0 B14R2.28472 CC1=C(C=C2C(=CC=NC2=C1)Cl)C BBO000166 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.28472 CC1=CC2=C(C=CN=C2C=C1Br)Cl BBO000607 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.28472 CC1=CC2=NC=CC(=C2C=C1Br)Cl BBO000605 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.28472 ClC1=CC=NC2=CC(=C(C=C12)Cl)Cl BBO000143 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.162 CC1=CC=C2C=CN=C(C2=C1)Cl PH009950 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)Cl BBO000230 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 ClC1=CC=C2N=CC=C(C2=C1)Cl BBO000145 [1,0,0,0,0,0|3,0,0]=4 7 B13R2.162 ClC1=CC=NC2=CC=C(C=C12)Br JRD0187 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.162 FC1=CC2=C(C=C1)N=CC=C2Cl BBO000711 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,0,0,0|1,0,2]=4 12 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [1,0,0,0,0,0|1,2,0]=4 19 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)Cl BBO000174 [1,0,0,0,0,0|3,0,0]=4 20 B13R2.5179 ClC1=CC2=C(C=C1)C(=CC=N2)Cl R426881 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.5179 ClC1=CC=NC2=CC(=CC=C12)Br BBO000274 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [1,0,0,0,0,0|1,1,1]=4 23 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl BBO000702 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.5179 FC1=CC=C2C(=CC=NC2=C1)Cl CDS007214 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,0,0,0,0,0|3,0,0]=4 27 B13R2.5179 NC1=NC=C2C(=CC=CC2=N1)Cl CDS016761 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.40 CC1=C(C=CC=C1Cl)NC(=O)CCl S378038 [0,0,1,0,0,0|1,0,2]=4 29 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [0,0,1,0,0,0|1,0,2]=4 30 B13R1.40 CNC(=O)NC1=CC=CC(=C1Cl)Cl S623687 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.40 COC(=O)NC1=C(C(=CC=C1)Cl)Cl S638102 [0,0,1,0,0,0|3,0,0]=4 32 B13R1.40 N#CC(=O)NC1=C(C(=CC=C1)Cl)Cl S744301 [0,0,1,0,0,0|2,0,1]=4 33 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S188891 [0,0,1,0,0,0|2,0,1]=4 34 B13R1.40 O=C(CCl)NC1=CC=CC(=C1Cl)Cl S718033 [0,0,1,0,0,0|2,0,1]=4 35 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,0,1,0,0,0|3,0,0]=4 36 B13R1.148 CN(C)C(=O)NC1=CC(=CC=C1)Cl S590371 [0,0,1,0,0,0|2,0,1]=4 37 B13R1.148 O=C(NC1=CC(=CC=C1)Cl)C(Cl)Cl S795542 [0,0,1,0,0,0|2,0,1]=4 38 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,0,1,0,0,0|2,1,0]=4 39 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,0,1,0,0,0|2,0,0]=3 40 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,0,0,0,1,0|2,0,1]=4 41 B13R2.4856 CC1=CC=CC2=C1C(C(=O)N2)N T317225 [0,0,0,0,1,0|2,0,1]=4 42 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,0,0,0,1,0|0,0,1]=2 43 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,0,0,0,1,0|0,1,1]=3 44 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,0,0,0,1,0|0,1,1]=3 45 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [1,0,1,0,0,0|1,0,1]=4 46 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [1,0,1,0,0,0|0,0,2]=4 47 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [1,0,1,0,0,0|1,0,1]=4 48 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [1,0,1,0,0,0|1,0,1]=4 50 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [1,0,1,0,0,0|1,0,0]=3 51 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [1,0,1,0,0,0|1,0,0]=3 52 B12R1.224 NC(=O)NC1=CC=CC(=C1Cl)Cl S599328 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [1,0,1,0,0,0|1,0,1]=4 58 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [1,0,1,0,0,0|1,0,1]=4 59 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [1,0,1,0,0,0|1,0,0]=3 61 B12R1.542 COC1=C(C=CC=C1Cl)NC=O S623334 [1,0,1,0,0,0|1,0,1]=4 62 B12R1.1631 O=C/C=C/C1=C(C=CC=C1F)F CDS020168 [1,0,1,0,0,0|1,1,0]=4 63 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [2,0,0,0,0,0|0,0,1]=3 66 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [2,0,0,0,0,0|0,1,1]=4 71 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [2,0,0,0,0,0|2,0,0]=4 72 B14R1.550 N#C/C(=C\C1=C(C=CC=C1)F)/C(=O)N L253030 [0,1,1,0,0,0|1,1,0]=4 73 B14R1.550 N#CC(=CC1=CC=CC=C1Cl)C(=O)N S523674 [0,1,1,0,0,0|1,0,0]=3 74 B14R1.5971 C/C(=C\C1=C(C=CC=C1Cl)Cl)/C(=O)O PH003467 [0,1,1,0,0,0|2,0,0]=4 75 B14R1.6049 C/C(=C\C1=CC=C(C=C1Cl)Cl)/C(=O)O R151157 [0,1,1,0,0,0|2,0,0]=4 76 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2Cl BBO000696 [1,1,0,0,0,0|2,0,0]=4 77 B14R2.8235 NC1=CC2=C(C=C(C=C2N=C1)Cl)Cl BBO000646 [1,1,0,0,0,0|1,0,1]=4 78 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [1,1,0,0,0,0|1,0,0]=3 79 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [1,1,0,0,0,0|1,0,1]=4 82 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [1,1,0,0,0,0|1,0,1]=4 85 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [1,1,0,0,0,0|1,0,1]=4 86 B14R2.1801 O=CC1=CC=C2C(=C1)C=CN=C2Cl CDS024086 [1,1,0,0,0,0|2,0,0]=4 87 B14R2.8038 O=C1COC2=C(C=CC=C2N1O)Cl T320749 [1,1,0,0,0,0|1,0,1]=4 88 B14R2.28480 CC1=CC(=O)C2=C(N1)C=CC=C2C R261815 [1,1,0,0,0,0|2,0,0]=4 89 B14R2.29365 CC1=NC2=CC(=CC(=C2C=C1)Cl)Cl BBO000184 [1,1,0,0,0,0|1,0,1]=4 90 B14R2.29365 O=C1COC2=C(N1)C=C(C=C2Cl)Cl PH011058 [1,1,0,0,0,0|1,0,1]=4 91 B14R2.4506 N1C(=O)C(=O)C2=C1C=CC(=C2Cl)Cl S53881 [0,1,0,0,1,0|0,0,1]=3 92 B14R2.27750 O=C1NC2=C(C1=O)C(=CC(=C2)Cl)Cl PH011218 [0,1,0,0,1,0|0,0,1]=3 93 B14R2.4529 O=C(O)C1=CC2=CC=C(C=C2N1)Cl PH006850 [0,0,1,1,0,0|2,0,0]=4 94 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl PH000388 [0,0,1,1,0,0|2,0,0]=4 95 B14R2.741 O=C1C=CC2=CC=CC=C2C=C1O T276758 [0,0,1,1,0,0|2,0,0]=4 96 B14R2.781 NC(=O)C1=CC2=C(C=CC=C2)OC1 PH004711 [0,0,1,1,0,0|2,0,0]=4 97 B14R2.7150 C(=O)NC1=CC=CC2=C1C=CC=C2 S504084 [0,0,1,1,0,0|2,0,0]=4 98 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,0,1,0,1,0|0,0,2]=4 99 B12R2.202 ClC1=CC=NC2=C1C=C(N2)I CVT00093 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.202 OC1=NC2=C(S1)C=CC=C2Cl R587354 [1,0,0,0,1,0|2,0,0]=4 101 B12R2.203 ClC1=C2C(=CNC2=CC=N1)I ADE001313 [1,0,0,0,1,0|2,0,0]=4 102 B12R2.203 ClC1=C2C(=CNC2=NC=C1)Br SYX00215 [1,0,0,0,1,0|2,0,0]=4 103 B12R2.203 ClC1=C2C(=CNC2=NC=C1)I ADE000946 [1,0,0,0,1,0|2,0,0]=4 104 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,1,0|2,0,0]=4 105 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,0,0,0,1,0|1,0,1]=4 106 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,0,1,0|0,0,1]=3 108 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [1,0,0,0,1,0|0,0,2]=4 109 B14R1.5978 CC(=O)CC(=O)NC1=CC(=CC=C1)Cl S384615 [0,0,1,0,0,1|0,0,2]=4 110 B14R1.5978 NC(=S)NC(=O)NC1=CC=CC(=C1)Cl S904236 [0,0,1,0,0,1|1,1,0]=4