0 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 NCC1=NC=C(Cl)C=N1 4091048 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 BrCC1=CN=CC=C1 4090400 [1,0,0,0,0,0|2,0,0]=3 6 B8R1.2 NCC1=NC=NC=C1 4102725 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 NNC1=CC=CN=C1 4090882 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 NNC1=CC=NC=C1 4089280 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.3 CC1=CN=C(O)N=C1 4090925 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.1 CNCC1=CC=C(Cl)N=C1 4088428 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.25 CC1=CC(C)=C(CN)C=N1 4003180 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.1 OCC1=CSC(Br)=N1 4088989 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [1,1,0,0,0,0|2,0,0]=4 23 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [1,1,0,0,0,0|2,0,0]=4 24 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,1,0,0,0,0|2,0,0]=4 25 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [1,1,0,0,0,0|2,0,0]=4 26 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [1,1,0,0,0,0|2,0,0]=4 27 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,1,0,0,0,0|1,0,0]=3 28 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,1,0,0,0,0|2,0,0]=4 29 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,1,0,0,0,0|2,0,0]=4 30 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.15 CC1=NC=CC=C1CCl 4088270 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.69 CC1=CC(=O)C(O)=CO1 4045348 [1,1,0,0,0,0|1,0,0]=3 39 B9R1.69 CC1=CN=C(N)C(C)=C1 4090966 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.69 CC1=CN=C(O)N=C1C 4089252 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.132 CC1=C(C)C(CO)=CS1 4027732 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.1 C#CCOC1=CC=C(N)C=C1 4089055 [0,2,0,0,0,0|2,0,0]=4 43 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.1 NCCOC1=CC=C(Br)C=C1 4090090 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4088197 [0,2,0,0,0,0|2,0,0]=4 46 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 3002119 [0,2,0,0,0,0|2,0,0]=4 47 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4088665 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 4088802 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.83 CCC1=CC=C(CNN)C=C1 4090815 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [0,2,0,0,0,0|1,0,0]=3 51 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4088072 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4090657 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,2,0,0,0,0|1,0,1]=4 54 B11R1.3 O=C(O)C1=NC=C(CO)N=C1 4077916 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4031422 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.21 CC(N)C1=CC(F)=C(O)C=C1 4089355 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 3002301 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4089525 [0,2,0,0,0,0|2,0,0]=4 59 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,1,0,1,0,0|2,0,0]=4 60 B11R2.36 OC1=CC=C2NC=NC2=C1 4088281 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.1 C1=NC=C(CO)S1 4050354 [1,0,0,0,1,0|2,0,0]=4 62 B7R1.2 CC1=COC(C)=C1 4091270 [1,0,0,0,1,0|2,0,0]=4