0 B9R1.15 CC1=C(CCl)C=CN=C1 4010334 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.15 CC1=C(CCl)N=CC=C1 4088897 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 CC1=C(NN)C=CN=C1 4088209 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 CC1=NC=CC=C1CCl 4088270 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.15 CC1=NC=CN=C1C=O 4030187 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 COC1=CN=CN=C1N 4065839 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 BrCC1=CN=CC=C1 4090400 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 NNC1=CC=CN=C1 4090882 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 NNC1=CC=NC=C1 4089280 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.2 CC1=C(Cl)C=CC=C1NN 4088656 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.4 CC1=CC=CN=C1CCN 4002940 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.4 CNCC1=CC=CC=C1C 4090872 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.4 O=C=NC1=CC=CC=C1Br 3020265 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.20 CNC1=NC=CC=C1C=O 4090184 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.20 COC1=CC=CN=C1CCl 4089597 [0,1,0,0,0,0|1,0,0]=2 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|3,0,0]=4 21 B10R1.30 CCC1=C(N)C=CC(I)=C1 4091033 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.30 CCC1=CC(Cl)=CC=C1N 4091185 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 CN(C)C1=NC=CC=C1N 4089183 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.245 COC1=C(N)C=CN=C1Cl 4049281 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.245 COC1=C(N)C=CN=C1Cl 4089025 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.11 CC1=C(CN)SC=C1 4088805 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,1,0,0,0,0|1,0,0]=3 31 B9R1.6 CC(N)C1=CC=NC=C1 3002627 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.6 CC(N)C1=CN=CC=C1 3002415 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.6 CC(N)C1=NC=CC=C1 3001612 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,1,0,0,0,0|2,0,0]=4 36 B9R1.3 CC1=C(C)C(Cl)=NC=N1 4038510 [1,1,0,0,0,0|2,0,0]=4 37 B9R1.3 NC1=C(O)C(Cl)=NC=C1 4054311 [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|2,0,0]=4 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 B9R1.33 CC1=C(CCN)SC=C1 4090401 [0,1,0,0,1,0|2,0,0]=4 42 B11R1.17 C=CCOC1=CC=CC=C1N 4090105 [0,2,0,0,0,0|1,0,0]=3 43 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,2,0,0,0,0|2,0,0]=4 44 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,2,0,0,0,0|2,0,0]=4 45 B11R1.41 CCOC1=NC=CC=C1CN 4090766 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.41 COC1=CC=CC=C1N=C=O 3020271 [0,2,0,0,0,0|0,0,1]=3 47 B11R1.41 COC1=NC=CC=C1CCN 4069505 [0,2,0,0,0,0|1,0,0]=3 48 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [0,2,0,0,0,0|1,1,0]=4 49 B11R1.86 NC1=CC=CC=C1OC(F)F 3002768 [0,2,0,0,0,0|1,0,0]=3 50 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.37 COC1=C(C=O)C=C(C)N=C1 4067969 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.53 CN(C)C1=NC=CC=C1CO 4088867 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.53 NCC1=CC=CC=C1C(=O)O 4090789 [0,2,0,0,0,0|2,0,0]=4 55 B11R1.166 CC(N)C1=C(Cl)C=C(Cl)C=C1 3002301 [0,2,0,0,0,0|2,0,0]=4 56 B11R1.166 CC(N)C1=CC=C(F)C=C1F 4089525 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.166 CN(C)C1=C(Cl)C=C(N)C=C1 4088067 [0,2,0,0,0,0|2,0,0]=4 58 B11R1.166 CN(C)C1=C(N)C=C(Br)C=C1 4089293 [0,2,0,0,0,0|2,0,0]=4 59 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4022447 [0,2,0,0,0,0|1,0,0]=3 60 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4088194 [0,2,0,0,0,0|1,0,0]=3 61 B11R2.106 BrC1=C2C=COC2=CC=C1 4018336 [0,1,0,1,0,0|0,0,2]=4 62 B11R2.106 CC1=C2N=NNC2=CC=C1 3002703 [0,1,0,1,0,0|2,0,0]=4 63 B11R2.106 NC1=CC=CC2=NON=C12 3002710 [0,1,0,1,0,0|2,0,0]=4 64 B11R2.106 OC1=C2ON=CC2=CC=C1 4041159 [0,1,0,1,0,0|1,0,1]=4 65 B11R2.55 NC1=C(C2CC2)C=CC=C1 4005989 [0,1,0,1,0,0|2,0,0]=4 66 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,1,0,1,0,0|2,0,0]=4 67 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [0,1,0,1,0,0|1,0,1]=4 68 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,1,0,1,0,0|0,0,0]=2 69 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 4002139 [0,1,0,1,0,0|1,0,1]=4 70 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,1,0,1,0,0|1,0,0]=3