0 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 N\C(=N/O)C1=CC=NC=C1 B030084 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 N\C(=N/O)C1=CN=CC=C1 B030080 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 N\C(=N/O)C1=NC=CC=C1 B030083 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.12 O=C\C(=C/O)C1=CC=NC=C1 B049610 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 B022751 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.22 COC(=O)C1=NC=C(O)N=C1 B050274 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 B022963 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.22 N\C(=N\O)C1=CC=C(F)C=C1 B030589 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.222 COC(=O)C1=CC=CN=C1S B047304 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.222 N\C(=N/O)C1=CC=CC=C1F B034860 [0,1,0,0,0,0|3,0,0]=4 22 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.11 CCC(=O)C1=NC=CS1 B059780 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.11 CNC(=O)C1=CNN=C1 B046789 [0,0,0,0,1,0|3,0,0]=4 25 B9R1.11 CNC(=O)C1=NNC=C1 B047463 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.11 COC(=O)C1=CC=CN1 B049814 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.11 COC(=O)C1=CC=NN1 B016176 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.11 COC(=O)C1=CC=NO1 B038949 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.11 COC(=O)C1=CNN=C1 B030267 [0,0,0,0,1,0|3,0,0]=4 30 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.17 NCCCC1=CC=CC=N1 B048973 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.11 CCNC(=O)C1=CNN=C1 B046791 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.11 CCOC(=O)C1=CC=NN1 B016205 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.11 CCOC(=O)C1=CNN=C1 B038941 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.14 CCC(=O)C1=CN(C)N=C1 B036111 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.14 COC(=O)C1=CC=C(F)S1 B052513 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.23 CC(C)C(=O)C1=CC=CS1 B000293 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.149 COC(=O)C1=C(N)C=CS1 B020093 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.149 COC(=O)C1=C(O)C=CS1 B029631 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 B030337 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.371 NNC(=O)NC1=CC=CC=C1O B028981 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 B000457 [0,2,0,0,0,0|2,0,0]=4 50 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 B006528 [0,2,0,0,0,0|0,0,1]=3 51 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 B050024 [0,2,0,0,0,0|0,0,0]=2 53 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 B020924 [0,2,0,0,0,0|0,0,1]=3 54 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 B049655 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.30 NCCNC(=O)C1=CC=NC=C1 B039483 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,2,0,0,0,0|1,0,1]=4 58 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 B020230 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.367 CC1=C(C)C=C(C(=O)NN)C=C1 B014932 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 B029995 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 B049028 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.367 NNC(=O)C1=CC=C(Cl)C(Cl)=C1 B018465 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 B029994 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 B051575 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.354 COC(=O)C1=CC(N)=CC=C1Cl B049214 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 B049563 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 B020237 [0,2,0,0,0,0|1,0,0]=3 68 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,0,1,1,0,0|1,0,1]=4 69 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 B000495 [0,0,0,1,0,1|2,0,0]=4 70 B12R2.32 ClCC1=NC2=CC=CC=C2N1 B036351 [0,0,0,1,0,1|2,0,0]=4 71 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 B038617 [0,0,0,1,0,1|2,0,0]=4 72 B12R2.32 NCC1=NC2=CC=CC=C2N1 B036389 [0,0,0,1,0,1|2,0,0]=4 73 B12R2.32 NCC1=NC2=CC=CC=C2O1 B039653 [0,0,0,1,0,1|1,0,1]=4 74 B12R2.32 NCC1=NC2=CC=CC=C2S1 B039668 [0,0,0,1,0,1|1,1,0]=4 75 B12R2.32 OCC1=NC2=CC=CC=C2N1 B036344 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 B050678 [0,1,0,1,0,0|1,0,0]=3 77 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|1,0,1]=4 78 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [0,0,0,0,0,2|2,0,0]=4