0 B13R2.369 CC1=CC2=CC=CC=C2N=C1N 71190 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 CC1=NC2=CC=CN=C2NC1=O 77947 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 ClC1=CC2=CC=CN=C2C=C1Cl 84458 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O W10297 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Cl D89502 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1O T73087 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.24 CC1=CC2=CC=CC=C2C=N1 63496 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 CC1=CC=C2N=CC=CC2=C1 20449 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 OC1=NC2=CC=CC=C2N=C1 P50007 [1,0,0,0,0,0|1,0,1]=3 9 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O D97763 [0,1,0,0,0,0|1,0,1]=3 10 B14R2.8188 CN1C(=O)CC2=C(C=CC=C2)C1=O 83371 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.8188 N[C@H]1CC2=C(C=CC=C2)N(O)C1=O E72225 [0,1,0,0,0,0|1,0,2]=4 12 B14R2.8239 C[C@@H]1SC2=C(C=C(Br)C=C2)NC1=O 77182 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 78150 [0,0,1,0,0,0|2,0,0]=3 14 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10693 [0,0,1,0,0,0|1,0,2]=4 15 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 29878 [0,0,1,0,0,0|1,0,2]=4 16 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)N1 F11727 [0,0,0,0,1,0|2,0,0]=3 17 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 D87899 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.40 O=CC(Cl)=CC1=CC=CC=C1 D94582 [1,0,1,0,0,0|1,0,0]=3 19 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [1,0,1,0,0,0|1,0,1]=4 20 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 H10800 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.86 NC(=O)CC1=C(N)C=CC=C1 D78598 [1,0,1,0,0,0|1,0,1]=4 22 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 H11652 [1,0,1,0,0,0|2,0,0]=4 23 B11R2.20 C1=CC=C2N=CC=CC2=C1 D95380 [2,0,0,0,0,0|0,0,1]=3 24 B11R2.20 C1=CC=C2N=CC=CC2=C1 H10805 [2,0,0,0,0,0|0,0,1]=3 25 B13R1.133 O=C(O)C(=O)CC1=CC=C(Br)C=C1 C91210 [0,1,1,0,0,0|2,0,0]=4 26 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Br)=C1 C91155 [0,1,1,0,0,0|2,0,0]=4 27 B13R1.202 O=C(O)C(=O)CC1=C(Cl)C=CC=C1 C91158 [0,1,1,0,0,0|2,0,0]=4 28 B13R1.470 O=C(\C=N\O)NC1=C(Br)C=CC=C1 71683 [0,1,1,0,0,0|1,0,0]=3 29 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 D89712 [1,1,0,0,0,0|2,0,0]=4 30 B13R2.32 CC1=C(N)C2=CC=CC=C2C=C1 D88419 [1,1,0,0,0,0|2,0,0]=4 31 B13R2.32 ClC1=C(Cl)C2=CC=CC=C2N=C1 C15430 [1,1,0,0,0,0|1,0,1]=4 32 B13R2.32 FC1=C(Br)C=CC2=CC=CC=C21 78739 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.32 O=C1C(Br)=NNC2=C1C=CC=C2 AT18183 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.32 O=C1C(I)=COC2=C1C=CC=C2 C91063 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O F30116 [1,1,0,0,0,0|1,0,0]=3 36 B13R2.155 NC1=CC=C2C=CC(=O)N=C2N1 F17549 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.155 O=C1COC2=C(C=C(F)C=C2)N1 C10780 [1,1,0,0,0,0|1,0,1]=4 38 B13R2.162 NC1=CC=CC2=C1NC(=O)CO2 25723 [1,1,0,0,0,0|1,0,1]=4 39 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 65650 [1,1,0,0,0,0|0,0,2]=4 40 B13R2.328 O=C1C=C(O)NC2=C1C=CC=C2 O10804 [1,1,0,0,0,0|0,0,1]=3 41 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 AT22486 [1,1,0,0,0,0|1,1,0]=4 42 B13R2.328 [O-]C1=CC(O)=NC2=CC=CC=C12 D89686 [1,1,0,0,0,0|0,0,2]=4 43 B13R2.328 [O-][N+]1=CC(Br)=CC2=CC=CC=C21 78439 [1,1,0,0,0,0|1,0,1]=4 44 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 D75547 [1,1,0,0,0,0|1,0,1]=4 45 B13R2.3683 CC1=CC=C2N=C(Br)C=CC2=C1 33556 [1,1,0,0,0,0|1,0,1]=4 46 B13R2.3683 O=C1CSC2=C(C=CC(Cl)=C2)N1 AT25445 [1,1,0,0,0,0|1,0,1]=4 47 B13R2.3683 OC1=CN=C2C=C(Cl)C=CC2=N1 S10160 [1,1,0,0,0,0|1,0,1]=4 48 B13R2.5179 NC1=C2C=CC(O)=CC2=CC=C1 A51116 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.45 CC1=C(C=O)SC2=C1C=CC=C2 D81897 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.135 N\N=C1\C(=O)NC2=C1C=CC=C2 W10658 [0,1,0,0,1,0|1,0,0]=3 51 B13R2.3028 CC1=CC2=C(C=C1)NC(C)=C2Br 98498 [0,1,0,0,1,0|2,0,0]=4 52 B13R2.3028 O=C1NC2=C(C=C(O)C=C2)C1=O D86154 [0,1,0,0,1,0|0,0,1]=3 53 B13R2.4825 CC1=CC=CC2=C1NC(C)=C2Br 98496 [0,1,0,0,1,0|2,0,0]=4 54 B13R2.4856 CC1=C2C(=CC=C1)NC(C)=C2Br 98499 [0,1,0,0,1,0|2,0,0]=4 55 B13R2.5190 CC1=CC2=C(C=C1)C(Br)=C(C)N2 98497 [0,1,0,0,1,0|2,0,0]=4 56 B15R2.8448 CN1CC(=O)NC2=C(C=CC=C2)C1=O 63478 [0,1,0,0,0,1|2,0,0]=4 57 B15R2.984 O=C(O)C1=NC2=C(C=CC=C2)NC1=O 26768 [0,2,0,0,0,0|1,0,0]=3 58 B15R2.984 O=C([O-])C1=CC2=CC=CC=C2C=C1O D90830 [0,2,0,0,0,0|1,0,0]=3 59 B15R2.21336 COC1=CC2=C(C=C1)NC(=O)C(=O)N2 71209 [0,2,0,0,0,0|1,0,1]=4 60 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)S1 50326 [0,0,1,1,0,0|1,1,0]=4 61 B13R2.435 O=C([O-])C1=NC2=C(C=CC=C2)O1 C14314 [0,0,1,1,0,0|2,0,0]=4 62 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [0,0,1,0,1,0|1,0,1]=4 63 B11R1.36 O=C([O-])[C@H](O)C1=CC=CC=C1 D91272 [0,0,1,0,1,0|1,0,1]=4 64 B11R2.1 ClC1=NNC2=C1C=CC=C2 H11368 [1,0,0,0,1,0|2,0,0]=4 65 B11R2.1 SC1=CNC2=C1C=CC=C2 H10966 [1,0,0,0,1,0|0,1,0]=3 66 B13R1.348 C\C(=C/C1=CC=CC=C1)CC(N)=O T71269 [0,0,1,0,0,1|1,0,0]=3