0 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 018455 [1,0,0,0,0,0|1,0,1]=3 1 B13R2.162 CC1=NC2=C(O)C=CC=C2C=C1 077193 [1,0,0,0,0,0|2,0,1]=4 2 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 005481 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 104620 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 NC1=NC2=C(O)C=CC=C2C=C1 216425 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.162 O=C1C=CC2=C(N1)C(Br)=CC=C2 304965 [1,0,0,0,0,0|0,1,0]=2 6 B13R2.162 OC1=CC2=C(O)C=CC=C2C=C1 131300 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 067569 [1,0,0,0,0,0|1,1,1]=4 8 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 040217 [1,0,0,0,0,0|1,0,2]=4 9 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O 237570 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N 236796 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 092678 [1,0,0,0,0,0|1,0,1]=3 12 B13R2.369 OC1=C(O)C=C2C=CC=CC2=C1 209264 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.5179 ClC1=CC=C2C(Cl)=CC=NC2=C1 078074 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.5179 ClC1=CC=NC2=CC(Br)=CC=C12 076401 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.5179 ClC1=NC=CC2=C1C=CC(Br)=C2 079981 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 078987 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 040728 [0,0,0,0,1,0|0,1,1]=3 18 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O 036369 [0,0,0,0,1,0|0,0,1]=2 19 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 010208 [0,0,0,0,1,0|0,1,1]=3 20 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 049137 [0,0,0,0,1,0|1,0,1]=3 21 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1Cl 033771 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.371 O=C(CCl)NC1=CC=CC=C1Cl 365264 [1,0,1,0,0,0|1,0,1]=4 23 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.226 NC(=O)COC1=CC(Cl)=CC=C1 403355 [1,0,1,0,0,0|1,0,1]=4 26 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [1,0,1,0,0,0|1,1,0]=4 27 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [1,0,1,0,0,0|1,1,0]=4 30 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl 001383 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F 004460 [1,0,1,0,0,0|2,0,0]=4 33 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [2,0,0,0,0,0|1,0,1]=4 34 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [2,0,0,0,0,0|2,0,0]=4 35 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [2,0,0,0,0,0|1,0,1]=4 36 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [2,0,0,0,0,0|1,0,1]=4 38 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [2,0,0,0,0,0|1,0,1]=4 40 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [2,0,0,0,0,0|1,0,1]=4 42 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [2,0,0,0,0,0|0,0,0]=2 44 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [2,0,0,0,0,0|1,0,0]=3 45 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [2,0,0,0,0,0|0,0,2]=4 47 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [2,0,0,0,0,0|1,0,1]=4 48 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [2,0,0,0,0,0|0,0,1]=3 51 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [2,0,0,0,0,0|1,0,0]=3 52 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [2,0,0,0,0,0|2,0,0]=4 53 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [2,0,0,0,0,0|1,1,0]=4 56 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 222044 [2,0,0,0,0,0|1,1,0]=4 57 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 040578 [2,0,0,0,0,0|0,1,1]=4 58 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 001208 [2,0,0,0,0,0|1,0,1]=4 59 B12R2.1081 CC1=CC=CC2=CC=CC=C12 099064 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 049298 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 092866 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 040234 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.1081 FC1=CC=CC2=CC=CC=C12 002697 [2,0,0,0,0,0|1,1,0]=4 64 B12R2.1081 IC1=CC=CC2=CC=CC=C12 005439 [2,0,0,0,0,0|1,1,0]=4 65 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 216423 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.1081 NC1=C2N=CC=CC2=CC=C1 092958 [2,0,0,0,0,0|1,0,1]=4 67 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 208940 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 093034 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 099744 [2,0,0,0,0,0|1,0,1]=4 70 B14R2.142 O=CC1=NC2=C(O)C=CC=C2C=C1 221569 [1,1,0,0,0,0|1,0,1]=4 71 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 049868 [0,1,0,0,1,0|1,0,1]=4 72 B14R2.11645 CCC1=CC=CC2=C1NC(=O)C2=O 033104 [0,1,0,0,1,0|1,0,1]=4 73 B14R2.27750 O=C1NC2=C(C1=O)C(Cl)=CC(Cl)=C2 079343 [0,1,0,0,1,0|1,0,1]=4 74 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 077200 [0,0,1,1,0,0|2,0,0]=4 75 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 066298 [0,0,1,1,0,0|1,1,0]=4 76 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 018361 [0,0,1,1,0,0|1,0,0]=3 77 B14R2.7969 CC(=O)C1=CC2=CC=CC(O)=C2O1 456363 [0,0,1,1,0,0|2,0,0]=4 78 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 222415 [0,0,1,0,1,0|1,0,1]=4 79 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 307069 [0,0,1,0,1,0|1,0,1]=4 80 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 040260 [1,0,0,0,1,0|0,0,2]=4 81 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [1,0,0,0,1,0|2,0,0]=4 82 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [1,0,0,0,1,0|0,0,1]=3