0 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CNCC1=NC=CN=C1 B050431 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.20 NC1=CC=C(OC(F)F)C=C1 B014415 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.40 CNC(C)CC1=CN=CC=N1 B037035 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.86 NC1=CC=CC=C1OC(F)F B014397 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.157 C(F)(F)OC1=CC=CC(N)=C1 B046376 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,0,0|2,0,1]=4 13 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [0,0,0,1,0,0|2,0,1]=4 14 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [0,0,0,0,1,0|1,0,0]=2 16 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,0,0,0,1,0|2,0,1]=4 17 B9R1.13 CC(C)CN1C=CC=N1 B034864 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.13 CC(N)CC1=CC=CO1 B030489 [0,0,0,0,1,0|1,0,0]=2 19 B9R1.13 CC(N)CN1C=CC=N1 B021100 [0,0,0,0,1,0|2,0,0]=3 20 B9R1.13 CC(N)CN1C=CN=C1 B049820 [0,0,0,0,1,0|2,0,0]=3 21 B9R1.13 CC(N)CN1C=NC=N1 B050434 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.13 CC(O)CN1C=CC=N1 B022021 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,1|2,0,1]=4 24 B8R1.2 NCC1=NC=CN=C1 B050555 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.17 NCCCC1=CC=CC=N1 B048973 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.27 CC(CN)CN1C=CC=N1 B024098 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.27 CCC(N)CN1C=CN=C1 B049400 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.54 CC(N)CC1=CN(C)N=C1 B051166 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.54 CC1=CC(CC(C)N)=NN1 B037052 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.54 CC1=CN(CC(C)N)N=C1 B021099 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.54 CC1=NN(CC(C)N)C=C1 B021098 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.54 CC1=NN(CC(C)N)C=C1 B047514 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.64 CC(N)CC1=CC=NN1C B051165 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 B059712 [0,1,0,0,0,1|1,0,0]=3 41 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 B039764 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B034851 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B037063 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [0,1,0,0,0,1|1,0,1]=4 45 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,0,1|1,0,1]=4 46 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 B059710 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.125 NC1=C(OCC(F)F)C=CC=C1 B034854 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.125 NC1=CC=CC=C1SCC(F)F B036156 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 B059714 [0,1,0,0,0,1|1,0,0]=3 50 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 B059711 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.226 NC1=CC=CC(OCC(F)F)=C1 B030863 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 B037539 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 B000275 [0,2,0,0,0,0|2,0,0]=4 54 B12R1.4 CN(C)CC1=CC=C(CN)C=C1 B059691 [0,2,0,0,0,0|2,0,0]=4 55 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.106 CC(C)(N)CC1=CC=C(Cl)C=C1 B049903 [0,2,0,0,0,0|0,0,0]=2 57 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 B030337 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 B048679 [0,2,0,0,0,0|1,0,1]=4 59 B12R1.50 CNC(C)CC1=CC(C)=CC=N1 B037033 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O B034862 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 B049576 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.75 CN(C)CC1=C(CN)C=CC=C1 B059689 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.438 CN(C)CC1=CC(C=O)=CC=C1 B059688 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 B059690 [0,2,0,0,0,0|2,0,0]=4 65 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,0,1,1,0,0|1,0,1]=4 66 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 B039577 [0,0,0,1,0,1|2,0,0]=4 67 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 B049415 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 B000495 [0,1,0,1,0,0|1,0,1]=4 69 B12R2.32 ClCC1=NC2=CC=CC=C2N1 B036351 [0,1,0,1,0,0|1,0,1]=4 70 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 B038617 [0,1,0,1,0,0|0,0,2]=4 71 B12R2.32 NCC1=NC2=CC=CC=C2N1 B036389 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,1,0,1,0,0|1,0,0]=3 73 B12R2.32 OCC1=NC2=CC=CC=C2N1 B036344 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.202 CC1=NC2=C(C=CC=C2N)N1 B049331 [0,1,0,1,0,0|1,0,1]=4 75 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|1,0,0]=3 76 B8R1.8 CCCN1C=CC=N1 B030577 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 CCCN1C=CN=C1 B046400 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|1,0,0]=3 79 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|1,0,0]=3 80 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.8 NCCC1=CNN=C1 B037041 [1,0,0,0,1,0|2,0,0]=4 82 B8R1.8 NCCC1=CNN=C1 B046264 [1,0,0,0,1,0|2,0,0]=4 83 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,1,0|2,0,0]=4 84 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,1,0|2,0,0]=4 85 B8R1.8 NCCN1C=CN=C1 B037992 [1,0,0,0,1,0|2,0,0]=4 86 B8R1.8 NCCN1C=CN=C1 B046367 [1,0,0,0,1,0|2,0,0]=4 87 B8R1.7 CC(N)C1=CC=CS1 B030506 [0,0,0,0,2,0|1,0,0]=3 88 B8R1.7 CC(N)C1=CSC=N1 B059754 [0,0,0,0,2,0|2,0,0]=4 89 B8R1.7 CC(N)C1=NC=CS1 B059669 [0,0,0,0,2,0|2,0,0]=4 90 B12R1.252 FC(F)CNCC1=CC=CC=C1 B039737 [0,0,0,0,0,2|2,0,0]=4