0 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.1 CNCC1=CC=C(Cl)N=C1 4035407 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.1 CSCC1=CC=C(Cl)N=C1 4039957 [0,0,0,0,0,0|3,1,0]=4 7 B10R1.1 N#CCC1=CC=C(Cl)N=C1 4108277 [0,0,0,0,0,0|1,1,2]=4 8 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [0,0,0,0,0,0|1,1,0]=2 9 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [0,0,0,0,0,0|1,1,0]=2 10 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [0,0,0,0,0,0|1,1,0]=2 12 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [0,0,0,0,0,0|1,1,0]=2 13 B9R1.1 CCC1=CN=C(O)N=C1 4044733 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.1 NCC1=NC=C(Cl)C=N1 4042491 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 BrCCC1=NC=CC=C1 4028495 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 BrCCC1=NC=CC=C1 4090022 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CNCC1=CC=CC=N1 4004537 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 NCCC1=NC=CN=C1 4003591 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=NC=CN=C1 4091207 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.1 C#CCOC1=CC=C(N)C=C1 4039862 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.1 C=CCOC1=CC=C(N)C=C1 4023587 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.1 CC1=CC=C(CCCN)C=C1 4016876 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 4041118 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.1 CC1=CC=C(SCCN)C=C1 6873887 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.1 CCCSC1=CC=C(N)C=C1 9071293 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.1 CCNCC1=CC=C(Br)C=C1 4028726 [0,1,0,0,0,0|1,1,0]=3 32 B11R1.1 CCNCC1=CC=C(Br)C=C1 4090790 [0,1,0,0,0,0|1,1,0]=3 33 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4024922 [0,1,0,0,0,0|1,1,0]=3 34 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4091184 [0,1,0,0,0,0|1,1,0]=3 35 B11R1.1 CCNCC1=CC=C(F)C=C1 4090089 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.1 CCNCC1=CC=C(F)C=C1 9072018 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.1 N#CCOC1=CC=C(Br)C=C1 4029062 [0,1,0,0,0,0|0,1,2]=4 38 B11R1.1 NCCCC1=CC=C(Cl)C=C1 4101635 [0,1,0,0,0,0|0,1,0]=2 39 B11R1.1 NCCCC1=CC=C(F)C=C1 4016879 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.1 NCCOC1=CC=C(Br)C=C1 4030874 [0,1,0,0,0,0|0,1,0]=2 41 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4028889 [0,1,0,0,0,0|0,1,0]=2 42 B11R1.1 NCCOC1=CC=C(F)C=C1 4015013 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.1 NCCOC1=CC=C(F)C=C1 4090877 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 4036355 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [0,1,0,0,0,0|2,1,0]=4 46 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [0,1,0,0,0,0|2,1,0]=4 47 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,0,0,0,0|0,1,1]=3 48 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,1,0,0,0,0|1,1,0]=3 56 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,1,0,0,0,0|1,1,0]=3 57 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,1,0,0,0,0|1,1,0]=3 59 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,1,0,0,0,0|2,1,0]=4 61 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 4027242 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.81 NCCC1=C(O)N=C(O)N=C1 4017968 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.83 CCC1=CC=C(CNN)C=C1 4015024 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.83 COC1=CC=C(CNN)C=C1 4014995 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.192 CCNC1=CC=C(Br)C(C)=C1 4029408 [0,1,0,0,0,0|2,1,0]=4 71 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4030157 [0,1,0,0,0,0|3,0,0]=4 72 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [0,0,0,1,0,0|1,1,0]=3 73 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [0,0,0,1,0,0|1,1,0]=3 74 B11R2.36 BrC1=CC=C2N=CNC2=C1 4016418 [0,0,0,1,0,0|1,1,1]=4 75 B11R2.36 ClC1=CC=C2CCCC2=N1 4020455 [0,0,0,1,0,0|2,1,0]=4 76 B11R2.36 FC1=CC=C2NN=CC2=C1 4028455 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.36 NC1=CC2=C(C=C1)COC2 4100713 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.36 O=C1C=CC2=C(CCC2)N1 4035360 [0,0,0,1,0,0|3,0,0]=4 79 B9R1.7 CC1=CC=C(CCN)O1 4004579 [0,0,0,0,1,0|2,0,0]=3 80 B9R1.7 CC1=CN(CCN)N=C1 4026810 [0,0,0,0,1,0|3,0,0]=4 81 B9R1.7 CC1=CSC(CCN)=N1 4004037 [0,0,0,0,1,0|3,0,0]=4 82 B9R1.7 CC1=NN(CCN)C=C1 4108972 [0,0,0,0,1,0|3,0,0]=4 83 B9R1.7 CN1C=C(CCN)C=N1 4088046 [0,0,0,0,1,0|3,0,0]=4 84 B9R1.7 CN1C=C(CCN)C=N1 4101521 [0,0,0,0,1,0|3,0,0]=4 85 B9R1.7 NCCC1=CSC(N)=N1 4010280 [0,0,0,0,1,0|3,0,0]=4 86 B9R1.7 NCCN1C=C(Cl)C=N1 4031697 [0,0,0,0,1,0|2,1,0]=4 87 B8R1.2 BrCC1=CN=CC=C1 4034752 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.2 NNC1=CC=CN=C1 4019584 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 NNC1=CC=NC=C1 4100548 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.3 NC1=CC=C(I)C=N1 3001813 [2,0,0,0,0,0|1,1,0]=4 91 B10R1.3 CCC1=CN=C(CO)C=C1 4011741 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.13 CC1=CN=C(C(C)N)C=C1 4032650 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [1,1,0,0,0,0|0,1,1]=4 96 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [1,1,0,0,0,0|0,0,1]=3 97 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.176 CC1=C(C)N=CC(CN)=C1 4035699 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.4 CC1=CC=CN=C1CCO 4040975 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.4 CCSC1=CC=CC=C1N 4091232 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.4 CCSC1=CC=CC=C1N 9071805 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.10 NC1=NC(CCO)=CC=C1 4078676 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.10 NCCC1=CC(O)=NC=N1 4034682 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.10 OCCC1=NC(Cl)=CC=C1 4110388 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.17 CCNCC1=NC=CC=C1 9070750 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.17 CNCCC1=CC=NC=C1 4004718 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.17 CNCCC1=CC=NC=C1 4087817 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.17 ICCOC1=CC=CC=C1 5101649 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.17 N#CCCC1=NC=CC=C1 4027495 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.17 NCCCC1=CC=CN=C1 4003523 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.17 NCCCC1=CC=NC=C1 4003521 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.17 NCCCC1=NC=CC=C1 4004571 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.17 NCCNC1=CC=CN=C1 4019594 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.17 NCCSC1=CC=CC=C1 4087772 [1,1,0,0,0,0|0,0,0]=2 136 B10R1.17 NCCSC1=NC=CC=C1 4004872 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [1,1,0,0,0,0|0,0,1]=3 138 B10R1.17 OCCNC1=CC=CC=N1 5107563 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.1 C#CCNCC1=CC=C(C)C=C1 4088330 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.1 C#CCNCC1=CC=C(C)C=C1 9071080 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.1 C#CCNCC1=CC=C(F)C=C1 4090525 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.1 C#CCNCC1=CC=C(F)C=C1 9071752 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.1 C=CCNCC1=CC=C(Br)C=C1 4088407 [0,2,0,0,0,0|1,1,0]=4 150 B12R1.1 C=CCNCC1=CC=C(Br)C=C1 9071341 [0,2,0,0,0,0|1,1,0]=4 151 B12R1.1 C=CCNCC1=CC=C(C)C=C1 4089384 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.1 C=CCNCC1=CC=C(C)C=C1 9070773 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.1 C=CCNCC1=CC=C(Cl)C=C1 4090241 [0,2,0,0,0,0|1,1,0]=4 154 B12R1.1 C=CCNCC1=CC=C(Cl)C=C1 9071055 [0,2,0,0,0,0|1,1,0]=4 155 B12R1.1 C=CCNCC1=CC=C(F)C=C1 4091111 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.1 C=CCNCC1=CC=C(F)C=C1 9070515 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.1 CC1=CC=C(CNCCO)C=C1 4090339 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.1 CC1=CC=C(CNCCO)C=C1 9070464 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.1 CC1=CC=C(CSCCO)C=C1 9071815 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.1 CC1=CN=C(NCCCN)C=C1 4025922 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 4022327 [0,2,0,0,0,0|1,1,0]=4 162 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 4089192 [0,2,0,0,0,0|1,1,0]=4 163 B12R1.1 CCCNCC1=CC=C(F)C=C1 4088361 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.1 CCCNCC1=CC=C(F)C=C1 9070448 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.1 CNCCOC1=CC=C(C)C=C1 4003089 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.1 CNCCOC1=CC=C(C)C=C1 4087777 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.1 CNCCSC1=CC=C(C)C=C1 4089614 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.1 CNCCSC1=CC=C(C)C=C1 9071937 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.1 COCCOC1=CC=C(N)C=C1 4003841 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.1 NCCCSC1=CC=C(Cl)C=C1 4032953 [0,2,0,0,0,0|0,1,0]=3 171 B12R1.1 NCCOCC1=CC=C(Cl)C=C1 9070890 [0,2,0,0,0,0|0,1,0]=3 172 B12R1.1 OCCNCC1=CC=C(Br)C=C1 4089638 [0,2,0,0,0,0|1,1,0]=4 173 B12R1.1 OCCNCC1=CC=C(Br)C=C1 7732645 [0,2,0,0,0,0|1,1,0]=4 174 B12R1.1 OCCNCC1=CC=C(F)C=C1 4004526 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.1 OCCNCC1=CC=C(F)C=C1 4087814 [0,2,0,0,0,0|1,0,0]=3 176 B12R1.1 OCCSCC1=CC=C(F)C=C1 9070910 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.16 CCCC(O)C1=CC=C(Br)C=C1 5101703 [0,2,0,0,0,0|1,1,0]=4 178 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 9071337 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4017585 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 4022320 [0,2,0,0,0,0|1,1,0]=4 181 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4022326 [0,2,0,0,0,0|1,1,0]=4 182 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 4089158 [0,2,0,0,0,0|1,1,0]=4 183 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 4089696 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 5402692 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 4017387 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 4027657 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4013688 [0,2,0,0,0,0|0,1,1]=4 188 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 4090822 [0,2,0,0,0,0|0,1,1]=4 189 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 5122041 [0,2,0,0,0,0|0,1,1]=4 190 B12R1.21 NC(=O)CSC1=CC=C(Br)C=C1 7758268 [0,2,0,0,0,0|0,1,1]=4 191 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4026869 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4026826 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.49 CCC(C)OC1=CC=C(N)C=C1 4090930 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.49 CNC(=O)CC1=CC=C(Br)C=C1 6230715 [0,2,0,0,0,0|0,1,1]=4 195 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 4032694 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 3014953 [0,2,0,0,0,0|0,1,1]=4 197 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 3014952 [0,2,0,0,0,0|0,1,1]=4 198 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 3015278 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 4045071 [0,2,0,0,0,0|1,0,1]=4 200 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 4023666 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.69 CC1=CC(C)=C(OCCBr)C=C1 5580615 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.69 CCCOC1=C(Cl)C=C(N)C=C1 4028610 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.71 CCC1=CC=C(OCCN)C=C1 4033258 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.71 CCNCC1=CC=C(CC)C=C1 4088360 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.71 CCNCC1=CC=C(CC)C=C1 9071424 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.71 CCNCC1=CC=C(SC)C=C1 4090824 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.71 CCNCC1=CC=C(SC)C=C1 9070832 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.71 COC1=CC=C(CCCN)C=C1 4016880 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.71 COC1=CC=C(CCCN)C=C1 4087878 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.71 COC1=CC=C(OCCCl)C=C1 9071331 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 4089285 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.385 CC1=C(C)C=C(OCCN)C=C1 6679953 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4012623 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 4032430 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4002329 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 4087761 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 4103849 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 4093858 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.12 CCC(NC)C1=CC=C(Br)C=C1 4024352 [0,2,0,0,0,0|1,1,0]=4 220 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4032465 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088468 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.367 CC[C@@H](N)C1=CC=C(C)C(C)=C1 4093962 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.367 CC[C@H](N)C1=CC=C(C)C(C)=C1 4092259 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4019831 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 4088582 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.1703 CC[C@@H](N)C1=CC=C(C)C=C1C 4103962 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.1703 CC[C@H](N)C1=CC=C(C)C=C1C 4092139 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 4013893 [0,2,0,0,0,0|1,0,0]=3 229 B12R2.24 OC1=CC2=C(C=C1)CCNC2 4039430 [0,1,0,1,0,0|1,0,0]=3 230 B12R2.24 OC1=CC=C2OCCOC2=C1 4003146 [0,1,0,1,0,0|2,0,0]=4 231 B12R2.132 O=C1NCC2=CC=C(F)C=C12 4036568 [0,1,0,1,0,0|1,0,1]=4 232 B12R2.2302 FC1=CC=C(C2CCN2)C=C1 4019058 [0,1,0,1,0,0|0,0,0]=2 233 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4021865 [0,1,0,1,0,0|1,0,1]=4 234 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 4035497 [0,1,0,1,0,0|1,0,1]=4 235 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 4035975 [0,1,0,1,0,0|1,0,1]=4 236 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 4032241 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 4032797 [0,1,0,1,0,0|1,1,0]=4 238 B12R2.44 NNC1=CC2=C(C=C1)CCC2 4011144 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.44 NNC1=CC2=C(C=C1)CCC2 4089943 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.1 CC1=CC=C(CN)S1 4100660 [1,0,0,0,1,0|2,0,0]=4 241 B8R1.1 NCC1=CC=C(Br)S1 4089738 [1,0,0,0,1,0|1,1,0]=4 242 B8R1.1 NCC1=CC=C(Br)S1 4191314 [1,0,0,0,1,0|1,1,0]=4 243 B8R1.8 NCCC1=CC=CO1 4100671 [1,0,0,0,1,0|1,0,0]=3 244 B8R1.8 NCCC1=CC=NN1 4003532 [1,0,0,0,1,0|2,0,0]=4 245 B8R1.8 NCCC1=CNN=C1 4101520 [1,0,0,0,1,0|2,0,0]=4 246 B8R1.8 NCCC1=CSC=N1 4004027 [1,0,0,0,1,0|2,0,0]=4 247 B8R1.8 NCCC1=NC=CN1 4013124 [1,0,0,0,1,0|2,0,0]=4 248 B8R1.8 NCCC1=NC=CS1 4100726 [1,0,0,0,1,0|2,0,0]=4 249 B8R1.8 NCCN1C=CC=C1 4028584 [1,0,0,0,1,0|1,0,0]=3 250 B8R1.8 NCCN1C=CC=N1 2102292 [1,0,0,0,1,0|2,0,0]=4 251 B8R1.8 NCCN1C=CC=N1 4087747 [1,0,0,0,1,0|2,0,0]=4 252 B8R1.8 NCCN1C=CN=C1 4100002 [1,0,0,0,1,0|2,0,0]=4 253 B8R1.8 NNCC1=CC=CS1 4044222 [1,0,0,0,1,0|2,0,0]=4