0 B7R1.2 CC1=COC(C)=C1 4091270 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.2 CC1=NN(C)C=C1 3020421 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.2 CC1=NOC(Br)=N1 4036004 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CN1C=NC(N)=N1 4087773 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CN1N=CC(N)=N1 4006206 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 BrC1=CC=NS1 4047938 [1,0,0,0,0,0|3,0,0]=4 6 B6R1.2 C1=NNC(Br)=N1 4050415 [1,0,0,0,0,0|3,0,0]=4 7 B6R1.2 IC1=CC=NS1 4075854 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 NC1=NNC=C1 3002058 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.1 CC1=CC(CN)=NO1 4003548 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.1 CC1=CNC(C=O)=C1 4036719 [0,1,0,0,0,0|2,0,1]=4 11 B8R1.1 CC1=CSC(CCl)=N1 4089233 [0,1,0,0,0,0|1,0,1]=3 12 B8R1.1 CC1=CSC(NN)=N1 4089917 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.1 CC1=NC(C=O)=CO1 4038328 [0,1,0,0,0,0|1,0,2]=4 14 B8R1.1 CC1=NC(CCl)=CO1 4038462 [0,1,0,0,0,0|1,0,1]=3 15 B8R1.1 CC1=NC(CCl)=CS1 4089600 [0,1,0,0,0,0|1,0,1]=3 16 B8R1.1 CC1=NC(CN)=NO1 4089924 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.1 CC1=NC=C(C=O)S1 4301186 [0,1,0,0,0,0|2,0,1]=4 18 B8R1.1 CC1=NN=C(CN)O1 4090166 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.1 CC1=NN=C(CN)S1 4034872 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.1 CC1=NN=C(CN)S1 4110614 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.1 CC1=NNC(CN)=C1 4090142 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.1 CC1=NNC(CO)=N1 4088491 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.1 CCC1=CSC(N)=N1 4034888 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.1 CCC1=CSC(N)=N1 4090225 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.1 CCC1=NC=C(Br)S1 4041002 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.1 CCC1=NC=C(Br)S1 4088439 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.1 CNC1=NC=C(Br)S1 4039821 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.1 NCC1=NNC(=O)N1 4089406 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 OCC1=CSC(Br)=N1 4088989 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.18 CC1=C(C)OC(N)=N1 4090608 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.18 CC1=NN(C)C=C1N 4087920 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.18 CC1=NN(C)C=C1N 4088249 [0,1,0,0,0,0|1,0,1]=3 33 B8R1.18 CN1N=C(Br)C=C1Cl 4060462 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.50 CC1=NN=C(S)N1C 3015684 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.50 CC1=NNC(C)=C1F 3001804 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.50 CC1=NNC(C)=C1I 3002644 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.3 CC1=CN=C(O)N=C1 4090925 [0,0,0,0,0,1|2,0,1]=4 38 B8R1.3 NC1=NN=C(Cl)C=C1 3020090 [0,0,0,0,0,1|2,0,1]=4 39 B7R1.1 C#CC1=CC=CO1 4045318 [1,1,0,0,0,0|1,0,1]=4 40 B7R1.1 C1=NC=C(CO)S1 4050354 [1,1,0,0,0,0|2,0,0]=4 41 B7R1.1 CCC1C=CCN1 4090190 [1,1,0,0,0,0|0,0,2]=4 42 B7R1.1 CCN1C=CC=N1 3020409 [1,1,0,0,0,0|1,0,1]=4 43 B7R1.1 ClCC1=CN=CS1 4089081 [1,1,0,0,0,0|2,0,0]=4 44 B7R1.1 ClCC1=CNC=N1 4089538 [1,1,0,0,0,0|1,0,1]=4 45 B7R1.1 ClCC1=CSC=N1 4089258 [1,1,0,0,0,0|1,0,1]=4 46 B7R1.1 ClCC1=NC=CS1 4089816 [1,1,0,0,0,0|1,0,1]=4 47 B7R1.1 NCC1=CC=NN1 4088066 [1,1,0,0,0,0|1,0,0]=3 48 B7R1.1 NCC1=NC=CN1 4089830 [1,1,0,0,0,0|1,0,0]=3 49 B7R1.1 NCC1=NOC=C1 2102253 [1,1,0,0,0,0|1,0,1]=4 50 B7R1.1 NCC1=NOC=C1 4088492 [1,1,0,0,0,0|1,0,1]=4 51 B7R1.4 CC1=C(N)C=NN1 4088796 [1,1,0,0,0,0|1,0,0]=3 52 B7R1.4 CN1C=CN=C1N 4090307 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [0,1,0,0,0,1|0,0,1]=3 54 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [0,1,0,0,0,1|0,0,1]=3 55 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [0,1,0,0,0,1|1,0,1]=4 56 B9R1.69 CC1=CC(=O)C(O)=CO1 4045348 [0,1,0,0,0,1|2,0,0]=4 57 B9R1.69 CC1=CN=C(N)C(C)=C1 4090966 [0,1,0,0,0,1|1,0,1]=4 58 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [0,1,0,0,0,1|1,0,0]=3 59 B9R1.2 CC1=CC(NN)=NC=C1 4032386 [0,1,0,0,0,1|2,0,0]=4 60 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [0,1,0,0,0,1|1,0,1]=4 61 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [0,1,0,0,0,1|1,0,0]=3 62 B9R1.2 CC1=NC=CC(NN)=C1 4088178 [0,1,0,0,0,1|2,0,0]=4 63 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [0,1,0,0,0,1|1,0,1]=4 64 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [0,1,0,0,0,1|2,0,0]=4 65 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [0,1,0,0,0,1|2,0,0]=4 66 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [0,1,0,0,0,1|2,0,0]=4 67 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [0,1,0,0,0,1|2,0,0]=4 68 B9R1.7 CC1=CC=C(CCN)S1 4004130 [0,2,0,0,0,0|1,0,0]=3 69 B9R1.7 CC1=NC(CCCl)=CS1 4088359 [0,2,0,0,0,0|1,0,1]=4 70 B9R1.7 CC1=NN(CCN)C=C1 4016693 [0,2,0,0,0,0|1,0,1]=4 71 B9R1.7 CNCC1=CSC(C)=N1 4087958 [0,2,0,0,0,0|1,0,1]=4 72 B9R1.7 CNCC1=CSC(C)=N1 4088268 [0,2,0,0,0,0|1,0,1]=4 73 B9R1.7 CNCC1=NC(C)=CN1 4090830 [0,2,0,0,0,0|1,0,1]=4 74 B9R1.7 CNCC1=NC(C)=CS1 4090988 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.21 CCC1=NC(CCl)=CS1 4088461 [0,2,0,0,0,0|1,0,1]=4 76 B9R1.21 CCC1=NC(CN)=CS1 4089874 [0,2,0,0,0,0|1,0,1]=4 77 B9R1.21 CCC1=NC(CO)=CS1 4090454 [0,2,0,0,0,0|1,0,1]=4 78 B9R1.21 CCN1C=CC(CCl)=N1 4090802 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.21 CNC1=NC(CCl)=CS1 4090284 [0,2,0,0,0,0|1,0,1]=4 80 B9R1.22 CC1=NC(C)=C(CCl)S1 4090734 [0,2,0,0,0,0|1,0,1]=4 81 B9R1.22 CC1=NC(C)=C(CN)S1 4090230 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.22 CC1=NC(CCl)=C(C)S1 4043608 [0,2,0,0,0,0|1,0,1]=4 83 B9R1.22 CC1=NN(C)C=C1CN 4091216 [0,2,0,0,0,0|1,0,1]=4 84 B9R1.22 CCN1N=C(C)C=C1C 3020385 [0,2,0,0,0,0|1,0,1]=4 85 B9R1.23 CC1=C(Br)C=C(C#N)N1 4045235 [0,2,0,0,0,0|0,0,1]=3 86 B9R1.23 CC1=C(C)SC(CCl)=N1 4033196 [0,2,0,0,0,0|1,0,1]=4 87 B9R1.23 CC1=C(C)SC(CN)=N1 4089833 [0,2,0,0,0,0|1,0,1]=4 88 B9R1.23 CC1=C(C)SC(CO)=N1 4089722 [0,2,0,0,0,0|1,0,1]=4 89 B9R1.35 CC1=CC=C(B(O)O)O1 3200979 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.35 CC1=CC=C(B(O)O)O1 4088928 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.35 CC1=CC=C(C(=N)N)O1 4090997 [0,2,0,0,0,0|1,0,1]=4 92 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,2,0,0,0,0|1,0,1]=4 93 B9R1.35 CC1=CNC(C(C)N)=N1 4090866 [0,2,0,0,0,0|1,0,1]=4 94 B9R1.132 CC1=C(C)C(CO)=CS1 4027732 [0,2,0,0,0,0|2,0,0]=4