0 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 018455 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 005481 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 104620 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.162 OC1=CC2=C(O)C=CC=C2C=C1 131300 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 067569 [1,0,0,0,0,0|1,1,0]=3 5 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 040217 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O 237570 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N 236796 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 092678 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.369 OC1=C(O)C=C2C=CC=CC2=C1 209264 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.5179 ClC1=CC=C2C(Cl)=CC=NC2=C1 078074 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.5179 ClC1=CC=NC2=CC(Br)=CC=C12 076401 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.5179 ClC1=NC=CC2=C1C=CC(Br)=C2 079981 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=N1 217489 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.5179 OC1=CC2=CC=CC(O)=C2C=C1 078987 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 040728 [0,0,0,0,1,0|1,1,1]=4 16 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O 036369 [0,0,0,0,1,0|1,0,1]=3 17 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 010208 [0,0,0,0,1,0|1,1,1]=4 18 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 049137 [0,0,0,0,1,0|0,0,1]=2 19 B12R1.50 NNC(=O)NC1=CC(Cl)=CC=C1 018441 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.224 O=C(O)CC1=CC=CC(Cl)=C1Cl 033771 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O 340690 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.125 NC(=O)COC1=C(Cl)C=CC=C1 106330 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.125 NC(=O)\C=C\C1=C(F)C=CC=C1 102686 [1,0,1,0,0,0|0,1,0]=3 26 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F 014739 [1,0,1,0,0,0|1,1,0]=4 27 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 001107 [1,0,1,0,0,0|1,1,0]=4 28 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 001142 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F 001440 [1,0,1,0,0,0|1,1,0]=4 30 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O 375171 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl 241709 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1Cl 001383 [1,0,1,0,0,0|1,0,1]=4 33 B12R1.1009 O=C(O)CC1=C(Cl)C=CC=C1F 004460 [1,0,1,0,0,0|1,0,1]=4 34 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [2,0,0,0,0,0|1,0,1]=4 35 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [2,0,0,0,0,0|1,0,1]=4 37 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [2,0,0,0,0,0|1,0,1]=4 39 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [2,0,0,0,0,0|1,0,1]=4 41 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [2,0,0,0,0,0|1,0,1]=4 43 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [2,0,0,0,0,0|0,0,0]=2 45 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [2,0,0,0,0,0|1,0,0]=3 46 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [2,0,0,0,0,0|1,0,0]=3 47 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [2,0,0,0,0,0|0,0,2]=4 48 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [2,0,0,0,0,0|1,0,1]=4 51 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [2,0,0,0,0,0|0,0,1]=3 52 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [2,0,0,0,0,0|1,0,0]=3 53 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [2,0,0,0,0,0|1,1,0]=4 57 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 222044 [2,0,0,0,0,0|1,1,0]=4 58 B12R2.1081 BrC1=CC=CC2=NC=CC=C12 048864 [2,0,0,0,0,0|0,1,1]=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|0,0,1]=3 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=CC=CC2=NC=CC=C12 048215 [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=C2C=CC=NC2=CC=C1 076698 [2,0,0,0,0,0|1,0,1]=4 69 B14R2.142 COC1=CC2=C(N)C=CC=C2C=C1 226190 [1,1,0,0,0,0|2,0,0]=4 70 B14R2.29365 O=C1C=CC2=C(C=C(O)C=C2O)O1 209765 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.27750 O=C1NC2=C(C1=O)C(Cl)=CC(Cl)=C2 079343 [0,1,0,0,1,0|0,0,1]=3 72 B16R2.126889 O=C(O)C1=CC2=CC=CC(O)=C2C=C1O 103054 [0,2,0,0,0,0|2,0,0]=4 73 B14R2.781 NC(=O)C1=CC=C2C=CC=CC2=C1 321834 [0,0,1,1,0,0|2,0,0]=4 74 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl 049142 [0,0,1,0,1,0|1,0,1]=4 75 B12R1.124 O=C(O)[C@@H](O)C1=CC=CC=C1Cl 209997 [0,0,1,0,1,0|1,0,1]=4 76 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [1,0,0,0,1,0|0,0,1]=3