0 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1Cl)C BBO000741 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1N)C BBO000544 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [1,0,0,0,0,0|1,1,1]=4 5 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [1,0,0,0,0,0|1,1,0]=3 6 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [1,0,0,0,0,0|0,1,0]=2 7 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [1,0,0,0,0,0|2,0,0]=3 16 B13R2.369 S=C1NC2=C(C=CC=C2)NC1=S PH008919 [1,0,0,0,0,0|1,2,0]=4 17 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.5179 NC1=CC2=CC=CC(=C2N=C1)Br BBO000641 [1,0,0,0,0,0|1,1,1]=4 20 B15R2.2039 CC1=C2N=C(C(=CC2=CC=C1)CO)Cl BBO000265 [0,1,0,0,0,0|2,0,1]=4 21 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,0,1,0,0,0|3,0,0]=4 22 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,0,1,0,0,0|2,1,0]=4 23 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,0,1,0,0,0|2,1,0]=4 24 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,0,1,0,0,0|3,0,0]=4 25 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,0,1,0,0,0|2,1,0]=4 26 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,0,1,0,0,0|1,2,0]=4 27 B13R2.4825 CC1=CC=CC2=C1NC(=C2C)C CDS014194 [0,0,0,0,1,0|3,0,0]=4 28 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O S639125 [0,0,0,0,1,0|1,0,1]=3 29 B13R2.4825 NC1C(=O)NC2=C(C=CC=C12)Cl CBR01431 [0,0,0,0,1,0|1,1,1]=4 30 B13R2.4856 N1C(=O)C(=O)C2=C1C=CC=C2Cl S337161 [0,0,0,0,1,0|1,1,1]=4 31 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)Br PH016095 [0,0,0,0,1,0|1,1,1]=4 32 B13R2.4856 O=C1NC2=C(C1=O)C(=CC=C2)F CDS020844 [0,0,0,0,1,0|1,0,1]=3 33 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [1,0,1,0,0,0|1,0,1]=4 35 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [1,0,1,0,0,0|1,1,0]=4 36 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [1,0,1,0,0,0|1,0,1]=4 40 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [2,0,0,0,0,0|1,0,1]=4 42 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [2,0,0,0,0,0|0,0,1]=3 43 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [2,0,0,0,0,0|1,0,1]=4 45 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [2,0,0,0,0,0|0,1,1]=4 46 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [2,0,0,0,0,0|0,0,1]=3 47 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [2,0,0,0,0,0|2,0,0]=4 48 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [2,0,0,0,0,0|1,0,1]=4 49 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [2,0,0,0,0,0|1,0,1]=4 50 B14R1.243 C=C(C)C(=O)N(C)C1=CC=CC=C1C S420697 [0,1,1,0,0,0|2,0,0]=4 51 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)F)Br BBO000285 [1,1,0,0,0,0|1,0,1]=4 52 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O T315990 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)Cl)F BBO000175 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)N)F CBR01404 [1,1,0,0,0,0|1,0,1]=4 55 B14R2.8045 CC1=NC2=C(C=CC=C2C(=C1)O)F BBO000053 [1,1,0,0,0,0|1,0,1]=4 56 B14R2.11684 COC1=C2OC(=O)C=CC2=CC=C1 IDF00005 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O UPL0014 [1,1,0,0,0,0|1,0,0]=3 58 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl BBO000266 [1,1,0,0,0,0|1,0,1]=4 59 B14R2.8188 CC1=NC2=C(C=CC=C2)N(C1=O)C PH009988 [1,1,0,0,0,0|2,0,0]=4 60 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C12 CBR00312 [1,1,0,0,0,0|1,0,1]=4 61 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O TMT00237 [1,1,0,0,0,0|2,0,0]=4 62 B14R2.8188 O=C1OC2=C(C=CC=C2)C(=C1Br)O PH011265 [1,1,0,0,0,0|2,0,0]=4 63 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 CDS019918 [1,1,0,0,0,0|1,0,1]=4 64 B14R2.8239 O=C1NC2=C(C=C(C=C2)Cl)NC1=O PH003527 [1,1,0,0,0,0|1,0,1]=4 65 B14R2.1801 COC1=CC2=C(C=C1)C(=CC=C2)N T153451 [1,1,0,0,0,0|2,0,0]=4 66 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Br)Cl BBO000625 [1,1,0,0,0,0|1,0,1]=4 67 B14R2.8038 FC1=C2N=CC(=C(C2=CC=C1)Cl)Cl BBO000616 [1,1,0,0,0,0|1,0,1]=4 68 B14R2.8038 OC1=C(C=NC2=C(C=CC=C12)F)Br BBO000327 [1,1,0,0,0,0|1,0,1]=4 69 B14R2.2151 CC1=C(NC2=C(C=CC=C12)Cl)C=O CBR01909 [0,1,0,0,1,0|1,1,0]=4 70 B14R2.8620 CC1=CC=C(C2=C1NC(=O)C2=O)C S17567 [0,1,0,0,1,0|1,0,1]=4 71 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(=C1)Br TMT00014 [0,1,0,0,1,0|1,0,1]=4 72 B14R2.9184 CC1=CC(=C2NC(=O)C(=O)C2=C1)Br OTV000673 [0,1,0,0,1,0|0,1,1]=4 73 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O R162574 [0,1,0,0,1,0|1,0,1]=4 74 B14R2.4529 CC1=CC2=C(C=C1)OC(=C2)C(=O)O CDS008857 [0,0,1,1,0,0|2,0,0]=4 75 B14R2.4529 NC1=CC=C2OC(=CC2=C1)C(=O)O CDS023605 [0,0,1,1,0,0|2,0,0]=4 76 B14R2.4529 O=C(O)C1=CC2=C(O1)C=CC(=C2)Br PH006864 [0,0,1,1,0,0|1,1,0]=4 77 B14R2.4529 O=C([O-])C1=CC2=C(O1)C=CC(=C2)Br R407798 [0,0,1,1,0,0|1,1,0]=4 78 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 OTV000480 [1,0,0,0,1,0|2,0,0]=4 79 B12R2.202 O=C1C=C2C(=CC=CC2=N1)F CDS021261 [1,0,0,0,1,0|2,0,0]=4 80 B12R2.202 O=C1CC2=C(N1)C(=CC=C2)I PH016779 [1,0,0,0,1,0|0,1,1]=4 81 B12R2.202 O=C1NC2=C(S1)C=CC=C2Cl R587559 [1,0,0,0,1,0|1,1,0]=4 82 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [1,0,0,0,1,0|1,0,1]=4 83 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,0,0,0,1,0|1,0,1]=4 85 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,0,1,0|0,0,1]=3 87 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [1,0,0,0,1,0|1,1,0]=4 88 B12R2.196 FC1=C2NN=C(C2=CC=C1)Br CDS023948 [1,0,0,0,1,0|2,0,0]=4