0 B7R1.3 ClC1=CN=CC=N1 3020065 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.3 NC1C=CCCC1 4075151 [0,0,0,0,0,0|1,0,3]=4 2 B8R1.2 BrCC1=CN=CC=C1 4090400 [0,1,0,0,0,0|3,0,0]=4 3 B8R1.2 NCC1=NC=NC=C1 4102725 [0,1,0,0,0,0|1,0,0]=2 4 B8R1.2 NNC1=CC=CN=C1 4090882 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.2 NNC1=CC=NC=C1 4089280 [0,1,0,0,0,0|0,0,0]=1 6 B8R1.2 O=CC1=CC=NN=C1 4015481 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.3 NC1=NC=C(Br)C=N1 3020096 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.3 NC1=NN=C(Cl)C=C1 3020090 [0,1,0,0,0,0|3,0,0]=4 9 B6R1.2 BrC1=CC=NS1 4047938 [0,0,0,0,1,0|2,0,0]=3 10 B6R1.2 BrC1=CNN=C1 3001964 [0,0,0,0,1,0|2,0,0]=3 11 B6R1.2 C1=NNC(Br)=N1 4050415 [0,0,0,0,1,0|3,0,0]=4 12 B6R1.2 ClC1=CNN=C1 3002277 [0,0,0,0,1,0|2,0,0]=3 13 B6R1.2 IC1=CC=NS1 4075854 [0,0,0,0,1,0|2,0,0]=3 14 B6R1.2 NC1=NNC=C1 3002058 [0,0,0,0,1,0|1,0,1]=3 15 B6R1.2 NC1C=CCC1 4068828 [0,0,0,0,1,0|0,0,3]=4 16 B6R1.2 OC1=CNN=C1 4089099 [0,0,0,0,1,0|2,0,0]=3 17 B7R1.1 C#CC1=CC=CO1 4045318 [0,1,0,0,1,0|2,0,0]=4 18 B7R1.1 C1=NC=C(CO)S1 4050354 [0,1,0,0,1,0|2,0,0]=4 19 B7R1.1 ClCC1=CN=CS1 4089081 [0,1,0,0,1,0|2,0,0]=4 20 B7R1.1 NCC1=CC=NN1 4088066 [0,1,0,0,1,0|1,0,0]=3 21 B7R1.1 NCC1=NC=CN1 4089830 [0,1,0,0,1,0|2,0,0]=4 22 B7R1.1 NCC1=NN=CO1 4042037 [0,1,0,0,1,0|2,0,0]=4 23 B7R1.1 NCC1=NOC=C1 2102253 [0,1,0,0,1,0|2,0,0]=4 24 B7R1.1 NCC1=NOC=C1 4088492 [0,1,0,0,1,0|2,0,0]=4 25 B7R1.1 O=CC1=CC=NS1 4030495 [0,1,0,0,1,0|2,0,0]=4 26 B7R1.1 O=CC1=CSN=C1 4030020 [0,1,0,0,1,0|2,0,0]=4 27 B7R1.2 CC1=COC(C)=C1 4091270 [0,1,0,0,1,0|2,0,0]=4 28 B7R1.2 CN1N=CC(N)=N1 4006206 [0,1,0,0,1,0|2,0,0]=4 29 B7R1.2 NC1=NC(Cl)=NN1 4018524 [0,1,0,0,1,0|2,0,0]=4 30 B7R1.4 CC1=C(N)C=NN1 4088796 [0,1,0,0,1,0|1,0,0]=3 31 B7R1.4 CN1C=CN=C1N 4090307 [0,1,0,0,1,0|2,0,0]=4 32 B7R1.4 CN1C=NN=C1N 4018387 [0,1,0,0,1,0|2,0,0]=4 33 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [0,2,0,0,0,0|2,0,0]=4 34 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [0,2,0,0,0,0|2,0,0]=4 35 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [0,2,0,0,0,0|1,0,0]=3 36 B9R1.2 CC1=CC(NN)=NC=C1 4032386 [0,2,0,0,0,0|1,0,0]=3 37 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [0,2,0,0,0,0|2,0,0]=4 38 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [0,2,0,0,0,0|1,0,0]=3 39 B9R1.2 CC1=NC=CC(NN)=C1 4088178 [0,2,0,0,0,0|0,0,0]=2 40 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [0,2,0,0,0,0|2,0,0]=4 41 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [0,2,0,0,0,0|1,0,0]=3 42 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [0,2,0,0,0,0|0,0,0]=2 43 B9R1.2 NCC1=CC(O)=NC=N1 4089851 [0,2,0,0,0,0|1,0,0]=3 44 B9R1.2 NCC1=CC(O)=NC=N1 4110390 [0,2,0,0,0,0|1,0,0]=3 45 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [0,2,0,0,0,0|1,0,0]=3 46 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [0,2,0,0,0,0|2,0,0]=4 47 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [0,2,0,0,0,0|1,0,0]=3 48 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [0,2,0,0,0,0|0,0,0]=2 49 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.8 CNCC1=CC=NC=C1 3002392 [0,2,0,0,0,0|0,0,0]=2 52 B9R1.8 NCCC1=NC=CC=C1 3020070 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [0,2,0,0,0,0|1,0,0]=3 54 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [0,2,0,0,0,0|0,0,0]=2 55 B9R1.15 CC1=C(NN)C=CN=C1 4088209 [0,2,0,0,0,0|0,0,0]=2 56 B9R1.15 COC1=CN=CN=C1N 4065839 [0,2,0,0,0,0|1,0,0]=3 57 B9R1.69 CC1=CC(=O)C(O)=CO1 4045348 [0,2,0,0,0,0|2,0,0]=4 58 B9R1.69 CC1=CN=C(N)C(C)=C1 4090966 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.69 CC1=CN=C(O)N=C1C 4089252 [0,2,0,0,0,0|2,0,0]=4 60 B9R1.3 CC1=C(C)C(Cl)=NC=N1 4038510 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.3 NC1=C(O)C(Cl)=NC=C1 4054311 [0,2,0,0,0,0|0,0,0]=2