0 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.86 NC(=O)NC1=CC=CC=C1Cl B028823 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,0,0|2,0,0]=3 8 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [0,0,0,1,0,0|3,0,0]=4 9 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.6 NC(=S)C1=CC=CN=C1 B028584 [0,0,0,0,1,0|2,1,0]=4 11 B9R1.13 CC(=O)CN1C=CC=N1 B021105 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.13 CC(=O)CN1C=CN=C1 B039452 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.13 O=C(O)CN1C=CC=N1 B030032 [0,0,0,0,1,0|2,0,0]=3 14 B9R1.13 O=C(O)CN1C=CN=C1 B039463 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.13 O=C(O)CN1C=NC=N1 B052608 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,0,0,0,0,1|1,0,0]=2 17 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,0,0,0,0,1|0,0,0]=1 18 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,0,0,0,0,1|1,0,0]=2 19 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.13 O=C(O)C1=CC=C(O)N=C1 B049653 [0,1,0,0,1,0|1,0,0]=3 25 B10R1.61 NC1=C(C(=O)O)C=NC=N1 B050277 [0,1,0,0,1,0|2,0,0]=4 26 B10R1.61 O=C(O)C1=CC=NC=C1Br B050303 [0,1,0,0,1,0|1,0,0]=3 27 B10R1.23 CC(C(=O)O)N1C=CC=C1 B049276 [0,1,0,0,1,0|1,0,0]=3 28 B10R1.23 CC(C(=O)O)N1C=CC=N1 B035942 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.27 CCC(=O)CC1=CC=CO1 B050873 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.27 COC(=O)CN1C=CC=N1 B030300 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.27 COC(=O)CN1C=CN=C1 B039453 [0,1,0,0,1,0|2,0,0]=4 32 B10R1.27 NNC(=O)CC1=CC=CS1 B015007 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.54 CC1=CC(CC(=O)O)=NN1 B050171 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.54 CC1=CN(CC(=O)O)N=C1 B007158 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.54 CC1=NN(CC(=O)O)C=C1 B006507 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.54 CN1C=CC(CC(=O)O)=N1 B043667 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.54 NC1=CN(CC(=O)O)N=C1 B019318 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.54 NC1=CN(CC(=O)O)N=C1 B020846 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.54 NC1=CN(CC(=O)O)N=C1 B025636 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.54 NC1=NN(CC(=O)O)C=C1 B019309 [0,1,0,0,1,0|2,0,0]=4 41 B10R1.54 NC1=NN(CC(=O)O)C=C1 B029376 [0,1,0,0,1,0|2,0,0]=4 42 B10R1.54 O=C(O)CC1=CC(=O)NN1 B050599 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.54 O=C(O)CC1=CC=C(F)S1 B052453 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.54 O=C(O)CN1C=C(Br)C=N1 B018507 [0,1,0,0,1,0|2,0,0]=4 45 B10R1.54 O=C(O)CN1C=C(Cl)C=N1 B020509 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.54 O=C(O)CN1C=C(I)C=N1 B047767 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.54 O=C(O)CN1C=CC(Br)=N1 B050952 [0,1,0,0,1,0|2,0,0]=4 48 B10R1.64 CC1=CC=NN1CC(=O)O B007143 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.64 CN1N=CC=C1CC(=O)O B047059 [0,1,0,0,1,0|2,0,0]=4 50 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,1,0,0,0,1|0,0,0]=2 51 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,1,0,0,0,1|0,0,0]=2 52 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,1,0,0,0,1|0,0,0]=2 53 B12R1.27 NNC(=O)CNC1=CC=CC=C1 B003339 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.27 NNC(=O)CSC1=NC=CC=C1 B003368 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 B050535 [0,1,0,0,0,1|1,0,0]=3 56 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 B048718 [0,1,0,0,0,1|1,0,1]=4 57 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,1,0,0,0,1|0,0,0]=2 58 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,1,0,0,0,1|0,0,0]=2 59 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,1,0,0,0,1|0,0,0]=2 60 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 B037539 [0,1,0,0,0,1|1,0,1]=4 61 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 B014952 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Cl)C=C1 B036466 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 B030337 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.253 CC(=O)C(C)(O)C1=CN=CC=C1 B049634 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.478 CC(=O)C(C#N)C1=CC=CC=C1 B048679 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O B034862 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.194 C#CC(C)(O)CC1=CC=CC=C1 B049576 [0,2,0,0,0,0|1,0,1]=4 68 B12R1.371 NNC(=O)NC1=CC=CC=C1O B028981 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.127 O=C(O)CC1=CC(=O)NNC1=O B050343 [0,2,0,0,0,0|2,0,0]=4 70 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 B049968 [0,1,0,1,0,0|1,0,1]=4 71 B12R2.606 CC1=NC2=C(C=C(N)C=C2)O1 B049148 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.606 ClC1=CC=C2OC(Cl)=NC2=C1 B039590 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 B048996 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 B049000 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.606 SC1=NC2=CC(Cl)=CC=C2O1 B039586 [0,1,0,1,0,0|1,1,0]=4 76 B12R2.606 SC1=NC2=CC=C(Cl)C=C2O1 B039594 [0,1,0,1,0,0|1,1,0]=4 77 B12R2.32 NCC1=NC2=CC=CC=C2O1 B039653 [0,1,0,1,0,0|2,0,0]=4 78 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,1,0,1,0,0|1,0,1]=4 79 B12R2.32 O=CC1=NC2=CC=CC=C2S1 B059742 [0,1,0,1,0,0|1,1,0]=4 80 B12R2.32 OCC1=NC2=CC=CC=C2N1 B036344 [0,1,0,1,0,0|2,0,0]=4 81 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 B049981 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.7 O=C(O)C1=CC=NS1 B049203 [0,0,0,0,2,0|2,0,0]=4 83 B8R1.7 O=C(O)C1=CNN=C1 B015883 [0,0,0,0,2,0|2,0,0]=4 84 B8R1.7 O=C(O)C1=NNC=C1 B000140 [0,0,0,0,2,0|2,0,0]=4 85 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [0,0,0,0,0,2|1,0,0]=3 86 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [0,0,0,0,0,2|1,0,0]=3