0 B13R1.433 COC1=CC(=C(C(=C1)OC)Br)OC PH011157 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.433 COC1=CC(=C(C(=C1)OC)Cl)OC S540455 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.433 COC1=CC(=C(C(=C1)OC)O)OC PH014572 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.433 COC1=CC(=CC(=C1Br)OC)C=O CDS000211 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.58 COC1=CC(=CC(=C1)CBr)CBr S323055 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.58 COC1=CC(=CC(=C1)CCl)CCl S339326 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.300 CSC1=CC(=C(C(=C1)CO)O)C S533793 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)N PH010644 [0,1,0,0,0,0|2,0,1]=4 10 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)O PH011462 [0,1,0,0,0,0|2,0,1]=4 11 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)N S355542 [0,1,0,0,0,0|1,0,1]=3 12 B14R1.362 COC1=CC(=CC(=C1O)OC)[N+](=O)[O-] PH007916 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.3236 COC1=CC(=CC(=C1O)OC)/C=N/O PH010672 [0,1,0,0,0,0|1,0,1]=3 14 B14R1.3236 COC1=CC(=CC(=C1O)OC)CC#N PH010977 [0,1,0,0,0,0|0,0,1]=2 15 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN CDS004542 [0,1,0,0,0,0|0,0,0]=1 16 B14R1.3236 COC1=CC(=CC(=C1O)OC)CCN PH019067 [0,1,0,0,0,0|0,0,0]=1 17 B14R2.1101 COC1=C2OCOC2=CC(=C1)CCl PH015292 [0,0,0,1,0,0|1,0,0]=2 18 B14R2.1101 COC1=C2OCOC2=CC(=C1)CO PH015536 [0,0,0,1,0,0|1,0,0]=2 19 B14R2.1101 COC1=CC(=CC2=C1OCO2)C=O CDS014281 [0,0,0,1,0,0|1,0,1]=3 20 B14R2.1101 COC1=CC(=CC2=C1OCO2)CN PH015673 [0,0,0,1,0,0|1,0,0]=2 21 B11R1.9 CCC1=CC(=CC(=[O+]1)CC)C R253030 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.9 COC1=CC(=CC(=C1)CN)F CDS014667 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.9 COC1=CC(=CC(=C1)OC)[O-] S860948 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.8 CC1=CC(=C(C(=C1)C=O)O)C CDS009678 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.8 COC1=C(C(=CC(=C1)O)Br)O R227900 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.14 CC1=CC(=CC(=C1O)C)N=O S449989 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C OTV000869 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.358 CNCC1=CC(=CC(=C1)OC)OC PH015526 [1,1,0,0,0,0|0,0,0]=2 32 B13R1.358 COC1=CC(=CC(=C1)OC)N=C=S CDS016945 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.302 COC1=CC(=CC(=C1C=O)OC)C PH010583 [1,1,0,0,0,0|0,0,1]=3 34 B13R1.298 COC1=C(C(=CC(=C1)C(=O)C)O)O PH004048 [1,1,0,0,0,0|0,0,1]=3 35 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CDS003720 [1,1,0,0,0,0|1,0,1]=4 36 B13R1.425 COC1=CC(=C(C(=C1Br)C)Br)OC PH003270 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.434 COC1=CC(=CC(=C1OC)Br)CO PH000160 [1,1,0,0,0,0|2,0,0]=4 38 B15R1.378 COC1=CC(=CC(=C1OC)OC)[N+](=O)[O-] S846643 [0,2,0,0,0,0|2,0,0]=4 39 B15R1.383 COC(=O)C1=CC(=C(C(=C1)OC)C)OC PH009819 [0,2,0,0,0,0|1,0,1]=4 40 B15R1.383 COC(=O)C1=CC(=C(C(=C1)OC)O)OC S409448 [0,2,0,0,0,0|0,0,1]=3 41 B15R1.383 COC1=CC(=CC(=C1O)OC)C(=O)NN PH011601 [0,2,0,0,0,0|1,0,1]=4 42 B15R1.10097 COC1=CC(=C(C(=C1C)OC)C=O)OC PH014331 [0,2,0,0,0,0|1,0,1]=4 43 B15R1.3705 C/N=C/C1=CC(=C(C(=C1)OC)OC)OC S683167 [0,2,0,0,0,0|0,0,1]=3 44 B15R1.3705 CNCC1=CC(=C(C(=C1)OC)OC)OC PH016713 [0,2,0,0,0,0|0,0,0]=2 45 B15R1.3705 COC1=CC(=CC(=C1OC)OC)/C=N/O PH011616 [0,2,0,0,0,0|1,0,1]=4 46 B15R1.10175 COC1=CC(=C(C(=C1)OC)C(=O)O)OC S446246 [0,2,0,0,0,0|1,0,0]=3 47 B15R1.10175 COC1=CC(=C(C(=C1)OC)C(C)O)OC PH014706 [0,2,0,0,0,0|1,0,0]=3 48 B15R1.10175 COC1=CC(=C(C(=C1)OC)[N+](=O)[O-])OC PH000055 [0,2,0,0,0,0|1,0,1]=4 49 B15R1.390 C(=O)C1=CC(=CC(=C1O)OC)CN(C)C CDS014364 [0,2,0,0,0,0|2,0,0]=4 50 B15R1.390 COC1=CC(=CC(=C1O)OC)CN(C)C PH009594 [0,2,0,0,0,0|0,0,0]=2 51 B13R2.623 COC1=CC(=CC2=C1OCO2)N PH015822 [1,0,0,1,0,0|1,0,0]=3 52 B15R2.22662 COC1=CC(=CC2=C1OCO2)C(=O)O PH015670 [0,1,0,1,0,0|1,0,1]=4 53 B15R2.1851 COC1=CC(=CC2=C1OCCO2)CN PH019437 [0,1,0,1,0,0|1,0,0]=3 54 B15R2.1851 COC1=CC(=CC2=C1OCCO2)CO PH014848 [0,1,0,1,0,0|1,0,0]=3 55 B13R1.2200 COC1=CC(=C(C=C1Br)OC)OC S846376 [0,0,0,0,1,1|2,0,0]=4 56 B13R1.2200 COC1=CC(=C(N=C1OC)OC)O ADE001448 [0,0,0,0,1,1|2,0,0]=4 57 B13R1.2422 C(=O)C1=CC=C(C(=C1OC)O)OC S429538 [0,0,0,0,1,1|1,0,1]=4 58 B13R1.2422 COC1=C(C(=C(C=C1)CO)OC)C R751367 [0,0,0,0,1,1|2,0,0]=4