0 B10R1.15 C#CC(=O)C1=CC=CC=C1 B048976 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 C\C(=N/O)C1=CC=NC=C1 B006530 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(N)C1=CC=NC=C1 B006179 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 B048575 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.7 C#CC(C)(O)C1=CC=CN=C1 B049463 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.7 C#CC(C)(O)C1=CC=NC=C1 B050399 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.7 C#CC(C)(O)C1=NC=CC=C1 B050395 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.16 CC(N=C=O)C1=CC=CC=C1 B028614 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.16 OC(C#CBr)C1=CC=CC=C1 B049488 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.22 CNC(C)C1=CC=C(F)C=C1 B039530 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.222 NNC(=O)C1=CC=CC=C1N B015275 [0,1,0,0,0,0|2,0,1]=4 18 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.11 CC(CN)N1C=CC=N1 B037385 [0,0,0,0,1,0|2,0,0]=3 20 B9R1.11 CC(CN)N1C=NC=N1 B050435 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.11 CC(CO)N1C=CC=N1 B039562 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.11 CCC(C)N1C=CC=N1 B036487 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.2 NCC1=NC=CN=C1 B050555 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.17 NCCCC1=CC=CC=N1 B048973 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,0,1]=3 31 B10R1.9 CCC(CN)N1C=CC=N1 B037403 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.14 CC(CN)N1C=C(I)C=N1 B047766 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.14 CC(CN)N1C=C(I)C=N1 B052423 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.14 CC1=CN(C(C)CN)N=C1 B037388 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.14 CC1=NN(C(C)CN)C=C1 B037386 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 B049576 [0,1,0,0,0,1|1,0,1]=4 37 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 B048679 [0,2,0,0,0,0|0,0,2]=4 38 B12R1.16 CNCC(=O)C1=CC=C(O)C=C1 B050024 [0,2,0,0,0,0|1,0,1]=4 39 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [0,2,0,0,0,0|1,0,1]=4 40 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B028560 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 B039170 [0,2,0,0,0,0|2,0,0]=4 42 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 B029995 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 B029994 [0,2,0,0,0,0|2,0,0]=4 44 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 B038617 [0,0,0,1,0,1|0,0,2]=4 45 B12R2.32 NCC1=NC2=CC=CC=C2N1 B036389 [0,0,0,1,0,1|1,0,1]=4 46 B12R2.32 NCC1=NC2=CC=CC=C2O1 B039653 [0,0,0,1,0,1|1,0,1]=4 47 B12R2.32 NCC1=NC2=CC=CC=C2S1 B039668 [0,0,0,1,0,1|1,0,1]=4 48 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,0,0,1,0,1|0,0,0]=2 49 B12R2.196 CC1=NNC2=C1C=CC=C2N B049044 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.7 CC(C)C1=NNC=C1 B037623 [1,0,0,0,1,0|2,0,0]=4 51 B8R1.7 CC(C)N1C=CC=N1 B036490 [1,0,0,0,1,0|2,0,0]=4 52 B8R1.7 CC(C)N1C=CN=C1 B039769 [1,0,0,0,1,0|2,0,0]=4 53 B8R1.7 CC(N)C1=CC=CS1 B030506 [1,0,0,0,1,0|1,0,0]=3 54 B8R1.7 CC(N)C1=CSC=N1 B059754 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.7 CC(N)C1=NC=CS1 B059669 [1,0,0,0,1,0|2,0,0]=4 56 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|1,0,0]=3 58 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|1,0,0]=3 59 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,1,0|2,0,0]=4 60 B8R1.8 NCCC1=CNN=C1 B037041 [1,0,0,0,1,0|2,0,0]=4 61 B8R1.8 NCCC1=CNN=C1 B046264 [1,0,0,0,1,0|2,0,0]=4 62 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,1,0|2,0,0]=4 64 B8R1.8 NCCN1C=CN=C1 B037992 [1,0,0,0,1,0|2,0,0]=4 65 B8R1.8 NCCN1C=CN=C1 B046367 [1,0,0,0,1,0|2,0,0]=4