0 B13R2.155 BrC1=CC=C2C=CC(Br)=CC2=C1 077436 [1,0,0,0,0,0|2,1,0]=4 1 B13R2.155 CC1=CC=C2C=CC(C)=CC2=C1 005541 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 076753 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.155 OC1=CC=C2C=CC(Br)=CC2=C1 076491 [1,0,0,0,0,0|1,1,0]=3 4 B13R2.155 OC1=CC=C2C=CC(O)=NC2=C1 076721 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.369 CC1=NC2=C(C=CC=C2)N=C1O 237570 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N 236796 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O 092678 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.369 OC1=C(O)C=C2C=CC=CC2=C1 209264 [1,0,0,0,0,0|1,0,1]=3 9 B13R2.3683 CC1=CC=C2N=C(C)C=CC2=C1 018867 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.3683 CC1=NC2=CC=C(Br)C=C2C=C1 002521 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 018454 [1,0,0,0,0,0|1,1,1]=4 12 B13R2.3683 CC1=NC2=CC=C(F)C=C2C=C1 002573 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.3683 ClC1=CC=C2C=C(Br)C=CC2=N1 040880 [1,0,0,0,0,0|1,1,1]=4 14 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=C1 067631 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.3683 NC1=CC2=CC=C(Br)C=C2C=C1 047803 [1,0,0,0,0,0|2,1,0]=4 16 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2N1 245876 [1,0,0,0,0,0|1,0,0]=2 17 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 069115 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)N1 040729 [1,0,0,0,0,0|0,1,2]=4 19 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 011766 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.3683 OC1=CC=C2C=C(Br)C=CC2=C1 048804 [1,0,0,0,0,0|1,1,1]=4 21 B13R2.3683 OC1=CC=C2N=C(O)C=CC2=C1 079759 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 013604 [0,0,1,0,0,0|3,0,0]=4 23 B13R1.2679 O=C(CCl)NC1=CC=C(F)C=C1F 008219 [0,0,1,0,0,0|2,0,1]=4 24 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O 093452 [0,0,0,0,1,0|1,0,1]=3 25 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 060624 [0,0,0,0,1,0|0,1,1]=3 26 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 001745 [0,0,0,0,1,0|0,1,1]=3 27 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O 008155 [0,0,0,0,1,0|0,0,1]=2 28 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O 013160 [0,0,0,0,1,0|0,1,1]=3 29 B13R2.5190 O=C1NC2=C(C=CC(Cl)=C2)C1=O 040367 [0,0,0,0,1,0|1,1,1]=4 30 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 001180 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 241185 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 004368 [1,0,1,0,0,0|1,0,1]=4 33 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 239535 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.226 NC(=O)COC1=CC(F)=CC=C1 106305 [1,0,1,0,0,0|1,0,1]=4 35 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 001108 [1,0,1,0,0,0|1,1,0]=4 36 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 358032 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 209894 [1,0,1,0,0,0|1,1,0]=4 38 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 001441 [1,0,1,0,0,0|1,0,0]=3 39 B12R1.226 O=[N+]([O-])\C=C\C1=CC(F)=CC=C1 240147 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.127 O=C(O)CC1=C(F)C=CC(F)=C1 001944 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 004774 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 034918 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 001927 [1,0,1,0,0,0|2,0,0]=4 44 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 044937 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 077976 [2,0,0,0,0,0|1,1,0]=4 46 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 067503 [2,0,0,0,0,0|0,1,1]=4 47 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 076108 [2,0,0,0,0,0|1,0,1]=4 48 B12R2.24 CC1=CC=C2C=CC=CC2=C1 216647 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.24 CC1=NC2=CC=CC=C2C=C1 078623 [2,0,0,0,0,0|1,0,1]=4 50 B12R2.24 ClC1=CC2=CC=CN=C2C=C1 049700 [2,0,0,0,0,0|0,1,1]=4 51 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 238872 [2,0,0,0,0,0|1,1,0]=4 52 B12R2.24 NC1=CC2=CC=CC=C2N=C1 064971 [2,0,0,0,0,0|1,0,1]=4 53 B12R2.24 NC1=CC2=CC=CN=C2C=C1 045222 [2,0,0,0,0,0|1,0,1]=4 54 B12R2.24 NC1=CC=C2C=CC=CC2=C1 079046 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 NC1=NC2=CC=CC=C2C=C1 105400 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.24 O=C1C=C2C=CC=CC2=CN1 208952 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 358402 [2,0,0,0,0,0|0,0,0]=2 58 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 O=C1C=NC2=CC=CC=C2N1 042360 [2,0,0,0,0,0|1,0,0]=3 60 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 047953 [2,0,0,0,0,0|0,0,2]=4 61 B12R2.24 O=C1CNC2=CC=CC=C2N1 015374 [2,0,0,0,0,0|1,0,1]=4 62 B12R2.24 O=C1COC2=CC=CC=C2N1 012228 [2,0,0,0,0,0|1,0,1]=4 63 B12R2.24 O=C1CSC2=CC=CC=C2N1 011093 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 OC1=CC2=CC=CC=C2N=C1 076701 [2,0,0,0,0,0|0,0,1]=3 65 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [2,0,0,0,0,0|1,0,0]=3 66 B12R2.24 OC1=CC=C2C=CC=NC2=C1 076325 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 OC1=CC=C2C=CN=CC2=C1 068840 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 OC1=CC=C2N=CC=CC2=C1 076700 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.24 SC1=CC=C2C=CC=CC2=C1 227409 [2,0,0,0,0,0|1,1,0]=4 70 B14R2.2332 O=CC1=CC=C2OC(=O)C=CC2=C1 023435 [1,1,0,0,0,0|2,0,0]=4 71 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O 040323 [1,1,0,0,0,0|2,0,0]=4 72 B14R2.8235 NC1=CC2=C(C=C1)NC(=O)OC2=O 018184 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.8235 O=C1C=C(O)C2=C(C=CC(Br)=C2)N1 211704 [1,1,0,0,0,0|0,1,0]=3 74 B14R2.8235 O=C1C=C(O)C2=CC(Br)=CC=C2O1 012114 [1,1,0,0,0,0|1,1,0]=4 75 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 012113 [1,1,0,0,0,0|1,1,0]=4 76 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(=O)O1 011637 [1,1,0,0,0,0|1,1,0]=4 77 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 018286 [1,1,0,0,0,0|1,1,0]=4 78 B14R2.8235 O=C1NC2=CC=C(F)C=C2C(=O)O1 034294 [1,1,0,0,0,0|1,0,0]=3 79 B14R2.645 O=C1NC2=C(C=C(F)C(F)=C2)C1=O 078059 [0,1,0,0,1,0|0,0,1]=3 80 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 043595 [0,1,0,0,1,0|1,0,1]=4 81 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 049868 [0,1,0,0,1,0|1,0,1]=4 82 B16R2.23521 O=C(O)C1=CC2=CC(Br)=CC=C2OC1=O 012134 [0,2,0,0,0,0|1,1,0]=4 83 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)N1 010193 [0,0,1,1,0,0|2,0,0]=4 84 B14R2.7969 CC(=O)C1=CC2=CC=CC(O)=C2O1 456363 [0,0,1,1,0,0|2,0,0]=4 85 B12R1.20 CC1=CC=C(C(=O)C(=O)O)C=C1 394018 [0,0,1,0,1,0|2,0,0]=4 86 B12R2.132 CC1=CSC2=CC=C(F)C=C12 008343 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.132 NC1=NNC2=CC=C(F)C=C21 237035 [1,0,0,0,1,0|2,0,0]=4 88 B12R2.606 CC1=CC=C2NC(C)=CC2=C1 023432 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 223002 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [1,0,0,0,1,0|0,0,1]=3 91 B12R2.612 O=C1CCC2=CC(F)=CC=C12 001181 [1,0,0,0,1,0|0,0,2]=4 92 B14R1.698 CC1=CC=C(NC(=O)CC(=O)O)C=C1 038977 [0,0,1,0,0,1|2,0,0]=4