0 B8R1.2 BrCC1=CN=CC=C1 4034752 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 C#CC1=CN=CN=C1 4035047 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.2 ClCC1=NC=CC=N1 4009659 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 N#CC1=CC=CN=N1 4036463 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 NNC1=CC=CN=C1 4019584 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.2 NNC1=CC=NC=C1 4100548 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 NNC1=NC=CC=N1 4088465 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 NNC1=NC=CC=N1 4100952 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.3 NC1=NN=CC=C1 4030375 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.1 C#CC1=CC=C(C)C=N1 4035578 [0,1,0,0,0,0|1,0,2]=4 10 B9R1.1 C#CC1=CC=C(C)N=C1 4035058 [0,1,0,0,0,0|1,0,2]=4 11 B9R1.1 C#CC1=CN=C(N)C=C1 4042859 [0,1,0,0,0,0|1,0,2]=4 12 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.1 N#CC1=COC(=O)C=C1 4076346 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.1 NC1=NC=C(C=O)C=N1 4006165 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.2 C#CC1=CC(C)=CC=N1 4035992 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.2 C#CC1=CC=CC(C)=N1 4036372 [0,1,0,0,0,0|1,0,2]=4 21 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [0,1,0,0,0,0|0,0,0]=1 22 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.2 CC1=CC(NN)=NC=C1 4085298 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.2 CC1=CC=CC(CCl)=N1 4006197 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.2 CC1=CC=CC(CCl)=N1 4087831 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.2 CC1=NC(C=O)=CC=N1 4086614 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.2 CC1=NC=CC(CCl)=C1 4046381 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.2 CC1=NC=CC(NN)=C1 4019583 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 CSC1=NC(Cl)=CC=C1 4030827 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.2 ClCC1=NC(Cl)=CC=C1 4036655 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.2 N#CC1=CC(Br)=NC=C1 4029187 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.2 N#CC1=CC(Cl)=NC=C1 4108299 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.2 NC1=CC(CO)=CC=N1 4027705 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.2 NCC1=CC(Cl)=NC=C1 4033586 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.2 NNC1=NC(Br)=CC=C1 4043654 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.2 NNC1=NC(Br)=CC=C1 4088733 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.6 N=C(N)C1=NC=CC=N1 4043543 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.6 OB(O)C1=CC=NC=C1 3200984 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.8 BrCCC1=CC=CN=C1 4054467 [0,1,0,0,0,0|1,0,2]=4 49 B9R1.8 BrCCC1=NC=CC=C1 4028495 [0,1,0,0,0,0|1,0,2]=4 50 B9R1.8 BrCCC1=NC=CC=C1 4090022 [0,1,0,0,0,0|1,0,2]=4 51 B9R1.8 CNCC1=CC=CC=N1 4004537 [0,1,0,0,0,0|1,0,2]=4 52 B9R1.8 NCCC1=CC=CN=C1 4005651 [0,1,0,0,0,0|1,0,2]=4 53 B9R1.15 CC1=C(CBr)N=CC=C1 4061731 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.15 CC1=C(CCl)C=CN=C1 4108233 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.15 CC1=C(CCl)N=CC=C1 4002155 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.15 CC1=C(CN)C=CN=C1 4010335 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.15 CC1=C(NN)C=CN=C1 4014009 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.15 CC1=NC=CC=C1CCl 4048084 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.15 CSC1=CC=CN=C1Br 4074696 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.15 N#CC1=C(Br)C=NC=C1 4029542 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.15 N#CC1=C(Br)N=CC=C1 4030942 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.15 NCC1=CC=CC=C1Br 4108297 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.15 NCC1=CC=CN=C1N 4037637 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.15 NCC1=NC=CC=C1Cl 4038421 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.15 O=C1NC=CC=C1CO 4021172 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.15 O=CC1=CC=CN=C1Br 4003257 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.1 NCC1=CSC=C1 4089439 [0,0,0,0,1,0|2,0,1]=4 70 B7R1.1 NCC1=CSC=C1 4100798 [0,0,0,0,1,0|2,0,1]=4 71 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.3 NC1=CC=C(I)C=N1 3001813 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.3 OC1=CC=C(O)N=C1 4030644 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.4 NC1=CC(Br)=CC=N1 4029341 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [1,1,0,0,0,0|1,0,1]=4 78 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [1,1,0,0,0,0|1,0,1]=4 79 B8R1.5 NC1=CC=CN=C1O 4034758 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.1 C=CN1C=C(I)C=N1 4028702 [0,1,0,0,1,0|2,0,0]=4 81 B8R1.1 CC1=CC=C(C=O)N1 4036670 [0,1,0,0,1,0|2,0,0]=4 82 B8R1.1 CN1C=CC(C=O)=C1 4300823 [0,1,0,0,1,0|2,0,0]=4 83 B8R1.1 O=CC1=CC(Br)=CN1 4004367 [0,1,0,0,1,0|2,0,0]=4 84 B8R1.7 N=C(N)C1=CC=CO1 4030998 [0,1,0,0,1,0|2,0,0]=4 85 B8R1.11 O=CC1=CSC=C1Br 4300332 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [0,2,0,0,0,0|1,0,1]=4 87 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [0,2,0,0,0,0|1,0,1]=4 88 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [0,2,0,0,0,0|0,0,2]=4 89 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [0,2,0,0,0,0|0,0,2]=4 90 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [0,2,0,0,0,0|0,0,2]=4 91 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [0,2,0,0,0,0|1,0,1]=4 92 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [0,2,0,0,0,0|1,0,1]=4 93 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [0,2,0,0,0,0|1,0,1]=4 94 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [0,2,0,0,0,0|1,0,1]=4 95 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [0,2,0,0,0,0|0,0,2]=4 96 B10R1.3 C#CC1=CC=C(C=O)C=C1 4003406 [0,2,0,0,0,0|1,0,0]=3 97 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,2,0,0,0,0|1,0,1]=4 98 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [0,2,0,0,0,0|0,0,2]=4 99 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [0,2,0,0,0,0|0,0,2]=4 100 B10R1.13 CC1=CC=C(B(O)O)C=C1 4200596 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [0,2,0,0,0,0|1,0,0]=3 103 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4089129 [0,2,0,0,0,0|2,0,0]=4 104 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 4201816 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [0,2,0,0,0,0|0,0,2]=4 107 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [0,2,0,0,0,0|1,0,1]=4 108 B10R1.176 C(=O)C1=CC(Br)=C(C)C=C1 4017458 [0,2,0,0,0,0|1,0,0]=3 109 B10R1.176 CCC1=CC(N)=C(O)C=C1 4034479 [0,2,0,0,0,0|0,0,2]=4 110 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [0,2,0,0,0,0|1,0,1]=4 111 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.176 N#CC1=CC=C(O)C(N)=C1 4030547 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.176 O=CC1=CC=C(O)C(F)=C1 4303011 [0,2,0,0,0,0|1,0,0]=3 116 B10R1.2 CC1=C(Cl)C=CC=C1NN 4006262 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.2 CN1C=CC=C(C=O)C1=O 4003630 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [0,2,0,0,0,0|1,0,1]=4 119 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [0,2,0,0,0,0|1,0,1]=4 120 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [0,2,0,0,0,0|0,0,2]=4 121 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [0,2,0,0,0,0|1,0,1]=4 122 B10R1.30 CC1=CC=C(O)C(C=O)=N1 4034766 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [0,2,0,0,0,0|0,0,2]=4 124 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [0,2,0,0,0,0|0,0,2]=4 125 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [0,2,0,0,0,0|0,0,2]=4 126 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [0,2,0,0,0,0|0,0,2]=4 127 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [0,2,0,0,0,0|1,0,1]=4 128 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [0,2,0,0,0,0|1,0,1]=4 129 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [0,2,0,0,0,0|1,0,1]=4 130 B10R1.30 N#CC1=CC(N)=CC=C1Br 4030306 [0,2,0,0,0,0|1,0,1]=4 131 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,2,0,0,0,0|1,0,1]=4 132 B10R1.113 CC(C)C1=CC=CC(Br)=C1 4045144 [0,2,0,0,0,0|0,0,2]=4 133 B10R1.113 CC1=CC(B(O)O)=CC=C1 4200594 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [0,2,0,0,0,0|0,0,2]=4 135 B10R1.113 NC(=O)C1=CC(I)=NC=C1 4030202 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.172 C#CC1=CC(C=O)=CC=C1 4031050 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [0,2,0,0,0,0|1,0,0]=3 143 B10R1.172 CSC1=CC=CC(CN)=C1 4002912 [0,2,0,0,0,0|1,0,1]=4 144 B10R1.172 N#CC1=CC(CN)=CC=C1 4044429 [0,2,0,0,0,0|1,0,1]=4 145 B10R1.172 NCC1=CC=CC(CO)=C1 4035214 [0,2,0,0,0,0|1,0,1]=4 146 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [0,2,0,0,0,0|1,0,1]=4 147 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [0,2,0,0,0,0|1,0,1]=4 148 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [0,2,0,0,0,0|0,0,2]=4 149 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [0,2,0,0,0,0|0,0,2]=4 150 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [0,2,0,0,0,0|1,0,0]=3 151 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [0,2,0,0,0,0|1,0,1]=4 152 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [0,2,0,0,0,0|0,0,2]=4 153 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [0,2,0,0,0,0|0,0,2]=4 154 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [0,2,0,0,0,0|1,0,0]=3 155 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [0,2,0,0,0,0|1,0,1]=4 157 B10R1.4 CCSC1=CC=CC=C1N 4091232 [0,2,0,0,0,0|0,0,2]=4 158 B10R1.4 CCSC1=CC=CC=C1N 9071805 [0,2,0,0,0,0|0,0,2]=4 159 B10R1.4 CNCC1=CC=CC=C1C 4028163 [0,2,0,0,0,0|0,0,2]=4 160 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [0,2,0,0,0,0|1,0,1]=4 161 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [0,2,0,0,0,0|1,0,0]=3 162 B10R1.17 ICCOC1=CC=CC=C1 5101649 [0,2,0,0,0,0|0,0,2]=4 163 B10R1.17 NCCSC1=CC=CC=C1 4087772 [0,2,0,0,0,0|0,0,2]=4 164 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [0,2,0,0,0,0|0,0,0]=2 165 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,2,0,0,0,0|1,0,1]=4 166 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,2,0,0,0,0|1,0,1]=4 167 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [0,2,0,0,0,0|1,0,1]=4 168 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,2,0,0,0,0|1,0,1]=4 169 B10R1.20 CNC1=NC=CC=C1C=O 4004446 [0,2,0,0,0,0|2,0,0]=4 170 B10R1.245 CSC1=C(O)C=CC=C1C 4031718 [0,2,0,0,0,0|1,0,1]=4 171 B10R2.7 C1=CC2=CC=NC=C2N1 4108319 [0,1,0,1,0,0|1,0,0]=3 172 B10R2.7 C1=CN=C2NN=CC2=C1 4031574 [0,1,0,1,0,0|2,0,0]=4