0 B14R2.92 COC1=C(C2=C(C=C1)C=NC=C2)Br PH018816 [1,0,0,0,0,0|3,0,0]=4 1 B14R2.92 COC1=C(C2=C(C=CC=C2)C=C1)I R268720 [1,0,0,0,0,0|2,0,0]=3 2 B14R2.92 COC1=CN=C2C=CC=NC2=C1I ADE000869 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.92 O=CC1=C(C2=NC=CC=C2C=C1)O CDS023260 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.92 O=CC1=CC=C2C=CC=CC2=C1O CDS000044 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 IDF00007 [1,0,0,0,0,0|0,0,2]=3 6 B14R2.134 COC1=CC=C2C=CC(=NC2=C1)C BBO000218 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.134 COC1=CC=C2N=CC(=CC2=C1)N BBO000579 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 JRD0383 [1,0,0,0,0,0|2,0,1]=4 9 B14R1.3653 COC1=C(C=C(C=C1)/C=C/C(=O)O)C L134597 [0,0,1,0,0,0|1,0,0]=2 10 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br S102350 [0,0,1,0,0,0|1,0,2]=4 11 B14R1.3653 COC1=CC=C(C=C1C)CCC(=O)O S953792 [0,0,1,0,0,0|1,0,2]=4 12 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CDS006461 [0,0,1,0,0,0|0,0,2]=3 13 B14R1.3653 COC1=COC(=CC1=O)/C=C/C(=O)O T311863 [0,0,1,0,0,0|1,0,1]=3 14 B14R2.2495 COC1=C(C2=C(C=C1)CCC2=O)Br L168289 [0,0,0,0,1,0|1,0,2]=4 15 B13R1.641 C=C(C)CC1=CC=CC(=C1O)OC PH007147 [1,0,1,0,0,0|2,0,0]=4 16 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [1,0,1,0,0,0|0,0,0]=2 17 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [1,0,1,0,0,0|1,0,1]=4 18 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Br R436674 [1,0,1,0,0,0|2,0,0]=4 19 B13R1.2422 C(=O)C1=CC=C(C(=C1OC)O)OC S429538 [1,0,1,0,0,0|1,0,1]=4 20 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [2,0,0,0,0,0|2,0,0]=4 21 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [2,0,0,0,0,0|2,0,0]=4 22 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [2,0,0,0,0,0|2,0,0]=4 23 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [2,0,0,0,0,0|2,0,0]=4 24 B13R2.57 COC1=CN=C2C=CC=NC2=C1 ADE000867 [2,0,0,0,0,0|2,0,0]=4 25 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [2,0,0,0,0,0|1,0,0]=3 26 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [2,0,0,0,0,0|1,0,0]=3 27 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [2,0,0,0,0,0|2,0,0]=4 28 B15R1.1818 COC1=CC(=C(C=C1C)/C=C/C(=O)O)C R245313 [0,1,1,0,0,0|1,0,0]=3 29 B15R1.3779 COC(=O)CCC1=CC=C(C(=C1)O)OC CDS005498 [0,1,1,0,0,0|0,0,2]=4 30 B15R1.12854 COC1=C(C=C(C=C1)/C=C/C(=O)N)OC PH004133 [0,1,1,0,0,0|1,0,0]=3 31 B15R1.12854 COC1=C(C=C(C=C1)C#CC(=O)O)OC S291773 [0,1,1,0,0,0|0,0,2]=4 32 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/C(=O)C S594512 [0,1,1,0,0,0|1,0,0]=3 33 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/[N+](=O)[O-] S752215 [0,1,1,0,0,0|1,0,1]=4 34 B15R1.12854 COC1=CC=C(C=C1OC)SCC(=O)O PH011473 [0,1,1,0,0,0|1,0,1]=4 35 B15R2.2220 CCCC1=C(C2=NC=CC=C2C=C1)O CDS025258 [1,1,0,0,0,0|2,0,0]=4 36 B15R2.4778 COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br S323039 [1,1,0,0,0,0|2,0,0]=4 37 B15R2.21336 COC1=CC=C2C=C(C(=NC2=C1)Cl)C BBO000139 [1,1,0,0,0,0|2,0,0]=4 38 B15R2.21336 COC1=CC=C2C=C(C(=NC2=C1)N)C BBO000547 [1,1,0,0,0,0|2,0,0]=4 39 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=N2)C)O S512249 [1,1,0,0,0,0|2,0,0]=4 40 B15R2.89396 COC1=CC2=C(C=C1)C(=CC(=O)O2)C T340855 [1,1,0,0,0,0|0,0,0]=2 41 B15R2.89396 COC1=CC2=C(C=C1)C(=O)C=C(N2)C R261807 [1,1,0,0,0,0|2,0,0]=4 42 B15R2.89396 COC1=CC2=NC(=CC(=C2C=C1)Br)C BBO000282 [1,1,0,0,0,0|2,0,0]=4 43 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)Br)C BBO000656 [1,1,0,0,0,0|2,0,0]=4 44 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)C)Cl BBO000172 [1,1,0,0,0,0|2,0,0]=4 45 B15R2.89396 COC1=CC=C2C(=CC(=NC2=C1)C)N BBO000568 [1,1,0,0,0,0|2,0,0]=4 46 B15R2.89396 COC1=CC=C2C(=CC(=O)NC2=C1)O CVT00065 [1,1,0,0,0,0|1,0,0]=3 47 B15R2.89396 COC1=CC=C2C(=O)NC(=O)NC2=C1 PH010388 [1,1,0,0,0,0|2,0,0]=4 48 B15R2.4798 COC1=C(C2=C(C=C1)NC(=O)C2=O)Cl PH016908 [0,1,0,0,1,0|2,0,0]=4 49 B15R2.39258 COC1=CC(=C2CCC(=O)C2=C1O)Br T214779 [0,1,0,0,1,0|0,0,2]=4 50 B17R2.412884 COC1=C(C2=C(C=C1)C(=CC(=O)O2)C)OC TMT00410 [0,2,0,0,0,0|0,0,0]=2 51 B17R2.412884 COC1=C(C2=C(C=C1)C(=O)NC(=O)N2)OC PH003412 [0,2,0,0,0,0|2,0,0]=4 52 B15R2.7688 O=C(O)C=CC1=CC2=C(C=C1)CCC2 S434043 [0,0,1,1,0,0|2,0,0]=4 53 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 R173827 [0,0,1,1,0,0|1,0,1]=4 54 B15R2.7688 O=[N+]([O-])/C=C/C1=CC=C2OCOC2=C1 S352918 [0,0,1,1,0,0|1,0,1]=4 55 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O S106569 [0,0,1,0,1,0|1,0,1]=4 56 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [1,0,0,0,1,0|1,0,1]=4