0 B10R1.3 CCC1=CC=C(C=O)N=C1 4019624 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.1 CC1=CN=C(CN)C=C1 4010338 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.1 CC1=CN=C(CN)C=C1 4089721 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.1 CC1=NC=C(CCl)N=C1 4090045 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.1 CCC1=CN=C(O)N=C1 4090949 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.3 CN(C)C1=NC=C(CO)C=C1 4090657 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4088176 [0,1,0,0,0,0|1,1,1]=4 7 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.83 CCC1=CC=C(CNN)C=C1 4090815 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.83 COC1=CC=C(CNN)C=C1 4085299 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.21 CCC1=NC(CO)=CS1 4090454 [0,0,0,0,1,0|3,0,0]=4 11 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 12 B8R1.3 CC1=CN=C(O)N=C1 4090925 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|1,0,0]=3 14 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|2,0,0]=4 16 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|2,0,0]=4 17 B10R1.13 CC1=CC=C(C(C)N)C=C1 3002653 [1,1,0,0,0,0|1,0,0]=3 18 B10R1.13 CC1=NC=C(C(C)N)C=C1 4014888 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.25 CC1=CC(C)=C(CN)C=N1 4003180 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|1,0,0]=3 21 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,1,0|1,0,1]=4 22 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 4089085 [0,2,0,0,0,0|2,0,0]=4 23 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 4089640 [0,2,0,0,0,0|1,0,0]=3 24 B12R1.48 COC1=C(O)C=C(C(=O)O)N=C1 4088767 [0,2,0,0,0,0|1,0,1]=4 25 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 3006607 [0,2,0,0,0,0|2,0,0]=4 26 B12R1.113 CCOC1=CC=C(C(=O)O)C=N1 3002371 [0,2,0,0,0,0|1,0,1]=4 27 B12R1.113 CNCC1=CC=C(C(=O)O)C=C1 4089273 [0,2,0,0,0,0|1,0,1]=4 28 B12R1.256 CC(C)C1=CC=C(C(C)N)C=C1 3006173 [0,2,0,0,0,0|2,0,0]=4 29 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 4089084 [0,2,0,0,0,0|2,0,0]=4 30 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 4088669 [0,2,0,0,0,0|1,0,0]=3 31 B12R1.71 CCC1=CC=C(OCCN)C=C1 3002940 [0,2,0,0,0,0|1,0,0]=3 32 B12R1.288 COC1=CC=C(N=C=O)C=C1F 3003103 [0,2,0,0,0,0|0,0,2]=4 33 B12R2.44 COC1=CC2=C(C=C1)NC=C2 3020313 [0,1,0,1,0,0|1,0,1]=4 34 B12R2.44 NCC1=CC2=NON=C2C=C1 4090044 [0,1,0,1,0,0|2,0,0]=4 35 B12R2.44 NNC1=CC=C2OCOC2=C1 4091107 [0,1,0,1,0,0|2,0,0]=4 36 B12R2.44 OCC1=CC=C2CCNC2=N1 4038071 [0,1,0,1,0,0|2,0,0]=4 37 B10R1.172 COC1=CC(CCl)=NC=C1 4087877 [0,0,0,0,1,1|1,0,0]=3 38 B10R1.172 COC1=CC(CN)=NC=C1 4016645 [0,0,0,0,1,1|1,0,0]=3 39 B10R1.172 COC1=CC(CN)=NC=C1 4091226 [0,0,0,0,1,1|1,0,0]=3 40 B10R1.172 CSC1=CC=CC(CN)=C1 4089405 [0,0,0,0,1,1|1,1,0]=4 41 B10R1.172 NCC1=CC=CC(CO)=C1 4088760 [0,0,0,0,1,1|2,0,0]=4