0 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PH011379 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl S361658 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)O)Br)C PH018852 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.450 CCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344397 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.450 CCOC(=O)C1=CC(=NC(=C1)C)Cl JRD0891 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)N)N ANV00089 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)I)N)I R157279 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.5924 O=C(NCCO)C1=CC(=C(C(=C1)O)O)O S565938 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.9719 CCOC(=O)C1=CC(=C(C(=C1O)Br)O)Br S96920 [0,1,0,0,0,0|2,0,0]=3 12 B15R1.28954 CC(C)OC(=O)C1=CC(=C(C(=C1)O)O)O R579890 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl S746266 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [2,0,0,0,0,0|0,0,0]=2 35 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [2,0,0,0,0,0|0,0,1]=3 48 B14R1.923 O=C(NCCO)C1=CC(=CC(=C1)O)O R415391 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.18985 CCOC(=O)C1=C(C(=CC(=C1)C)C)O S240478 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Br)Br PH000440 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010912 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [1,1,0,0,0,0|0,0,0]=2 53 B14R1.685 CC(C)CC(=O)C1=CC=C(C(=C1)O)O PH008907 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.941 CCCOC(=O)C1=CC=C(C(=C1)Cl)O PH010226 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.1003 CCC(C)C(=O)C1=CC=C(C(=C1)O)O PH008914 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.7264 CCCC(=O)C1=CC(=C(C=C1O)O)O T308293 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.7264 CCOC(=O)C1=CC(=C(C=C1N)Cl)Cl CDS023293 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.7265 CCOC(=O)C1=CC=C(C(=C1O)C)O S940968 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.12512 COC(=O)C1=CC(=C(C(=C1)O)OC)O PH005039 [1,1,0,0,0,0|0,0,0]=2 60 B16R1.3548 CCCCOC(=O)C1=CC(=C(C(=C1)I)O)I S406961 [0,2,0,0,0,0|2,0,0]=4 61 B16R1.3548 CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O S764868 [0,2,0,0,0,0|0,0,0]=2 62 B16R1.64535 CCOC(=O)C1=CC(=C(C(=C1)CO)O)CO PH007310 [0,2,0,0,0,0|0,0,0]=2 63 B16R2.29806 CCOC(=O)C1=CC(=C2C=COC2=C1)O PH018646 [0,1,0,1,0,0|1,0,0]=3 64 B16R2.29806 CCOC(=O)C1=CC2=C(C=CS2)C(=C1)O PH015327 [0,1,0,1,0,0|1,1,0]=4 65 B16R2.29806 CCOC(=O)C1=CC2=C(OC=C2)C(=C1)O PH015335 [0,1,0,1,0,0|1,0,0]=3 66 B16R2.29806 CCOC(=O)C1=CC2=C(SC=C2)C(=C1)O PH015084 [0,1,0,1,0,0|1,1,0]=4 67 B12R1.362 COC(=O)C1=C(C(=C(S1)C)O)O PH001488 [1,0,0,0,1,0|2,0,0]=4 68 B14R1.952 CCOC(=O)CC1=CC(=CC(=C1)C)C PH016257 [1,0,0,0,0,1|2,0,0]=4 69 B14R1.952 CCOC(=O)OC1=CC(=CC(=C1)C)C S671126 [1,0,0,0,0,1|2,0,0]=4 70 B14R1.967 CCOC(=O)NC1=CC(=C(C=C1)Cl)Cl S634433 [1,0,0,0,0,1|2,0,0]=4 71 B14R1.967 CCOC(=O)NC1=CC=C(C(=C1)Cl)C S625116 [1,0,0,0,0,1|2,0,0]=4 72 B16R1.1520 CCOC(=O)CCC1=CC(=C(C(=C1)N)O)N S647624 [0,0,0,0,0,2|2,0,0]=4 73 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)Br CDS016414 [3,0,0,0,0,0|1,0,0]=4 74 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [3,0,0,0,0,0|1,0,0]=4 75 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [3,0,0,0,0,0|1,0,0]=4 76 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [3,0,0,0,0,0|1,0,0]=4 77 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [3,0,0,0,0,0|0,0,0]=3 78 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [3,0,0,0,0,0|1,0,0]=4 79 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [3,0,0,0,0,0|1,0,0]=4 80 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [3,0,0,0,0,0|1,0,0]=4 81 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [3,0,0,0,0,0|1,0,0]=4 82 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [3,0,0,0,0,0|1,0,0]=4 83 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [3,0,0,0,0,0|1,0,0]=4 84 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [3,0,0,0,0,0|1,0,0]=4 85 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [3,0,0,0,0,0|1,0,0]=4 86 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [3,0,0,0,0,0|0,0,0]=3 87 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [3,0,0,0,0,0|1,0,0]=4 88 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [3,0,0,0,0,0|1,0,0]=4 89 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [2,1,0,0,0,0|1,0,0]=4 90 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [2,1,0,0,0,0|1,0,0]=4 91 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [2,1,0,0,0,0|1,0,0]=4 92 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [2,1,0,0,0,0|1,0,0]=4 93 B13R1.460 CCCC(=O)C1=CC=CC(=C1)OC PH010216 [2,1,0,0,0,0|1,0,0]=4 94 B13R1.460 CCOC(=O)C1=CC=CC(=C1)NN CBR00739 [2,1,0,0,0,0|1,0,0]=4 95 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC TMT00631 [2,1,0,0,0,0|0,0,0]=3 96 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)O R751758 [2,1,0,0,0,0|1,0,0]=4 97 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CDS000361 [2,1,0,0,0,0|0,0,0]=3 98 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [2,1,0,0,0,0|1,0,0]=4 99 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [2,1,0,0,0,0|1,0,0]=4 100 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr CDS001471 [2,1,0,0,0,0|1,0,0]=4 101 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN CDS011342 [2,1,0,0,0,0|1,0,0]=4 102 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PH011191 [2,1,0,0,0,0|1,0,0]=4 103 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [2,1,0,0,0,0|1,0,0]=4 104 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [2,1,0,0,0,0|1,0,0]=4 105 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O S947784 [2,1,0,0,0,0|0,0,0]=3 106 B13R1.49 CCC(=O)C1=CC=C(C(=C1)CCl)O S218766 [2,1,0,0,0,0|1,0,0]=4 107 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [2,1,0,0,0,0|1,0,0]=4 108 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [2,1,0,0,0,0|1,0,0]=4 109 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [2,1,0,0,0,0|1,0,0]=4 110 B13R1.49 COC1=C(C=CC(=C1)C(=O)CO)O PH009027 [2,1,0,0,0,0|1,0,0]=4 111 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [2,1,0,0,0,0|1,0,0]=4 112 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O R156752 [2,1,0,0,0,0|1,0,0]=4 113 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O S463744 [2,1,0,0,0,0|1,0,0]=4 114 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [2,1,0,0,0,0|1,0,0]=4 115 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [2,1,0,0,0,0|1,0,0]=4 116 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [2,1,0,0,0,0|1,0,0]=4 117 B13R1.298 COC1=C(C(=CC(=C1)C(=O)C)O)O PH004048 [2,1,0,0,0,0|0,0,0]=3 118 B13R1.298 COC1=CC(=CC(=C1O)Br)C(=O)O L170933 [2,1,0,0,0,0|1,0,0]=4 119 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CDS003720 [2,1,0,0,0,0|0,0,0]=3 120 B15R1.771 CCCC(=O)C1=CC(=CC(=C1)OC)OC PH008301 [1,2,0,0,0,0|1,0,0]=4 121 B15R1.5450 CC(C)NCC(=O)C1=CC(=CC(=C1)O)O S879711 [1,2,0,0,0,0|1,0,0]=4 122 B15R1.815 CCOC(=O)C1=CC=C(C(=C1)OC)OC PH015326 [1,2,0,0,0,0|0,0,0]=3 123 B15R1.9230 C=CCC1=CC(=CC=C1O)C(=O)OCC PH008901 [1,2,0,0,0,0|1,0,0]=4 124 B15R1.9230 CCCC1=CC(=CC=C1O)C(=O)OCC PH008867 [1,2,0,0,0,0|1,0,0]=4 125 B15R1.9230 CCOC(=O)C1=CC=C(C(=C1)OCC)N OTV000744 [1,2,0,0,0,0|1,0,0]=4 126 B15R1.10560 CCOC(=O)C1=CC=C(C(=C1C)CC)O PH008928 [1,2,0,0,0,0|1,0,0]=4 127 B15R1.889 CC(C)NCC(=O)C1=CC=C(C(=C1)O)O S346322 [1,2,0,0,0,0|1,0,0]=4 128 B15R1.383 COC(=O)C1=CC(=C(C(=C1)OC)C)OC PH009819 [1,2,0,0,0,0|1,0,0]=4 129 B15R1.383 COC(=O)C1=CC(=C(C(=C1)OC)O)OC S409448 [1,2,0,0,0,0|0,0,0]=3 130 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O PH010225 [2,0,0,1,0,0|1,0,0]=4 131 B15R1.10390 CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O CDS000693 [0,0,1,1,0,1|1,0,0]=4 132 B17R2.326088 CCOC(=O)C1=CC(=C2C=C(OC2=C1)C)O PH018822 [0,2,0,1,0,0|1,0,0]=4 133 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [2,0,0,0,0,1|1,0,0]=4 134 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [2,0,0,0,0,1|1,0,0]=4 135 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [2,0,0,0,0,1|1,0,0]=4 136 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl S668745 [2,0,0,0,0,1|1,0,0]=4 137 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PH009742 [2,0,0,0,0,1|1,0,0]=4 138 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [2,0,0,0,0,1|0,0,0]=3 139 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br S666599 [2,0,0,0,0,1|1,0,0]=4 140 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)C S643963 [2,0,0,0,0,1|1,0,0]=4 141 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl S361577 [2,0,0,0,0,1|1,0,0]=4 142 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N CBR00185 [2,0,0,0,0,1|1,0,0]=4 143 B13R1.19 CCOC(=O)OC1=CC=C(C=C1)Cl PH008708 [2,0,0,0,0,1|1,0,0]=4