451 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 34a_100011216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 3452 B13R1.452 CCCC(=O)c1ccc(cc1)O[13CH3] 7a_100011216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 3453 B13R1.452 CCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210303 [0,2,0,0,0,0|1,1,0]=4 3454 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_100011267722_200000210301 [0,2,0,0,0,0|1,1,0]=4 3455 B13R1.452 CCCC(=O)c1ccc(cc1)SC 62a_200000210301_100011267722 [0,2,0,0,0,0|1,1,0]=4 3456 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_100011267722_200025704644 [0,2,0,0,0,0|1,1,0]=4 3457 B13R1.452 CCCC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011267722 [0,2,0,0,0,0|1,1,0]=4 3458 B13R1.452 CCNC(=O)c1ccc(cc1)CC 11a_100015525214_100000211226 [0,2,0,0,0,0|2,0,0]=4 3459 B13R1.452 CCNC(=O)c1ccc(cc1)CC 240690a_100015525214_100000211226 [0,2,0,0,0,0|2,0,0]=4 3460 B13R1.452 CCNC(=O)c1ccc(cc1)CC 527a_100015525214_100000211226 [0,2,0,0,0,0|2,0,0]=4 3461 B13R1.452 CCNC(=O)c1ccc(cc1)NC 2230a_100000741011_200000210301 [0,2,0,0,0,0|2,0,0]=4 3462 B13R1.452 CCNC(=O)c1ccc(cc1)NC 27a_100102657272_100000155177 [0,2,0,0,0,0|2,0,0]=4 3463 B13R1.452 CCNC(=O)c1ccc(cc1)NC 34a_100000741011_200000210301 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 2230a_100000741011_200025704644 [0,2,0,0,0,0|2,0,0]=4 3465 B13R1.452 CCNC(=O)c1ccc(cc1)N[13CH3] 34a_100000741011_200025704644 [0,2,0,0,0,0|2,0,0]=4 3466 B13R1.452 CCNC(=O)c1ccc(cc1)OC 11a_100015525214_100000184203 [0,2,0,0,0,0|1,0,0]=3 3467 B13R1.452 CCNC(=O)c1ccc(cc1)OC 240690a_100015525214_100000184203 [0,2,0,0,0,0|1,0,0]=3 3468 B13R1.452 CCNC(=O)c1ccc(cc1)OC 527a_100015525214_100000184203 [0,2,0,0,0,0|1,0,0]=3 3469 B13R1.452 CCNC(=O)c1ccc(cc1)SC 11a_100015525214_100000189692 [0,2,0,0,0,0|1,1,0]=4 3470 B13R1.452 CCNC(=O)c1ccc(cc1)SC 240690a_100015525214_100000189692 [0,2,0,0,0,0|1,1,0]=4 3471 B13R1.452 CCNC(=O)c1ccc(cc1)SC 527a_100015525214_100000189692 [0,2,0,0,0,0|1,1,0]=4 3472 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_100000155177_200000210301 [0,2,0,0,0,0|1,1,0]=4 3473 B13R1.452 CCNC(=O)c1ccc(cc1)SC 62a_200000210301_100000155177 [0,2,0,0,0,0|1,1,0]=4 3474 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_100000155177_200025704644 [0,2,0,0,0,0|1,1,0]=4 3475 B13R1.452 CCNC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000155177 [0,2,0,0,0,0|1,1,0]=4 3476 B13R1.452 CCOC(=O)c1ccc(cc1)OC 34a_100000169885_200000210301 [0,2,0,0,0,0|0,0,0]=2 3477 B13R1.452 CCOC(=O)c1ccc(cc1)OC 7a_100000169885_200000210301 [0,2,0,0,0,0|0,0,0]=2 3478 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000169885_200025704644 [0,2,0,0,0,0|0,0,0]=2 3479 B13R1.452 CCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000169885_200025704644 [0,2,0,0,0,0|0,0,0]=2 3480 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_100000169895_200000210301 [0,2,0,0,0,0|0,1,0]=3 3481 B13R1.452 CCOC(=O)c1ccc(cc1)SC 62a_200000210301_100000169919 [0,2,0,0,0,0|0,1,0]=3 3482 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_100000169895_200025704644 [0,2,0,0,0,0|0,1,0]=3 3483 B13R1.452 CCOC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000169919 [0,2,0,0,0,0|0,1,0]=3 3484 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_100011781174_200000210301 [0,2,0,0,0,0|1,1,0]=4 3485 B13R1.452 CCOC(=O)c1ccc(cn1)SC 62a_200000210301_100011781174 [0,2,0,0,0,0|1,1,0]=4 3486 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_100011781174_200025704644 [0,2,0,0,0,0|1,1,0]=4 3487 B13R1.452 CCOC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100011781174 [0,2,0,0,0,0|1,1,0]=4 3488 B13R1.452 CCOC(=O)c1ccc(nc1)NC 27a_100102657272_100000170224 [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_100011291635_200000210301 [0,2,0,0,0,0|1,1,0]=4 3490 B13R1.452 CCOC(=O)c1ccc(nc1)SC 62a_200000210301_100000170224 [0,2,0,0,0,0|1,1,0]=4 3491 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_100011291635_200025704644 [0,2,0,0,0,0|1,1,0]=4 3492 B13R1.452 CCOC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000170224 [0,2,0,0,0,0|1,1,0]=4 3493 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|1,0,1]=4 3494 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|1,0,1]=4 3495 B13R1.452 CCc1ccc(cc1)C(=O)CC#N 1458a_100000211226_100011214920 [0,2,0,0,0,0|2,0,0]=4 3496 B13R1.452 CCc1ccc(cc1)C(=O)CCF 1458a_100000211226_100011217306 [0,2,0,0,0,0|2,0,0]=4 3497 B13R1.452 CCc1ccc(cc1)C(=O)CCO 1458a_100000211226_100000211926 [0,2,0,0,0,0|1,0,0]=3 3498 B13R1.452 CCc1ccc(cc1)C(=O)CNC 2230a_106832991635_100000689809 [0,2,0,0,0,0|2,0,0]=4 3499 B13R1.452 CCc1ccc(cc1)C(=O)CNC 7a_106832991635_100000183122 [0,2,0,0,0,0|2,0,0]=4 3500 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_100000689809_200000210301 [0,2,0,0,0,0|1,1,0]=4 3501 B13R1.452 CCc1ccc(cc1)C(=O)CSC 62a_200000210301_100000689809 [0,2,0,0,0,0|1,1,0]=4 3502 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_100000689809_200025704644 [0,2,0,0,0,0|1,1,0]=4 3503 B13R1.452 CCc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000689809 [0,2,0,0,0,0|1,1,0]=4 3504 B13R1.452 CCc1ccc(cc1)C(=O)NNC 22a_100016993582_100000211226 [0,2,0,0,0,0|2,0,0]=4 3505 B13R1.452 CNCC(=O)c1ccc(cc1)OC 2230a_106832991635_100000212054 [0,2,0,0,0,0|1,0,0]=3 3506 B13R1.452 CNCC(=O)c1ccc(cc1)OC 7a_106832991635_100000212054 [0,2,0,0,0,0|1,0,0]=3 3507 B13R1.452 CNCC(=O)c1ccc(cc1)SC 2230a_106832991635_100011216809 [0,2,0,0,0,0|1,1,0]=4 3508 B13R1.452 CNCC(=O)c1ccc(cc1)SC 34a_100102657272_100011216809 [0,2,0,0,0,0|1,1,0]=4 3509 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,2,0,0,0,0|1,0,1]=4 3510 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|1,0,1]=4 3511 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,2,0,0,0,0|1,0,1]=4 3512 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,2,0,0,0,0|1,0,1]=4 3513 B13R1.452 CNNC(=O)c1ccc(cc1)OC 22a_100016993582_100000184203 [0,2,0,0,0,0|1,0,0]=3 3514 B13R1.452 CNNC(=O)c1ccc(cc1)SC 22a_100016993582_100000189692 [0,2,0,0,0,0|1,1,0]=4 3515 B13R1.452 COCC(=O)c1ccc(cc1)C#N 34a_100011592799_200000210301 [0,2,0,0,0,0|2,0,0]=4 3516 B13R1.452 COCC(=O)c1ccc(cc1)OC 34a_200009861119_200000210301 [0,2,0,0,0,0|0,0,0]=2 3517 B13R1.452 COCC(=O)c1ccc(cc1)OC 7a_200009861119_200000210301 [0,2,0,0,0,0|0,0,0]=2 3518 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 34a_200009861119_200025704644 [0,2,0,0,0,0|0,0,0]=2 3519 B13R1.452 COCC(=O)c1ccc(cc1)O[13CH3] 7a_200009861119_200025704644 [0,2,0,0,0,0|0,0,0]=2 3520 B13R1.452 COCC(=O)c1ccc(cc1)SC 34a_100138415774_100011216809 [0,2,0,0,0,0|0,1,0]=3 3521 B13R1.452 COCC(=O)c1ccc(cc1)SC 62a_200011343064_200000210301 [0,2,0,0,0,0|0,1,0]=3 3522 B13R1.452 COCC(=O)c1ccc(cc1)S[13CH3] 62a_200011343064_200025704644 [0,2,0,0,0,0|0,1,0]=3 3523 B13R1.452 COCC(N)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|1,0,1]=4 3524 B13R1.452 COCN(C)c1ccc(cc1)OC 2230a_100000220023_100000766300 [0,2,0,0,0,0|2,0,0]=4 3525 B13R1.452 COCN(C)c1ccc(cc1)OC 269982a_100000220023_100000766300 [0,2,0,0,0,0|2,0,0]=4 3526 B13R1.452 COc1ccc(cc1)C(=O)CC#N 1458a_100000184203_100011214920 [0,2,0,0,0,0|1,0,0]=3 3527 B13R1.452 COc1ccc(cc1)C(=O)CC#N 7a_100009871544_200000210301 [0,2,0,0,0,0|1,0,0]=3 3528 B13R1.452 COc1ccc(cc1)C(=O)CCCl 7a_100009879949_200000210301 [0,2,0,0,0,0|1,0,0]=3 3529 B13R1.452 COc1ccc(cc1)C(=O)CCF 1458a_100000184203_100011217306 [0,2,0,0,0,0|1,0,0]=3 3530 B13R1.452 COc1ccc(cc1)C(=O)CCO 1458a_100000184203_100000211926 [0,2,0,0,0,0|0,0,0]=2 3531 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_100000212054_200000210301 [0,2,0,0,0,0|0,1,0]=3 3532 B13R1.452 COc1ccc(cc1)C(=O)CSC 62a_200000210301_100000212054 [0,2,0,0,0,0|0,1,0]=3 3533 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_100000212054_200025704644 [0,2,0,0,0,0|0,1,0]=3 3534 B13R1.452 COc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100000212054 [0,2,0,0,0,0|0,1,0]=3 3535 B13R1.452 COc1ccc(cc1)C(C)OCF 34a_100000742907_100015361967 [0,2,0,0,0,0|1,0,1]=4 3536 B13R1.452 COc1ccc(cc1)C(C)OCF 7a_100000742907_100015361967 [0,2,0,0,0,0|1,0,1]=4 3537 B13R1.452 COc1ccc(cc1)C(N)CO[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|1,0,1]=4 3538 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,2,0,0,0,0|1,0,1]=4 3539 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|1,0,1]=4 3540 B13R1.452 COc1ccc(cc1)N(C)CC=O 2230a_100000220023_200015260668 [0,2,0,0,0,0|2,0,0]=4 3541 B13R1.452 COc1ccc(cc1)N(C)CC=O 269982a_100000220023_200015260668 [0,2,0,0,0,0|2,0,0]=4 3542 B13R1.452 COc1ccc(cc1)N(C)CC=O 34a_100000220023_200009817547 [0,2,0,0,0,0|2,0,0]=4 3543 B13R1.452 COc1ccc(cc1)N(C)CCO 2230a_100000220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 3544 B13R1.452 COc1ccc(cc1)N(C)CCO 269982a_100000220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 3545 B13R1.452 COc1ccc(cc1)N(C)CCO 34a_100000220023_100000211926 [0,2,0,0,0,0|2,0,0]=4 3546 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_100011216809_200000210301 [0,2,0,0,0,0|0,2,0]=4 3547 B13R1.452 CSCC(=O)c1ccc(cc1)SC 62a_200000210301_100011216809 [0,2,0,0,0,0|0,2,0]=4 3548 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200000210301_200020603514 [0,2,0,0,0,0|1,1,0]=4 3549 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200000210301 [0,2,0,0,0,0|1,1,0]=4 3550 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 1458a_100000189692_100011214920 [0,2,0,0,0,0|1,1,0]=4 3551 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 62a_100000740217_200000210301 [0,2,0,0,0,0|1,1,0]=4 3552 B13R1.452 CSc1ccc(cc1)C(=O)CC#N 62a_200000210301_100000740217 [0,2,0,0,0,0|1,1,0]=4 3553 B13R1.452 CSc1ccc(cc1)C(=O)CCF 1458a_100000189692_100011217306 [0,2,0,0,0,0|1,1,0]=4 3554 B13R1.452 CSc1ccc(cc1)C(=O)CCO 1458a_100000189692_100000211926 [0,2,0,0,0,0|0,1,0]=3 3555 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_100011216809_200025704644 [0,2,0,0,0,0|0,2,0]=4 3556 B13R1.452 CSc1ccc(cc1)C(=O)CS[13CH3] 62a_200025704644_100011216809 [0,2,0,0,0,0|0,2,0]=4 3557 B13R1.452 N#Cc1ccc(cc1)C(=O)CCO 1458a_100000210717_100000211926 [0,2,0,0,0,0|2,0,0]=4 3558 B13R1.452 O=C(CCO)c1ccc(cc1)CO 1458a_100000183892_100000211926 [0,2,0,0,0,0|2,0,0]=4 3559 B13R1.452 [13CH3]OCC(=O)c1ccc(cc1)C#N 34a_100011592799_200025704644 [0,2,0,0,0,0|2,0,0]=4 3560 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CC#N 7a_100009871544_200025704644 [0,2,0,0,0,0|1,0,0]=3 3561 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CCCl 7a_100009879949_200025704644 [0,2,0,0,0,0|1,0,0]=3 3562 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200025704644 [0,2,0,0,0,0|1,1,0]=4 3563 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200025704644_200020603514 [0,2,0,0,0,0|1,1,0]=4 3564 B13R1.452 [13CH3]Sc1ccc(cc1)C(=O)CC#N 62a_100000740217_200025704644 [0,2,0,0,0,0|1,1,0]=4 3565 B13R1.452 [13CH3]Sc1ccc(cc1)C(=O)CC#N 62a_200025704644_100000740217 [0,2,0,0,0,0|1,1,0]=4 3566 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C#N 271570a_100000694244_100009994572 [0,2,0,0,0,0|2,0,0]=4 3567 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C=O 271570a_100000694244_100000725942 [0,2,0,0,0,0|1,0,1]=4 3568 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 1458a_200009908186_100000210202 [0,2,0,0,0,0|2,0,0]=4 3569 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CC 271570a_100000694244_100000211647 [0,2,0,0,0,0|2,0,0]=4 3570 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CF 1458a_200009908186_100015361967 [0,2,0,0,0,0|2,0,0]=4 3571 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CN 271570a_100000694244_100000017248 [0,2,0,0,0,0|2,0,0]=4 3572 B13R1.537 C=C(C)c1ccc(cc1)C(=O)CO 271570a_100000694244_100011219529 [0,2,0,0,0,0|1,0,0]=3 3573 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 11a_106832991635_200009908186 [0,2,0,0,0,0|2,0,0]=4 3574 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 1626a_100102657272_200009908186 [0,2,0,0,0,0|2,0,0]=4 3575 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 240690a_100102657272_200009908186 [0,2,0,0,0,0|2,0,0]=4 3576 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 271570a_100000694244_100000155074 [0,2,0,0,0,0|2,0,0]=4 3577 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NC 527a_100102657272_200009908186 [0,2,0,0,0,0|2,0,0]=4 3578 B13R1.537 C=C(C)c1ccc(cc1)C(=O)NN 271570a_100000694244_100000183614 [0,2,0,0,0,0|2,0,0]=4 3579 B13R1.537 C=C(C)c1ccc(cc1)C(=O)OC 271570a_100000694244_100000150774 [0,2,0,0,0,0|1,0,0]=3 3580 B13R1.537 C=C(C)c1ccc(cc1)C(C)OC 271570a_100000694244_100010254937 [0,2,0,0,0,0|2,0,0]=4 3581 B13R1.537 C=C(C)c1ccc(cn1)C(=O)OC 271570a_100000694244_100000733799 [0,2,0,0,0,0|2,0,0]=4 3582 B13R1.537 C=C(C)c1ccc(nc1)C(=O)OC 271570a_100000694244_100000690920 [0,2,0,0,0,0|2,0,0]=4 3583 B13R1.537 CC(C)c1ccc(cc1)C(=O)CF 1458a_100000210772_100015361967 [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.537 CC(O)c1ccc(cc1)C(=O)CF 1458a_100000076921_100015361967 [0,2,0,0,0,0|2,0,0]=4 3585 B13R1.537 CC(O[13CH3])c1ccc(cc1)C(=O)N 7a_200010363529_200025704644 [0,2,0,0,0,0|1,0,0]=3 3586 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200025704644 [0,2,0,0,0,0|1,0,1]=4 3587 B13R1.537 CC(O[13CH3])c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200025704644 [0,2,0,0,0,0|1,0,1]=4 3588 B13R1.537 CCC(=O)c1ccc(cc1)C(=O)N 1458a_100000230133_100000210202 [0,2,0,0,0,0|2,0,0]=4 3589 B13R1.537 CCC(=O)c1ccc(cc1)C(C)C 1458a_100000210772_100000210202 [0,2,0,0,0,0|2,0,0]=4 3590 B13R1.537 CCC(=O)c1ccc(cc1)C(C)O 1458a_100000076921_100000210202 [0,2,0,0,0,0|2,0,0]=4 3591 B13R1.537 CCC(=O)c1ccc(cc1)N(C)C 1458a_100000210873_100000210202 [0,2,0,0,0,0|2,0,0]=4 3592 B13R1.537 CCC(=O)c1ccc(cc1)S(=O)C 1458a_200000217594_100000210202 [0,2,0,0,0,0|1,1,0]=4 3593 B13R1.537 CCN(C)c1ccc(cc1)C(=O)O 269956a_100011218868_200000210301 [0,2,0,0,0,0|1,0,0]=3 3594 B13R1.537 CCN([13CH3])c1ccc(cc1)C(=O)O 269956a_100011218868_200025704644 [0,2,0,0,0,0|1,0,0]=3 3595 B13R1.537 CN(C)c1ccc(cc1)C(=O)CF 1458a_100000210873_100015361967 [0,2,0,0,0,0|2,0,0]=4 3596 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN 27a_100102631434_100000183614 [0,2,0,0,0,0|2,0,0]=4 3597 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)C 1458a_100011298788_200000210301 [0,2,0,0,0,0|2,0,0]=4 3598 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 11a_106832991635_100000230133 [0,2,0,0,0,0|2,0,0]=4 3599 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 1626a_100102657272_100000230133 [0,2,0,0,0,0|2,0,0]=4 3600 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)N 240690a_100102657272_100000230133 [0,2,0,0,0,0|2,0,0]=4 3601 B13R1.537 CNC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100011298788_200025704644 [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 11a_106832991635_100000210772 [0,2,0,0,0,0|2,0,0]=4 3603 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 1626a_100102657272_100000210772 [0,2,0,0,0,0|2,0,0]=4 3604 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 240690a_100102657272_100000210772 [0,2,0,0,0,0|2,0,0]=4 3605 B13R1.537 CNC(=O)c1ccc(cc1)C(C)C 527a_100102657272_100000210772 [0,2,0,0,0,0|2,0,0]=4 3606 B13R1.537 CNC(=O)c1ccc(cc1)C(C)O 240690a_100102657272_100000076921 [0,2,0,0,0,0|2,0,0]=4 3607 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 11a_106832991635_100000210873 [0,2,0,0,0,0|2,0,0]=4 3608 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 1626a_100102657272_100000210873 [0,2,0,0,0,0|2,0,0]=4 3609 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 240690a_100102657272_100000210873 [0,2,0,0,0,0|2,0,0]=4 3610 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 27a_100102631434_100000155074 [0,2,0,0,0,0|2,0,0]=4 3611 B13R1.537 CNC(=O)c1ccc(cc1)N(C)C 527a_100102657272_100000210873 [0,2,0,0,0,0|2,0,0]=4 3612 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 1626a_100102657272_200000217594 [0,2,0,0,0,0|1,1,0]=4 3613 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 240690a_100102657272_200000217594 [0,2,0,0,0,0|1,1,0]=4 3614 B13R1.537 CNC(=O)c1ccc(cc1)S(=O)C 527a_100102657272_200000217594 [0,2,0,0,0,0|1,1,0]=4 3615 B13R1.537 CN[C@@H](C)c1ccc(cc1)C(=O)O 269956a_100020638929_200000210301 [0,2,0,0,0,0|1,0,0]=3 3616 B13R1.537 COC(=O)c1ccc(cc1)C(=O)C 1458a_100000211811_200000210301 [0,2,0,0,0,0|1,0,0]=3 3617 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000211811_200025704644 [0,2,0,0,0,0|1,0,0]=3 3618 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 2230a_100000220287_200000210301 [0,2,0,0,0,0|1,0,0]=3 3619 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 269982a_100000220287_200000210301 [0,2,0,0,0,0|1,0,0]=3 3620 B13R1.537 COC(=O)c1ccc(cc1)N(C)C 34a_100000220287_200000210301 [0,2,0,0,0,0|1,0,0]=3 3621 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 2230a_100000220287_200025704644 [0,2,0,0,0,0|1,0,0]=3 3622 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 269982a_100000220287_200025704644 [0,2,0,0,0,0|1,0,0]=3 3623 B13R1.537 COC(=O)c1ccc(cc1)N(C)[13CH3] 34a_100000220287_200025704644 [0,2,0,0,0,0|1,0,0]=3 3624 B13R1.537 COC(=O)c1ccc(nc1)N(C)C 27a_100102631434_100000733799 [0,2,0,0,0,0|2,0,0]=4 3625 B13R1.537 COC(C)c1ccc(cc1)C(=O)N 7a_200010363529_200000210301 [0,2,0,0,0,0|1,0,0]=3 3626 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 34a_100000246459_200000210301 [0,2,0,0,0,0|1,0,1]=4 3627 B13R1.537 COC(C)c1ccc(cc1)[N+](=O)[O-] 7a_100000246459_200000210301 [0,2,0,0,0,0|1,0,1]=4 3628 B13R1.537 CS(=O)c1ccc(cc1)C(=O)CF 1458a_200000217594_100015361967 [0,2,0,0,0,0|1,1,0]=4 3629 B13R1.537 C[C@H](N[13CH3])c1ccc(cc1)C(=O)O 269956a_100020638929_200025704644 [0,2,0,0,0,0|1,0,0]=3 3630 B13R1.537 NC(=O)c1ccc(cc1)C(=O)CF 1458a_100000230133_100015361967 [0,2,0,0,0,0|2,0,0]=4 3631 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,2,0,0,0,0|1,0,1]=4 3632 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,2,0,0,0,0|1,0,1]=4 3633 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,2,0,0,0,0|1,0,1]=4 3634 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,2,0,0,0,0|1,0,1]=4 3635 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,2,0,0,0,0|1,0,1]=4 3636 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,2,0,0,0,0|1,0,1]=4 3637 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210202 [0,2,0,0,0,0|2,0,0]=4 3638 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [0,2,0,0,0,0|1,0,0]=3 3639 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [0,2,0,0,0,0|1,0,0]=3 3640 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200012349626 [0,2,0,0,0,0|1,1,0]=4 3641 B13R1.3088 CCC(=O)c1ccc(c(c1)C)SC 62a_200012349626_200000210301 [0,2,0,0,0,0|1,1,0]=4 3642 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200012349626_200025704644 [0,2,0,0,0,0|1,1,0]=4 3643 B13R1.3088 CCC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200012349626 [0,2,0,0,0,0|1,1,0]=4 3644 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [0,2,0,0,0,0|1,0,0]=3 3645 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [0,2,0,0,0,0|1,0,0]=3 3646 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [0,2,0,0,0,0|1,0,0]=3 3647 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [0,2,0,0,0,0|1,0,0]=3 3648 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [0,2,0,0,0,0|1,0,0]=3 3649 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [0,2,0,0,0,0|1,0,0]=3 3650 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [0,2,0,0,0,0|1,0,0]=3 3651 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [0,2,0,0,0,0|1,0,0]=3 3653 B13R1.3088 CCc1ccc(cc1Br)C(=O)CF 1458a_100012340589_100015361967 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 11a_106832991635_100012340589 [0,2,0,0,0,0|2,0,0]=4 3655 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100012340589 [0,2,0,0,0,0|2,0,0]=4 3656 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100012340589 [0,2,0,0,0,0|2,0,0]=4 3657 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 527a_100102657272_100012340589 [0,2,0,0,0,0|2,0,0]=4 3658 B13R1.3088 CCc1ccc(cc1O)C(=O)CF 1458a_100000089006_100015361967 [0,2,0,0,0,0|2,0,0]=4 3659 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [0,2,0,0,0,0|2,0,0]=4 3660 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [0,2,0,0,0,0|2,0,0]=4 3661 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,2,0,0,0,0|1,0,0]=3 3662 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [0,2,0,0,0,0|1,0,0]=3 3663 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [0,2,0,0,0,0|1,0,0]=3 3664 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [0,2,0,0,0,0|1,0,0]=3 3665 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [0,2,0,0,0,0|1,0,0]=3 3666 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 2230a_100000739472_200000210301 [0,2,0,0,0,0|2,0,0]=4 3667 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 27a_100102657272_200013065384 [0,2,0,0,0,0|2,0,0]=4 3668 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 34a_100000739472_200000210301 [0,2,0,0,0,0|2,0,0]=4 3669 B13R1.3088 CNC(=O)c1ccc(c(c1)C)NC 7a_100000739472_200000210301 [0,2,0,0,0,0|2,0,0]=4 3670 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 2230a_100000739472_200025704644 [0,2,0,0,0,0|2,0,0]=4 3671 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 34a_100000739472_200025704644 [0,2,0,0,0,0|2,0,0]=4 3672 B13R1.3088 CNC(=O)c1ccc(c(c1)C)N[13CH3] 7a_100000739472_200025704644 [0,2,0,0,0,0|2,0,0]=4 3673 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [0,2,0,0,0,0|1,0,0]=3 3674 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [0,2,0,0,0,0|1,0,0]=3 3675 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [0,2,0,0,0,0|1,0,0]=3 3676 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [0,2,0,0,0,0|1,0,0]=3 3677 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200000210301_200013065384 [0,2,0,0,0,0|1,1,0]=4 3678 B13R1.3088 CNC(=O)c1ccc(c(c1)C)SC 62a_200013065384_200000210301 [0,2,0,0,0,0|1,1,0]=4 3679 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200013065384_200025704644 [0,2,0,0,0,0|1,1,0]=4 3680 B13R1.3088 CNC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_200013065384 [0,2,0,0,0,0|1,1,0]=4 3681 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [0,2,0,0,0,0|1,0,0]=3 3682 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [0,2,0,0,0,0|1,0,0]=3 3683 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [0,2,0,0,0,0|1,0,0]=3 3684 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [0,2,0,0,0,0|1,0,0]=3 3685 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [0,2,0,0,0,0|1,0,0]=3 3686 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [0,2,0,0,0,0|1,0,0]=3 3687 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [0,2,0,0,0,0|1,0,0]=3 3688 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [0,2,0,0,0,0|1,0,0]=3 3689 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [0,2,0,0,0,0|1,0,0]=3 3690 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [0,2,0,0,0,0|1,0,0]=3 3691 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [0,2,0,0,0,0|1,0,0]=3 3692 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [0,2,0,0,0,0|1,0,0]=3 3693 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [0,2,0,0,0,0|1,0,0]=3 3694 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [0,2,0,0,0,0|1,0,0]=3 3695 B13R1.3088 CNc1ccc(cc1C)C(=O)NN 27a_100102657272_100012339724 [0,2,0,0,0,0|2,0,0]=4 3696 B13R1.3088 CNc1ccc(nc1F)C(=O)OC 27a_100102657272_100010189630 [0,2,0,0,0,0|2,0,0]=4 3697 B13R1.3088 CNc1ncc(cc1Br)C(=O)OC 27a_100102657272_100010114297 [0,2,0,0,0,0|2,0,0]=4 3698 B13R1.3088 CNc1ncc(cc1C)C(=O)OC 27a_100102657272_100009862495 [0,2,0,0,0,0|2,0,0]=4 3699 B13R1.3088 CNc1ncc(cc1F)C(=O)OC 27a_100102657272_100009877320 [0,2,0,0,0,0|2,0,0]=4 3700 B13R1.3088 CNc1ncc(cc1N)C(=O)OC 27a_100102657272_100000079130 [0,2,0,0,0,0|2,0,0]=4 3701 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [0,2,0,0,0,0|1,0,0]=3 3702 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_100010080863_200000210301 [0,2,0,0,0,0|1,1,0]=4 3703 B13R1.3088 COC(=O)c1cc(c(cn1)SC)C 62a_200000210301_100010080863 [0,2,0,0,0,0|1,1,0]=4 3704 B13R1.3088 COC(=O)c1cc(c(cn1)SC)N 62a_100016001589_200000210301 [0,2,0,0,0,0|1,1,0]=4 3705 B13R1.3088 COC(=O)c1cc(c(cn1)SC)N 62a_200000210301_100016001589 [0,2,0,0,0,0|1,1,0]=4 3706 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_100010080863_200025704644 [0,2,0,0,0,0|1,1,0]=4 3707 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])C 62a_200025704644_100010080863 [0,2,0,0,0,0|1,1,0]=4 3708 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])N 62a_100016001589_200025704644 [0,2,0,0,0,0|1,1,0]=4 3709 B13R1.3088 COC(=O)c1cc(c(cn1)S[13CH3])N 62a_200025704644_100016001589 [0,2,0,0,0,0|1,1,0]=4 3710 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,2,0,0,0,0|0,0,0]=2 3711 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,2,0,0,0,0|0,0,0]=2 3712 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,2,0,0,0,0|0,0,0]=2 3713 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,2,0,0,0,0|0,0,0]=2 3714 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [0,2,0,0,0,0|0,1,0]=3 3715 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [0,2,0,0,0,0|0,1,0]=3 3716 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [0,2,0,0,0,0|0,1,0]=3 3717 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [0,2,0,0,0,0|0,1,0]=3 3718 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,2,0,0,0,0|0,0,0]=2 3719 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,2,0,0,0,0|0,0,0]=2 3720 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,2,0,0,0,0|0,0,0]=2 3721 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,2,0,0,0,0|0,0,0]=2 3722 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [0,2,0,0,0,0|0,1,0]=3 3723 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [0,2,0,0,0,0|0,1,0]=3 3724 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [0,2,0,0,0,0|0,1,0]=3 3725 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [0,2,0,0,0,0|0,1,0]=3 3726 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,2,0,0,0,0|0,0,0]=2 3727 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,2,0,0,0,0|0,0,0]=2 3728 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,2,0,0,0,0|0,0,0]=2 3729 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,2,0,0,0,0|0,0,0]=2 3730 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [0,2,0,0,0,0|0,1,0]=3 3731 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [0,2,0,0,0,0|0,1,0]=3 3732 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [0,2,0,0,0,0|0,1,0]=3 3733 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [0,2,0,0,0,0|0,1,0]=3 3734 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,2,0,0,0,0|0,0,0]=2 3735 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,2,0,0,0,0|0,0,0]=2 3736 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,2,0,0,0,0|0,0,0]=2 3737 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,2,0,0,0,0|0,0,0]=2 3738 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [0,2,0,0,0,0|0,1,0]=3 3739 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [0,2,0,0,0,0|0,1,0]=3 3740 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [0,2,0,0,0,0|0,1,0]=3 3741 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [0,2,0,0,0,0|0,1,0]=3 3742 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,2,0,0,0,0|0,0,0]=2 3743 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,2,0,0,0,0|0,0,0]=2 3744 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,2,0,0,0,0|0,0,0]=2 3745 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,2,0,0,0,0|0,0,0]=2 3746 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,2,0,0,0,0|0,0,0]=2 3747 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,2,0,0,0,0|0,0,0]=2 3748 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,2,0,0,0,0|0,0,0]=2 3749 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,2,0,0,0,0|0,0,0]=2 3750 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [0,2,0,0,0,0|0,1,0]=3 3751 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [0,2,0,0,0,0|0,1,0]=3 3752 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [0,2,0,0,0,0|0,1,0]=3 3753 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [0,2,0,0,0,0|0,1,0]=3 3754 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,2,0,0,0,0|2,0,0]=4 3755 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,2,0,0,0,0|2,0,0]=4 3756 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|2,0,0]=4 3757 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|0,0,0]=2 3758 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,2,0,0,0,0|0,1,0]=3 3759 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,2,0,0,0,0|0,1,0]=3 3760 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,2,0,0,0,0|0,1,0]=3 3761 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,2,0,0,0,0|0,1,0]=3 3762 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 34a_200009815348_200000210301 [0,2,0,0,0,0|1,0,0]=3 3763 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 7a_200009815348_200000210301 [0,2,0,0,0,0|1,0,0]=3 3764 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 34a_200009815348_200025704644 [0,2,0,0,0,0|1,0,0]=3 3765 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 7a_200009815348_200025704644 [0,2,0,0,0,0|1,0,0]=3 3766 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_100010207261_200000210301 [0,2,0,0,0,0|1,1,0]=4 3767 B13R1.3088 COC(=O)c1ccc(c(n1)C)SC 62a_200000210301_100010207261 [0,2,0,0,0,0|1,1,0]=4 3768 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_100010207261_200025704644 [0,2,0,0,0,0|1,1,0]=4 3769 B13R1.3088 COC(=O)c1ccc(c(n1)C)S[13CH3] 62a_200025704644_100010207261 [0,2,0,0,0,0|1,1,0]=4 3770 B13R1.3088 COC(=O)c1ccc(c(n1)F)SC 62a_100010189630_200000210301 [0,2,0,0,0,0|1,1,0]=4 3771 B13R1.3088 COC(=O)c1ccc(c(n1)F)SC 62a_200000210301_100010189630 [0,2,0,0,0,0|1,1,0]=4 3772 B13R1.3088 COC(=O)c1ccc(c(n1)F)S[13CH3] 62a_100010189630_200025704644 [0,2,0,0,0,0|1,1,0]=4 3773 B13R1.3088 COC(=O)c1ccc(c(n1)F)S[13CH3] 62a_200025704644_100010189630 [0,2,0,0,0,0|1,1,0]=4 3774 B13R1.3088 COC(=O)c1ccc(c(n1)N)SC 62a_100010187631_200000210301 [0,2,0,0,0,0|1,1,0]=4 3775 B13R1.3088 COC(=O)c1ccc(c(n1)N)S[13CH3] 62a_100010187631_200025704644 [0,2,0,0,0,0|1,1,0]=4 3776 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [0,2,0,0,0,0|1,0,0]=3 3777 B13R1.3088 COC(=O)c1ccc(c(n1)O)SC 62a_200000210301_100010189637 [0,2,0,0,0,0|1,1,0]=4 3778 B13R1.3088 COC(=O)c1ccc(c(n1)O)S[13CH3] 62a_200025704644_100010189637 [0,2,0,0,0,0|1,1,0]=4 3779 B13R1.3088 COC(=O)c1cnc(c(c1)Br)OC 34a_100015192546_200000210301 [0,2,0,0,0,0|1,0,0]=3 3780 B13R1.3088 COC(=O)c1cnc(c(c1)Br)O[13CH3] 34a_100015192546_200025704644 [0,2,0,0,0,0|1,0,0]=3 3781 B13R1.3088 COC(=O)c1cnc(c(c1)Br)SC 62a_100010114297_200000210301 [0,2,0,0,0,0|1,1,0]=4 3782 B13R1.3088 COC(=O)c1cnc(c(c1)Br)SC 62a_200000210301_100010114297 [0,2,0,0,0,0|1,1,0]=4 3783 B13R1.3088 COC(=O)c1cnc(c(c1)Br)S[13CH3] 62a_100010114297_200025704644 [0,2,0,0,0,0|1,1,0]=4 3784 B13R1.3088 COC(=O)c1cnc(c(c1)Br)S[13CH3] 62a_200025704644_100010114297 [0,2,0,0,0,0|1,1,0]=4 3785 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200000210301_100009862495 [0,2,0,0,0,0|1,1,0]=4 3786 B13R1.3088 COC(=O)c1cnc(c(c1)C)SC 62a_200010136688_200000210301 [0,2,0,0,0,0|1,1,0]=4 3787 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200010136688_200025704644 [0,2,0,0,0,0|1,1,0]=4 3788 B13R1.3088 COC(=O)c1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009862495 [0,2,0,0,0,0|1,1,0]=4 3789 B13R1.3088 COC(=O)c1cnc(c(c1)F)SC 62a_100010189625_200000210301 [0,2,0,0,0,0|1,1,0]=4 3790 B13R1.3088 COC(=O)c1cnc(c(c1)F)SC 62a_200000210301_100010189625 [0,2,0,0,0,0|1,1,0]=4 3791 B13R1.3088 COC(=O)c1cnc(c(c1)F)S[13CH3] 62a_100010189625_200025704644 [0,2,0,0,0,0|1,1,0]=4 3792 B13R1.3088 COC(=O)c1cnc(c(c1)F)S[13CH3] 62a_200025704644_100010189625 [0,2,0,0,0,0|1,1,0]=4 3793 B13R1.3088 COC(=O)c1cnc(c(c1)N)SC 62a_200000210301_100000079130 [0,2,0,0,0,0|1,1,0]=4 3794 B13R1.3088 COC(=O)c1cnc(c(c1)N)S[13CH3] 62a_200025704644_100000079130 [0,2,0,0,0,0|1,1,0]=4 3795 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [0,2,0,0,0,0|1,0,0]=3 3796 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_100010999399_200000210301 [0,2,0,0,0,0|1,1,0]=4 3797 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010999399 [0,2,0,0,0,0|1,1,0]=4 3798 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_100010999399_200025704644 [0,2,0,0,0,0|1,1,0]=4 3799 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010999399 [0,2,0,0,0,0|1,1,0]=4 3800 B13R1.3088 COc1ccc(cc1Br)C(=O)CF 1458a_100000187947_100015361967 [0,2,0,0,0,0|1,0,0]=3 3801 B13R1.3088 COc1ccc(cc1Br)C(C)OC 34a_100000246541_200000210301 [0,2,0,0,0,0|1,0,1]=4 3802 B13R1.3088 COc1ccc(cc1Br)C(C)OC 7a_100000246541_200000210301 [0,2,0,0,0,0|1,0,1]=4 3803 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 34a_100000246541_200025704644 [0,2,0,0,0,0|1,0,1]=4 3804 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 7a_100000246541_200025704644 [0,2,0,0,0,0|1,0,1]=4 3805 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [0,2,0,0,0,0|1,0,0]=3 3806 B13R1.3088 COc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200000210301 [0,2,0,0,0,0|1,0,0]=3 3807 B13R1.3088 COc1ccc(cc1Cl)C(=O)CF 1458a_100000188346_100015361967 [0,2,0,0,0,0|1,0,0]=3 3808 B13R1.3088 COc1ccc(cc1F)C(=O)CF 1458a_100000186160_100015361967 [0,2,0,0,0,0|1,0,0]=3 3809 B13R1.3088 COc1ccc(cc1F)C(C)OC 34a_100000242639_200000210301 [0,2,0,0,0,0|1,0,1]=4 3810 B13R1.3088 COc1ccc(cc1F)C(C)OC 7a_100000242639_200000210301 [0,2,0,0,0,0|1,0,1]=4 3811 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 34a_100000242639_200025704644 [0,2,0,0,0,0|1,0,1]=4 3812 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 7a_100000242639_200025704644 [0,2,0,0,0,0|1,0,1]=4 3813 B13R1.3088 COc1ccc(cc1I)C(=O)CF 1458a_100000188716_100015361967 [0,2,0,0,0,0|1,0,0]=3 3814 B13R1.3088 COc1ccc(cc1I)C(C)OC 34a_202516928852_200000210301 [0,2,0,0,0,0|1,0,1]=4 3815 B13R1.3088 COc1ccc(cc1I)C(C)OC 7a_202516928852_200000210301 [0,2,0,0,0,0|1,0,1]=4 3816 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 34a_202516928852_200025704644 [0,2,0,0,0,0|1,0,1]=4 3817 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 7a_202516928852_200025704644 [0,2,0,0,0,0|1,0,1]=4 3818 B13R1.3088 COc1ccc(cc1N)C(=O)NN 34a_200000039609_200000210301 [0,2,0,0,0,0|1,0,0]=3 3819 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [0,2,0,0,0,0|1,0,0]=3 3820 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [0,2,0,0,0,0|1,0,0]=3 3821 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_100012339724_200000210301 [0,2,0,0,0,0|1,1,0]=4 3822 B13R1.3088 CSc1ccc(cc1C)C(=O)NN 62a_200000210301_100012339724 [0,2,0,0,0,0|1,1,0]=4 3823 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_100016989600_200000210301 [0,2,0,0,0,0|1,1,0]=4 3824 B13R1.3088 CSc1ccc(cc1F)C(=O)CN 62a_200000210301_100016989600 [0,2,0,0,0,0|1,1,0]=4 3825 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_100012339724_200025704644 [0,2,0,0,0,0|1,1,0]=4 3826 B13R1.3088 Cc1cc(ccc1S[13CH3])C(=O)NN 62a_200025704644_100012339724 [0,2,0,0,0,0|1,1,0]=4 3827 B13R1.3088 [13CH3]Oc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200025704644 [0,2,0,0,0,0|1,0,0]=3 3828 B13R1.3088 [13CH3]Oc1ccc(cc1N)C(=O)NN 34a_200000039609_200025704644 [0,2,0,0,0,0|1,0,0]=3 3829 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_100016989600_200025704644 [0,2,0,0,0,0|1,1,0]=4 3830 B13R1.3088 [13CH3]Sc1ccc(cc1F)C(=O)CN 62a_200025704644_100016989600 [0,2,0,0,0,0|1,1,0]=4 3831 B13R1.38 COc1ccc(cc1F)S(=O)(=O)C 34a_100000069939_200000210301 [0,2,0,0,0,0|1,0,1]=4 3832 B13R1.38 COc1ccc(cc1F)S(=O)(=O)C 7a_100000069939_200000210301 [0,2,0,0,0,0|1,0,1]=4 3833 B13R1.38 COc1ccc(cc1N)S(=O)(=O)C 34a_100000186253_200000210301 [0,2,0,0,0,0|1,0,1]=4 3834 B13R1.38 COc1ccc(cc1N)S(=O)(=O)C 7a_100000186253_200000210301 [0,2,0,0,0,0|1,0,1]=4 3835 B13R1.38 COc1ccc(cc1N)S(=O)(=O)N 34a_100000182321_200000210301 [0,2,0,0,0,0|1,0,1]=4 3836 B13R1.38 COc1ccc(cc1N)S(=O)(=O)N 7a_100000182321_200000210301 [0,2,0,0,0,0|1,0,1]=4 3837 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000069939_200025704644 [0,2,0,0,0,0|1,0,1]=4 3838 B13R1.38 CS(=O)(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000069939_200025704644 [0,2,0,0,0,0|1,0,1]=4 3839 B13R1.38 CS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000186253_200025704644 [0,2,0,0,0,0|1,0,1]=4 3840 B13R1.38 CS(=O)(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000186253_200025704644 [0,2,0,0,0,0|1,0,1]=4 3841 B13R1.38 [13CH3]Oc1ccc(cc1N)S(=O)(=O)N 34a_100000182321_200025704644 [0,2,0,0,0,0|1,0,1]=4 3842 B13R1.38 [13CH3]Oc1ccc(cc1N)S(=O)(=O)N 7a_100000182321_200025704644 [0,2,0,0,0,0|1,0,1]=4 3843 B13R1.96 COc1ccc(c(c1)O)S(=O)(=O)C 271570a_203496583355_100021291132 [0,2,0,0,0,0|1,0,1]=4 3844 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 34a_100000695648_100015361967 [0,2,0,0,0,0|1,0,1]=4 3845 B13R1.140 CC(C)(O)c1ccc(cc1)OCF 7a_100000695648_100015361967 [0,2,0,0,0,0|1,0,1]=4 3846 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 34a_100000695648_100000210202 [0,2,0,0,0,0|1,0,1]=4 3847 B13R1.140 CCOc1ccc(cc1)C(C)(C)O 7a_100000695648_100000210202 [0,2,0,0,0,0|1,0,1]=4 3848 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C 34a_100000230201_100000210202 [0,2,0,0,0,0|1,0,1]=4 3849 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)C 7a_100000230201_100000210202 [0,2,0,0,0,0|1,0,1]=4 3850 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)N 34a_100000738502_100000210202 [0,2,0,0,0,0|1,0,1]=4 3851 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)N 7a_100000738502_100000210202 [0,2,0,0,0,0|1,0,1]=4 3852 B13R1.140 CCOc1ccc(cc1)S(=O)(=O)[O-] 7a_100000698548_100000210202 [0,2,0,0,0,0|1,0,1]=4 3853 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100000728255_200000210301 [0,2,0,0,0,0|1,0,1]=4 3854 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 34a_100138415774_100000717844 [0,2,0,0,0,0|1,0,1]=4 3855 B13R1.140 COCc1ccc(cc1)S(=O)(=O)C 7a_100000728255_200000210301 [0,2,0,0,0,0|1,0,1]=4 3856 B13R1.140 COCc1ccc(cc1)S(=O)(=O)N 34a_100138415774_200012292325 [0,2,0,0,0,0|1,0,1]=4 3857 B13R1.140 COCc1ccc(cc1)S(=O)(=O)N 34a_200000723721_200000210301 [0,2,0,0,0,0|1,0,1]=4 3858 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 34a_100000728255_200025704644 [0,2,0,0,0,0|1,0,1]=4 3859 B13R1.140 CS(=O)(=O)c1ccc(cc1)CO[13CH3] 7a_100000728255_200025704644 [0,2,0,0,0,0|1,0,1]=4 3860 B13R1.140 CS(=O)(=O)c1ccc(cc1)OCF 34a_100000230201_100015361967 [0,2,0,0,0,0|1,0,1]=4 3861 B13R1.140 CS(=O)(=O)c1ccc(cc1)OCF 7a_100000230201_100015361967 [0,2,0,0,0,0|1,0,1]=4 3862 B13R1.140 NS(=O)(=O)c1ccc(cc1)OCF 34a_100000738502_100015361967 [0,2,0,0,0,0|1,0,1]=4 3863 B13R1.140 NS(=O)(=O)c1ccc(cc1)OCF 7a_100000738502_100015361967 [0,2,0,0,0,0|1,0,1]=4 3864 B13R1.140 O=S(=O)([O-])c1ccc(cc1)OCF 7a_100000698548_100015361967 [0,2,0,0,0,0|1,0,1]=4 3865 B13R1.140 [13CH3]OCc1ccc(cc1)S(=O)(=O)N 34a_200000723721_200025704644 [0,2,0,0,0,0|1,0,1]=4 3866 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C 1458a_100000210226_200000210301 [0,2,0,0,0,0|2,0,0]=4 3867 B13R1.338 CC(=O)c1ccc(cc1)C(C)(F)F 1458a_100000734349_200000210301 [0,2,0,0,0,0|2,0,0]=4 3868 B13R1.338 CC(=O)c1ccc(cc1)S(=O)(=O)C 1458a_100000185160_200000210301 [0,2,0,0,0,0|1,1,0]=4 3869 B13R1.338 CC(=O)c1ccc(cc1)[Si](C)(C)C 1458a_100009908145_200000210301 [0,2,0,0,0,0|2,0,0]=4 3870 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100000210226_200025704644 [0,2,0,0,0,0|2,0,0]=4 3871 B13R1.338 CC(F)(F)c1ccc(cc1)C(=O)[13CH3] 1458a_100000734349_200025704644 [0,2,0,0,0,0|2,0,0]=4 3872 B13R1.338 CS(=O)(=O)c1ccc(cc1)C(=O)[13CH3] 1458a_100000185160_200025704644 [0,2,0,0,0,0|1,1,0]=4 3873 B13R1.338 C[Si](C)(C)c1ccc(cc1)C(=O)[13CH3] 1458a_100009908145_200025704644 [0,2,0,0,0,0|2,0,0]=4 3874 B13R1.120 C=C(C)c1ccc(c(c1)Br)C(=O)N 271570a_100000694244_200010146565 [0,2,0,0,0,0|2,0,0]=4 3875 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)C 271570a_100000694244_100012360112 [0,2,0,0,0,0|2,0,0]=4 3876 B13R1.120 C=C(C)c1ccc(c(c1)C)C(=O)N 271570a_100000694244_100011327924 [0,2,0,0,0,0|2,0,0]=4 3877 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)C 271570a_100000694244_100000690205 [0,2,0,0,0,0|2,0,0]=4 3878 B13R1.120 C=C(C)c1ccc(c(c1)F)C(=O)N 271570a_100000694244_100000216903 [0,2,0,0,0,0|2,0,0]=4 3879 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)C 271570a_100000694244_100011590516 [0,2,0,0,0,0|2,0,0]=4 3880 B13R1.120 C=C(C)c1ccc(c(c1)N)C(=O)N 271570a_100000694244_100012349972 [0,2,0,0,0,0|2,0,0]=4 3881 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)C 271570a_100000694244_100000188348 [0,2,0,0,0,0|2,0,0]=4 3882 B13R1.120 C=C(C)c1ccc(c(c1)O)C(=O)N 271570a_100000694244_100011550861 [0,2,0,0,0,0|2,0,0]=4 3883 B13R1.120 C=C(C)c1ccc(cc1Br)C(=O)C 271570a_100000694244_100010146554 [0,2,0,0,0,0|2,0,0]=4 3884 B13R1.120 C=C(C)c1ccc(cc1Br)C(=O)N 271570a_100000694244_100009814583 [0,2,0,0,0,0|2,0,0]=4 3885 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)C 271570a_100000694244_100000697869 [0,2,0,0,0,0|2,0,0]=4 3886 B13R1.120 C=C(C)c1ccc(cc1C)C(=O)N 271570a_100000694244_100011218126 [0,2,0,0,0,0|2,0,0]=4 3887 B13R1.120 C=C(C)c1ccc(cc1F)C(=O)C 271570a_100000694244_100000690002 [0,2,0,0,0,0|2,0,0]=4 3888 B13R1.120 C=C(C)c1ccc(cc1F)C(=O)N 271570a_100000694244_100000686215 [0,2,0,0,0,0|2,0,0]=4 3889 B13R1.120 C=C(C)c1ccc(cc1N)C(=O)C 271570a_100000694244_100009816534 [0,2,0,0,0,0|2,0,0]=4 3890 B13R1.120 C=C(C)c1ccc(cc1O)C(=O)N 271570a_100000694244_100012344895 [0,2,0,0,0,0|2,0,0]=4 3891 B13R1.120 CC(=O)c1ccc(c(c1)Br)C(C)C 1458a_100010235942_200000210301 [0,2,0,0,0,0|2,0,0]=4 3892 B13R1.120 CC(=O)c1ccc(cc1C)C(=O)N 1458a_100009913687_200000210301 [0,2,0,0,0,0|2,0,0]=4 3893 B13R1.120 CC(=O)c1ccc(cc1F)C(C)C 1458a_100011941423_200000210301 [0,2,0,0,0,0|2,0,0]=4 3894 B13R1.120 CC(=O)c1ccc(cc1F)N(C)C 27a_100102631434_100000690205 [0,2,0,0,0,0|2,0,0]=4 3895 B13R1.120 CC(=O)c1ccc(cc1O)N(C)C 1458a_200000073653_200000210301 [0,2,0,0,0,0|2,0,0]=4 3896 B13R1.120 CC(C)c1ccc(c(c1)F)C(=O)[13CH3] 1458a_100011941423_200025704644 [0,2,0,0,0,0|2,0,0]=4 3897 B13R1.120 CC(C)c1ccc(cc1Br)C(=O)[13CH3] 1458a_100010235942_200025704644 [0,2,0,0,0,0|2,0,0]=4 3898 B13R1.120 CN(C)c1ccc(c(c1)Br)C(=O)N 27a_100102631434_200010146565 [0,2,0,0,0,0|2,0,0]=4 3899 B13R1.120 CN(C)c1ccc(c(c1)F)C(=O)N 27a_100102631434_100000216903 [0,2,0,0,0,0|2,0,0]=4 3900 B13R1.120 CN(C)c1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000073653_200025704644 [0,2,0,0,0,0|2,0,0]=4 3901 B13R1.120 CN(C)c1ccc(cc1Br)C(=O)N 27a_100102631434_100009814583 [0,2,0,0,0,0|2,0,0]=4 3902 B13R1.120 CN(C)c1ccc(cc1F)C(=O)N 27a_100102631434_100000686215 [0,2,0,0,0,0|2,0,0]=4 3903 B13R1.120 Cc1cc(ccc1C(=O)N)N(C)C 27a_100102631434_100011327924 [0,2,0,0,0,0|2,0,0]=4 3904 B13R1.120 Cc1cc(ccc1C(=O)[13CH3])C(=O)N 1458a_100009913687_200025704644 [0,2,0,0,0,0|2,0,0]=4 3905 B13R1.120 Cc1cc(ccc1N(C)C)C(=O)N 27a_100102631434_100011218126 [0,2,0,0,0,0|2,0,0]=4 3906 B13R1.144 C=C(C)c1ccc(c(c1)C)OCC 271570a_100000694244_100011308936 [0,2,0,0,0,0|2,0,0]=4 3907 B13R1.144 C=C(C)c1ccc(c(c1)F)OCC 271570a_100000694244_200000171753 [0,2,0,0,0,0|2,0,0]=4 3908 B13R1.144 C=C(C)c1ccc(c(c1)N)COC 271570a_100000694244_100013084866 [0,2,0,0,0,0|2,0,0]=4 3909 B13R1.144 C=C(C)c1ccc(c(c1)N)OCC 271570a_100000694244_100000751366 [0,2,0,0,0,0|2,0,0]=4 3910 B13R1.144 CC(=O)c1ccc(c(c1)Br)CS[13CH3] 62a_100010884425_200025704644 [0,2,0,0,0,0|1,1,0]=4 3911 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 34a_100011772453_100015361967 [0,2,0,0,0,0|1,0,0]=3 3912 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 7a_100011772453_100015361967 [0,2,0,0,0,0|1,0,0]=3 3913 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100010146554_100015361967 [0,2,0,0,0,0|1,1,0]=4 3914 B13R1.144 CC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100010146554 [0,2,0,0,0,0|1,1,0]=4 3915 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 34a_100000188726_100015361967 [0,2,0,0,0,0|1,0,0]=3 3916 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 7a_100000188726_100015361967 [0,2,0,0,0,0|1,0,0]=3 3917 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100000697869_100015361967 [0,2,0,0,0,0|1,1,0]=4 3918 B13R1.144 CC(=O)c1ccc(c(c1)C)SCF 62a_100015361967_100000697869 [0,2,0,0,0,0|1,1,0]=4 3919 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 34a_100000188625_100015361967 [0,2,0,0,0,0|1,0,0]=3 3920 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 7a_100000188625_100015361967 [0,2,0,0,0,0|1,0,0]=3 3921 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 34a_100000751691_100015361967 [0,2,0,0,0,0|1,0,0]=3 3922 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 7a_100000751691_100015361967 [0,2,0,0,0,0|1,0,0]=3 3923 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100000690002_100015361967 [0,2,0,0,0,0|1,1,0]=4 3924 B13R1.144 CC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000690002 [0,2,0,0,0,0|1,1,0]=4 3925 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 34a_100000117292_100015361967 [0,2,0,0,0,0|1,0,0]=3 3926 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 7a_100000117292_100015361967 [0,2,0,0,0,0|1,0,0]=3 3927 B13R1.144 CC(=O)c1ccc(c(c1)N)SCF 62a_100009816534_100015361967 [0,2,0,0,0,0|1,1,0]=4 3928 B13R1.144 CC=Cc1ccc(cc1Br)C(=O)C 271570a_100016259895_100010146554 [0,2,0,0,0,0|2,0,0]=4 3929 B13R1.144 CC=Cc1ccc(cc1Br)C(=O)N 271570a_100016259895_100009814583 [0,2,0,0,0,0|2,0,0]=4 3930 B13R1.144 CC=Cc1ccc(cc1C)C(=O)C 271570a_100016259895_100000697869 [0,2,0,0,0,0|2,0,0]=4 3931 B13R1.144 CC=Cc1ccc(cc1C)C(=O)N 271570a_100016259895_100011218126 [0,2,0,0,0,0|2,0,0]=4 3932 B13R1.144 CC=Cc1ccc(cc1F)C(=O)C 271570a_100016259895_100000690002 [0,2,0,0,0,0|2,0,0]=4 3933 B13R1.144 CC=Cc1ccc(cc1F)C(=O)N 271570a_100016259895_100000686215 [0,2,0,0,0,0|2,0,0]=4 3934 B13R1.144 CC=Cc1ccc(cc1N)C(=O)C 271570a_100016259895_100009816534 [0,2,0,0,0,0|2,0,0]=4 3935 B13R1.144 CC=Cc1ccc(cc1O)C(=O)N 271570a_100016259895_100012344895 [0,2,0,0,0,0|2,0,0]=4 3936 B13R1.144 CCCc1ccc(cc1Br)C(=O)C 1458a_200010235943_200000210301 [0,2,0,0,0,0|2,0,0]=4 3937 B13R1.144 CCCc1ccc(cc1Br)C(=O)[13CH3] 1458a_200010235943_200025704644 [0,2,0,0,0,0|2,0,0]=4 3938 B13R1.144 CCNc1ccc(cc1Br)C(=O)N 27a_100015525214_100009814583 [0,2,0,0,0,0|2,0,0]=4 3939 B13R1.144 CCNc1ccc(cc1C)C(=O)N 27a_100015525214_100011218126 [0,2,0,0,0,0|2,0,0]=4 3940 B13R1.144 CCNc1ccc(cc1C)C(=O)N 34a_100000746439_100000210202 [0,2,0,0,0,0|2,0,0]=4 3941 B13R1.144 CCNc1ccc(cc1C)C(=O)N 7a_100000746439_100000210202 [0,2,0,0,0,0|2,0,0]=4 3942 B13R1.144 CCNc1ccc(cc1F)C(=O)N 27a_100015525214_100000686215 [0,2,0,0,0,0|2,0,0]=4 3943 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 1458a_100000230806_200000210301 [0,2,0,0,0,0|1,0,0]=3 3944 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210202 [0,2,0,0,0,0|1,0,0]=3 3945 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210202 [0,2,0,0,0,0|1,0,0]=3 3946 B13R1.144 CCOc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000230806_200025704644 [0,2,0,0,0,0|1,0,0]=3 3947 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_100000210202 [0,2,0,0,0,0|1,0,1]=4 3948 B13R1.144 CCOc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_100000210202 [0,2,0,0,0,0|1,0,1]=4 3949 B13R1.144 CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210202 [0,2,0,0,0,0|1,0,0]=3 3950 B13R1.144 CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210202 [0,2,0,0,0,0|1,0,0]=3 3951 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_100000210202 [0,2,0,0,0,0|1,0,1]=4 3952 B13R1.144 CCOc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_100000210202 [0,2,0,0,0,0|1,0,1]=4 3953 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 1458a_100000230665_200000210301 [0,2,0,0,0,0|1,0,0]=3 3954 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210202 [0,2,0,0,0,0|1,0,0]=3 3955 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210202 [0,2,0,0,0,0|1,0,0]=3 3956 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210202 [0,2,0,0,0,0|1,0,0]=3 3957 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210202 [0,2,0,0,0,0|1,0,0]=3 3958 B13R1.144 CCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000230665_200025704644 [0,2,0,0,0,0|1,0,0]=3 3959 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_100000210202 [0,2,0,0,0,0|1,0,1]=4 3960 B13R1.144 CCOc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_100000210202 [0,2,0,0,0,0|1,0,1]=4 3961 B13R1.144 CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210202 [0,2,0,0,0,0|1,0,0]=3 3962 B13R1.144 CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210202 [0,2,0,0,0,0|1,0,0]=3 3963 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_100000210202 [0,2,0,0,0,0|1,0,1]=4 3964 B13R1.144 CCOc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_100000210202 [0,2,0,0,0,0|1,0,1]=4 3965 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_100000210202 [0,2,0,0,0,0|1,0,1]=4 3966 B13R1.144 CCOc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_100000210202 [0,2,0,0,0,0|1,0,1]=4 3967 B13R1.144 CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210202 [0,2,0,0,0,0|1,0,0]=3 3968 B13R1.144 CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210202 [0,2,0,0,0,0|1,0,0]=3 3969 B13R1.144 CCOc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_100000210202 [0,2,0,0,0,0|1,0,1]=4 3970 B13R1.144 CCOc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_100000210202 [0,2,0,0,0,0|1,0,1]=4 3971 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100000210202_100010146554 [0,2,0,0,0,0|1,1,0]=4 3972 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100010146554_100000210202 [0,2,0,0,0,0|1,1,0]=4 3973 B13R1.144 CCSc1ccc(cc1Br)C(=O)N 62a_100000210202_100009814583 [0,2,0,0,0,0|1,1,0]=4 3974 B13R1.144 CCSc1ccc(cc1Br)C(=O)N 62a_100009814583_100000210202 [0,2,0,0,0,0|1,1,0]=4 3975 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000210202_100000697869 [0,2,0,0,0,0|1,1,0]=4 3976 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000697869_100000210202 [0,2,0,0,0,0|1,1,0]=4 3977 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100000210202_100011218126 [0,2,0,0,0,0|1,1,0]=4 3978 B13R1.144 CCSc1ccc(cc1C)C(=O)N 62a_100011218126_100000210202 [0,2,0,0,0,0|1,1,0]=4 3979 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000210202_100000690002 [0,2,0,0,0,0|1,1,0]=4 3980 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000690002_100000210202 [0,2,0,0,0,0|1,1,0]=4 3981 B13R1.144 CCSc1ccc(cc1F)C(=O)N 62a_100000210202_100000686215 [0,2,0,0,0,0|1,1,0]=4 3982 B13R1.144 CCSc1ccc(cc1F)C(=O)N 62a_100000686215_100000210202 [0,2,0,0,0,0|1,1,0]=4 3983 B13R1.144 CCSc1ccc(cc1N)C(=O)C 62a_100009816534_100000210202 [0,2,0,0,0,0|1,1,0]=4 3984 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100000210202_100012344895 [0,2,0,0,0,0|1,1,0]=4 3985 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100012344895_100000210202 [0,2,0,0,0,0|1,1,0]=4 3986 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 2230a_106832991635_100010884425 [0,2,0,0,0,0|2,0,0]=4 3987 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 26a_100102657272_100011772453 [0,2,0,0,0,0|2,0,0]=4 3988 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 34a_100102657272_100010884425 [0,2,0,0,0,0|2,0,0]=4 3989 B13R1.144 CNCc1ccc(cc1Br)C(=O)C 7a_106832991635_100010884425 [0,2,0,0,0,0|2,0,0]=4 3990 B13R1.144 CNCc1ccc(cc1Cl)C(=O)C 26a_100102657272_100000188625 [0,2,0,0,0,0|2,0,0]=4 3991 B13R1.144 CNCc1ccc(cc1F)C(=O)C 26a_100102657272_100000751691 [0,2,0,0,0,0|2,0,0]=4 3992 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,2,0,0,0,0|1,0,0]=3 3993 B13R1.144 COCc1ccc(cc1Br)[N+](=O)[O-] 34a_100138415774_100000741879 [0,2,0,0,0,0|1,0,1]=4 3994 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 34a_100009883322_200000210301 [0,2,0,0,0,0|1,0,1]=4 3995 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 34a_100138415774_100010218038 [0,2,0,0,0,0|1,0,1]=4 3996 B13R1.144 COCc1ccc(cc1C)[N+](=O)[O-] 7a_100009883322_200000210301 [0,2,0,0,0,0|1,0,1]=4 3997 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_200000210301 [0,2,0,0,0,0|1,0,1]=4 3998 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100138415774_100000747184 [0,2,0,0,0,0|1,0,1]=4 3999 B13R1.144 COCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_200000210301 [0,2,0,0,0,0|1,0,1]=4 4000 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_200000210301 [0,2,0,0,0,0|1,0,1]=4 4001 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 34a_100138415774_100000759423 [0,2,0,0,0,0|1,0,1]=4 4002 B13R1.144 COCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_200000210301 [0,2,0,0,0,0|1,0,1]=4 4003 B13R1.144 COCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_200000210301 [0,2,0,0,0,0|1,0,1]=4 4004 B13R1.144 COCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_200000210301 [0,2,0,0,0,0|1,0,1]=4 4005 B13R1.144 CSCc1ccc(cc1Br)C(=O)C 62a_100010884425_200000210301 [0,2,0,0,0,0|1,1,0]=4 4006 B13R1.144 Cc1cc(ccc1CO[13CH3])[N+](=O)[O-] 34a_100009883322_200025704644 [0,2,0,0,0,0|1,0,1]=4 4007 B13R1.144 Cc1cc(ccc1CO[13CH3])[N+](=O)[O-] 7a_100009883322_200025704644 [0,2,0,0,0,0|1,0,1]=4 4008 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 34a_100000746439_100015361967 [0,2,0,0,0,0|2,0,0]=4 4009 B13R1.144 Cc1cc(ccc1NCF)C(=O)N 7a_100000746439_100015361967 [0,2,0,0,0,0|2,0,0]=4 4010 B13R1.144 Cc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000744956_100015361967 [0,2,0,0,0,0|1,0,1]=4 4011 B13R1.144 Cc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000744956_100015361967 [0,2,0,0,0,0|1,0,1]=4 4012 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100011218126_100015361967 [0,2,0,0,0,0|1,1,0]=4 4013 B13R1.144 Cc1cc(ccc1SCF)C(=O)N 62a_100015361967_100011218126 [0,2,0,0,0,0|1,1,0]=4 4014 B13R1.144 NC(=O)c1ccc(c(c1)Br)SCF 62a_100009814583_100015361967 [0,2,0,0,0,0|1,1,0]=4 4015 B13R1.144 NC(=O)c1ccc(c(c1)Br)SCF 62a_100015361967_100009814583 [0,2,0,0,0,0|1,1,0]=4 4016 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 34a_200000192832_100015361967 [0,2,0,0,0,0|1,0,0]=3 4017 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 7a_200000192832_100015361967 [0,2,0,0,0,0|1,0,0]=3 4018 B13R1.144 NC(=O)c1ccc(c(c1)F)SCF 62a_100000686215_100015361967 [0,2,0,0,0,0|1,1,0]=4 4019 B13R1.144 NC(=O)c1ccc(c(c1)F)SCF 62a_100015361967_100000686215 [0,2,0,0,0,0|1,1,0]=4 4020 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100012344895_100015361967 [0,2,0,0,0,0|1,1,0]=4 4021 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100015361967_100012344895 [0,2,0,0,0,0|1,1,0]=4 4022 B13R1.144 Nc1cc(ccc1OCF)[N+](=O)[O-] 34a_100000181223_100015361967 [0,2,0,0,0,0|1,0,1]=4 4023 B13R1.144 Nc1cc(ccc1OCF)[N+](=O)[O-] 7a_100000181223_100015361967 [0,2,0,0,0,0|1,0,1]=4 4024 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 34a_100000756651_100015361967 [0,2,0,0,0,0|1,0,1]=4 4025 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Br)OCF 7a_100000756651_100015361967 [0,2,0,0,0,0|1,0,1]=4 4026 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)OCF 34a_100000206008_100015361967 [0,2,0,0,0,0|1,0,1]=4 4027 B13R1.144 O=[N+]([O-])c1ccc(c(c1)Cl)OCF 7a_100000206008_100015361967 [0,2,0,0,0,0|1,0,1]=4 4028 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)OCF 34a_100000739697_100015361967 [0,2,0,0,0,0|1,0,1]=4 4029 B13R1.144 O=[N+]([O-])c1ccc(c(c1)F)OCF 7a_100000739697_100015361967 [0,2,0,0,0,0|1,0,1]=4 4030 B13R1.144 O=[N+]([O-])c1ccc(c(c1)I)OCF 34a_100012047213_100015361967 [0,2,0,0,0,0|1,0,1]=4 4031 B13R1.144 O=[N+]([O-])c1ccc(c(c1)I)OCF 7a_100012047213_100015361967 [0,2,0,0,0,0|1,0,1]=4 4032 B13R1.144 [13CH3]OCc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000694850_200025704644 [0,2,0,0,0,0|1,0,1]=4 4033 B13R1.144 [13CH3]OCc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000694850_200025704644 [0,2,0,0,0,0|1,0,1]=4 4034 B13R1.144 [13CH3]OCc1ccc(cc1F)[N+](=O)[O-] 34a_100012002375_200025704644 [0,2,0,0,0,0|1,0,1]=4 4035 B13R1.144 [13CH3]OCc1ccc(cc1F)[N+](=O)[O-] 7a_100012002375_200025704644 [0,2,0,0,0,0|1,0,1]=4 4036 B13R1.144 [13CH3]OCc1ccc(cc1I)[N+](=O)[O-] 7a_200010150283_200025704644 [0,2,0,0,0,0|1,0,1]=4 4037 B13R1.144 [13CH3]OCc1ccc(cc1N)[N+](=O)[O-] 34a_100011934201_200025704644 [0,2,0,0,0,0|1,0,1]=4 4038 B13R1.652 C=C(C)c1cc(c(cc1C)OC)C 271570a_100000694244_100000698960 [0,2,0,0,0,0|2,0,0]=4 4039 B13R1.652 C=C(C)c1cc(c(cc1C)OC)F 271570a_100000694244_100010074640 [0,2,0,0,0,0|2,0,0]=4 4040 B13R1.652 C=C(C)c1cc(c(cc1Cl)OC)N 271570a_100000694244_100011011177 [0,2,0,0,0,0|2,0,0]=4 4041 B13R1.652 C=C(C)c1cc(c(cc1F)OC)F 271570a_100000694244_100009813720 [0,2,0,0,0,0|2,0,0]=4 4042 B13R1.652 C=C(C)c1cc(c(cc1F)OC)N 271570a_100000694244_100012361397 [0,2,0,0,0,0|2,0,0]=4 4043 B13R1.652 C=C(C)c1cc(c(cc1N)OC)C 271570a_100000694244_100010244135 [0,2,0,0,0,0|2,0,0]=4 4044 B13R1.652 C=C(C)c1cc(c(cc1N)OC)F 271570a_100000694244_100010208193 [0,2,0,0,0,0|2,0,0]=4 4045 B13R1.652 CC(=O)c1cc(c(cc1F)S[13CH3])F 62a_100012024335_200025704644 [0,2,0,0,0,0|1,1,0]=4 4046 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])C 62a_100009816031_200025704644 [0,2,0,0,0,0|1,1,0]=4 4047 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])F 62a_200010245088_200025704644 [0,2,0,0,0,0|1,1,0]=4 4048 B13R1.652 CNc1cc(c(cc1F)C(=O)N)F 27a_100102657272_100010244962 [0,2,0,0,0,0|2,0,0]=4 4049 B13R1.652 COc1cc(c(cc1Br)C(=O)C)C 1458a_100010233827_200000210301 [0,2,0,0,0,0|1,0,0]=3 4050 B13R1.652 COc1cc(c(cc1Br)C(=O)C)F 1458a_100010270082_200000210301 [0,2,0,0,0,0|1,0,0]=3 4051 B13R1.652 COc1cc(c(cc1Br)C(=O)C)O 1458a_100009816734_200000210301 [0,2,0,0,0,0|1,0,0]=3 4052 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100010233827_200025704644 [0,2,0,0,0,0|1,0,0]=3 4053 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100010270082_200025704644 [0,2,0,0,0,0|1,0,0]=3 4054 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100009816734_200025704644 [0,2,0,0,0,0|1,0,0]=3 4055 B13R1.652 COc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_200000210301 [0,2,0,0,0,0|1,0,1]=4 4056 B13R1.652 COc1cc(c(cc1C)C(=O)C)C 1458a_100011996352_200000210301 [0,2,0,0,0,0|1,0,0]=3 4057 B13R1.652 COc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011996352_200025704644 [0,2,0,0,0,0|1,0,0]=3 4058 B13R1.652 COc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_200000210301 [0,2,0,0,0,0|1,0,1]=4 4059 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_200000210301 [0,2,0,0,0,0|1,0,1]=4 4060 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_200000210301 [0,2,0,0,0,0|1,0,1]=4 4061 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200000210301 [0,2,0,0,0,0|1,0,1]=4 4062 B13R1.652 COc1cc(c(cc1F)C(=O)C)F 1458a_100009861218_200000210301 [0,2,0,0,0,0|1,0,0]=3 4063 B13R1.652 COc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100009861218_200025704644 [0,2,0,0,0,0|1,0,0]=3 4064 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200000210301 [0,2,0,0,0,0|1,0,1]=4 4065 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200000210301 [0,2,0,0,0,0|1,0,1]=4 4066 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4067 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200000210301 [0,2,0,0,0,0|1,0,1]=4 4068 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200000210301 [0,2,0,0,0,0|1,0,1]=4 4069 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200000210301 [0,2,0,0,0,0|1,0,1]=4 4070 B13R1.652 COc1cc(c(cc1O)B(O)O)F 271570a_203496583355_200010749502 [0,2,0,0,0,0|1,0,1]=4 4071 B13R1.652 COc1cc(c(cc1O)C(=O)C)Br 1458a_100010074811_200000210301 [0,2,0,0,0,0|1,0,0]=3 4072 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,2,0,0,0,0|1,0,0]=3 4073 B13R1.652 COc1cc(c(cc1O)C(=O)[13CH3])Br 1458a_100010074811_200025704644 [0,2,0,0,0,0|1,0,0]=3 4074 B13R1.652 CSc1cc(c(cc1C)C(=O)C)O 62a_100009816031_200000210301 [0,2,0,0,0,0|1,1,0]=4 4075 B13R1.652 CSc1cc(c(cc1F)C(=O)C)F 62a_100012024335_200000210301 [0,2,0,0,0,0|1,1,0]=4 4076 B13R1.652 CSc1cc(c(cc1F)C(=O)C)O 62a_200010245088_200000210301 [0,2,0,0,0,0|1,1,0]=4 4077 B13R1.652 CSc1cc(c(cc1F)C(=O)N)F 62a_100010244962_200000210301 [0,2,0,0,0,0|1,1,0]=4 4078 B13R1.652 CSc1cc(c(cc1F)C(=O)N)F 62a_200000210301_100010244962 [0,2,0,0,0,0|1,1,0]=4 4079 B13R1.652 Cc1cc(c(cc1O[13CH3])C)[N+](=O)[O-] 7a_100000736305_200025704644 [0,2,0,0,0,0|1,0,1]=4 4080 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)O[13CH3] 7a_200012359939_200025704644 [0,2,0,0,0,0|1,0,1]=4 4081 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 34a_200000693809_200025704644 [0,2,0,0,0,0|1,0,1]=4 4082 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 7a_200000693809_200025704644 [0,2,0,0,0,0|1,0,1]=4 4083 B13R1.652 [13CH3]Oc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200025704644 [0,2,0,0,0,0|1,0,1]=4 4084 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200025704644 [0,2,0,0,0,0|1,0,1]=4 4085 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200025704644 [0,2,0,0,0,0|1,0,1]=4 4086 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4087 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200025704644 [0,2,0,0,0,0|1,0,1]=4 4088 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200025704644 [0,2,0,0,0,0|1,0,1]=4 4089 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200025704644 [0,2,0,0,0,0|1,0,1]=4 4090 B13R1.652 [13CH3]Sc1cc(c(cc1F)C(=O)N)F 62a_100010244962_200025704644 [0,2,0,0,0,0|1,1,0]=4 4091 B13R1.652 [13CH3]Sc1cc(c(cc1F)C(=O)N)F 62a_200025704644_100010244962 [0,2,0,0,0,0|1,1,0]=4 4092 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)C 1458a_200134618274_200000210301 [0,2,0,0,0,0|2,0,0]=4 4093 B13R1.3091 C#Cc1cc(ccc1CC)C(=O)[13CH3] 1458a_200134618274_200025704644 [0,2,0,0,0,0|2,0,0]=4 4094 B13R1.3091 C=C(C)c1ccc(c(c1)C#N)OC 271570a_100000694244_100000188252 [0,2,0,0,0,0|2,0,0]=4 4095 B13R1.3091 C=C(C)c1ccc(c(c1)C=O)OC 271570a_100000694244_100000170026 [0,2,0,0,0,0|2,0,0]=4 4096 B13R1.3091 C=C(C)c1ccc(c(c1)CC)OC 271570a_100000694244_200010179862 [0,2,0,0,0,0|2,0,0]=4 4097 B13R1.3091 C=C(C)c1ccc(c(c1)CN)OC 271570a_100000694244_100000690498 [0,2,0,0,0,0|2,0,0]=4 4098 B13R1.3091 C=C(C)c1ccc(c(c1)CO)OC 271570a_100000694244_100000204679 [0,2,0,0,0,0|2,0,0]=4 4099 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,2,0,0,0,0|2,0,0]=4 4100 B13R1.3091 C=C(C)c1ccc(c(c1)SC)OC 271570a_100000694244_200009892704 [0,2,0,0,0,0|2,0,0]=4 4101 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,2,0,0,0,0|1,0,0]=3 4102 B13R1.3091 C=Cc1cc(ccc1OC)C(C)O 271570a_100011290941_100000246541 [0,2,0,0,0,0|1,0,1]=4 4103 B13R1.3091 CC(=O)c1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100010125495 [0,2,0,0,0,0|1,1,0]=4 4104 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [0,2,0,0,0,0|1,0,0]=3 4105 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [0,2,0,0,0,0|1,0,0]=3 4106 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,2,0,0,0,0|1,0,0]=3 4107 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,2,0,0,0,0|1,0,0]=3 4108 B13R1.3091 CNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_200000210301 [0,2,0,0,0,0|1,0,1]=4 4109 B13R1.3091 CNc1ccc(cc1C#N)C(=O)C 27a_100102657272_100010125495 [0,2,0,0,0,0|2,0,0]=4 4110 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,2,0,0,0,0|2,0,0]=4 4111 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,2,0,0,0,0|2,0,0]=4 4112 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,2,0,0,0,0|2,0,0]=4 4113 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|1,0,0]=3 4114 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|1,0,0]=3 4115 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,2,0,0,0,0|1,0,1]=4 4116 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,2,0,0,0,0|1,0,1]=4 4117 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 4118 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 4119 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,2,0,0,0,0|1,1,0]=4 4120 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,2,0,0,0,0|1,1,0]=4 4121 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,2,0,0,0,0|1,1,0]=4 4122 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,2,0,0,0,0|1,1,0]=4 4123 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [0,2,0,0,0,0|1,0,0]=3 4124 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [0,2,0,0,0,0|1,0,0]=3 4125 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200000210301 [0,2,0,0,0,0|1,0,1]=4 4126 B13R1.3091 COc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200000210301 [0,2,0,0,0,0|1,0,1]=4 4127 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200000210301 [0,2,0,0,0,0|1,0,1]=4 4128 B13R1.3091 COc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200000210301 [0,2,0,0,0,0|1,0,1]=4 4129 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [0,2,0,0,0,0|1,0,0]=3 4130 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [0,2,0,0,0,0|1,0,0]=3 4131 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,2,0,0,0,0|1,0,0]=3 4132 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200000210301 [0,2,0,0,0,0|1,0,1]=4 4133 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200000210301 [0,2,0,0,0,0|1,0,1]=4 4134 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,2,0,0,0,0|1,0,0]=3 4135 B13R1.3091 COc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000738153_200025704644 [0,2,0,0,0,0|1,0,1]=4 4136 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|1,0,0]=3 4137 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|1,0,0]=3 4138 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|1,0,0]=3 4139 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|1,0,0]=3 4140 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|1,0,0]=3 4141 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|1,0,0]=3 4142 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,2,0,0,0,0|1,0,1]=4 4143 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,2,0,0,0,0|1,0,1]=4 4144 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 4145 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 4146 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 4147 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 4148 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|1,0,0]=3 4149 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|1,0,0]=3 4150 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 4151 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 4152 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,2,0,0,0,0|1,0,0]=3 4153 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,2,0,0,0,0|1,0,0]=3 4154 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_100000246541_200000210301 [0,2,0,0,0,0|1,0,1]=4 4155 B13R1.3091 COc1ccc(cc1SC)C(C)O 62a_200000210301_100000246541 [0,2,0,0,0,0|1,0,1]=4 4156 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,2,0,0,0,0|1,0,0]=3 4157 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,2,0,0,0,0|1,0,0]=3 4158 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_100000246541_200025704644 [0,2,0,0,0,0|1,0,1]=4 4159 B13R1.3091 COc1ccc(cc1S[13CH3])C(C)O 62a_200025704644_100000246541 [0,2,0,0,0,0|1,0,1]=4 4160 B13R1.3091 CSc1ccc(cc1C#N)C(=O)C 62a_200000210301_100010125495 [0,2,0,0,0,0|1,1,0]=4 4161 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 34a_100000742360_200025704644 [0,2,0,0,0,0|1,0,1]=4 4162 B13R1.3091 [13CH3]Oc1ccc(cc1C#N)[N+](=O)[O-] 7a_100000742360_200025704644 [0,2,0,0,0,0|1,0,1]=4 4163 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 34a_200009813932_200025704644 [0,2,0,0,0,0|1,0,1]=4 4164 B13R1.3091 [13CH3]Oc1ccc(cc1CBr)[N+](=O)[O-] 7a_200009813932_200025704644 [0,2,0,0,0,0|1,0,1]=4 4165 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200025704644 [0,2,0,0,0,0|1,0,1]=4 4166 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200025704644 [0,2,0,0,0,0|1,0,1]=4 4167 B13R1.3096 C=C(C)c1ccc(c(c1C)C)OC 271570a_100000694244_100000049725 [0,2,0,0,0,0|2,0,0]=4 4168 B13R1.3096 C=C(C)c1ccc(c(c1F)F)OC 271570a_100000694244_100009816879 [0,2,0,0,0,0|2,0,0]=4 4169 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_100010174444_200025704644 [0,2,0,0,0,0|1,1,0]=4 4170 B13R1.3096 CC(=O)c1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010174444 [0,2,0,0,0,0|1,1,0]=4 4171 B13R1.3096 COc1ccc(c(c1C)C)C(=O)C 1458a_200000082569_200000210301 [0,2,0,0,0,0|1,0,0]=3 4172 B13R1.3096 COc1ccc(c(c1C)C)C(=O)[13CH3] 1458a_200000082569_200025704644 [0,2,0,0,0,0|1,0,0]=3 4173 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 34a_100011217262_200000210301 [0,2,0,0,0,0|1,0,1]=4 4174 B13R1.3096 COc1ccc(c(c1C)C)[N+](=O)[O-] 7a_100011217262_200000210301 [0,2,0,0,0,0|1,0,1]=4 4175 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200000210301 [0,2,0,0,0,0|1,0,1]=4 4176 B13R1.3096 COc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200000210301 [0,2,0,0,0,0|1,0,1]=4 4177 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200000210301 [0,2,0,0,0,0|1,0,1]=4 4178 B13R1.3096 COc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200000210301 [0,2,0,0,0,0|1,0,1]=4 4179 B13R1.3096 COc1ccc(c(c1F)F)C(=O)C 1458a_100000061877_200000210301 [0,2,0,0,0,0|1,0,0]=3 4180 B13R1.3096 COc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100000061877_200025704644 [0,2,0,0,0,0|1,0,0]=3 4181 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200000210301 [0,2,0,0,0,0|1,0,1]=4 4182 B13R1.3096 COc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200000210301 [0,2,0,0,0,0|1,0,1]=4 4183 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [0,2,0,0,0,0|1,0,0]=3 4184 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,2,0,0,0,0|1,0,0]=3 4185 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,2,0,0,0,0|1,0,0]=3 4186 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_100010174444_200000210301 [0,2,0,0,0,0|1,1,0]=4 4187 B13R1.3096 CSc1ccc(c(c1F)F)C(=O)C 62a_200000210301_100010174444 [0,2,0,0,0,0|1,1,0]=4 4188 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 34a_100011217262_200025704644 [0,2,0,0,0,0|1,0,1]=4 4189 B13R1.3096 Cc1c(ccc(c1C)[N+](=O)[O-])O[13CH3] 7a_100011217262_200025704644 [0,2,0,0,0,0|1,0,1]=4 4190 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 34a_200012362477_200025704644 [0,2,0,0,0,0|1,0,1]=4 4191 B13R1.3096 [13CH3]Oc1ccc(c(c1Cl)Cl)[N+](=O)[O-] 7a_200012362477_200025704644 [0,2,0,0,0,0|1,0,1]=4 4192 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 34a_100015974733_200025704644 [0,2,0,0,0,0|1,0,1]=4 4193 B13R1.3096 [13CH3]Oc1ccc(c(c1F)Cl)[N+](=O)[O-] 7a_100015974733_200025704644 [0,2,0,0,0,0|1,0,1]=4 4194 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 34a_100012186193_200025704644 [0,2,0,0,0,0|1,0,1]=4 4195 B13R1.3096 [13CH3]Oc1ccc(c(c1F)F)[N+](=O)[O-] 7a_100012186193_200025704644 [0,2,0,0,0,0|1,0,1]=4 4196 B13R1.3380 C=C(C)c1cc(c(c(c1)Br)OC)C 271570a_100000694244_100010997178 [0,2,0,0,0,0|2,0,0]=4 4197 B13R1.3380 C=C(C)c1cc(c(c(c1)C)OC)C 271570a_100000694244_100000211903 [0,2,0,0,0,0|2,0,0]=4 4198 B13R1.3380 C=C(C)c1cc(c(c(c1)Cl)OC)Cl 271570a_100000694244_200010110313 [0,2,0,0,0,0|2,0,0]=4 4199 B13R1.3380 C=C(C)c1cc(c(c(c1)F)OC)F 271570a_100000694244_100009813559 [0,2,0,0,0,0|2,0,0]=4 4200 B13R1.3380 C=C(C)c1cc(c(c(c1)F)OC)N 271570a_100000694244_200010245146 [0,2,0,0,0,0|2,0,0]=4 4201 B13R1.3380 CC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 7a_100000186470_200025704644 [0,2,0,0,0,0|1,0,0]=3 4202 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 34a_100011934020_200025704644 [0,2,0,0,0,0|1,0,0]=3 4203 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 7a_100011934020_200025704644 [0,2,0,0,0,0|1,0,0]=3 4204 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 34a_100012337704_200025704644 [0,2,0,0,0,0|1,0,0]=3 4205 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 7a_100012337704_200025704644 [0,2,0,0,0,0|1,0,0]=3 4206 B13R1.3380 CC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_100010371124_200025704644 [0,2,0,0,0,0|1,1,0]=4 4207 B13R1.3380 CC(=O)c1cc(c(c(c1)F)S[13CH3])F 62a_200025704644_100010371124 [0,2,0,0,0,0|1,1,0]=4 4208 B13R1.3380 CNc1c(cc(cc1C)C(=O)N)C 34a_100000068766_200000210301 [0,2,0,0,0,0|2,0,0]=4 4209 B13R1.3380 CNc1c(cc(cc1C)C(=O)N)C 7a_100000068766_200000210301 [0,2,0,0,0,0|2,0,0]=4 4210 B13R1.3380 CNc1c(cc(cc1Cl)C(=O)N)F 34a_200010988576_200000210301 [0,2,0,0,0,0|2,0,0]=4 4211 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 1458a_100012337705_200000210301 [0,2,0,0,0,0|1,0,0]=3 4212 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 7a_100000186470_200000210301 [0,2,0,0,0,0|1,0,0]=3 4213 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)O 1458a_100010760816_200000210301 [0,2,0,0,0,0|1,0,0]=3 4214 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100012337705_200025704644 [0,2,0,0,0,0|1,0,0]=3 4215 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])O 1458a_100010760816_200025704644 [0,2,0,0,0,0|1,0,0]=3 4216 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_200000210301 [0,2,0,0,0,0|1,0,1]=4 4217 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])C 34a_100010889268_200000210301 [0,2,0,0,0,0|1,0,1]=4 4218 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])C 7a_100010889268_200000210301 [0,2,0,0,0,0|1,0,1]=4 4219 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_200000210301 [0,2,0,0,0,0|1,0,1]=4 4220 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_200000210301 [0,2,0,0,0,0|1,0,1]=4 4221 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4222 B13R1.3380 COc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_200000210301 [0,2,0,0,0,0|1,0,1]=4 4223 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 1458a_100000696790_200000210301 [0,2,0,0,0,0|1,0,0]=3 4224 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 34a_100011934020_200000210301 [0,2,0,0,0,0|1,0,0]=3 4225 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 7a_100011934020_200000210301 [0,2,0,0,0,0|1,0,0]=3 4226 B13R1.3380 COc1c(cc(cc1C)C(=O)[13CH3])C 1458a_100000696790_200025704644 [0,2,0,0,0,0|1,0,0]=3 4227 B13R1.3380 COc1c(cc(cc1C)[N+](=O)[O-])C 34a_100011217877_200000210301 [0,2,0,0,0,0|1,0,1]=4 4228 B13R1.3380 COc1c(cc(cc1C)[N+](=O)[O-])C 7a_100011217877_200000210301 [0,2,0,0,0,0|1,0,1]=4 4229 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 1458a_100000013545_200000210301 [0,2,0,0,0,0|1,0,0]=3 4230 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 34a_100012337704_200000210301 [0,2,0,0,0,0|1,0,0]=3 4231 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 7a_100012337704_200000210301 [0,2,0,0,0,0|1,0,0]=3 4232 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)F 1458a_100011356498_200000210301 [0,2,0,0,0,0|1,0,0]=3 4233 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100000013545_200025704644 [0,2,0,0,0,0|1,0,0]=3 4234 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])F 1458a_100011356498_200025704644 [0,2,0,0,0,0|1,0,0]=3 4235 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_200000210301 [0,2,0,0,0,0|1,0,1]=4 4236 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_200000210301 [0,2,0,0,0,0|1,0,1]=4 4237 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_200000210301 [0,2,0,0,0,0|1,0,1]=4 4238 B13R1.3380 COc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_200000210301 [0,2,0,0,0,0|1,0,1]=4 4239 B13R1.3380 COc1c(cc(cc1F)C(=O)C)F 1458a_100011216840_200000210301 [0,2,0,0,0,0|1,0,0]=3 4240 B13R1.3380 COc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100011216840_200025704644 [0,2,0,0,0,0|1,0,0]=3 4241 B13R1.3380 COc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_200000210301 [0,2,0,0,0,0|1,0,1]=4 4242 B13R1.3380 COc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_200000210301 [0,2,0,0,0,0|1,0,1]=4 4243 B13R1.3380 COc1c(cc(cc1I)C(=O)C)F 1458a_100012920440_200000210301 [0,2,0,0,0,0|1,0,0]=3 4244 B13R1.3380 COc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012920440_200025704644 [0,2,0,0,0,0|1,0,0]=3 4245 B13R1.3380 COc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_200000210301 [0,2,0,0,0,0|1,0,1]=4 4246 B13R1.3380 COc1c(cc(cc1O)C(=O)C)O 1458a_100000073573_200000210301 [0,2,0,0,0,0|1,0,0]=3 4247 B13R1.3380 COc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000073573_200025704644 [0,2,0,0,0,0|1,0,0]=3 4248 B13R1.3380 CSc1c(cc(cc1C)C(=O)N)C 62a_200000210301_200009816865 [0,2,0,0,0,0|1,1,0]=4 4249 B13R1.3380 CSc1c(cc(cc1C)C(=O)N)C 62a_200009816865_200000210301 [0,2,0,0,0,0|1,1,0]=4 4250 B13R1.3380 CSc1c(cc(cc1F)C(=O)C)F 62a_100010371124_200000210301 [0,2,0,0,0,0|1,1,0]=4 4251 B13R1.3380 CSc1c(cc(cc1F)C(=O)C)F 62a_200000210301_100010371124 [0,2,0,0,0,0|1,1,0]=4 4252 B13R1.3380 CSc1c(cc(cc1O)C(=O)N)O 62a_200000210301_200009814324 [0,2,0,0,0,0|1,1,0]=4 4253 B13R1.3380 CSc1c(cc(cc1O)C(=O)N)O 62a_200009814324_200000210301 [0,2,0,0,0,0|1,1,0]=4 4254 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)C(=O)N 34a_100000068766_200025704644 [0,2,0,0,0,0|2,0,0]=4 4255 B13R1.3380 Cc1cc(cc(c1N[13CH3])C)C(=O)N 7a_100000068766_200025704644 [0,2,0,0,0,0|2,0,0]=4 4256 B13R1.3380 Cc1cc(cc(c1O[13CH3])Br)[N+](=O)[O-] 34a_100010889268_200025704644 [0,2,0,0,0,0|1,0,1]=4 4257 B13R1.3380 Cc1cc(cc(c1O[13CH3])Br)[N+](=O)[O-] 7a_100010889268_200025704644 [0,2,0,0,0,0|1,0,1]=4 4258 B13R1.3380 Cc1cc(cc(c1O[13CH3])C)[N+](=O)[O-] 34a_100011217877_200025704644 [0,2,0,0,0,0|1,0,1]=4 4259 B13R1.3380 Cc1cc(cc(c1O[13CH3])C)[N+](=O)[O-] 7a_100011217877_200025704644 [0,2,0,0,0,0|1,0,1]=4 4260 B13R1.3380 Cc1cc(cc(c1S[13CH3])C)C(=O)N 62a_200009816865_200025704644 [0,2,0,0,0,0|1,1,0]=4 4261 B13R1.3380 Cc1cc(cc(c1S[13CH3])C)C(=O)N 62a_200025704644_200009816865 [0,2,0,0,0,0|1,1,0]=4 4262 B13R1.3380 [13CH3]Nc1c(cc(cc1Cl)C(=O)N)F 34a_200010988576_200025704644 [0,2,0,0,0,0|2,0,0]=4 4263 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Br 7a_100000184107_200025704644 [0,2,0,0,0,0|1,0,1]=4 4264 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Cl 34a_100010769427_200025704644 [0,2,0,0,0,0|1,0,1]=4 4265 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])Cl 7a_100010769427_200025704644 [0,2,0,0,0,0|1,0,1]=4 4266 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])F 34a_200011830256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4267 B13R1.3380 [13CH3]Oc1c(cc(cc1Br)[N+](=O)[O-])F 7a_200011830256_200025704644 [0,2,0,0,0,0|1,0,1]=4 4268 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])Cl 34a_100000211554_200025704644 [0,2,0,0,0,0|1,0,1]=4 4269 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])Cl 7a_100000211554_200025704644 [0,2,0,0,0,0|1,0,1]=4 4270 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])N 34a_100000029776_200025704644 [0,2,0,0,0,0|1,0,1]=4 4271 B13R1.3380 [13CH3]Oc1c(cc(cc1Cl)[N+](=O)[O-])N 7a_100000029776_200025704644 [0,2,0,0,0,0|1,0,1]=4 4272 B13R1.3380 [13CH3]Oc1c(cc(cc1F)[N+](=O)[O-])F 34a_100011219396_200025704644 [0,2,0,0,0,0|1,0,1]=4 4273 B13R1.3380 [13CH3]Oc1c(cc(cc1F)[N+](=O)[O-])F 7a_100011219396_200025704644 [0,2,0,0,0,0|1,0,1]=4 4274 B13R1.3380 [13CH3]Oc1c(cc(cc1I)[N+](=O)[O-])I 7a_100000032127_200025704644 [0,2,0,0,0,0|1,0,1]=4 4275 B13R1.3380 [13CH3]Sc1c(cc(cc1O)C(=O)N)O 62a_200009814324_200025704644 [0,2,0,0,0,0|1,1,0]=4 4276 B13R1.3380 [13CH3]Sc1c(cc(cc1O)C(=O)N)O 62a_200025704644_200009814324 [0,2,0,0,0,0|1,1,0]=4 4277 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 27a_100000212058_100000162191 [0,2,0,0,0,0|2,0,0]=4 4278 B13R1.74 C#CCNc1ccc(cc1)C(=O)N 34a_100000210537_100000184674 [0,2,0,0,0,0|2,0,0]=4 4279 B13R1.74 C#CCOc1ccc(cc1)C(=C)C 34a_100009880102_100000184674 [0,2,0,0,0,0|2,0,0]=4 4280 B13R1.74 C#CCOc1ccc(cc1)C(=C)C 7a_100009880102_100000038162 [0,2,0,0,0,0|2,0,0]=4 4281 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 34a_100000185113_100000184674 [0,2,0,0,0,0|1,0,0]=3 4282 B13R1.74 C#CCOc1ccc(cc1)C(=O)C 7a_100000185113_100000038162 [0,2,0,0,0,0|1,0,0]=3 4283 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 34a_100000746352_100000184674 [0,2,0,0,0,0|1,0,0]=3 4284 B13R1.74 C#CCOc1ccc(cc1)C(=O)N 7a_100000746352_100000038162 [0,2,0,0,0,0|1,0,0]=3 4285 B13R1.74 C#CCOc1ccc(cc1)C(C)O 34a_100000754508_100000184674 [0,2,0,0,0,0|1,0,1]=4 4286 B13R1.74 C#CCOc1ccc(cc1)C(C)O 7a_100000754508_100000038162 [0,2,0,0,0,0|1,0,1]=4 4287 B13R1.74 C#CCOc1ccc(cc1)S(=O)C 34a_200000064373_100000184674 [0,2,0,0,0,0|2,0,0]=4 4288 B13R1.74 C#CCOc1ccc(cc1)S(=O)C 7a_200000064373_100000038162 [0,2,0,0,0,0|2,0,0]=4 4289 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000184674 [0,2,0,0,0,0|1,0,1]=4 4290 B13R1.74 C#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000038162 [0,2,0,0,0,0|1,0,1]=4 4291 B13R1.74 C#CCOc1ccc(nc1)C(=O)C 34a_100012001710_100000184674 [0,2,0,0,0,0|2,0,0]=4 4292 B13R1.74 C#CCOc1ccc(nc1)C(=O)C 7a_100012001710_100000038162 [0,2,0,0,0,0|2,0,0]=4 4293 B13R1.74 C#CCSc1ccc(cc1)C(=O)C 62a_100000038162_100000185465 [0,2,0,0,0,0|1,1,0]=4 4294 B13R1.74 C#CCSc1ccc(cc1)C(=O)N 62a_100000038162_100000162191 [0,2,0,0,0,0|1,1,0]=4 4295 B13R1.74 C=C(C)c1ccc(cc1)C=COC 271570a_100000694244_100020630460 [0,2,0,0,0,0|2,0,0]=4 4296 B13R1.74 C=C(C)c1ccc(cc1)CCOC 271570a_100000694244_100000739703 [0,2,0,0,0,0|2,0,0]=4 4297 B13R1.74 C=C(C)c1ccc(cc1)COCC 271570a_100000694244_100000758564 [0,2,0,0,0,0|2,0,0]=4 4298 B13R1.74 C=C(C)c1ccc(cc1)OCC#N 271570a_100000694244_200000169425 [0,2,0,0,0,0|2,0,0]=4 4299 B13R1.74 C=C(C)c1ccc(cc1)OCC#N 7a_100009880102_100011215382 [0,2,0,0,0,0|2,0,0]=4 4300 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 34a_100009880102_200009817547 [0,2,0,0,0,0|2,0,0]=4 4301 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 7a_100009880102_200015260668 [0,2,0,0,0,0|2,0,0]=4 4302 B13R1.74 C=C(C)c1ccc(cc1)OCCC 271570a_100000694244_100000169948 [0,2,0,0,0,0|2,0,0]=4 4303 B13R1.74 C=C(C)c1ccc(cc1)OCCC 34a_100009880102_100000210303 [0,2,0,0,0,0|2,0,0]=4 4304 B13R1.74 C=C(C)c1ccc(cc1)OCCC 7a_100009880102_100000210303 [0,2,0,0,0,0|2,0,0]=4 4305 B13R1.74 C=C(C)c1ccc(cc1)OCCF 271570a_100000694244_100012347556 [0,2,0,0,0,0|2,0,0]=4 4306 B13R1.74 C=C(C)c1ccc(cc1)OCCF 34a_100009880102_100011217306 [0,2,0,0,0,0|2,0,0]=4 4307 B13R1.74 C=C(C)c1ccc(cc1)OCCF 7a_100009880102_100011217306 [0,2,0,0,0,0|2,0,0]=4 4308 B13R1.74 C=C(C)c1ccc(cc1)OCCN 271570a_100000694244_100000746992 [0,2,0,0,0,0|2,0,0]=4 4309 B13R1.74 C=C(C)c1ccc(cc1)OCCO 271570a_100000694244_100000686261 [0,2,0,0,0,0|2,0,0]=4 4310 B13R1.74 C=C(C)c1ccc(cc1)OCCO 34a_100009880102_100000211926 [0,2,0,0,0,0|2,0,0]=4 4311 B13R1.74 C=C(C)c1ccc(cc1)OCCO 7a_100009880102_100000211926 [0,2,0,0,0,0|2,0,0]=4 4312 B13R1.74 C=C(C)c1ccc(cc1)OCOC 271570a_100000694244_100012265687 [0,2,0,0,0,0|2,0,0]=4 4313 B13R1.74 C=C(C)c1ccc(cc1)OCSC 34a_100009880102_100011218213 [0,2,0,0,0,0|2,0,0]=4 4314 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000185454_100000766300 [0,2,0,0,0,0|2,0,0]=4 4315 B13R1.74 C=C(C)c1ccc(cc1)SCOC 62a_100000766300_100000185454 [0,2,0,0,0,0|2,0,0]=4 4316 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 27a_100020586998_100000162191 [0,2,0,0,0,0|2,0,0]=4 4317 B13R1.74 C=CCNc1ccc(cc1)C(=O)N 34a_100000210537_100015514636 [0,2,0,0,0,0|2,0,0]=4 4318 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 271570a_100000694244_100000172055 [0,2,0,0,0,0|2,0,0]=4 4319 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 34a_100009880102_100015514636 [0,2,0,0,0,0|2,0,0]=4 4320 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 7a_100009880102_100015514636 [0,2,0,0,0,0|2,0,0]=4 4321 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 1458a_100000216320_200000210301 [0,2,0,0,0,0|1,0,0]=3 4322 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 34a_100000185113_100015514636 [0,2,0,0,0,0|1,0,0]=3 4323 B13R1.74 C=CCOc1ccc(cc1)C(=O)C 7a_100000185113_100015514636 [0,2,0,0,0,0|1,0,0]=3 4324 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 34a_100000746352_100015514636 [0,2,0,0,0,0|1,0,0]=3 4325 B13R1.74 C=CCOc1ccc(cc1)C(=O)N 7a_100000746352_100015514636 [0,2,0,0,0,0|1,0,0]=3 4326 B13R1.74 C=CCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000216320_200025704644 [0,2,0,0,0,0|1,0,0]=3 4327 B13R1.74 C=CCOc1ccc(cc1)C(C)O 34a_100000754508_100015514636 [0,2,0,0,0,0|1,0,1]=4 4328 B13R1.74 C=CCOc1ccc(cc1)C(C)O 7a_100000754508_100015514636 [0,2,0,0,0,0|1,0,1]=4 4329 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 34a_200000064373_100015514636 [0,2,0,0,0,0|2,0,0]=4 4330 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 7a_200000064373_100015514636 [0,2,0,0,0,0|2,0,0]=4 4331 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100015514636 [0,2,0,0,0,0|1,0,1]=4 4332 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100015514636 [0,2,0,0,0,0|1,0,1]=4 4333 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 34a_100012001710_100015514636 [0,2,0,0,0,0|2,0,0]=4 4334 B13R1.74 C=CCOc1ccc(nc1)C(=O)C 7a_100012001710_100015514636 [0,2,0,0,0,0|2,0,0]=4 4335 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210623 [0,2,0,0,0,0|1,1,0]=4 4336 B13R1.74 C=CCSc1ccc(cc1)C(=O)C 62a_100000210623_100000185465 [0,2,0,0,0,0|1,1,0]=4 4337 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210623 [0,2,0,0,0,0|1,1,0]=4 4338 B13R1.74 C=CCSc1ccc(cc1)C(=O)N 62a_100000210623_100000162191 [0,2,0,0,0,0|1,1,0]=4 4339 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200000038727_200025704644 [0,2,0,0,0,0|1,1,0]=4 4340 B13R1.74 CC(=O)c1ccc(cc1)CCS[13CH3] 62a_200025704644_200000038727 [0,2,0,0,0,0|1,1,0]=4 4341 B13R1.74 CC(=O)c1ccc(cc1)COCF 7a_100000082505_100015361967 [0,2,0,0,0,0|1,0,0]=3 4342 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100000756337_100015361967 [0,2,0,0,0,0|1,1,0]=4 4343 B13R1.74 CC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000756337 [0,2,0,0,0,0|1,1,0]=4 4344 B13R1.74 CC(=O)c1ccc(cc1)OCC#N 7a_100000185113_100011215382 [0,2,0,0,0,0|1,0,0]=3 4345 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 34a_100000185113_200009817547 [0,2,0,0,0,0|1,0,0]=3 4346 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 7a_100000185113_200015260668 [0,2,0,0,0,0|1,0,0]=3 4347 B13R1.74 CC(=O)c1ccc(cc1)OCCF 34a_100000185113_100011217306 [0,2,0,0,0,0|1,0,0]=3 4348 B13R1.74 CC(=O)c1ccc(cc1)OCCF 7a_100000185113_100011217306 [0,2,0,0,0,0|1,0,0]=3 4349 B13R1.74 CC(=O)c1ccc(cc1)OCCO 1458a_100000217286_200000210301 [0,2,0,0,0,0|1,0,0]=3 4350 B13R1.74 CC(=O)c1ccc(cc1)OCCO 34a_100000185113_100000211926 [0,2,0,0,0,0|1,0,0]=3 4351 B13R1.74 CC(=O)c1ccc(cc1)OCCO 7a_100000185113_100000211926 [0,2,0,0,0,0|1,0,0]=3 4352 B13R1.74 CC(=O)c1ccc(cc1)SCC#N 62a_100000185465_100011215382 [0,2,0,0,0,0|1,1,0]=4 4353 B13R1.74 CC(=O)c1ccc(cc1)SCC#N 62a_100011215382_100000185465 [0,2,0,0,0,0|1,1,0]=4 4354 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_100000185465_200015260668 [0,2,0,0,0,0|1,1,0]=4 4355 B13R1.74 CC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000185465 [0,2,0,0,0,0|1,1,0]=4 4356 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100000185465_100011217306 [0,2,0,0,0,0|1,1,0]=4 4357 B13R1.74 CC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000185465 [0,2,0,0,0,0|1,1,0]=4 4358 B13R1.74 CC(=O)c1ccc(cc1)SCCO 1458a_200000182347_200000210301 [0,2,0,0,0,0|1,1,0]=4 4359 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000185465_100000211926 [0,2,0,0,0,0|1,1,0]=4 4360 B13R1.74 CC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000185465 [0,2,0,0,0,0|1,1,0]=4 4361 B13R1.74 CC(=O)c1ccc(cn1)OCC#N 7a_100012001710_100011215382 [0,2,0,0,0,0|2,0,0]=4 4362 B13R1.74 CC(=O)c1ccc(cn1)OCC=O 34a_100012001710_200009817547 [0,2,0,0,0,0|2,0,0]=4 4363 B13R1.74 CC(=O)c1ccc(cn1)OCC=O 7a_100012001710_200015260668 [0,2,0,0,0,0|2,0,0]=4 4364 B13R1.74 CC(=O)c1ccc(cn1)OCCF 34a_100012001710_100011217306 [0,2,0,0,0,0|2,0,0]=4 4365 B13R1.74 CC(=O)c1ccc(cn1)OCCF 7a_100012001710_100011217306 [0,2,0,0,0,0|2,0,0]=4 4366 B13R1.74 CC(=O)c1ccc(cn1)OCCO 34a_100012001710_100000211926 [0,2,0,0,0,0|2,0,0]=4 4367 B13R1.74 CC(=O)c1ccc(cn1)OCCO 7a_100012001710_100000211926 [0,2,0,0,0,0|2,0,0]=4 4368 B13R1.74 CC(O)c1ccc(cc1)OCC#N 7a_100000754508_100011215382 [0,2,0,0,0,0|1,0,1]=4 4369 B13R1.74 CC(O)c1ccc(cc1)OCC=O 34a_100000754508_200009817547 [0,2,0,0,0,0|1,0,1]=4 4370 B13R1.74 CC(O)c1ccc(cc1)OCC=O 7a_100000754508_200015260668 [0,2,0,0,0,0|1,0,1]=4 4371 B13R1.74 CC(O)c1ccc(cc1)OCCF 34a_100000754508_100011217306 [0,2,0,0,0,0|1,0,1]=4 4372 B13R1.74 CC(O)c1ccc(cc1)OCCF 7a_100000754508_100011217306 [0,2,0,0,0,0|1,0,1]=4 4373 B13R1.74 CC(O)c1ccc(cc1)OCCO 34a_100000754508_100000211926 [0,2,0,0,0,0|1,0,1]=4 4374 B13R1.74 CC(O)c1ccc(cc1)OCCO 7a_100000754508_100000211926 [0,2,0,0,0,0|1,0,1]=4 4375 B13R1.74 CCCCc1ccc(cc1)C(=O)C 1458a_100000186158_200000210301 [0,2,0,0,0,0|2,0,0]=4 4376 B13R1.74 CCCCc1ccc(cc1)C(=O)C 271570a_100020621405_100000185465 [0,2,0,0,0,0|2,0,0]=4 4377 B13R1.74 CCCCc1ccc(cc1)C(=O)N 271570a_100020621405_100000162191 [0,2,0,0,0,0|2,0,0]=4 4378 B13R1.74 CCCCc1ccc(cc1)C(=O)[13CH3] 1458a_100000186158_200025704644 [0,2,0,0,0,0|2,0,0]=4 4379 B13R1.74 CCCNc1ccc(cc1)C(=O)N 34a_100000210537_100000210303 [0,2,0,0,0,0|2,0,0]=4 4380 B13R1.74 CCCOc1ccc(cc1)C(=O)C 1458a_100000182924_200000210301 [0,2,0,0,0,0|1,0,0]=3 4381 B13R1.74 CCCOc1ccc(cc1)C(=O)C 34a_100000185113_100000210303 [0,2,0,0,0,0|1,0,0]=3 4382 B13R1.74 CCCOc1ccc(cc1)C(=O)C 7a_100000185113_100000210303 [0,2,0,0,0,0|1,0,0]=3 4383 B13R1.74 CCCOc1ccc(cc1)C(=O)N 34a_100000746352_100000210303 [0,2,0,0,0,0|1,0,0]=3 4384 B13R1.74 CCCOc1ccc(cc1)C(=O)N 7a_100000746352_100000210303 [0,2,0,0,0,0|1,0,0]=3 4385 B13R1.74 CCCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000182924_200025704644 [0,2,0,0,0,0|1,0,0]=3 4386 B13R1.74 CCCOc1ccc(cc1)C(C)O 34a_100000754508_100000210303 [0,2,0,0,0,0|1,0,1]=4 4387 B13R1.74 CCCOc1ccc(cc1)C(C)O 7a_100000754508_100000210303 [0,2,0,0,0,0|1,0,1]=4 4388 B13R1.74 CCCOc1ccc(cc1)S(=O)C 34a_200000064373_100000210303 [0,2,0,0,0,0|2,0,0]=4 4389 B13R1.74 CCCOc1ccc(cc1)S(=O)C 7a_200000064373_100000210303 [0,2,0,0,0,0|2,0,0]=4 4390 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100000210303 [0,2,0,0,0,0|1,0,1]=4 4391 B13R1.74 CCCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100000210303 [0,2,0,0,0,0|1,0,1]=4 4392 B13R1.74 CCCOc1ccc(nc1)C(=O)C 34a_100012001710_100000210303 [0,2,0,0,0,0|2,0,0]=4 4393 B13R1.74 CCCOc1ccc(nc1)C(=O)C 7a_100012001710_100000210303 [0,2,0,0,0,0|2,0,0]=4 4394 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000185465_100000210303 [0,2,0,0,0,0|1,1,0]=4 4395 B13R1.74 CCCSc1ccc(cc1)C(=O)C 62a_100000210303_100000185465 [0,2,0,0,0,0|1,1,0]=4 4396 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000162191_100000210303 [0,2,0,0,0,0|1,1,0]=4 4397 B13R1.74 CCCSc1ccc(cc1)C(=O)N 62a_100000210303_100000162191 [0,2,0,0,0,0|1,1,0]=4 4398 B13R1.74 CCNCc1ccc(cc1)C(=O)C 2230a_100015525214_100000756337 [0,2,0,0,0,0|2,0,0]=4 4399 B13R1.74 CCNCc1ccc(cc1)C(=O)N 207a_100015525214_100000038677 [0,2,0,0,0,0|2,0,0]=4 4400 B13R1.74 CCNCc1ccc(cc1)C(=O)N 2230a_100015525214_100000231043 [0,2,0,0,0,0|2,0,0]=4 4401 B13R1.74 CCNCc1ccc(cc1)C(=O)N 270004a_100015525214_100000038677 [0,2,0,0,0,0|2,0,0]=4 4402 B13R1.74 CCNCc1ccc(cc1)C(=O)O 269956a_100000181780_100000210202 [0,2,0,0,0,0|1,0,0]=3 4403 B13R1.74 CCNCc1ccc(nc1)C(=O)O 269956a_100000762669_100000210202 [0,2,0,0,0,0|2,0,0]=4 4404 B13R1.74 CCOCc1ccc(cc1)B(O)O 34a_100121572206_100009813762 [0,2,0,0,0,0|1,0,1]=4 4405 B13R1.74 CCOCc1ccc(cc1)C(=O)C 34a_100121572206_100000756337 [0,2,0,0,0,0|1,0,0]=3 4406 B13R1.74 CCOCc1ccc(cc1)C(=O)C 7a_100000082505_100000210202 [0,2,0,0,0,0|1,0,0]=3 4407 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100000162016_100000210202 [0,2,0,0,0,0|1,0,0]=3 4408 B13R1.74 CCOCc1ccc(cc1)C(=O)N 34a_100121572206_100000231043 [0,2,0,0,0,0|1,0,0]=3 4409 B13R1.74 CCOCc1ccc(cc1)C(=O)N 7a_100000162016_100000210202 [0,2,0,0,0,0|1,0,0]=3 4410 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100000211695_100000210202 [0,2,0,0,0,0|1,0,1]=4 4411 B13R1.74 CCOCc1ccc(cc1)[N+](=O)[O-] 34a_100121572206_100000181861 [0,2,0,0,0,0|1,0,1]=4 4412 B13R1.74 CCSCc1ccc(cc1)C(=O)C 1458a_100000193729_200000210301 [0,2,0,0,0,0|1,1,0]=4 4413 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000210202_100000756337 [0,2,0,0,0,0|1,1,0]=4 4414 B13R1.74 CCSCc1ccc(cc1)C(=O)C 62a_100000756337_100000210202 [0,2,0,0,0,0|1,1,0]=4 4415 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000210202_100000231043 [0,2,0,0,0,0|1,1,0]=4 4416 B13R1.74 CCSCc1ccc(cc1)C(=O)N 62a_100000231043_100000210202 [0,2,0,0,0,0|1,1,0]=4 4417 B13R1.74 CCSCc1ccc(cc1)C(=O)[13CH3] 1458a_100000193729_200025704644 [0,2,0,0,0,0|1,1,0]=4 4418 B13R1.74 CNCCc1ccc(cc1)C(=O)C 2230a_106832991635_200000038727 [0,2,0,0,0,0|2,0,0]=4 4419 B13R1.74 CNCCc1ccc(cc1)C(=O)C 34a_100102657272_200000038727 [0,2,0,0,0,0|2,0,0]=4 4420 B13R1.74 CNCCc1ccc(cc1)C(=O)C 7a_106832991635_200000038727 [0,2,0,0,0,0|2,0,0]=4 4421 B13R1.74 CNCCc1ccc(cc1)C(=O)O 269956a_100000704756_200000210301 [0,2,0,0,0,0|1,0,0]=3 4422 B13R1.74 COCCc1ccc(cc1)C(=O)C 34a_100138415774_200000038727 [0,2,0,0,0,0|1,0,0]=3 4423 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200000210301 [0,2,0,0,0,0|1,0,1]=4 4424 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 34a_100138415774_100000736421 [0,2,0,0,0,0|1,0,1]=4 4425 B13R1.74 COCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200000210301 [0,2,0,0,0,0|1,0,1]=4 4426 B13R1.74 COCNc1ccc(cc1)C(C)O 2230a_100011216399_100000766300 [0,2,0,0,0,0|1,0,1]=4 4427 B13R1.74 COCNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_100000766300 [0,2,0,0,0,0|1,0,1]=4 4428 B13R1.74 COCOc1ccc(cc1)C(=O)C 1458a_100000230389_200000210301 [0,2,0,0,0,0|1,0,0]=3 4429 B13R1.74 COCOc1ccc(cc1)C(=O)[13CH3] 1458a_100000230389_200025704644 [0,2,0,0,0,0|1,0,0]=3 4430 B13R1.74 COCSc1ccc(cc1)B(O)O 62a_100000754493_100000766300 [0,2,0,0,0,0|1,0,1]=4 4431 B13R1.74 COCSc1ccc(cc1)B(O)O 62a_100000766300_100000754493 [0,2,0,0,0,0|1,0,1]=4 4432 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000185465_100000766300 [0,2,0,0,0,0|1,0,0]=3 4433 B13R1.74 COCSc1ccc(cc1)C(=O)C 62a_100000766300_100000185465 [0,2,0,0,0,0|1,0,0]=3 4434 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000162191_100000766300 [0,2,0,0,0,0|1,0,0]=3 4435 B13R1.74 COCSc1ccc(cc1)C(=O)N 62a_100000766300_100000162191 [0,2,0,0,0,0|1,0,0]=3 4436 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000745893_100000766300 [0,2,0,0,0,0|1,0,1]=4 4437 B13R1.74 COCSc1ccc(cc1)C(C)O 62a_100000766300_100000745893 [0,2,0,0,0,0|1,0,1]=4 4438 B13R1.74 COCSc1ccc(cc1)S(=O)C 62a_100009816266_100000766300 [0,2,0,0,0,0|2,0,0]=4 4439 B13R1.74 COCSc1ccc(cn1)C(=O)C 62a_100000684857_100000766300 [0,2,0,0,0,0|2,0,0]=4 4440 B13R1.74 COCSc1ccc(cn1)C(=O)C 62a_100000766300_100000684857 [0,2,0,0,0,0|2,0,0]=4 4441 B13R1.74 COCSc1ccc(cn1)C(=O)N 62a_100000162237_100000766300 [0,2,0,0,0,0|2,0,0]=4 4442 B13R1.74 COCSc1ccc(cn1)C(=O)N 62a_100000766300_100000162237 [0,2,0,0,0,0|2,0,0]=4 4443 B13R1.74 COCSc1ccc(nc1)C(=O)C 62a_100000686046_100000766300 [0,2,0,0,0,0|2,0,0]=4 4444 B13R1.74 COCSc1ccc(nc1)C(=O)C 62a_100000766300_100000686046 [0,2,0,0,0,0|2,0,0]=4 4445 B13R1.74 COCSc1ccc(nc1)C(=O)N 62a_100000766300_100011219284 [0,2,0,0,0,0|2,0,0]=4 4446 B13R1.74 COCSc1ccc(nc1)C(=O)N 62a_100011219284_100000766300 [0,2,0,0,0,0|2,0,0]=4 4447 B13R1.74 CS(=O)c1ccc(cc1)OCC#N 7a_200000064373_100011215382 [0,2,0,0,0,0|2,0,0]=4 4448 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 34a_200000064373_200009817547 [0,2,0,0,0,0|2,0,0]=4 4449 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 7a_200000064373_200015260668 [0,2,0,0,0,0|2,0,0]=4 4450 B13R1.74 CS(=O)c1ccc(cc1)OCCF 34a_200000064373_100011217306 [0,2,0,0,0,0|2,0,0]=4 4451 B13R1.74 CS(=O)c1ccc(cc1)OCCF 7a_200000064373_100011217306 [0,2,0,0,0,0|2,0,0]=4 4452 B13R1.74 CS(=O)c1ccc(cc1)OCCO 34a_200000064373_100000211926 [0,2,0,0,0,0|2,0,0]=4 4453 B13R1.74 CS(=O)c1ccc(cc1)OCCO 7a_200000064373_100000211926 [0,2,0,0,0,0|2,0,0]=4 4454 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000038727_200000210301 [0,2,0,0,0,0|1,1,0]=4 4455 B13R1.74 CSCCc1ccc(cc1)C(=O)C 62a_200000210301_200000038727 [0,2,0,0,0,0|1,1,0]=4 4456 B13R1.74 CSCNc1ccc(cc1)C(=O)N 34a_100000210537_100011218213 [0,2,0,0,0,0|1,1,0]=4 4457 B13R1.74 CSCOc1ccc(cc1)C(=O)C 34a_100000185113_100011218213 [0,2,0,0,0,0|1,0,0]=3 4458 B13R1.74 CSCOc1ccc(cc1)C(=O)N 34a_100000746352_100011218213 [0,2,0,0,0,0|1,0,0]=3 4459 B13R1.74 CSCOc1ccc(cc1)C(C)O 34a_100000754508_100011218213 [0,2,0,0,0,0|1,0,1]=4 4460 B13R1.74 CSCOc1ccc(cc1)S(=O)C 34a_200000064373_100011218213 [0,2,0,0,0,0|2,0,0]=4 4461 B13R1.74 CSCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_100011218213 [0,2,0,0,0,0|1,0,1]=4 4462 B13R1.74 CSCOc1ccc(nc1)C(=O)C 34a_100012001710_100011218213 [0,2,0,0,0,0|2,0,0]=4 4463 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100000185465_100011218213 [0,2,0,0,0,0|1,1,0]=4 4464 B13R1.74 CSCSc1ccc(cc1)C(=O)C 62a_100011218213_100000185465 [0,2,0,0,0,0|1,1,0]=4 4465 B13R1.74 CSCSc1ccc(cc1)C(=O)N 62a_100000162191_100011218213 [0,2,0,0,0,0|1,1,0]=4 4466 B13R1.74 CSCSc1ccc(cc1)C(=O)N 62a_100011218213_100000162191 [0,2,0,0,0,0|1,1,0]=4 4467 B13R1.74 N#CCOc1ccc(cc1)C(=O)N 7a_100000746352_100011215382 [0,2,0,0,0,0|1,0,0]=3 4468 B13R1.74 N#CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_100011215382 [0,2,0,0,0,0|1,0,1]=4 4469 B13R1.74 N#CCSc1ccc(cc1)C(=O)N 62a_100000162191_100011215382 [0,2,0,0,0,0|1,1,0]=4 4470 B13R1.74 N#CCSc1ccc(cc1)C(=O)N 62a_100011215382_100000162191 [0,2,0,0,0,0|1,1,0]=4 4471 B13R1.74 NC(=O)c1ccc(cc1)COCF 34a_100000162016_100015361967 [0,2,0,0,0,0|1,0,0]=3 4472 B13R1.74 NC(=O)c1ccc(cc1)COCF 7a_100000162016_100015361967 [0,2,0,0,0,0|1,0,0]=3 4473 B13R1.74 NC(=O)c1ccc(cc1)CSCF 62a_100000231043_100015361967 [0,2,0,0,0,0|1,1,0]=4 4474 B13R1.74 NC(=O)c1ccc(cc1)CSCF 62a_100015361967_100000231043 [0,2,0,0,0,0|1,1,0]=4 4475 B13R1.74 NC(=O)c1ccc(cc1)NCC=O 34a_100000210537_200009817547 [0,2,0,0,0,0|2,0,0]=4 4476 B13R1.74 NC(=O)c1ccc(cc1)NCCF 34a_100000210537_100011217306 [0,2,0,0,0,0|2,0,0]=4 4477 B13R1.74 NC(=O)c1ccc(cc1)NCCO 27a_100000210304_100000162191 [0,2,0,0,0,0|2,0,0]=4 4478 B13R1.74 NC(=O)c1ccc(cc1)NCCO 34a_100000210537_100000211926 [0,2,0,0,0,0|2,0,0]=4 4479 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 34a_100000746352_200009817547 [0,2,0,0,0,0|1,0,0]=3 4480 B13R1.74 NC(=O)c1ccc(cc1)OCC=O 7a_100000746352_200015260668 [0,2,0,0,0,0|1,0,0]=3 4481 B13R1.74 NC(=O)c1ccc(cc1)OCCF 34a_100000746352_100011217306 [0,2,0,0,0,0|1,0,0]=3 4482 B13R1.74 NC(=O)c1ccc(cc1)OCCF 7a_100000746352_100011217306 [0,2,0,0,0,0|1,0,0]=3 4483 B13R1.74 NC(=O)c1ccc(cc1)OCCO 34a_100000746352_100000211926 [0,2,0,0,0,0|1,0,0]=3 4484 B13R1.74 NC(=O)c1ccc(cc1)OCCO 7a_100000746352_100000211926 [0,2,0,0,0,0|1,0,0]=3 4485 B13R1.74 NC(=O)c1ccc(cc1)SCC=O 62a_100000162191_200015260668 [0,2,0,0,0,0|1,1,0]=4 4486 B13R1.74 NC(=O)c1ccc(cc1)SCC=O 62a_200015260668_100000162191 [0,2,0,0,0,0|1,1,0]=4 4487 B13R1.74 NC(=O)c1ccc(cc1)SCCF 62a_100000162191_100011217306 [0,2,0,0,0,0|1,1,0]=4 4488 B13R1.74 NC(=O)c1ccc(cc1)SCCF 62a_100011217306_100000162191 [0,2,0,0,0,0|1,1,0]=4 4489 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000162191_100000211926 [0,2,0,0,0,0|1,1,0]=4 4490 B13R1.74 NC(=O)c1ccc(cc1)SCCO 62a_100000211926_100000162191 [0,2,0,0,0,0|1,1,0]=4 4491 B13R1.74 O=C(O)c1ccc(cc1)CNCF 269956a_100000181780_100015361967 [0,2,0,0,0,0|1,0,0]=3 4492 B13R1.74 O=C(O)c1ccc(cn1)CNCF 269956a_100000762669_100015361967 [0,2,0,0,0,0|2,0,0]=4 4493 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200009817547 [0,2,0,0,0,0|1,0,1]=4 4494 B13R1.74 O=CCOc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200015260668 [0,2,0,0,0,0|1,0,1]=4 4495 B13R1.74 O=[N+]([O-])c1ccc(cc1)COCF 34a_100000211695_100015361967 [0,2,0,0,0,0|1,0,1]=4 4496 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 34a_100000185810_100011217306 [0,2,0,0,0,0|1,0,1]=4 4497 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCF 7a_100000185810_100011217306 [0,2,0,0,0,0|1,0,1]=4 4498 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 34a_100000185810_100000211926 [0,2,0,0,0,0|1,0,1]=4 4499 B13R1.74 O=[N+]([O-])c1ccc(cc1)OCCO 7a_100000185810_100000211926 [0,2,0,0,0,0|1,0,1]=4 4500 B13R1.74 [13CH3]C(=O)c1ccc(cc1)OCCO 1458a_100000217286_200025704644 [0,2,0,0,0,0|1,0,0]=3 4501 B13R1.74 [13CH3]C(=O)c1ccc(cc1)SCCO 1458a_200000182347_200025704644 [0,2,0,0,0,0|1,1,0]=4 4502 B13R1.74 [13CH3]NCCc1ccc(cc1)C(=O)O 269956a_100000704756_200025704644 [0,2,0,0,0,0|1,0,0]=3 4503 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 34a_100000704122_200025704644 [0,2,0,0,0,0|1,0,1]=4 4504 B13R1.74 [13CH3]OCCc1ccc(cc1)[N+](=O)[O-] 7a_100000704122_200025704644 [0,2,0,0,0,0|1,0,1]=4 4505 B13R1.385 C=C(C)c1ccc(cc1C)OCC 271570a_100000694244_100012344538 [0,2,0,0,0,0|2,0,0]=4 4506 B13R1.385 C=C(C)c1ccc(cc1F)COC 271570a_100000694244_100010177442 [0,2,0,0,0,0|2,0,0]=4 4507 B13R1.385 C=C(C)c1ccc(cc1F)OCC 271570a_100000694244_100000692347 [0,2,0,0,0,0|2,0,0]=4 4508 B13R1.385 C=C(C)c1ccc(cc1N)COC 271570a_100000694244_200013033220 [0,2,0,0,0,0|2,0,0]=4 4509 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 34a_100012340537_100015361967 [0,2,0,0,0,0|1,0,0]=3 4510 B13R1.385 CC(=O)c1ccc(cc1Br)OCF 7a_100012340537_100015361967 [0,2,0,0,0,0|1,0,0]=3 4511 B13R1.385 CC(=O)c1ccc(cc1C)OCF 34a_100000702595_100015361967 [0,2,0,0,0,0|1,0,0]=3 4512 B13R1.385 CC(=O)c1ccc(cc1C)OCF 7a_100000702595_100015361967 [0,2,0,0,0,0|1,0,0]=3 4513 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100012360112_100015361967 [0,2,0,0,0,0|1,1,0]=4 4514 B13R1.385 CC(=O)c1ccc(cc1C)SCF 62a_100015361967_100012360112 [0,2,0,0,0,0|1,1,0]=4 4515 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 34a_100011933989_100015361967 [0,2,0,0,0,0|1,0,0]=3 4516 B13R1.385 CC(=O)c1ccc(cc1Cl)OCF 7a_100011933989_100015361967 [0,2,0,0,0,0|1,0,0]=3 4517 B13R1.385 CC(=O)c1ccc(cc1F)OCF 34a_100000752407_100015361967 [0,2,0,0,0,0|1,0,0]=3 4518 B13R1.385 CC(=O)c1ccc(cc1F)OCF 7a_100000752407_100015361967 [0,2,0,0,0,0|1,0,0]=3 4519 B13R1.385 CC(=O)c1ccc(cc1F)SCF 62a_100000690205_100015361967 [0,2,0,0,0,0|1,1,0]=4 4520 B13R1.385 CC(=O)c1ccc(cc1N)SCF 62a_100011590516_100015361967 [0,2,0,0,0,0|1,1,0]=4 4521 B13R1.385 CC=Cc1ccc(c(c1)Br)C(=O)N 271570a_100016259895_200010146565 [0,2,0,0,0,0|2,0,0]=4 4522 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)C 271570a_100016259895_100012360112 [0,2,0,0,0,0|2,0,0]=4 4523 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)N 271570a_100016259895_100011327924 [0,2,0,0,0,0|2,0,0]=4 4524 B13R1.385 CC=Cc1ccc(c(c1)F)C(=O)C 271570a_100016259895_100000690205 [0,2,0,0,0,0|2,0,0]=4 4525 B13R1.385 CC=Cc1ccc(c(c1)F)C(=O)N 271570a_100016259895_100000216903 [0,2,0,0,0,0|2,0,0]=4 4526 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)C 271570a_100016259895_100011590516 [0,2,0,0,0,0|2,0,0]=4 4527 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)N 271570a_100016259895_100012349972 [0,2,0,0,0,0|2,0,0]=4 4528 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)C 271570a_100016259895_100000188348 [0,2,0,0,0,0|2,0,0]=4 4529 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)N 271570a_100016259895_100011550861 [0,2,0,0,0,0|2,0,0]=4 4530 B13R1.385 CCNc1ccc(c(c1)Br)C(=O)N 27a_100015525214_200010146565 [0,2,0,0,0,0|2,0,0]=4 4531 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 27a_100015525214_100011327924 [0,2,0,0,0,0|2,0,0]=4 4532 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 34a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 4533 B13R1.385 CCNc1ccc(c(c1)C)C(=O)N 7a_200000751758_100000210202 [0,2,0,0,0,0|2,0,0]=4 4534 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 34a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 4535 B13R1.385 CCNc1ccc(c(c1)Cl)C(=O)N 7a_100000737725_100000210202 [0,2,0,0,0,0|2,0,0]=4 4536 B13R1.385 CCNc1ccc(c(c1)F)C(=O)C 27a_100015525214_100000690205 [0,2,0,0,0,0|2,0,0]=4 4537 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 27a_100015525214_100000216903 [0,2,0,0,0,0|2,0,0]=4 4538 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 34a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 4539 B13R1.385 CCNc1ccc(c(c1)F)C(=O)N 7a_100000749959_100000210202 [0,2,0,0,0,0|2,0,0]=4 4540 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 34a_100000223280_100000210202 [0,2,0,0,0,0|2,0,0]=4 4541 B13R1.385 CCNc1ccc(c(c1)O)C(=O)N 7a_100000223280_100000210202 [0,2,0,0,0,0|2,0,0]=4 4542 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 34a_100012340537_100000210202 [0,2,0,0,0,0|1,0,0]=3 4543 B13R1.385 CCOc1ccc(c(c1)Br)C(=O)C 7a_100012340537_100000210202 [0,2,0,0,0,0|1,0,0]=3 4544 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] 34a_100012356988_100000210202 [0,2,0,0,0,0|1,0,1]=4 4545 B13R1.385 CCOc1ccc(c(c1)Br)[N+](=O)[O-] 7a_100012356988_100000210202 [0,2,0,0,0,0|1,0,1]=4 4546 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 1458a_200012183785_200000210301 [0,2,0,0,0,0|1,0,0]=3 4547 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 34a_100000702595_100000210202 [0,2,0,0,0,0|1,0,0]=3 4548 B13R1.385 CCOc1ccc(c(c1)C)C(=O)C 7a_100000702595_100000210202 [0,2,0,0,0,0|1,0,0]=3 4549 B13R1.385 CCOc1ccc(c(c1)C)C(=O)[13CH3] 1458a_200012183785_200025704644 [0,2,0,0,0,0|1,0,0]=3 4550 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 34a_100000195451_100000210202 [0,2,0,0,0,0|1,0,1]=4 4551 B13R1.385 CCOc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000195451_100000210202 [0,2,0,0,0,0|1,0,1]=4 4552 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_100000210202 [0,2,0,0,0,0|1,0,0]=3 4553 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_100000210202 [0,2,0,0,0,0|1,0,0]=3 4554 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 34a_100011997949_100000210202 [0,2,0,0,0,0|1,0,0]=3 4555 B13R1.385 CCOc1ccc(c(c1)Cl)C(=O)N 7a_100011997949_100000210202 [0,2,0,0,0,0|1,0,0]=3 4556 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 34a_100000746235_100000210202 [0,2,0,0,0,0|1,0,1]=4 4557 B13R1.385 CCOc1ccc(c(c1)Cl)[N+](=O)[O-] 7a_100000746235_100000210202 [0,2,0,0,0,0|1,0,1]=4 4558 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 1458a_100012184274_200000210301 [0,2,0,0,0,0|1,0,0]=3 4559 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 34a_100000752407_100000210202 [0,2,0,0,0,0|1,0,0]=3 4560 B13R1.385 CCOc1ccc(c(c1)F)C(=O)C 7a_100000752407_100000210202 [0,2,0,0,0,0|1,0,0]=3 4561 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 34a_200012186767_100000210202 [0,2,0,0,0,0|1,0,0]=3 4562 B13R1.385 CCOc1ccc(c(c1)F)C(=O)N 7a_200012186767_100000210202 [0,2,0,0,0,0|1,0,0]=3 4563 B13R1.385 CCOc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100012184274_200025704644 [0,2,0,0,0,0|1,0,0]=3 4564 B13R1.385 CCOc1ccc(c(c1)F)[N+](=O)[O-] 7a_100000745333_100000210202 [0,2,0,0,0,0|1,0,1]=4 4565 B13R1.385 CCOc1ccc(c(c1)I)[N+](=O)[O-] 7a_100010243554_100000210202 [0,2,0,0,0,0|1,0,1]=4 4566 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 34a_100012186684_100000210202 [0,2,0,0,0,0|1,0,0]=3 4567 B13R1.385 CCOc1ccc(c(c1)N)C(=O)N 7a_100012186684_100000210202 [0,2,0,0,0,0|1,0,0]=3 4568 B13R1.385 CCOc1ccc(c(c1)N)[N+](=O)[O-] 7a_100000729835_100000210202 [0,2,0,0,0,0|1,0,1]=4 4569 B13R1.385 CCOc1ccc(c(c1)O)C(=O)C 1458a_200000049073_200000210301 [0,2,0,0,0,0|1,0,0]=3 4570 B13R1.385 CCOc1ccc(c(c1)O)C(=O)[13CH3] 1458a_200000049073_200025704644 [0,2,0,0,0,0|1,0,0]=3 4571 B13R1.385 CCSc1ccc(c(c1)Br)C(=O)N 62a_200010146565_100000210202 [0,2,0,0,0,0|1,1,0]=4 4572 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100000210202_100012360112 [0,2,0,0,0,0|1,1,0]=4 4573 B13R1.385 CCSc1ccc(c(c1)C)C(=O)C 62a_100012360112_100000210202 [0,2,0,0,0,0|1,1,0]=4 4574 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100000210202_100011327924 [0,2,0,0,0,0|1,1,0]=4 4575 B13R1.385 CCSc1ccc(c(c1)C)C(=O)N 62a_100011327924_100000210202 [0,2,0,0,0,0|1,1,0]=4 4576 B13R1.385 CCSc1ccc(c(c1)F)C(=O)C 62a_100000690205_100000210202 [0,2,0,0,0,0|1,1,0]=4 4577 B13R1.385 CCSc1ccc(c(c1)F)C(=O)N 62a_100000216903_100000210202 [0,2,0,0,0,0|1,1,0]=4 4578 B13R1.385 CCSc1ccc(c(c1)N)C(=O)C 62a_100011590516_100000210202 [0,2,0,0,0,0|1,1,0]=4 4579 B13R1.385 CCSc1ccc(c(c1)N)C(=O)N 62a_100012349972_100000210202 [0,2,0,0,0,0|1,1,0]=4 4580 B13R1.385 CCSc1ccc(c(c1)O)C(=O)N 62a_100011550861_100000210202 [0,2,0,0,0,0|1,1,0]=4 4581 B13R1.385 CNCc1ccc(c(c1)Br)C(=O)C 26a_100102657272_100012340537 [0,2,0,0,0,0|2,0,0]=4 4582 B13R1.385 CNCc1ccc(c(c1)Cl)C(=O)C 26a_100102657272_100011933989 [0,2,0,0,0,0|2,0,0]=4 4583 B13R1.385 COCc1ccc(c(c1)C)[N+](=O)[O-] 34a_100138415774_100009816690 [0,2,0,0,0,0|1,0,1]=4 4584 B13R1.385 COCc1ccc(c(c1)C)[N+](=O)[O-] 7a_100000032365_200000210301 [0,2,0,0,0,0|1,0,1]=4 4585 B13R1.385 COCc1ccc(c(c1)F)[N+](=O)[O-] 34a_100138415774_100000687068 [0,2,0,0,0,0|1,0,1]=4 4586 B13R1.385 COCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_200000210301 [0,2,0,0,0,0|1,0,1]=4 4587 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 34a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 4588 B13R1.385 Cc1cc(ccc1C(=O)N)NCF 7a_200000751758_100015361967 [0,2,0,0,0,0|2,0,0]=4 4589 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100011327924_100015361967 [0,2,0,0,0,0|1,1,0]=4 4590 B13R1.385 Cc1cc(ccc1C(=O)N)SCF 62a_100015361967_100011327924 [0,2,0,0,0,0|1,1,0]=4 4591 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])CO[13CH3] 7a_100000032365_200025704644 [0,2,0,0,0,0|1,0,1]=4 4592 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF 34a_100000195451_100015361967 [0,2,0,0,0,0|1,0,1]=4 4593 B13R1.385 Cc1cc(ccc1[N+](=O)[O-])OCF 7a_100000195451_100015361967 [0,2,0,0,0,0|1,0,1]=4 4594 B13R1.385 NC(=O)c1ccc(cc1Br)SCF 62a_200010146565_100015361967 [0,2,0,0,0,0|1,1,0]=4 4595 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 34a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 4596 B13R1.385 NC(=O)c1ccc(cc1Cl)NCF 7a_100000737725_100015361967 [0,2,0,0,0,0|2,0,0]=4 4597 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 34a_100011997949_100015361967 [0,2,0,0,0,0|1,0,0]=3 4598 B13R1.385 NC(=O)c1ccc(cc1Cl)OCF 7a_100011997949_100015361967 [0,2,0,0,0,0|1,0,0]=3 4599 B13R1.385 NC(=O)c1ccc(cc1F)NCF 34a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 4600 B13R1.385 NC(=O)c1ccc(cc1F)NCF 7a_100000749959_100015361967 [0,2,0,0,0,0|2,0,0]=4 4601 B13R1.385 NC(=O)c1ccc(cc1F)OCF 34a_200012186767_100015361967 [0,2,0,0,0,0|1,0,0]=3 4602 B13R1.385 NC(=O)c1ccc(cc1F)OCF 7a_200012186767_100015361967 [0,2,0,0,0,0|1,0,0]=3 4603 B13R1.385 NC(=O)c1ccc(cc1F)SCF 62a_100000216903_100015361967 [0,2,0,0,0,0|1,1,0]=4 4604 B13R1.385 NC(=O)c1ccc(cc1N)OCF 34a_100012186684_100015361967 [0,2,0,0,0,0|1,0,0]=3 4605 B13R1.385 NC(=O)c1ccc(cc1N)OCF 7a_100012186684_100015361967 [0,2,0,0,0,0|1,0,0]=3 4606 B13R1.385 NC(=O)c1ccc(cc1N)SCF 62a_100012349972_100015361967 [0,2,0,0,0,0|1,1,0]=4 4607 B13R1.385 NC(=O)c1ccc(cc1O)NCF 34a_100000223280_100015361967 [0,2,0,0,0,0|2,0,0]=4 4608 B13R1.385 NC(=O)c1ccc(cc1O)NCF 7a_100000223280_100015361967 [0,2,0,0,0,0|2,0,0]=4 4609 B13R1.385 NC(=O)c1ccc(cc1O)SCF 62a_100011550861_100015361967 [0,2,0,0,0,0|1,1,0]=4 4610 B13R1.385 Nc1cc(ccc1[N+](=O)[O-])OCF 7a_100000729835_100015361967 [0,2,0,0,0,0|1,0,1]=4 4611 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF 34a_100012356988_100015361967 [0,2,0,0,0,0|1,0,1]=4 4612 B13R1.385 O=[N+]([O-])c1ccc(cc1Br)OCF 7a_100012356988_100015361967 [0,2,0,0,0,0|1,0,1]=4 4613 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 34a_100000746235_100015361967 [0,2,0,0,0,0|1,0,1]=4 4614 B13R1.385 O=[N+]([O-])c1ccc(cc1Cl)OCF 7a_100000746235_100015361967 [0,2,0,0,0,0|1,0,1]=4 4615 B13R1.385 O=[N+]([O-])c1ccc(cc1F)OCF 7a_100000745333_100015361967 [0,2,0,0,0,0|1,0,1]=4 4616 B13R1.385 O=[N+]([O-])c1ccc(cc1I)OCF 7a_100010243554_100015361967 [0,2,0,0,0,0|1,0,1]=4 4617 B13R1.385 [13CH3]OCc1ccc(c(c1)F)[N+](=O)[O-] 7a_100011219895_200025704644 [0,2,0,0,0,0|1,0,1]=4 4618 B13R1.99 C=C(C)c1ccc(cc1C#N)OC 271570a_100000694244_100000748272 [0,2,0,0,0,0|2,0,0]=4 4619 B13R1.99 C=C(C)c1ccc(cc1C=O)OC 271570a_100000694244_100000691568 [0,2,0,0,0,0|2,0,0]=4 4620 B13R1.99 C=C(C)c1ccc(cc1CC)OC 271570a_100000694244_100000720562 [0,2,0,0,0,0|2,0,0]=4 4621 B13R1.99 C=C(C)c1ccc(cc1CN)OC 271570a_100000694244_100000741592 [0,2,0,0,0,0|2,0,0]=4 4622 B13R1.99 C=C(C)c1ccc(cc1CO)OC 271570a_100000694244_200011273942 [0,2,0,0,0,0|2,0,0]=4 4623 B13R1.99 C=C(C)c1ccc(cc1OC)OC 271570a_100000694244_100000750026 [0,2,0,0,0,0|2,0,0]=4 4624 B13R1.99 C=Cc1cc(ccc1C(=O)C)OC 271570a_100011290941_100000697255 [0,2,0,0,0,0|1,0,0]=3 4625 B13R1.99 C=Cc1cc(ccc1C(=O)N)OC 271570a_100011290941_200009815664 [0,2,0,0,0,0|1,0,0]=3 4626 B13R1.99 C=Cc1cc(ccc1C(C)O)OC 271570a_100011290941_100000697252 [0,2,0,0,0,0|1,0,1]=4 4627 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 34a_100000116857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4628 B13R1.99 COc1cc(ccc1C(=O)C)O[13CH3] 7a_100000116857_200025704644 [0,2,0,0,0,0|1,0,0]=3 4629 B13R1.99 COc1cc(ccc1C(=O)C)SC 1458a_100000211074_200000210301 [0,2,0,0,0,0|1,1,0]=4 4630 B13R1.99 COc1cc(ccc1C(=O)C)SC 62a_100000709911_200000210301 [0,2,0,0,0,0|1,1,0]=4 4631 B13R1.99 COc1cc(ccc1C(=O)C)S[13CH3] 62a_100000709911_200025704644 [0,2,0,0,0,0|1,1,0]=4 4632 B13R1.99 COc1cc(ccc1C(=O)N)SC 62a_100000748320_200000210301 [0,2,0,0,0,0|1,1,0]=4 4633 B13R1.99 COc1cc(ccc1C(=O)N)S[13CH3] 62a_100000748320_200025704644 [0,2,0,0,0,0|1,1,0]=4 4634 B13R1.99 COc1cc(ccc1C(=O)[13CH3])SC 1458a_100000211074_200025704644 [0,2,0,0,0,0|1,1,0]=4 4635 B13R1.99 COc1cc(ccc1[N+](=O)[O-])O[13CH3] 34a_100000723347_200025704644 [0,2,0,0,0,0|1,0,1]=4 4636 B13R1.99 COc1cc(ccc1[N+](=O)[O-])O[13CH3] 7a_100000723347_200025704644 [0,2,0,0,0,0|1,0,1]=4 4637 B13R1.99 COc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_200000210301 [0,2,0,0,0,0|1,0,1]=4 4638 B13R1.99 COc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_200000210301 [0,2,0,0,0,0|1,0,1]=4 4639 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 1458a_100000210807_200000210301 [0,2,0,0,0,0|1,0,0]=3 4640 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000116857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4641 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 34a_100000185565_200000210301 [0,2,0,0,0,0|1,0,0]=3 4642 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000116857_200000210301 [0,2,0,0,0,0|1,0,0]=3 4643 B13R1.99 COc1ccc(c(c1)OC)C(=O)C 7a_100000185565_200000210301 [0,2,0,0,0,0|1,0,0]=3 4644 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 34a_100000185031_200000210301 [0,2,0,0,0,0|1,0,0]=3 4645 B13R1.99 COc1ccc(c(c1)OC)C(=O)N 7a_100000185031_200000210301 [0,2,0,0,0,0|1,0,0]=3 4646 B13R1.99 COc1ccc(c(c1)OC)C(=O)[13CH3] 1458a_100000210807_200025704644 [0,2,0,0,0,0|1,0,0]=3 4647 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100000723347_200000210301 [0,2,0,0,0,0|1,0,1]=4 4648 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 34a_100011219805_200000210301 [0,2,0,0,0,0|1,0,1]=4 4649 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100000723347_200000210301 [0,2,0,0,0,0|1,0,1]=4 4650 B13R1.99 COc1ccc(c(c1)OC)[N+](=O)[O-] 7a_100011219805_200000210301 [0,2,0,0,0,0|1,0,1]=4 4651 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 34a_100000185565_200025704644 [0,2,0,0,0,0|1,0,0]=3 4652 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)C 7a_100000185565_200025704644 [0,2,0,0,0,0|1,0,0]=3 4653 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000185031_200025704644 [0,2,0,0,0,0|1,0,0]=3 4654 B13R1.99 COc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000185031_200025704644 [0,2,0,0,0,0|1,0,0]=3 4655 B13R1.99 COc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100011219805_200025704644 [0,2,0,0,0,0|1,0,1]=4 4656 B13R1.99 COc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100011219805_200025704644 [0,2,0,0,0,0|1,0,1]=4 4657 B13R1.99 COc1ccc(c(c1)SC)C(=O)C 62a_100000697255_200000210301 [0,2,0,0,0,0|1,0,0]=3 4658 B13R1.99 COc1ccc(c(c1)SC)C(=O)N 62a_200009815664_200000210301 [0,2,0,0,0,0|1,0,0]=3 4659 B13R1.99 COc1ccc(c(c1)SC)C(C)O 62a_100000697252_200000210301 [0,2,0,0,0,0|1,0,1]=4 4660 B13R1.99 COc1ccc(c(c1)SC)C(C)O 62a_200000210301_100000697252 [0,2,0,0,0,0|1,0,1]=4 4661 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)C 62a_100000697255_200025704644 [0,2,0,0,0,0|1,0,0]=3 4662 B13R1.99 COc1ccc(c(c1)S[13CH3])C(=O)N 62a_200009815664_200025704644 [0,2,0,0,0,0|1,0,0]=3 4663 B13R1.99 COc1ccc(c(c1)S[13CH3])C(C)O 62a_100000697252_200025704644 [0,2,0,0,0,0|1,0,1]=4 4664 B13R1.99 COc1ccc(c(c1)S[13CH3])C(C)O 62a_200025704644_100000697252 [0,2,0,0,0,0|1,0,1]=4 4665 B13R1.99 [13CH3]Oc1ccc(c(c1)CO)[N+](=O)[O-] 34a_100000032882_200025704644 [0,2,0,0,0,0|1,0,1]=4 4666 B13R1.99 [13CH3]Oc1ccc(c(c1)CO)[N+](=O)[O-] 7a_100000032882_200025704644 [0,2,0,0,0,0|1,0,1]=4 4667 B13R1.428 C=C(C)c1c(cc(cc1C)OC)C 271570a_100000694244_100012160682 [0,2,0,0,0,0|2,0,0]=4 4668 B13R1.428 C=C(C)c1c(cc(cc1F)OC)F 271570a_100000694244_100011218311 [0,2,0,0,0,0|2,0,0]=4 4669 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])F 62a_100012706838_200025704644 [0,2,0,0,0,0|1,1,0]=4 4670 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])F 62a_200025704644_100012706838 [0,2,0,0,0,0|1,1,0]=4 4671 B13R1.428 CC(=O)c1c(cc(cc1F)S[13CH3])O 62a_200025704644_100010734142 [0,2,0,0,0,0|1,1,0]=4 4672 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)C 27a_100102657272_100016096366 [0,2,0,0,0,0|2,0,0]=4 4673 B13R1.428 CNc1cc(c(c(c1)F)C(=O)N)F 27a_100102657272_100000695656 [0,2,0,0,0,0|2,0,0]=4 4674 B13R1.428 COc1cc(c(c(c1)C)C(=O)C)C 1458a_100000077298_200000210301 [0,2,0,0,0,0|1,0,0]=3 4675 B13R1.428 COc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000077298_200025704644 [0,2,0,0,0,0|1,0,0]=3 4676 B13R1.428 COc1cc(c(c(c1)C)[N+](=O)[O-])C 34a_100012186654_200000210301 [0,2,0,0,0,0|1,0,1]=4 4677 B13R1.428 COc1cc(c(c(c1)C)[N+](=O)[O-])C 7a_100012186654_200000210301 [0,2,0,0,0,0|1,0,1]=4 4678 B13R1.428 COc1cc(c(c(c1)F)C(=O)C)F 1458a_100011216705_200000210301 [0,2,0,0,0,0|1,0,0]=3 4679 B13R1.428 COc1cc(c(c(c1)F)C(=O)[13CH3])F 1458a_100011216705_200025704644 [0,2,0,0,0,0|1,0,0]=3 4680 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)F 62a_100012706838_200000210301 [0,2,0,0,0,0|1,1,0]=4 4681 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)F 62a_200000210301_100012706838 [0,2,0,0,0,0|1,1,0]=4 4682 B13R1.428 CSc1cc(c(c(c1)F)C(=O)C)O 62a_200000210301_100010734142 [0,2,0,0,0,0|1,1,0]=4 4683 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)C 62a_100016096366_200000210301 [0,2,0,0,0,0|1,1,0]=4 4684 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)C 62a_200000210301_100016096366 [0,2,0,0,0,0|1,1,0]=4 4685 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)F 62a_100000695656_200000210301 [0,2,0,0,0,0|1,1,0]=4 4686 B13R1.428 CSc1cc(c(c(c1)F)C(=O)N)F 62a_200000210301_100000695656 [0,2,0,0,0,0|1,1,0]=4 4687 B13R1.428 Cc1cc(cc(c1C(=O)N)F)S[13CH3] 62a_100016096366_200025704644 [0,2,0,0,0,0|1,1,0]=4 4688 B13R1.428 Cc1cc(cc(c1C(=O)N)F)S[13CH3] 62a_200025704644_100016096366 [0,2,0,0,0,0|1,1,0]=4 4689 B13R1.428 Cc1cc(cc(c1[N+](=O)[O-])C)O[13CH3] 34a_100012186654_200025704644 [0,2,0,0,0,0|1,0,1]=4 4690 B13R1.428 Cc1cc(cc(c1[N+](=O)[O-])C)O[13CH3] 7a_100012186654_200025704644 [0,2,0,0,0,0|1,0,1]=4 4691 B13R1.428 [13CH3]Sc1cc(c(c(c1)F)C(=O)N)F 62a_100000695656_200025704644 [0,2,0,0,0,0|1,1,0]=4 4692 B13R1.428 [13CH3]Sc1cc(c(c(c1)F)C(=O)N)F 62a_200025704644_100000695656 [0,2,0,0,0,0|1,1,0]=4 4693 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [1,0,0,1,0,0|2,0,0]=4 4694 B13R2.2121 C=Cc1ccc2[nH]c(=O)oc2c1 271570a_100011290941_100000697996 [0,0,0,1,0,1|1,0,1]=4 4695 B13R2.2121 CNc1ccc2nc(oc2c1)C 34a_100000736495_200000210301 [0,0,0,1,0,1|2,0,0]=4 4696 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,0,0,1,0,1|0,0,0]=2 4697 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,0,0,1,0,1|2,0,0]=4 4698 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,0,0,1,0,1|2,0,0]=4 4699 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,0,0,1,0,1|1,0,0]=3 4700 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,0,0,1,0,1|1,0,0]=3 4701 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,0,0,1,0,1|2,0,0]=4 4702 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,0,0,1,0,1|1,0,0]=3 4703 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,0,0,1,0,1|1,0,0]=3 4704 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,0,0,1,0,1|1,0,0]=3 4705 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,0,0,1,0,1|1,0,0]=3 4706 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,0,0,1,0,1|1,1,0]=4 4707 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,0,0,1,0,1|1,1,0]=4 4708 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,0,0,1,0,1|1,1,0]=4 4709 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,0,0,1,0,1|1,1,0]=4 4710 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,0,0,1,0,1|0,1,0]=3 4711 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,0,0,1,0,1|2,0,0]=4 4712 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,0,0,1,0,1|2,0,0]=4 4713 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,0,0,1,0,1|2,0,0]=4 4714 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,0,0,1,0,1|2,0,0]=4 4715 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,0,0,1,0,1|2,0,0]=4 4716 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,0,0,1,0,1|2,0,0]=4 4717 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,0,0,1,0,1|2,0,0]=4 4718 B13R2.2121 CSc1ccc2[nH]c(=O)[nH]c2c1 62a_200000210301_200011356815 [0,0,0,1,0,1|1,1,0]=4 4719 B13R2.2121 CSc1ccc2[nH]c(=O)oc2c1 62a_200000210301_100000697996 [0,0,0,1,0,1|0,1,0]=3 4720 B13R2.2121 CSc1ccc2c(c1)CC(=O)C2 62a_100010185598_200000210301 [0,0,0,1,0,1|1,1,0]=4 4721 B13R2.2121 CSc1ccc2c(c1)CC(=O)N2 62a_200000210301_100000754858 [0,0,0,1,0,1|1,1,0]=4 4722 B13R2.2121 CSc1ccc2c(c1)NC(=O)C2 62a_200000210301_100000760487 [0,0,0,1,0,1|1,1,0]=4 4723 B13R2.2121 CSc1ccc2nc(oc2c1)C 62a_200000210301_100010171164 [0,0,0,1,0,1|1,1,0]=4 4724 B13R2.2121 CSc1cnc2[nH]c(=O)oc2c1 62a_200000210301_100000721845 [0,0,0,1,0,1|1,1,0]=4 4725 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,0,0,1,0,1|2,0,0]=4 4726 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,0,0,1,0,1|2,0,0]=4 4727 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,0,0,1,0,1|2,0,0]=4 4728 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,0,0,1,0,1|1,0,0]=3 4729 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,0,0,1,0,1|1,0,0]=3 4730 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,0,0,1,0,1|2,0,0]=4 4731 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,0,0,1,0,1|2,0,0]=4 4732 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,0,0,1,0,1|2,0,0]=4 4733 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,0,0,1,0,1|2,0,0]=4 4734 B13R2.2121 Cc1nc2ccc(cc2o1)N[13CH3] 34a_100000736495_200025704644 [0,0,0,1,0,1|2,0,0]=4 4735 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,0,0,1,0,1|1,0,0]=3 4736 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,0,0,1,0,1|1,0,0]=3 4737 B13R2.2121 Cc1nc2ccc(cc2o1)S[13CH3] 62a_200025704644_100010171164 [0,0,0,1,0,1|1,1,0]=4 4738 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,0,0,1,0,1|1,1,0]=4 4739 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,0,0,1,0,1|1,1,0]=4 4740 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,0,0,1,0,1|0,0,0]=2 4741 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,0,0,1,0,1|1,0,0]=3 4742 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,0,0,1,0,1|1,0,0]=3 4743 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,0,0,1,0,1|1,1,0]=4 4744 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,0,0,1,0,1|1,1,0]=4 4745 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,0,0,1,0,1|2,0,0]=4 4746 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,0,0,1,0,1|2,0,0]=4 4747 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,0,0,1,0,1|2,0,0]=4 4748 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)[nH]c2c1 62a_200025704644_200011356815 [0,0,0,1,0,1|1,1,0]=4 4749 B13R2.2121 [13CH3]Sc1ccc2[nH]c(=O)oc2c1 62a_200025704644_100000697996 [0,0,0,1,0,1|0,1,0]=3 4750 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)C2 62a_100010185598_200025704644 [0,0,0,1,0,1|1,1,0]=4 4751 B13R2.2121 [13CH3]Sc1ccc2c(c1)CC(=O)N2 62a_200025704644_100000754858 [0,0,0,1,0,1|1,1,0]=4 4752 B13R2.2121 [13CH3]Sc1ccc2c(c1)NC(=O)C2 62a_200025704644_100000760487 [0,0,0,1,0,1|1,1,0]=4 4753 B13R2.2121 [13CH3]Sc1cnc2[nH]c(=O)oc2c1 62a_200025704644_100000721845 [0,0,0,1,0,1|1,1,0]=4 4754 B13R2.1139 CCC(=O)c1ccc2c(c1)CC2 1458a_100000137882_100000210202 [0,1,0,1,0,0|2,0,0]=4 4755 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 11a_106832991635_100000137882 [0,1,0,1,0,0|2,0,0]=4 4756 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 1626a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 4757 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 240690a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 4758 B13R2.1139 CNC(=O)c1ccc2c(c1)CC2 527a_100102657272_100000137882 [0,1,0,1,0,0|2,0,0]=4 4759 B13R2.1139 O=C(CF)c1ccc2c(c1)CC2 1458a_100000137882_100015361967 [0,1,0,1,0,0|2,0,0]=4 4760 B13R2.2130 C=Cc1ccc2c(c1)COC2=O 271570a_100011290941_100009816608 [0,1,0,1,0,0|1,0,1]=4 4761 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,1,0,0|1,0,1]=4 4762 B13R2.2130 COc1cc2[nH]cc(c2cn1)O 271570a_203496583355_200010168631 [0,1,0,1,0,0|2,0,0]=4 4763 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,1,0,1,0,0|1,0,0]=3 4764 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,1,0,1,0,0|1,0,0]=3 4765 B13R2.2130 COc1ccc2c(c1)CNC2=O 34a_100000098542_200000210301 [0,1,0,1,0,0|1,0,0]=3 4766 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,1,0,0|0,0,0]=2 4767 B13R2.2130 COc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049672 [0,1,0,1,0,0|1,0,0]=3 4768 B13R2.2130 COc1ccc2c(noc2c1)C 34a_200000076027_200000210301 [0,1,0,1,0,0|1,0,0]=3 4769 B13R2.2130 COc1ccn2c(cnc2c1)O 271570a_203496583355_100010231830 [0,1,0,1,0,0|2,0,0]=4 4770 B13R2.2130 COc1cnc2c(c[nH]c2c1)O 271570a_203496583355_200010168573 [0,1,0,1,0,0|2,0,0]=4 4771 B13R2.2130 CSc1ccc2c(=O)[nH][nH]c2c1 62a_200000210301_100012353722 [0,1,0,1,0,0|1,1,0]=4 4772 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,1,0,1,0,0|1,1,0]=4 4773 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,1,0,1,0,0|1,1,0]=4 4774 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_100000737041_200000210301 [0,1,0,1,0,0|1,1,0]=4 4775 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_200000210301_100000737041 [0,1,0,1,0,0|1,1,0]=4 4776 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_100000692135_200000210301 [0,1,0,1,0,0|1,1,0]=4 4777 B13R2.2130 CSc1ccc2c(c1)CNC2=O 62a_200000210301_100000692135 [0,1,0,1,0,0|1,1,0]=4 4778 B13R2.2130 CSc1ccc2c(c1)COC2=O 62a_100009816608_200000210301 [0,1,0,1,0,0|0,1,0]=3 4779 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,1,0,0|0,1,0]=3 4780 B13R2.2130 CSc1ccc2c(coc2c1)C 62a_200000210301_100010775837 [0,1,0,1,0,0|1,1,0]=4 4781 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_100009815287_200000210301 [0,1,0,1,0,0|1,1,0]=4 4782 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_200000210301_100009815287 [0,1,0,1,0,0|1,1,0]=4 4783 B13R2.2130 CSc1ccc2c(noc2c1)N 62a_100012356334_200000210301 [0,1,0,1,0,0|1,1,0]=4 4784 B13R2.2130 CSc1ccc2c(noc2c1)N 62a_200000210301_100012356334 [0,1,0,1,0,0|1,1,0]=4 4785 B13R2.2130 Cc1coc2c1ccc(c2)S[13CH3] 62a_200025704644_100010775837 [0,1,0,1,0,0|1,1,0]=4 4786 B13R2.2130 Cc1noc2c1ccc(c2)O[13CH3] 34a_200000076027_200025704644 [0,1,0,1,0,0|1,0,0]=3 4787 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_100009815287_200025704644 [0,1,0,1,0,0|1,1,0]=4 4788 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_200025704644_100009815287 [0,1,0,1,0,0|1,1,0]=4 4789 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,1,0,1,0,0|1,0,0]=3 4790 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,1,0,1,0,0|1,0,0]=3 4791 B13R2.2130 [13CH3]Oc1ccc2c(c1)CNC2=O 34a_100000098542_200025704644 [0,1,0,1,0,0|1,0,0]=3 4792 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,1,0,0|0,0,0]=2 4793 B13R2.2130 [13CH3]Sc1ccc2c(=O)[nH][nH]c2c1 62a_200025704644_100012353722 [0,1,0,1,0,0|1,1,0]=4 4794 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,1,0,1,0,0|1,1,0]=4 4795 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,1,0,1,0,0|1,1,0]=4 4796 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_100000737041_200025704644 [0,1,0,1,0,0|1,1,0]=4 4797 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_200025704644_100000737041 [0,1,0,1,0,0|1,1,0]=4 4798 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_100000692135_200025704644 [0,1,0,1,0,0|1,1,0]=4 4799 B13R2.2130 [13CH3]Sc1ccc2c(c1)CNC2=O 62a_200025704644_100000692135 [0,1,0,1,0,0|1,1,0]=4 4800 B13R2.2130 [13CH3]Sc1ccc2c(c1)COC2=O 62a_100009816608_200025704644 [0,1,0,1,0,0|0,1,0]=3 4801 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,1,0,0|0,1,0]=3 4802 B13R2.2130 [13CH3]Sc1ccc2c(noc2c1)N 62a_100012356334_200025704644 [0,1,0,1,0,0|1,1,0]=4 4803 B13R2.2130 [13CH3]Sc1ccc2c(noc2c1)N 62a_200025704644_100012356334 [0,1,0,1,0,0|1,1,0]=4 4804 B13R2.430 C=C(C)c1ccc2c(c1)CCO2 271570a_100000694244_100000729065 [0,1,0,1,0,0|2,0,0]=4 4805 B13R2.430 C=C(C)c1ccc2c(c1)COC2 271570a_100000694244_100000698232 [0,1,0,1,0,0|2,0,0]=4 4806 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|2,0,0]=4 4807 B13R2.430 CC(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200000210301 [0,1,0,1,0,0|2,0,0]=4 4808 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|1,0,0]=3 4809 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|1,0,0]=3 4810 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,1,0,1,0,0|2,0,0]=4 4811 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,1,0,1,0,0|1,0,1]=4 4812 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,1,0,1,0,0|1,0,1]=4 4813 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCC2 1458a_100000195560_200025704644 [0,1,0,1,0,0|2,0,0]=4 4814 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|1,0,0]=3 4815 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|1,0,0]=3 4816 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,1,0,1,0,0|2,0,0]=4 4817 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,1,0,1,0,0|1,0,1]=4 4818 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,1,0,1,0,0|1,0,1]=4 4819 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200000210301 [0,1,0,1,0,0|2,0,0]=4 4820 B13R2.428 CC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000185465 [0,1,0,1,0,0|2,0,0]=4 4821 B13R2.428 NC(=O)c1ccc(cc1)C2CC2 271570a_100011220607_100000162191 [0,1,0,1,0,0|2,0,0]=4 4822 B13R2.428 [13CH3]C(=O)c1ccc(cc1)C2CC2 1458a_100011688853_200025704644 [0,1,0,1,0,0|2,0,0]=4 4823 B9R1.21 CSc1c[nH]c(c1)C=O 62a_100000720742_200000210301 [1,0,0,0,1,0|1,1,0]=4 4824 B9R1.21 CSc1c[nH]c(c1)C=O 62a_200000210301_100000720742 [1,0,0,0,1,0|1,1,0]=4 4825 B9R1.21 CSc1cc(c[nH]1)C=O 62a_100009882863_200000210301 [1,0,0,0,1,0|1,1,0]=4 4826 B9R1.21 CSc1cc(c[nH]1)C=O 62a_200000210301_100009882863 [1,0,0,0,1,0|1,1,0]=4 4827 B9R1.21 CSc1cc(cs1)C=O 62a_100000737087_200000210301 [1,0,0,0,1,0|1,1,0]=4 4828 B9R1.21 CSc1cc(cs1)C=O 62a_200000210301_100000737087 [1,0,0,0,1,0|1,1,0]=4 4829 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,0,0,0,1,0|1,1,0]=4 4830 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,0,0,0,1,0|1,1,0]=4 4831 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,0,0,0,1,0|1,1,0]=4 4832 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,0,0,0,1,0|1,1,0]=4 4833 B9R1.21 CSc1coc(c1)C=O 62a_100000747035_200000210301 [1,0,0,0,1,0|1,1,0]=4 4834 B9R1.21 CSc1coc(c1)C=O 62a_200000210301_100000747035 [1,0,0,0,1,0|1,1,0]=4 4835 B9R1.21 CSc1csc(c1)C=O 62a_100000211722_200000210301 [1,0,0,0,1,0|1,1,0]=4 4836 B9R1.21 CSc1csc(c1)C=O 62a_200000210301_100000211722 [1,0,0,0,1,0|1,1,0]=4 4837 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_100000720742_200025704644 [1,0,0,0,1,0|1,1,0]=4 4838 B9R1.21 [13CH3]Sc1c[nH]c(c1)C=O 62a_200025704644_100000720742 [1,0,0,0,1,0|1,1,0]=4 4839 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_100009882863_200025704644 [1,0,0,0,1,0|1,1,0]=4 4840 B9R1.21 [13CH3]Sc1cc(c[nH]1)C=O 62a_200025704644_100009882863 [1,0,0,0,1,0|1,1,0]=4 4841 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_100000737087_200025704644 [1,0,0,0,1,0|1,1,0]=4 4842 B9R1.21 [13CH3]Sc1cc(cs1)C=O 62a_200025704644_100000737087 [1,0,0,0,1,0|1,1,0]=4 4843 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,0,0,0,1,0|1,1,0]=4 4844 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,0,0,0,1,0|1,1,0]=4 4845 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,0,0,0,1,0|1,1,0]=4 4846 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,0,0,0,1,0|1,1,0]=4 4847 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_100000747035_200025704644 [1,0,0,0,1,0|1,1,0]=4 4848 B9R1.21 [13CH3]Sc1coc(c1)C=O 62a_200025704644_100000747035 [1,0,0,0,1,0|1,1,0]=4 4849 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_100000211722_200025704644 [1,0,0,0,1,0|1,1,0]=4 4850 B9R1.21 [13CH3]Sc1csc(c1)C=O 62a_200025704644_100000211722 [1,0,0,0,1,0|1,1,0]=4 4851 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,1,0|2,0,0]=4 4852 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,1,0|2,0,0]=4 4853 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,1,0|2,0,0]=4 4854 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,1,0|2,0,0]=4 4855 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,1,0|2,0,0]=4 4856 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,1,0|2,0,0]=4 4857 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,0,0,0,1,0|2,0,0]=4 4858 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,0,0,0,1,0|2,0,0]=4 4859 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,1,0|2,0,0]=4 4860 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [1,0,0,0,1,0|2,0,0]=4 4861 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,0,0,0,0,1|2,0,0]=4 4862 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,1|2,0,0]=4 4863 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,1|2,0,0]=4 4864 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,1|2,0,0]=4 4865 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,1|1,0,0]=3 4866 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,1|1,0,0]=3 4867 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,1|2,0,0]=4 4868 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,1|2,0,0]=4 4869 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,1|2,0,0]=4 4870 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,1|2,0,0]=4 4871 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,1|2,0,0]=4 4872 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,1|2,0,0]=4 4873 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|1,0,0]=3 4874 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|1,0,0]=3 4875 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,0,0,0,0,1|2,0,0]=4 4876 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,0,0,0,0,1|2,0,0]=4 4877 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,0,0,0,0,1|2,0,0]=4 4878 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,0,0,0,0,1|2,0,0]=4 4879 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 4880 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 4881 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,1|2,0,0]=4 4882 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,1|2,0,0]=4 4883 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,1|1,0,0]=3 4884 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,1|1,0,0]=3 4885 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,1|1,0,0]=3 4886 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,1|1,0,0]=3 4887 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 4888 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 4889 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,1|2,0,0]=4 4890 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,1|2,0,0]=4 4891 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 4892 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 4893 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,1|2,0,0]=4 4894 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,1|2,0,0]=4 4895 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 4896 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 4897 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,1|2,0,0]=4 4898 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,1|2,0,0]=4 4899 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|1,0,0]=3 4900 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|1,0,0]=3 4901 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,0,0,0,0,1|2,0,0]=4 4902 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,0,0,0,0,1|2,0,0]=4 4903 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|1,0,0]=3 4904 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|1,0,0]=3 4905 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,1|1,1,0]=4 4906 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,1|1,0,0]=3 4907 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,0,0,0,0,1|2,0,0]=4 4908 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,0,0,0,0,1|2,0,0]=4 4909 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,1|1,0,0]=3 4910 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,0,0,0,0,1|2,0,0]=4 4911 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,0,0,0,0,1|2,0,0]=4 4912 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,1|1,0,0]=3 4913 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,0,1|2,0,0]=4 4914 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,0,1|2,0,0]=4 4915 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,1|2,0,0]=4 4916 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,1|2,0,0]=4 4917 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,1|2,0,0]=4 4918 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,1|2,0,0]=4 4919 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|1,0,0]=3 4920 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,0,0,0,1,1|2,0,0]=4 4921 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,0,0,0,1,1|2,0,0]=4 4922 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [0,0,0,0,1,1|2,0,0]=4 4923 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,0,0,0,1,1|2,0,0]=4 4924 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,0,0,0,1,1|1,1,0]=4 4925 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,0,0,0,1,1|1,1,0]=4 4926 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,0,0,0,1,1|1,0,0]=3 4927 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,0,0,0,1,1|1,0,0]=3 4928 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,0,0,0,1,1|1,1,0]=4 4929 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,0,0,0,1,1|1,1,0]=4 4930 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,0,0,0,1,1|1,1,0]=4 4931 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,0,0,0,1,1|1,1,0]=4 4932 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,0,0,0,1,1|1,1,0]=4 4933 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,0,0,0,1,1|1,1,0]=4 4934 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,0,0,0,1,1|1,0,1]=4 4935 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,0,0,0,1,1|1,0,1]=4 4936 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,0,0,0,1,1|2,0,0]=4 4937 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,0,0,0,1,1|2,0,0]=4 4938 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,0,0,0,1,1|2,0,0]=4 4939 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,0,0,0,1,1|2,0,0]=4 4940 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,0,0,0,1,1|1,0,0]=3 4941 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,0,0,0,1,1|1,0,0]=3 4942 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,0,0,0,1,1|1,0,0]=3 4943 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,0,0,0,1,1|1,0,0]=3 4944 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,0,0,0,1,1|1,0,0]=3 4945 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,0,0,0,1,1|1,0,0]=3 4946 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,0,0,0,1,1|1,1,0]=4 4947 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,0,0,0,1,1|1,0,1]=4 4948 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,0,0,0,1,1|1,0,1]=4 4949 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,0,0,0,1,1|1,0,1]=4 4950 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,0,0,0,1,1|1,0,1]=4 4951 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,0,0,0,1,1|1,0,0]=3 4952 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [0,0,0,0,1,1|1,0,1]=4 4953 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [0,0,0,0,1,1|1,0,1]=4 4954 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,0,0,0,1,1|1,1,0]=4 4955 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,0,0,0,1,1|1,1,0]=4 4956 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,0,0,0,1,1|1,1,0]=4 4957 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,0,0,0,1,1|1,1,0]=4 4958 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,0,0,0,1,1|1,1,0]=4 4959 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,0,0,0,1,1|1,1,0]=4 4960 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,0,0,0,1,1|1,1,0]=4 4961 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,0,0,0,1,1|1,1,0]=4 4962 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,0,0,0,1,1|1,1,0]=4 4963 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,0,0,0,1,1|1,1,0]=4 4964 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,0,0,0,1,1|1,1,0]=4 4965 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,0,0,0,1,1|1,1,0]=4 4966 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,0,0,0,1,1|1,1,0]=4 4967 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,0,0,0,1,1|1,1,0]=4 4968 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,0,0,0,1,1|1,1,0]=4 4969 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,0,0,0,1,1|1,1,0]=4 4970 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,0,0,0,1,1|1,1,0]=4 4971 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,0,0,0,1,1|1,1,0]=4 4972 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,0,0,0,1,1|2,0,0]=4 4973 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,0,0,0,1,1|1,0,0]=3 4974 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,0,0,0,1,1|1,0,0]=3 4975 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,0,0,0,1,1|1,1,0]=4 4976 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,0,0,0,1,1|1,0,1]=4 4977 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,0,0,0,1,1|1,0,1]=4 4978 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,0,0,0,1,1|1,0,0]=3 4979 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [0,0,0,0,1,1|1,0,1]=4 4980 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [0,0,0,0,1,1|1,0,1]=4 4981 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,0,0,0,1,1|1,1,0]=4 4982 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,0,0,0,1,1|1,1,0]=4 4983 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,0,0,0,1,1|1,1,0]=4 4984 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,0,0,0,1,1|1,1,0]=4 4985 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,0,0,0,1,1|1,1,0]=4 4986 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,0,0,0,1,1|1,1,0]=4 4987 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,0,0,0,1,1|1,1,0]=4 4988 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,0,0,0,1,1|1,1,0]=4 4989 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,0,0,0,0,2|2,0,0]=4 4990 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,0,0,0,0,2|2,0,0]=4 4991 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,0,0,0,0,2|2,0,0]=4 4992 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,0,0,0,0,2|2,0,0]=4 4993 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,0,0,0,0,2|2,0,0]=4 4994 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,0,0,0,0,2|2,0,0]=4 4995 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,0,0,0,0,2|1,0,0]=3 4996 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200016259395_200025704644 [0,0,0,0,0,2|1,1,0]=4 4997 B13R1.3 CC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_200016259395 [0,0,0,0,0,2|1,1,0]=4 4998 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,0,0,0,0,2|1,0,0]=3 4999 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,0,0,0,0,2|1,0,0]=3 5000 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,0,0,0,0,2|1,1,0]=4 5001 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,0,0,0,0,2|1,1,0]=4 5002 B13R1.3 CC(=O)NCc1ccc(cc1)N[13CH3] 34a_100000755463_200025704644 [0,0,0,0,0,2|2,0,0]=4 5003 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200000685173_200025704644 [0,0,0,0,0,2|1,1,0]=4 5004 B13R1.3 CC(=O)NCc1ccc(cc1)S[13CH3] 62a_200025704644_200000685173 [0,0,0,0,0,2|1,1,0]=4 5005 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200009815283_200025704644 [0,0,0,0,0,2|1,1,0]=4 5006 B13R1.3 CC(=O)NNc1ccc(cc1)S[13CH3] 62a_200025704644_200009815283 [0,0,0,0,0,2|1,1,0]=4 5007 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 34a_100000189425_200025704644 [0,0,0,0,0,2|1,0,1]=4 5008 B13R1.3 CC(O)CCc1ccc(cc1)O[13CH3] 7a_100000189425_200025704644 [0,0,0,0,0,2|1,0,1]=4 5009 B13R1.3 CCc1ccc(cc1)C=CC(=O)C 1458a_100000187855_200000210301 [0,0,0,0,0,2|2,0,0]=4 5010 B13R1.3 CCc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000187855_200025704644 [0,0,0,0,0,2|2,0,0]=4 5011 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,0,0,0,0,2|2,0,0]=4 5012 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,0,0,0,0,2|2,0,0]=4 5013 B13R1.3 CCc1ccc(cc1)CNC(=O)C 11a_100000721222_100015343762 [0,0,0,0,0,2|2,0,0]=4 5014 B13R1.3 CCc1ccc(cc1)CNC(=O)C 1626a_100000721222_100015343762 [0,0,0,0,0,2|2,0,0]=4 5015 B13R1.3 CCc1ccc(cc1)CNC(=O)C 240690a_100000721222_100015343762 [0,0,0,0,0,2|2,0,0]=4 5016 B13R1.3 CCc1ccc(cc1)CNC(=O)C 527a_100000721222_100103153847 [0,0,0,0,0,2|2,0,0]=4 5017 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,0,0,0,0,2|2,0,0]=4 5018 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,0,0,0,0,2|2,0,0]=4 5019 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,0,0,0,0,2|1,0,1]=4 5020 B13R1.3 CCc1ccc(cc1)NNC(=O)C 22a_100015204395_100000070787 [0,0,0,0,0,2|2,0,0]=4 5021 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,0,0,0,0,2|2,0,0]=4 5022 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,0,0,0,0,2|2,0,0]=4 5023 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,0,0,0,0,2|2,0,0]=4 5024 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,0,0,0,0,2|2,0,0]=4 5025 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,0,0,0,0,2|1,0,1]=4 5026 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,0,0,0,0,2|2,0,0]=4 5027 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,0,0,0,0,2|2,0,0]=4 5028 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,0,0,0,0,2|1,0,1]=4 5029 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,0,0,0,0,2|1,0,1]=4 5030 B13R1.3 CNc1ccc(cc1)CNC(=O)C 34a_100000755463_200000210301 [0,0,0,0,0,2|2,0,0]=4 5031 B13R1.3 CNc1ccc(cc1)CNC(=O)N 34a_100000747042_200000210301 [0,0,0,0,0,2|2,0,0]=4 5032 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,0,0,0,0,2|2,0,0]=4 5033 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,0,0,0,0,2|2,0,0]=4 5034 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,0,0,0,0,2|2,0,0]=4 5035 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,0,0,0,0,2|1,0,1]=4 5036 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000743151_100000747473 [0,0,0,0,0,2|2,0,0]=4 5037 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000747473_100000743151 [0,0,0,0,0,2|2,0,0]=4 5038 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100000743151_100020667443 [0,0,0,0,0,2|1,0,1]=4 5039 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000743151 [0,0,0,0,0,2|1,0,1]=4 5040 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,0,0,0,0,2|1,0,0]=3 5041 B13R1.3 COc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200000210301 [0,0,0,0,0,2|1,0,1]=4 5042 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,0,0,0,0,2|1,0,0]=3 5043 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,0,0,0,0,2|1,0,0]=3 5044 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,0,0,0,0,2|1,0,0]=3 5045 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,0,0,0,0,2|1,0,0]=3 5046 B13R1.3 COc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000171711 [0,0,0,0,0,2|1,0,1]=4 5047 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,0,0,0,0,2|1,0,0]=3 5048 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,0,0,0,0,2|1,0,0]=3 5049 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,0,0,0,0,2|1,0,0]=3 5050 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,0,0,0,0,2|1,0,0]=3 5051 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,0,0,0,0,2|1,0,0]=3 5052 B13R1.3 COc1ccc(cc1)CCC(C)O 34a_100000189425_200000210301 [0,0,0,0,0,2|1,0,1]=4 5053 B13R1.3 COc1ccc(cc1)CCC(C)O 7a_100000189425_200000210301 [0,0,0,0,0,2|1,0,1]=4 5054 B13R1.3 COc1ccc(cc1)CNC(=O)C 11a_100000185587_100015343762 [0,0,0,0,0,2|1,0,0]=3 5055 B13R1.3 COc1ccc(cc1)CNC(=O)C 1626a_100000185587_100015343762 [0,0,0,0,0,2|1,0,0]=3 5056 B13R1.3 COc1ccc(cc1)CNC(=O)C 240690a_100000185587_100015343762 [0,0,0,0,0,2|1,0,0]=3 5057 B13R1.3 COc1ccc(cc1)CNC(=O)C 527a_100000185587_100103153847 [0,0,0,0,0,2|1,0,0]=3 5058 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,0,0,0,0,2|1,0,0]=3 5059 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,0,0,0,0,2|0,0,1]=3 5060 B13R1.3 COc1ccc(cc1)NCC(C)O 34a_100000184247_100011218427 [0,0,0,0,0,2|1,0,1]=4 5061 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 34a_100000184247_100009817552 [0,0,0,0,0,2|1,0,1]=4 5062 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 34a_100000184247_100000761209 [0,0,0,0,0,2|1,0,1]=4 5063 B13R1.3 COc1ccc(cc1)NNC(=O)C 22a_100000005221_100000070787 [0,0,0,0,0,2|1,0,0]=3 5064 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,0,0,0,0,2|1,0,0]=3 5065 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,0,0,0,0,2|1,0,0]=3 5066 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,0,0,0,0,2|1,0,0]=3 5067 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,0,0,0,0,2|0,0,1]=3 5068 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,0,0,0,0,2|1,0,1]=4 5069 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,0,0,0,0,2|1,0,1]=4 5070 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,0,0,0,0,2|1,0,1]=4 5071 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,0,0,0,0,2|1,0,0]=3 5072 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,0,0,0,0,2|1,0,0]=3 5073 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,0,0,0,0,2|1,0,0]=3 5074 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,0,0,0,0,2|0,0,1]=3 5075 B13R1.3 COc1ccc(cc1)SCC(C)O 62a_100011218427_100000171711 [0,0,0,0,0,2|1,0,1]=4 5076 B13R1.3 COc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000171711 [0,0,0,0,0,2|1,0,1]=4 5077 B13R1.3 COc1ccc(cn1)CNC(=O)C 11a_100000241975_100015343762 [0,0,0,0,0,2|2,0,0]=4 5078 B13R1.3 COc1ccc(cn1)CNC(=O)C 1626a_100000241975_100015343762 [0,0,0,0,0,2|2,0,0]=4 5079 B13R1.3 COc1ccc(cn1)CNC(=O)C 240690a_100000241975_100015343762 [0,0,0,0,0,2|2,0,0]=4 5080 B13R1.3 COc1ccc(cn1)CNC(=O)C 527a_100000241975_100103153847 [0,0,0,0,0,2|2,0,0]=4 5081 B13R1.3 COc1ccc(cn1)NNC(=O)C 22a_100102564821_100000070787 [0,0,0,0,0,2|2,0,0]=4 5082 B13R1.3 COc1ccc(cn1)OCC(=O)N 34a_100011934560_100000187820 [0,0,0,0,0,2|2,0,0]=4 5083 B13R1.3 COc1ccc(cn1)OCC(=O)[O-] 34a_100011934560_100020667443 [0,0,0,0,0,2|1,0,1]=4 5084 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000047065_100000747473 [0,0,0,0,0,2|2,0,0]=4 5085 B13R1.3 COc1ccc(cn1)SCC(=O)N 62a_100000747473_100000047065 [0,0,0,0,0,2|2,0,0]=4 5086 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100000047065_100020667443 [0,0,0,0,0,2|1,0,1]=4 5087 B13R1.3 COc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000047065 [0,0,0,0,0,2|1,0,1]=4 5088 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,0,0,0,0,2|2,0,0]=4 5089 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,0,0,0,0,2|2,0,0]=4 5090 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,0,0,0,0,2|2,0,0]=4 5091 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,0,0,0,0,2|2,0,0]=4 5092 B13R1.3 COc1ccc(nc1)OCC(=O)N 34a_100012002028_100000187820 [0,0,0,0,0,2|2,0,0]=4 5093 B13R1.3 COc1ccc(nc1)OCC(=O)[O-] 34a_100012002028_100020667443 [0,0,0,0,0,2|1,0,1]=4 5094 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000747473_100000744180 [0,0,0,0,0,2|2,0,0]=4 5095 B13R1.3 COc1ccc(nc1)SCC(=O)N 62a_100000755202_100000747473 [0,0,0,0,0,2|2,0,0]=4 5096 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100000755202_100020667443 [0,0,0,0,0,2|1,0,1]=4 5097 B13R1.3 COc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000744180 [0,0,0,0,0,2|1,0,1]=4 5098 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200000210301_200016259395 [0,0,0,0,0,2|1,1,0]=4 5099 B13R1.3 CSc1ccc(cc1)/C=C/C(=O)C 62a_200016259395_200000210301 [0,0,0,0,0,2|1,1,0]=4 5100 B13R1.3 CSc1ccc(cc1)C=CC(=O)C 1458a_100102526083_200000210301 [0,0,0,0,0,2|1,1,0]=4 5101 B13R1.3 CSc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100102526083_200025704644 [0,0,0,0,0,2|1,1,0]=4 5102 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,0,0,0,0,2|1,1,0]=4 5103 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,0,0,0,0,2|1,1,0]=4 5104 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,0,0,0,0,2|1,1,0]=4 5105 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,0,0,0,0,2|1,1,0]=4 5106 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,0,0,0,0,2|1,1,0]=4 5107 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,0,0,0,0,2|1,1,0]=4 5108 B13R1.3 CSc1ccc(cc1)CNC(=O)C 11a_100000174980_100015343762 [0,0,0,0,0,2|1,1,0]=4 5109 B13R1.3 CSc1ccc(cc1)CNC(=O)C 240690a_100000174980_100015343762 [0,0,0,0,0,2|1,1,0]=4 5110 B13R1.3 CSc1ccc(cc1)CNC(=O)C 527a_100000174980_100103153847 [0,0,0,0,0,2|1,1,0]=4 5111 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000210301_200000685173 [0,0,0,0,0,2|1,1,0]=4 5112 B13R1.3 CSc1ccc(cc1)CNC(=O)C 62a_200000685173_200000210301 [0,0,0,0,0,2|1,1,0]=4 5113 B13R1.3 CSc1ccc(cc1)NCC(=O)N 34a_100000212337_100000187820 [0,0,0,0,0,2|1,1,0]=4 5114 B13R1.3 CSc1ccc(cc1)NCC(=O)[O-] 34a_100000212337_100020667443 [0,0,0,0,0,2|0,1,1]=4 5115 B13R1.3 CSc1ccc(cc1)NNC(=O)C 22a_100000006515_100000070787 [0,0,0,0,0,2|1,1,0]=4 5116 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200000210301_200009815283 [0,0,0,0,0,2|1,1,0]=4 5117 B13R1.3 CSc1ccc(cc1)NNC(=O)C 62a_200009815283_200000210301 [0,0,0,0,0,2|1,1,0]=4 5118 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,0,0,0,0,2|1,1,0]=4 5119 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,0,0,0,0,2|0,1,1]=4 5120 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000149456_200000210301 [0,0,0,0,0,2|1,1,0]=4 5121 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000747473_100011263217 [0,0,0,0,0,2|1,1,0]=4 5122 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100011263217_100000747473 [0,0,0,0,0,2|1,1,0]=4 5123 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_200000210301_100000149456 [0,0,0,0,0,2|1,1,0]=4 5124 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100011263217_100020667443 [0,0,0,0,0,2|0,1,1]=4 5125 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011263217 [0,0,0,0,0,2|0,1,1]=4 5126 B13R1.3 [13CH3]Nc1ccc(cc1)CNC(=O)N 34a_100000747042_200025704644 [0,0,0,0,0,2|2,0,0]=4 5127 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,0,0,0,0,2|2,0,0]=4 5128 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,0,0,0,0,2|2,0,0]=4 5129 B13R1.3 [13CH3]Oc1ccc(cc1)/C=C/[N+](=O)[O-] 34a_100102610870_200025704644 [0,0,0,0,0,2|1,0,1]=4 5130 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,0,0,0,0,2|1,1,0]=4 5131 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,0,0,0,0,2|1,1,0]=4 5132 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_100000149456_200025704644 [0,0,0,0,0,2|1,1,0]=4 5133 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_200025704644_100000149456 [0,0,0,0,0,2|1,1,0]=4