0 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=2 4 B9R1.8 CNCC1=NC=CN=C1 B050431 [1,0,0,0,0,0|2,0,0]=3 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 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.16 CC(N=C=O)C1=CC=CC=C1 B028614 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.16 OC(C#CBr)C1=CC=CC=C1 B049488 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.17 NC1=CC=CC=C1OCCO B030703 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.17 NCCCC1=CC=CC=C1Cl B049213 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.40 CNC(C)CC1=CN=CC=N1 B037035 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.12 CNCCC1=CNN=C1 B037042 [0,0,0,0,1,0|2,0,0]=3 20 B8R1.2 NCC1=NC=CN=C1 B050555 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|0,0,0]=2 23 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|0,0,0]=2 25 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|0,0,0]=2 26 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,0,1]=3 28 B10R1.66 CC(N)CCC1=CC=CO1 B020889 [0,1,0,0,1,0|2,0,0]=4 29 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,2,0,0,0,0|1,0,1]=4 30 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 B050024 [0,2,0,0,0,0|0,0,1]=3 31 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 B059712 [0,2,0,0,0,0|2,0,0]=4 32 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,2,0,0,0,0|2,0,0]=4 33 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,2,0,0,0,0|1,0,1]=4 35 B12R1.71 COC1=CC=C(CCCN)C=C1 B049843 [0,2,0,0,0,0|2,0,0]=4 36 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 B030337 [0,2,0,0,0,0|1,0,1]=4 37 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [0,2,0,0,0,0|1,0,1]=4 38 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 B059710 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.267 CCCCOC1=C(N)C=CC=C1 B048532 [0,2,0,0,0,0|1,0,0]=3 40 B12R1.50 CNC(C)CC1=CC(C)=CC=N1 B037033 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 B059714 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 B059711 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.382 CCCOC1=CC=CC(C=O)=C1 B000272 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.382 COC1=CC(CCCN)=CC=C1 B049845 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.8 NCCCNCC1=CC=CC=C1 B035593 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.252 FC(F)CNCC1=CC=CC=C1 B039737 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 B049576 [0,2,0,0,0,0|1,0,1]=4 51 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [0,1,0,1,0,0|2,0,0]=4 52 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [0,1,0,1,0,0|1,0,0]=3 53 B12R2.1081 CC1=CC=CC2=C1NCCC2 B016010 [0,1,0,1,0,0|2,0,0]=4 54 B12R2.1081 NC1=CC=CC2=C1CCCC2 B049826 [0,1,0,1,0,0|1,0,0]=3 55 B12R2.1081 OC1=CC=CC2=C1NCCC2 B050304 [0,1,0,1,0,0|2,0,0]=4 56 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.196 CN1N=NC2=C1C=CC=C2N B047296 [0,1,0,1,0,0|2,0,0]=4 58 B12R2.203 CN1N=NC2=C1C(N)=CC=C2 B047297 [0,1,0,1,0,0|2,0,0]=4 59 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 B039577 [0,1,0,1,0,0|2,0,0]=4 60 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 B000495 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|1,0,0]=3 62 B8R1.8 CCCN1C=CC=N1 B030577 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.8 CCCN1C=CN=C1 B046400 [1,0,0,0,1,0|2,0,0]=4 64 B8R1.8 CNCC1=CC=NN1 B029937 [1,0,0,0,1,0|2,0,0]=4 65 B8R1.8 CNCC1=CN=CS1 B059805 [1,0,0,0,1,0|2,0,0]=4 66 B8R1.8 CNCC1=NC=CN1 B059758 [1,0,0,0,1,0|2,0,0]=4 67 B8R1.8 CNCC1=NC=CS1 B059668 [1,0,0,0,1,0|2,0,0]=4 68 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|1,0,0]=3 69 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|1,0,0]=3 70 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,1,0|2,0,0]=4 71 B8R1.8 NCCC1=CNN=C1 B037041 [1,0,0,0,1,0|2,0,0]=4 72 B8R1.8 NCCC1=CNN=C1 B046264 [1,0,0,0,1,0|2,0,0]=4 73 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,1,0|2,0,0]=4 74 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,1,0|2,0,0]=4 75 B8R1.8 NCCN1C=CN=C1 B037992 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.8 NCCN1C=CN=C1 B046367 [1,0,0,0,1,0|2,0,0]=4