0 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 4032466 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.40 NNC(=O)CC1=CC=NC=C1 4036772 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.40 NNC(=O)CC1=NC=CC=C1 4036750 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.86 CC(=O)NC1=NC=CC=C1O 4032188 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.86 O=C(O)CN1C=CC=CC1=O 4029932 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.86 O=C(O)CN1C=CC=NC1=O 4028397 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 4002456 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.157 CC(=O)CC1=CC=CC(C)=N1 4000002 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4108227 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [0,1,0,0,0,0|1,0,0]=2 41 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.10 NC1=NC2=NC=CC=C2O1 4032518 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,0,0,0,1,0|2,1,0]=4 44 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [0,0,0,0,1,0|1,0,1]=3 45 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [0,0,0,0,1,0|1,0,1]=3 46 B9R1.6 OB(O)C1=CC=NC=C1 3200984 [0,0,0,0,1,0|2,0,1]=4 47 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.13 O=C(O)CC1=CC=NN1 4004807 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.13 O=C(O)CC1=CSC=N1 2402341 [0,0,0,0,1,0|2,0,0]=3 51 B9R1.13 O=C(O)CN1C=CC=C1 4027952 [0,0,0,0,1,0|1,0,0]=2 52 B9R1.13 O=C(O)CN1C=CC=N1 2402291 [0,0,0,0,1,0|2,0,0]=3 53 B9R1.13 O=C(O)CN1C=CN=C1 4400175 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.13 O=C(O)CN1C=CN=N1 4029091 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.13 O=C(O)CN1C=NN=C1 4042349 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.13 O=C(O)CN1N=CC=N1 4030596 [0,0,0,0,1,0|3,0,0]=4 57 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,0,0,0,0,1|2,0,0]=3 58 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [0,0,0,0,0,1|2,0,0]=3 59 B11R1.91 N=C(N)NCC1=CC=CN=C1 4015988 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.91 N=C(N)NCC1=CC=CN=C1 4088063 [0,0,0,0,0,1|3,0,0]=4 61 B11R1.91 N=C(N)NCC1=CC=NC=C1 4015990 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.91 N=C(N)NCC1=CC=NC=C1 4089065 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.91 O=C(O)CCC1=CC=NC=C1 4004170 [0,0,0,0,0,1|1,0,0]=2 64 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,0,0,0,0,1|1,0,0]=2 65 B11R1.91 O=C(O)CCC1=NC=CN=C1 4003578 [0,0,0,0,0,1|2,0,0]=3 66 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [0,0,0,0,0,1|1,0,0]=2 67 B11R1.91 O=C(O)CSC1=NC=CC=C1 4400385 [0,0,0,0,0,1|1,0,0]=2 68 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [1,1,0,0,0,0|0,0,1]=3 77 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.4 CC1=CC=CN=C1CCO 4040975 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 NC1=NC(CCO)=CC=C1 4078676 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.10 OCCC1=NC(Cl)=CC=C1 4110388 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.17 ICCOC1=CC=CC=C1 5101649 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.17 NCCSC1=CC=CC=C1 4087772 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.17 OCCNC1=CC=CC=N1 5107563 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [0,1,0,0,1,0|1,0,1]=4 94 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [0,1,0,0,1,0|1,0,1]=4 99 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [0,1,0,0,1,0|1,0,1]=4 100 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [0,1,0,0,1,0|1,1,0]=4 102 B10R1.61 CC1=NC=NC=C1C(=O)O 4026899 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [0,1,0,0,1,0|1,1,0]=4 104 B10R1.61 O=C(O)C1=C(O)N=CC=N1 4031675 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [0,1,0,0,1,0|1,0,0]=3 106 B10R1.61 O=C(O)C1=CN=CNC1=O 4030362 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.113 CC1=CC(B(O)O)=CC=C1 4200594 [0,1,0,0,1,0|1,0,1]=4 109 B10R1.113 CC1=NC(C(=O)O)=CC=N1 4029632 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.113 NC(=O)C1=CC(I)=NC=C1 4030202 [0,1,0,0,1,0|2,0,0]=4 111 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [0,1,0,0,1,0|2,0,0]=4 112 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [0,1,0,0,1,0|1,0,0]=3 113 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [0,1,0,0,1,0|1,0,0]=3 114 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,1,0,0,1,0|1,0,0]=3 115 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 4028732 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.23 CC(C(=O)O)N1C=CC=C1 4028103 [0,1,0,0,1,0|1,0,0]=3 117 B10R1.23 CC(C(=O)O)N1C=CC=N1 4401706 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.23 CC(C(=O)O)N1C=CN=C1 4401707 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 4044205 [0,1,0,0,1,0|1,0,0]=3 120 B10R1.27 CCC(=O)CC1=CC=CO1 4027298 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.27 NNC(=O)CC1=CC=CS1 3015007 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.54 CC1=CN(CC(=O)O)N=C1 4028024 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.54 CC1=NC(CC(=O)O)=CS1 4400881 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.54 CC1=NN(CC(=O)O)C=C1 4400226 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.54 NC1=CN(CC(=O)O)N=C1 4011079 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.54 O=C(O)CN1C=C(Br)C=N1 4032060 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.64 CC1=C(CC(=O)O)N=CN1 4005589 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.64 CC1=NC=CN1CC(=O)O 4009535 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.64 O=C(O)CC1=CNN=C1O 4012639 [0,1,0,0,1,0|2,0,0]=4 130 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4023586 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 4089199 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 4035228 [0,1,0,0,0,1|2,0,0]=4 133 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 3005326 [0,1,0,0,0,1|0,0,1]=3 134 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4013688 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4090822 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,1,0,0,0,1|1,0,0]=3 137 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [0,1,0,0,0,1|1,0,0]=3 138 B12R1.21 O=C(O)CCC1=NNC(=O)C=C1 4000141 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 5368059 [0,1,0,0,0,1|0,0,0]=2 140 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [0,1,0,0,0,1|0,0,0]=2 141 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3005240 [0,1,0,0,0,1|0,0,1]=3 142 B12R1.27 NNC(=O)CCC1=CC=CC=C1 3017808 [0,1,0,0,0,1|1,0,0]=3 143 B12R1.27 NNC(=O)CCC1=CC=CC=C1 4045083 [0,1,0,0,0,1|1,0,0]=3 144 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 4023673 [0,1,0,0,0,1|1,0,0]=3 145 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 3001886 [0,1,0,0,0,1|0,0,0]=2 146 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O 4400386 [0,1,0,0,0,1|1,0,0]=3 147 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4015994 [0,1,0,0,0,1|2,0,0]=4 148 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N 4090580 [0,1,0,0,0,1|2,0,0]=4 149 B12R1.43 CN(CC1=CC=CC=C1)C(N)=S 4009975 [0,1,0,0,0,1|1,1,0]=4 150 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,1,0,0,0,1|0,0,1]=3 151 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4002596 [0,1,0,0,0,1|2,0,0]=4 152 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 4090863 [0,1,0,0,0,1|2,0,0]=4 153 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 4026827 [0,1,0,0,0,1|0,0,0]=2 154 B12R1.125 C=C(C)COC1=CC=CC=C1N 4023577 [0,1,0,0,0,1|2,0,0]=4 155 B12R1.125 C=C(C)COC1=CC=CC=C1N 4089397 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.125 CC1=C(SCC(=O)O)C=CC=C1 5232614 [0,1,0,0,0,1|0,0,0]=2 157 B12R1.125 NC(=O)COC1=C(O)C=CC=C1 5144033 [0,1,0,0,0,1|1,0,0]=3 158 B12R1.125 O=C(O)CCN1C=CC=CC1=O 4043762 [0,1,0,0,0,1|1,0,0]=3 159 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 4028464 [0,1,0,0,0,1|0,0,0]=2 160 B12R1.125 O=C(O)COC1=CC=CC=C1Br 3013825 [0,1,0,0,0,1|0,0,0]=2 161 B12R1.125 O=C(O)COC1=CC=CC=C1F 3013975 [0,1,0,0,0,1|0,0,0]=2 162 B12R1.226 C=C(C)COC1=CC=CC(N)=C1 4023581 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.226 CC(=O)NCC1=CC(Br)=CC=C1 9070602 [0,1,0,0,0,1|1,0,0]=3 164 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 3001595 [0,1,0,0,0,1|0,0,0]=2 165 B12R1.226 N=C(N)COC1=CC(F)=CC=C1 4014683 [0,1,0,0,0,1|2,0,0]=4 166 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4013689 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.226 N=C(N)COC1=CC=CC(Cl)=C1 4089232 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.226 NC(=O)COC1=CC=CC(Br)=C1 9071988 [0,1,0,0,0,1|1,0,0]=3 169 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 4027053 [0,1,0,0,0,1|0,0,0]=2 170 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,1,0,0,0,1|0,0,1]=3 171 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 3013974 [0,1,0,0,0,1|0,0,0]=2 172 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 5871696 [0,1,0,0,0,1|0,0,0]=2 173 B12R1.226 O=C(O)CSC1=CN=CC(Cl)=N1 5631227 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 5301234 [0,2,0,0,0,0|0,0,0]=2 175 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.19 CC(=O)NC1=CC(N)=C(F)C=C1 4029877 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.19 CC(=O)NC1=CC=C(C)C(N)=C1 4027038 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.19 CC(=O)NC1=CC=C(N)C(C)=C1 4028746 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C 4030379 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 5304453 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 4023670 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 3015627 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 6230715 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 4032694 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 3014953 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 3014952 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 3015278 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 4045071 [0,2,0,0,0,0|1,0,0]=3 189 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 4023666 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 4035478 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 4032430 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.233 CC(=O)NC1=C(Br)C=C(Cl)C=C1 4029939 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.233 CC(=O)NC1=C(F)C=C(N)C=C1 4033744 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.233 CC(=O)NC1=C(F)C=C(N)C=C1 4088229 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.233 CC(=O)NC1=C(N)C=C(Cl)C=C1 4025073 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 4032446 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N 4028039 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.233 NC1=NC=C(CC(=O)O)C(=O)N1 4025626 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O 4035733 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 4023682 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 4034385 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 3002604 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.225 CC(=O)N(C)C1=CC(N)=CC=C1 4032077 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 4043672 [0,2,0,0,0,0|0,0,0]=2 205 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 4023843 [0,2,0,0,0,0|0,0,0]=2 206 B12R1.32 NCCC(=O)NC1=CC=CC=C1 4028558 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 4023662 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.50 CC1=CC(NC(=O)CCl)=CC=C1 3015628 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 4032584 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.50 COC(=O)CC1=CC=CC(Br)=N1 4046328 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4033474 [0,2,0,0,0,0|0,0,0]=2 212 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 4090278 [0,2,0,0,0,0|0,0,0]=2 213 B12R1.50 COC(=O)NC1=CC=CC(N)=C1 4033700 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.50 COC(=O)NC1=CC=CC(N)=C1 4091194 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.371 CC1=CC=CC=C1NC(=O)CCl 3015629 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.371 CC1=CC=CC=C1NC(=O)CN 4090846 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.371 CC1=CC=CC=C1NC(=O)CN 5668895 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.371 CCC(=O)NC1=C(Br)C=CC=C1 5618445 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.371 CNC(=O)CC1=CC=CC=C1N 4032938 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4028930 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.371 NNC(=O)CC1=C(F)C=CC=C1 4045134 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.371 O=C(CCl)NC1=CC=CC=C1F 3005112 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.75 COC1=CC=CC=C1CC(=N)N 4012625 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.75 COC1=CC=CC=C1CC(=N)N 4090071 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.127 CC(=O)NC1=C(F)C=CC(N)=C1 4025071 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.127 CC(=O)NC1=C(F)C=CC(N)=C1 4088024 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl 6376432 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.127 CC1=NN(CC(=O)O)C(=O)C=C1 4000135 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.127 O=C(O)CC1=CC(=O)NNC1=O 4000131 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.127 O=C(O)CN1N=C(Cl)C=CC1=O 4000145 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.127 O=C(O)CN1NC(=O)C=CC1=O 4000130 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.151 CC1=C(CS(=O)(=O)Cl)C=CC=C1 4011668 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.224 CC(=O)NC1=CC=CC(N)=C1C 4025067 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.224 O=C(O)CC1=C(Br)C(F)=CC=C1 4108254 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.1009 CC(=O)NC1=C(O)C=CC=C1C 4034518 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.101 NC1=NC(CC(=O)O)=CC(=O)N1 4019616 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.119 CC1=CC=CC(CS(=O)(=O)Cl)=C1 4011665 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.438 CC(=O)NC1=CC(C#N)=CC=C1 4031484 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.66 O=C(O)CCC1=CSC=C1 4014842 [0,0,1,1,0,0|1,0,1]=4 240 B10R1.66 O=C(O)CCN1C=CC=C1 4027042 [0,0,1,1,0,0|1,0,1]=4 241 B10R1.66 O=C(O)\C=C\C1=CC=CS1 3002329 [0,0,1,1,0,0|1,0,1]=4 242 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 4002962 [0,0,0,1,0,1|1,0,0]=3 243 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4030655 [0,0,0,1,0,1|1,0,0]=3 244 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 4007276 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4013733 [0,1,0,1,0,0|1,0,1]=4 246 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 4035547 [0,1,0,1,0,0|2,0,0]=4 247 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 4035617 [0,1,0,1,0,0|1,0,0]=3 248 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 5195235 [0,1,0,1,0,0|2,0,0]=4 249 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 4003334 [0,1,0,1,0,0|2,0,0]=4 250 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4018330 [0,1,0,1,0,0|1,0,1]=4 251 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4021865 [0,1,0,1,0,0|1,0,0]=3 252 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 4031340 [0,1,0,1,0,0|1,0,0]=3 253 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 4035497 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.606 NC1=NC2=CC=C(Cl)C=C2O1 4044888 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 4035975 [0,1,0,1,0,0|2,0,0]=4 256 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 4004197 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.606 O=C1NC2=CC=C(F)C=C2O1 4041178 [0,1,0,1,0,0|1,0,0]=3 258 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 4003733 [0,1,0,1,0,0|1,0,0]=3 259 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 4011261 [0,1,0,1,0,0|1,0,0]=3 260 B12R2.32 NCC1=CC2=CC=CC=C2O1 4102882 [0,1,0,1,0,0|1,0,1]=4 261 B12R2.32 NCC1=NC2=CC=CC=C2O1 4101049 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 4100001 [0,1,0,1,0,0|2,0,0]=4 263 B12R2.32 O=CC1=CC2=CC=CC=C2N1 4130840 [0,1,0,1,0,0|1,0,1]=4 264 B12R2.32 O=CC1=CC2=CC=CC=C2S1 4300821 [0,1,0,1,0,0|0,1,1]=4 265 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 4300303 [0,1,0,1,0,0|2,0,0]=4 266 B12R2.32 OCC1CC2=CC=CC=C2O1 4086574 [0,1,0,1,0,0|0,0,2]=4 267 B12R2.202 CC1=C2N=C(N)OC2=CC=C1 4036192 [0,1,0,1,0,0|2,0,0]=4 268 B12R2.202 CC1=C2NC(=O)CC2=CC=C1 4041505 [0,1,0,1,0,0|1,0,0]=3 269 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 4013734 [0,1,0,1,0,0|1,0,1]=4 270 B12R2.202 NC1=NC2=CC=CC(Cl)=C2O1 4040807 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.202 O=C1NC2=C(N1)C(Br)=CC=C2 4071559 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.7 O=C(O)C1=CC=NS1 4031031 [0,0,0,0,2,0|2,0,0]=4 273 B8R1.7 O=C(O)C1=CSC=N1 2402329 [0,0,0,0,2,0|2,0,0]=4 274 B8R1.7 O=C(O)C1=CSN=C1 4402356 [0,0,0,0,2,0|2,0,0]=4 275 B8R1.7 O=C(O)C1=NNC=C1 3001705 [0,0,0,0,2,0|2,0,0]=4 276 B8R1.7 O=C(O)C1=NOC=C1 2402252 [0,0,0,0,2,0|2,0,0]=4 277 B12R1.252 N=C(N)CCCC1=CC=CC=C1 4059893 [0,0,0,0,0,2|2,0,0]=4