0 B6R1.2 BrC1=CC=NS1 4047938 [0,0,0,0,0,0|2,1,0]=3 1 B6R1.2 BrC1=CNN=C1 3001964 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 BrC1=NSC=N1 4108197 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 C1=NNC(Br)=N1 4050415 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 ClC1=CNN=C1 3002277 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 IC1=CC=NS1 4075854 [0,0,0,0,0,0|2,1,0]=3 6 B6R1.2 NC1=NNC=C1 3002058 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 NC1C=CCC1 4068828 [0,0,0,0,0,0|2,0,2]=4 8 B6R1.2 OC1=CNN=C1 4089099 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 C#CC1=CC=CO1 4045318 [0,1,0,0,0,0|0,0,1]=2 10 B7R1.1 C1=NC=C(CO)S1 4050354 [0,1,0,0,0,0|1,1,0]=3 11 B7R1.1 CCC1C=CCN1 4090190 [0,1,0,0,0,0|1,0,2]=4 12 B7R1.1 CCN1C=CC=N1 3020409 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.1 ClCC1=CN=CS1 4089081 [0,1,0,0,0,0|1,1,0]=3 14 B7R1.1 ClCC1=CNC=N1 4089538 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.1 ClCC1=CSC=N1 4089258 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.1 ClCC1=NC=CS1 4089816 [0,1,0,0,0,0|1,1,0]=3 17 B7R1.1 ClCC1=NNC=N1 6604383 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 ClCC1=NOC=N1 3003095 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.1 NCC1=CC=NN1 4088066 [0,1,0,0,0,0|2,0,0]=3 20 B7R1.1 NCC1=NC=CN1 4089830 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.1 NCC1=NN=CO1 4042037 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.1 NCC1=NOC=C1 2102253 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.1 NCC1=NOC=C1 4088492 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.1 NCC1=NOC=N1 4088690 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.1 O=CC1=CC=NS1 4030495 [0,1,0,0,0,0|1,1,1]=4 26 B7R1.1 OCC1=CNN=N1 4003329 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 OCC1=NC=NO1 4043622 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.2 CC1=COC(C)=C1 4091270 [0,1,0,0,0,0|0,0,0]=1 29 B7R1.2 CC1=NN(C)C=C1 3020421 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.2 CC1=NOC(Br)=N1 4036004 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.2 CN1C=NC(N)=N1 4087773 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.2 CN1N=CC(N)=N1 4006206 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.4 CC1=C(Br)NN=N1 4046416 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.4 CC1=C(N)C=NN1 4088796 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.4 CN1C=CN=C1N 4090307 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.4 CN1N=NC=C1Br 4110761 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.3 ClC1=CN=CC=N1 3020065 [0,0,0,0,0,1|2,0,0]=3 38 B8R1.2 BrCC1=CN=CC=C1 4090400 [0,1,0,0,0,1|1,0,0]=3 39 B8R1.2 NCC1=NC=NC=C1 4102725 [0,1,0,0,0,1|1,0,0]=3 40 B8R1.2 NNC1=CC=CN=C1 4090882 [0,1,0,0,0,1|2,0,0]=4 41 B8R1.2 NNC1=CC=NC=C1 4089280 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.3 CC1=CN=C(O)N=C1 4090925 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.3 NC1=NC=C(Br)C=N1 3020096 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.3 NC1=NN=C(Cl)C=C1 3020090 [0,1,0,0,0,1|2,0,0]=4 45 B8R1.1 CC1=CC(CN)=NO1 4003548 [0,2,0,0,0,0|1,0,0]=3 46 B8R1.1 CC1=CNC(C=O)=C1 4036719 [0,2,0,0,0,0|1,0,1]=4 47 B8R1.1 CC1=CSC(CCl)=N1 4089233 [0,2,0,0,0,0|1,1,0]=4 48 B8R1.1 CC1=CSC(NN)=N1 4089917 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.1 CC1=NC(C=O)=CO1 4038328 [0,2,0,0,0,0|1,0,0]=3 50 B8R1.1 CC1=NC(CCl)=CO1 4038462 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.1 CC1=NC(CCl)=CS1 4089600 [0,2,0,0,0,0|1,1,0]=4 52 B8R1.1 CC1=NC(CN)=NO1 4089924 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.1 CC1=NC=C(C=O)S1 4301186 [0,2,0,0,0,0|1,1,0]=4 54 B8R1.1 CC1=NN=C(CN)O1 4090166 [0,2,0,0,0,0|2,0,0]=4 55 B8R1.1 CC1=NNC(CN)=C1 4090142 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.1 CCC1=CSC(N)=N1 4034888 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.1 CCC1=CSC(N)=N1 4090225 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.1 CCC1=NC(N)=NO1 4014409 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.1 CCC1=NC=C(Br)S1 4041002 [0,2,0,0,0,0|1,1,0]=4 60 B8R1.1 CCC1=NC=C(Br)S1 4088439 [0,2,0,0,0,0|1,1,0]=4 61 B8R1.1 CCN1C=C(N)C=N1 4087911 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.1 CCN1C=C(N)C=N1 4089653 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.1 CN1C=C(C=O)C=N1 4301129 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.1 CN1C=C(NN)C=N1 4064935 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.1 CNC1=NC=C(Br)S1 4039821 [0,2,0,0,0,0|1,1,0]=4 66 B8R1.1 OCC1=CSC(Br)=N1 4088989 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.7 CC(N)C1=NC=CS1 4087749 [0,2,0,0,0,0|1,1,0]=4 69 B8R1.7 C[C@@H](N)C1=NC=CS1 4104338 [0,2,0,0,0,0|1,1,0]=4 70 B8R1.7 C[C@H](N)C1=NC=CS1 4093303 [0,2,0,0,0,0|1,1,0]=4 71 B8R1.7 N=C(N)C1=CC=CO1 4088503 [0,2,0,0,0,0|0,0,1]=3 72 B8R1.8 CNCC1=CC=CS1 4087952 [0,2,0,0,0,0|0,1,0]=3 73 B8R1.8 CNCC1=CC=NN1 4088708 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.8 CNCC1=CSC=N1 4088415 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.8 CNCC1=NC=CN1 4088413 [0,2,0,0,0,0|2,0,0]=4 76 B8R1.8 CNCC1=NC=CS1 4090726 [0,2,0,0,0,0|1,1,0]=4 77 B8R1.8 CNCC1=NOC=C1 2102254 [0,2,0,0,0,0|2,0,0]=4 78 B8R1.8 ClCCC1=NC=CN1 4090066 [0,2,0,0,0,0|2,0,0]=4 79 B8R1.8 NCCC1=CC=CO1 4087953 [0,2,0,0,0,0|0,0,0]=2 80 B8R1.8 NCCC1=CC=CS1 3020071 [0,2,0,0,0,0|0,1,0]=3 81 B8R1.8 NCCC1=CSC=N1 4090876 [0,2,0,0,0,0|2,0,0]=4 82 B8R1.8 NNCC1=CC=CS1 4088418 [0,2,0,0,0,0|0,1,0]=3 83 B8R1.8 OCCC1=CC=CO1 4039978 [0,2,0,0,0,0|0,0,0]=2 84 B8R1.11 CC1=C(CBr)SC=N1 4089692 [0,2,0,0,0,0|1,1,0]=4 85 B8R1.11 CC1=C(CCl)N=CN1 4090770 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.11 CC1=C(CN)NC=N1 4091171 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.11 CC1=C(CN)SC=C1 4088805 [0,2,0,0,0,0|0,1,0]=3 88 B8R1.11 CC1=C(CO)N=CS1 4091170 [0,2,0,0,0,0|1,1,0]=4 89 B8R1.11 CN1C=CN=C1CN 4090095 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.11 CN1C=NC=C1CCl 4088903 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.11 CN1N=CC=C1CCl 4089161 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.11 N#CC1=C(N)SC=C1 3020370 [0,2,0,0,0,0|1,1,0]=4 93 B8R1.18 CC1=C(C)OC(N)=N1 4090608 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.18 CC1=NN(C)C=C1N 4087920 [0,2,0,0,0,0|2,0,0]=4 95 B8R1.18 CC1=NN(C)C=C1N 4088249 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.18 CN1N=C(Br)C=C1Cl 4060462 [0,2,0,0,0,0|2,0,0]=4 97 B8R1.50 CC1=C(N)C=NN1C 4089100 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.50 CC1=NNC(C)=C1F 3001804 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.50 CC1=NNC(C)=C1I 3002644 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.50 CC1=NNC(N)=C1N 4089947 [0,2,0,0,0,0|2,0,0]=4