0 B11R1.17 C=CCOC1=CC=CC=C1N 4090105 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.17 NCCCC1=C(F)C=CC=C1 4090517 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.17 NCCCC1=CC=CC=C1Cl 4019783 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.17 NCCCN1C=CC=CC1=O 4090788 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,0,0,0,0,0|1,1,0]=3 8 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCNCC1=CC=CN=C1 9070410 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.125 CC(C)NCC1=C(Br)C=CC=C1 4088303 [0,1,0,0,0,0|2,1,0]=4 12 B12R1.267 NCCOCC1=CC=CC=C1Cl 3001701 [0,1,0,0,0,0|2,1,0]=4 13 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,1,0,0,0,0|1,1,1]=4 14 B12R2.24 NC1CCC2=C(C=CC=C2)C1 4087906 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.32 CNC1CC2=CC=CC=C2C1 4089485 [0,0,0,1,0,0|1,0,0]=2 16 B12R2.196 CN1C=CC2=C1C=CC=C2N 4090799 [0,0,0,1,0,0|1,0,2]=4 17 B12R2.1081 ClC1=C2CCNCC2=CC=C1 4090148 [0,0,0,1,0,0|0,1,0]=2 18 B10R1.29 CNCCN1C=CN=C1C 4091015 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.8 CNCC1=CC=NC=C1 3002392 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.8 NCCC1=NC=CC=C1 3020070 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.15 CC1=C(CN)C=CN=C1 4088420 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [2,0,0,0,0,0|1,1,0]=4 23 B11R1.41 COC1=NC=CC=C1CCN 4069505 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.86 CC(C)SC1=CC=CC=C1N 4090176 [1,1,0,0,0,0|2,0,0]=4 25 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [1,1,0,0,0,0|0,1,0]=3 26 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [1,1,0,0,0,0|0,1,0]=3 27 B11R1.1 CCCSC1=CC=C(N)C=C1 4090004 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.16 CC(CCN)C1=CC=CC=C1 4091158 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.16 CCCC(N)C1=CC=CC=C1 4088376 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.28 C#CCNCC1=CC=CC=C1 4089987 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.28 CNC\C=C\C1=CC=CC=C1 9070687 [1,1,0,0,0,0|0,0,1]=3 33 B11R1.28 NCCCCC1=NC=CC=C1 4014928 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.28 NCCCOC1=CC=CC=C1 4087883 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.91 N=C(N)CCC1=CC=CC=C1 4091002 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.528 NNC(=O)CCC1=CC=CC=C1O 3005121 [0,2,0,0,0,0|2,0,0]=4 37 B13R1.555 OCCCNCC1=CC=CC=C1Cl 4088148 [0,2,0,0,0,0|1,1,0]=4 38 B11R2.55 NC1=C(C2CC2)C=CC=C1 4005989 [1,0,0,1,0,0|1,0,0]=3 39 B11R2.239 C1=CC=C(C2CCN2)C=C1 4019047 [1,0,0,1,0,0|2,0,0]=4 40 B11R2.239 C1=CC=C(C2CNC2)C=C1 4021486 [1,0,0,1,0,0|0,0,0]=2 41 B11R2.239 C1=CC=C(C2CNC2)N=C1 4025152 [1,0,0,1,0,0|1,0,0]=3 42 B11R2.239 C1=CN=CC(C2CNC2)=C1 4037129 [1,0,0,1,0,0|1,0,0]=3 43 B13R2.4820 BrC1=C2CCNCCC2=CC=C1 4073453 [0,1,0,1,0,0|0,1,0]=3 44 B13R2.18 ClC1=C(C2CCNC2)C=CC=C1 4087833 [0,1,0,1,0,0|0,1,0]=3 45 B13R2.18 FC1=C(C2CCNC2)C=CC=C1 4087832 [0,1,0,1,0,0|0,0,0]=2 46 B13R2.26 CNCC1=CC2=CC=CC=C2S1 4090886 [0,1,0,1,0,0|1,0,1]=4 47 B13R2.26 CNCC1=NC2=CC=CC=C2N1 4090287 [0,1,0,1,0,0|1,0,1]=4 48 B13R2.26 CNCC1=NC2=CC=CC=C2S1 4090128 [0,1,0,1,0,0|1,0,1]=4 49 B13R2.5225 ClC1=CC=CC=C1OC2CNC2 4090792 [0,1,0,1,0,0|0,1,0]=3 50 B13R2.5225 FC1=CC=CC=C1OC2CNC2 4089423 [0,1,0,1,0,0|0,0,0]=2 51 B9R1.33 CC1=C(CCN)SC=C1 4090401 [1,0,0,0,1,0|2,0,0]=4 52 B9R1.12 CNCCC1=CNN=C1 4087966 [1,0,0,0,1,0|2,0,0]=4 53 B9R1.12 CNCCC1=CNN=C1 4101522 [1,0,0,0,1,0|2,0,0]=4 54 B9R1.12 CNCCN1C=CN=C1 4089691 [1,0,0,0,1,0|2,0,0]=4