0 B13R2.369 CC1=CC2=C(C=CC=C2)N=C1Cl 7118560783 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 CC1=CC2=CC=CC=C2NC1=O 2630813 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O 7020240406 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 NC1CC2=CC=CC=C2NC1=O 2048871 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.369 O=C1NC2=CC=CC=C2NC1=O 2128590 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [1,0,0,0,0,0|1,0,2]=4 11 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [1,0,0,0,0,0|2,0,1]=4 13 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 2819404 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [1,0,0,0,0,0|2,1,0]=4 17 B14R2.1128 CCC1=CC2=CC=CC=C2NC1=O 22430484 [0,1,0,0,0,0|2,0,0]=3 18 B14R2.1128 N#CC1=CC2=CC=CC=C2NC1=O 7020691436 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.1128 NCC1=CC2=CC=CC=C2NC1=O 1048787 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O 7020691350 [0,1,0,0,0,0|1,0,1]=3 21 B14R2.8188 CC1=CC2=CC=CC=C2N(C)C1=O 7571174 [0,1,0,0,0,0|2,0,0]=3 22 B14R2.8239 CC1=CC2=CC(N)=CC=C2NC1=O 1151680 [0,1,0,0,0,0|2,0,0]=3 23 B14R2.8239 CC1=CC2=CC=C(N)C=C2NC1=O 1499898 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 2128591 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 1903378 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 1048342 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 1129961 [0,0,1,0,0,0|3,0,0]=4 28 B12R2.18 CC1=C(Br)C2=CC=CC=C2N1 1361130 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.18 CC1=C(I)C2=CC=CC=C2N1 1361959 [0,0,0,0,1,0|3,0,0]=4 30 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 4247509 [0,0,0,0,1,0|2,0,1]=4 31 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 1435637 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.18 NC1C(=O)NC2=C1C=CC=C2 6850887 [0,0,0,0,1,0|2,0,1]=4 33 B12R2.18 O=C1NC2=CC=CC=C2C1=O 2828769 [0,0,0,0,1,0|1,0,1]=3 34 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 1902056 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.40 O=C(CO)NC1=CC=CC=C1 1015594 [1,0,1,0,0,0|1,0,1]=4 36 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2129779 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 5009290 [1,0,1,0,0,0|1,0,0]=3 38 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 4787343 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.91 O=C(O)CNC1=CC=CN=C1 3355230 [1,0,1,0,0,0|1,0,1]=4 40 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 1314146 [1,0,1,0,0,0|1,0,0]=3 42 B11R1.91 O=[N+]([O-])\C=C\C1=CC=NC=C1 6922312 [1,0,1,0,0,0|2,0,0]=4 43 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 2826575 [2,0,0,0,0,0|1,0,1]=4 44 B11R2.20 C1=CC=C2C=CC=CC2=C1 2826500 [2,0,0,0,0,0|2,0,0]=4 45 B11R2.20 C1=CC=C2C=NC=CC2=C1 2826576 [2,0,0,0,0,0|1,0,0]=3 46 B13R1.133 O=C(O)\C(O)=C\C1=CC=C(F)C=C1 5980476 [0,1,1,0,0,0|2,0,0]=4 47 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O 2821948 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 2821489 [1,1,0,0,0,0|1,0,1]=4 49 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 5662506 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.162 NC1=C2NC(=O)C=CC2=CC=C1 3671265 [1,1,0,0,0,0|1,0,0]=3 51 B13R2.162 NC1=C2OC(=O)C=CC2=CC=C1 2204903 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 2822318 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 7020542827 [1,1,0,0,0,0|1,0,0]=3 54 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 7119870048 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 2832707 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 2212473 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.3683 OC1=CC2=C(C=C1)C=C(Br)C=C2 1259086 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 22430517 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.5179 OC1=CN=CC2=C1C=CC(Cl)=C2 4401431 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.45 O=CC1=C(Br)C2=CC=NC=C2S1 15296915 [0,1,0,0,1,0|2,0,0]=4 61 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O 1217764 [0,1,0,0,1,0|1,0,1]=4 62 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O 7119850531 [0,1,0,0,1,0|1,0,1]=4 63 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 7217960092 [0,1,0,0,1,0|2,0,0]=4 64 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O 1217729 [0,1,0,0,1,0|1,0,1]=4 65 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 1217765 [0,1,0,0,1,0|1,0,1]=4 66 B15R2.888 NCCC1=CC2=CC=CC=C2NC1=O 1048832 [0,2,0,0,0,0|2,0,0]=4 67 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O 2931551 [0,2,0,0,0,0|2,0,0]=4 68 B15R2.984 O=C(O)C1=CC2=CC=CC=C2OC1=O 0125160098 [0,2,0,0,0,0|2,0,0]=4 69 B15R2.1754 O=CC1=CC2=CC=C(Br)C=C2NC1=O 7020691372 [0,2,0,0,0,0|1,0,1]=4 70 B15R2.1754 O=CC1=CC2=CC=C(Cl)C=C2NC1=O 7020691362 [0,2,0,0,0,0|1,0,1]=4 71 B15R2.1824 CC1=CC=C2NC(=O)C(CN)=CC2=C1 1048790 [0,2,0,0,0,0|2,0,0]=4 72 B15R2.1824 O=C1NC2=CC=C(Cl)C=C2C=C1CCl 1048931 [0,2,0,0,0,0|2,0,0]=4 73 B15R2.1824 O=CC1=CC2=CC(Br)=CC=C2NC1=O 7020691373 [0,2,0,0,0,0|1,0,1]=4 74 B15R2.1824 O=CC1=CC2=CC(F)=CC=C2NC1=O 7020691360 [0,2,0,0,0,0|1,0,1]=4 75 B15R2.21243 C(=O)C1=CC2=CC=CC=C2N(C)C1=O 7119900023 [0,2,0,0,0,0|1,0,1]=4 76 B15R2.21243 CN1C(=O)C(CO)=CC2=CC=CC=C21 7119900024 [0,2,0,0,0,0|1,0,0]=3 77 B15R2.63893 CC1=CC2=CC(N)=CC=C2N(C)C1=O 5681569 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.21336 CC1=CC2=CC(CN)=CC=C2NC1=O 1192148 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.21336 COC1=CC=C2C=C(C)C(=O)NC2=C1 3463693 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.21336 COC1=CC=C2NC(=O)C(C)=CC2=C1 3463694 [0,2,0,0,0,0|2,0,0]=4 81 B15R2.62227 CC1=CC2=CC(C)=C(C)C=C2NC1=O 3463690 [0,2,0,0,0,0|2,0,0]=4 82 B15R2.63633 CC1=CC2=C(C)C=CC(C)=C2NC1=O 3463692 [0,2,0,0,0,0|2,0,0]=4 83 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 1178898 [0,0,1,1,0,0|2,0,0]=4 84 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)N1 6314184 [0,0,1,1,0,0|2,0,0]=4 85 B11R2.1 OC1=NNC2=CC=CC=C21 7020542804 [1,0,0,0,1,0|2,0,0]=4 86 B11R2.10 CC1=CC2=CC=CC=C2N1 7210741752 [1,0,0,0,1,0|2,0,0]=4 87 B11R2.10 O=C1CC2=CC=CC=C2N1 7017680945 [1,0,0,0,1,0|1,0,1]=4 88 B11R2.10 O=C1NC2=CC=CC=C2N1 7214190567 [1,0,0,0,1,0|2,0,0]=4 89 B11R2.10 O=C1NC2=CC=CC=C2O1 2129121 [1,0,0,0,1,0|2,0,0]=4 90 B11R2.36 OC1=CC=C2N=CNC2=C1 1088557 [1,0,0,0,1,0|2,0,0]=4