0 B6R1.2 BrC1=CC=NS1 4047938 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 BrC1=CNN=C1 3001964 [0,0,0,0,0,0|1,0,0]=1 2 B6R1.2 C1=NNC(Br)=N1 4050415 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 ClC1=CNN=C1 3002277 [0,0,0,0,0,0|1,0,0]=1 4 B6R1.2 IC1=CC=NS1 4075854 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 NC1=NNC=C1 3002058 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 OC1=CNN=C1 4089099 [0,0,0,0,0,0|1,0,0]=1 7 B7R1.1 C1=NC=C(CO)S1 4050354 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.1 ClCC1=CN=CS1 4089081 [0,1,0,0,0,0|2,0,0]=3 9 B7R1.1 ClCC1=CNC=N1 4089538 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.1 ClCC1=CSC=N1 4089258 [0,1,0,0,0,0|3,0,0]=4 11 B7R1.1 ClCC1=NNC=N1 6604383 [0,1,0,0,0,0|3,0,0]=4 12 B7R1.1 NCC1=CC=NN1 4088066 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.1 NCC1=NN=CO1 4042037 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.1 NCC1=NN=NN1 4087793 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.1 NCC1=NOC=C1 2102253 [0,1,0,0,0,0|3,0,0]=4 16 B7R1.1 NCC1=NOC=C1 4088492 [0,1,0,0,0,0|3,0,0]=4 17 B7R1.1 O=CC1=CC=NS1 4030495 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 O=CC1=CN=NN1 4301610 [0,1,0,0,0,0|1,0,2]=4 19 B7R1.1 O=CC1=CSN=C1 4030020 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.1 OCC1=CNN=N1 4003329 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.1 OCC1=NC=NO1 4043622 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.2 CC1=COC(C)=C1 4091270 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.2 CC1=NN(C)C=C1 3020421 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.2 CN1C=NC(N)=N1 4087773 [0,1,0,0,0,0|3,0,0]=4 25 B7R1.2 CN1N=CC(N)=N1 4006206 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.4 CC1=C(Br)NN=N1 4046416 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.4 CC1=C(N)C=NN1 4088796 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.4 CN1C=CN=C1N 4090307 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.4 CN1C=NN=C1N 4018387 [0,1,0,0,0,0|1,0,1]=3 30 B7R1.4 CN1N=NC=C1Br 4110761 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.4 CN1N=NN=C1I 4035072 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.3 ClC1=CN=CC=N1 3020065 [0,0,0,0,0,1|2,0,0]=3 33 B8R1.2 BrCC1=CN=CC=C1 4090400 [0,1,0,0,0,1|1,0,0]=3 34 B8R1.2 NCC1=NC=NC=C1 4102725 [0,1,0,0,0,1|1,0,0]=3 35 B8R1.2 NNC1=CC=CN=C1 4090882 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.2 NNC1=CC=NC=C1 4089280 [0,1,0,0,0,1|2,0,0]=4 37 B8R1.2 O=CC1=CC=NN=C1 4015481 [0,1,0,0,0,1|0,0,2]=4 38 B8R1.3 CC1=CN=C(O)N=C1 4090925 [0,1,0,0,0,1|0,0,1]=3 39 B8R1.3 NC1=NC=C(Br)C=N1 3020096 [0,1,0,0,0,1|1,0,1]=4 40 B8R1.1 CC1=CC(CN)=NO1 4003548 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.1 CC1=CNC(C=O)=C1 4036719 [0,2,0,0,0,0|1,0,0]=3 42 B8R1.1 CC1=NNC(CN)=C1 4090142 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.1 CCN1C=C(N)C=N1 4087911 [0,2,0,0,0,0|1,0,0]=3 44 B8R1.1 CCN1C=C(N)C=N1 4089653 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.1 CCN1C=C(N)N=N1 4088511 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.1 CN1C=C(C=O)C=N1 4301129 [0,2,0,0,0,0|0,0,1]=3 47 B8R1.1 CN1C=C(NN)C=N1 4064935 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.7 CC(C)C1=CC=NN1 4040291 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.7 O=[N+]([O-])C1=CNN=C1 3002598 [0,2,0,0,0,0|1,0,0]=3 50 B8R1.8 CNCC1=CC=NN1 4088708 [0,2,0,0,0,0|2,0,0]=4 51 B8R1.8 ClCCC1=CNN=C1 4090809 [0,2,0,0,0,0|0,0,0]=2 52 B8R1.8 NCCC1=CNN=C1 4087965 [0,2,0,0,0,0|0,0,0]=2 53 B8R1.8 NCCN1C=CN=C1 4090168 [0,2,0,0,0,0|2,0,0]=4 54 B8R1.8 NCCN1C=NN=C1 4088364 [0,2,0,0,0,0|1,0,1]=4 55 B8R1.11 CC1=C(CBr)SC=N1 4089692 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.11 CC1=C(CCl)N=CN1 4090770 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.11 CC1=C(CN)NC=N1 4091171 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.11 CC1=C(CN)SC=C1 4088805 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.11 CC1=C(CO)N=CS1 4091170 [0,2,0,0,0,0|2,0,0]=4 60 B8R1.11 CC1=NON=C1CBr 4045731 [0,2,0,0,0,0|2,0,0]=4 61 B8R1.11 CC1=NON=C1CN 4089314 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.11 CCN1C=CN=C1Br 4088617 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.11 CN1C=CN=C1CN 4090095 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.11 CN1C=CN=C1NN 4061388 [0,2,0,0,0,0|2,0,0]=4 65 B8R1.11 CN1C=NC=C1CCl 4088903 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.11 CN1C=NN=C1CCl 4088922 [0,2,0,0,0,0|1,0,1]=4 67 B8R1.11 CN1N=CC=C1CCl 4089161 [0,2,0,0,0,0|2,0,0]=4 68 B8R1.18 CC1=C(C)OC(N)=N1 4090608 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.18 CC1=NN(C)C=C1N 4087920 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.18 CC1=NN(C)C=C1N 4088249 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.50 CC1=C(N)C=NN1C 4089100 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.50 CC1=NN=C(S)N1C 3015684 [0,2,0,0,0,0|1,0,1]=4 73 B8R1.50 CC1=NNC(C)=C1F 3001804 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.50 CC1=NNC(C)=C1I 3002644 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.50 CC1=NNC(N)=C1N 4089947 [0,2,0,0,0,0|1,0,0]=3