0 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Br PH005212 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Cl PH000535 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br S82261 [0,0,0,0,0,0|4,0,0]=4 3 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N S520608 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.678 CC1=CC=C(C=C1)/C(=C\CC(=O)O)/C T195170 [0,0,0,0,0,0|3,0,0]=3 5 B14R1.678 CC1=CC=C(C=C1)C(=O)/C=C/C(=O)O JRD0202 [0,0,0,0,0,0|2,0,1]=3 6 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)N R548197 [0,0,0,0,0,0|2,0,0]=2 7 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(C)C R591424 [0,0,0,0,0,0|3,0,1]=4 8 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O T195227 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.678 CC1=CN=C(C=N1)C(=O)NCC(=O)O PH014836 [0,0,0,0,0,0|3,0,0]=3 10 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Br R169897 [0,0,0,0,0,0|2,0,0]=2 11 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Cl R648221 [0,0,0,0,0,0|2,0,0]=2 12 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N PH010085 [0,0,0,0,0,0|1,0,0]=1 13 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O PH002256 [0,0,0,0,0,0|1,0,0]=1 14 B14R1.678 O=C(NC=C(Cl)Cl)C1=CC=C(C=C1)Cl S49272 [0,0,0,0,0,0|3,0,1]=4 15 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)Br PH010535 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.678 O=C(O)/C=C/C(=O)C1=CC=C(C=C1)F JRD0699 [0,0,0,0,0,0|2,0,1]=3 17 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O T136271 [0,0,0,0,0,0|2,0,0]=2 18 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br R169889 [0,0,0,0,0,0|1,0,0]=1 19 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl S658049 [0,0,0,0,0,0|1,0,0]=1 20 B14R1.678 O=C(O)CSC(=S)C1=CC=C(C=C1)O PH007939 [0,0,0,0,0,0|2,1,0]=3 21 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)I CDS023358 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.17 C=CCNC(=O)C1=CN=C(C=C1)Cl EME00417 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)Cl R462950 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)F VBP00078 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.17 N#CCNC(=O)C1=CC=C(C=C1)Cl R462977 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CDS000361 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.17 OCCNC(=S)C1=CC=C(C=C1)Br T149160 [1,0,0,0,0,0|1,1,1]=4 28 B13R1.45 C(=C/C(=O)C1=CC=CC=C1)\C(=O)O R152099 [1,0,0,0,0,0|1,0,1]=3 29 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [1,0,0,0,0,0|2,0,0]=3 30 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [1,0,0,0,0,0|2,0,0]=3 31 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=N1 R160326 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 PH007103 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [1,0,0,0,0,0|2,0,1]=4 35 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [1,0,0,0,0,0|3,0,0]=4 37 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [1,0,0,0,0,0|1,0,0]=2 38 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 PH010689 [1,0,0,0,0,0|1,1,0]=3 39 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [1,0,0,0,0,0|2,1,0]=4 40 B13R1.45 NC(=S)NNC(=O)C1=CC=CC=C1 S511862 [1,0,0,0,0,0|2,1,0]=4 41 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [1,0,0,0,0,0|1,0,0]=2 42 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 R738832 [1,0,0,0,0,0|2,0,0]=3 43 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [1,0,0,0,0,0|2,0,1]=4 44 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [1,0,0,0,0,0|2,0,1]=4 45 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [1,0,0,0,0,0|2,0,1]=4 46 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [1,0,0,0,0,0|2,0,1]=4 47 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [1,0,0,0,0,0|3,0,0]=4 48 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [1,0,0,0,0,0|3,0,0]=4 49 B15R1.5 CCC1=CC=C(C=C1)C(=O)CCC(=O)O PH011458 [0,1,0,0,0,0|2,0,0]=3 50 B15R1.5 CSC1=CC=C(C=C1)C(=O)CCC(=O)O JRD0829 [0,1,0,0,0,0|2,0,0]=3 51 B15R1.132 CNC(=O)NNC(=O)C1=CC=C(C=C1)C S700711 [0,1,0,0,0,0|3,0,0]=4 52 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)Br R944742 [0,1,0,0,0,0|2,0,0]=3 53 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)C R944726 [0,1,0,0,0,0|2,0,0]=3 54 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)Cl JRD0348 [0,1,0,0,0,0|2,0,0]=3 55 B15R1.132 COC(=O)CCC(=O)C1=CC=C(C=C1)F R944734 [0,1,0,0,0,0|2,0,0]=3 56 B15R1.132 COC(=O)CNC(=O)C1=CC=C(C=C1)N CDS020835 [0,1,0,0,0,0|0,0,0]=1 57 B15R1.132 NC1=CC=C(C=C1)C(=O)OCC(O)CO PH011337 [0,1,0,0,0,0|1,0,2]=4 58 B15R1.132 NNC(=O)CNC(=O)C1=CC=C(C=C1)Br R169900 [0,1,0,0,0,0|2,0,0]=3 59 B15R1.880 CC(CC(=O)O)C(=O)C1=CC=C(C=C1)Cl PH011094 [0,1,0,0,0,0|2,0,0]=3 60 B15R1.880 O=C(O)CC(Br)C(=O)C1=CC=C(C=C1)F PH005192 [0,1,0,0,0,0|2,0,0]=3 61 B15R1.881 C[C@@H](NC(=O)C1=CC=C(C=C1)Cl)C(=O)O PH010774 [0,1,0,0,0,0|1,0,0]=2 62 B15R1.889 CC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl PH010432 [0,1,0,0,0,0|2,0,0]=3 63 B15R1.889 CC1=CC=C(C=C1C)C(=O)NCC(=O)O PH006908 [0,1,0,0,0,0|1,0,0]=2 64 B15R1.889 O=C(O)/C=C/C(=O)C1=CC(=C(C=C1)Cl)Cl L306835 [0,1,0,0,0,0|2,0,1]=4 65 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O S195006 [0,1,0,0,0,0|3,0,0]=4 66 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O S271373 [0,1,0,0,0,0|3,0,0]=4 67 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N PH000314 [0,1,0,0,0,0|3,0,0]=4 68 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O R993182 [0,1,0,0,0,0|2,0,0]=3 69 B15R1.903 CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O PH010932 [0,1,0,0,0,0|3,0,0]=4 70 B15R1.903 NC(=O)CNS(=O)(=O)C1=CC=C(C=C1)N L100838 [0,1,0,0,0,0|2,0,0]=3 71 B15R1.903 NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O PH011545 [0,1,0,0,0,0|1,0,0]=2 72 B15R1.903 O=C(O)CNS(=O)(=O)C1=CC=C(C=C1)Cl R992984 [0,1,0,0,0,0|2,0,0]=3 73 B15R1.5822 CC1=CC(=C(C=C1)C(=O)/C=C/C(=O)O)C PH010534 [0,1,0,0,0,0|2,0,1]=4 74 B15R1.5822 CC1=CC(=C(C=C1)C(=O)CCC(=O)O)O L497967 [0,1,0,0,0,0|2,0,0]=3 75 B15R1.5822 CC1=CC=C(C(=C1)C)C(=O)CCC(=O)O S346810 [0,1,0,0,0,0|2,0,0]=3 76 B15R1.5822 O=C(O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl OTV000038 [0,1,0,0,0,0|1,0,0]=2 77 B13R1.129 CC1=CC(=NO1)C(=O)NCC(=O)O PH017371 [0,0,0,0,1,0|3,0,0]=4 78 B13R1.129 O=C(O)CCC(=O)C1=CC=C(S1)Br PH010989 [0,0,0,0,1,0|3,0,0]=4 79 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,0,0,0,1,0|2,0,0]=3 80 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,0,0,0,1,0|2,0,0]=3 81 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N CBR01240 [0,0,0,0,1,0|2,0,1]=4 82 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,0,0,0,1,0|2,0,1]=4 83 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,0,0,0,1,0|2,0,1]=4 84 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,0,0,0,1,0|2,0,1]=4 85 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [0,0,0,0,1,0|2,0,1]=4 86 B13R1.132 CC1=CC=C(C=C1)/C(=C/C(=O)O)/C L128317 [0,0,0,0,1,0|2,0,1]=4 87 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,0,0,0,1,0|2,0,1]=4 88 B13R1.132 NC(=O)NC(=O)C1=CC=C(C=C1)N PH007186 [0,0,0,0,1,0|1,0,0]=2 89 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [0,0,0,0,1,0|2,0,1]=4 90 B15R1.111 CC1=CC=C(C=C1)NC(=O)C=CC(=O)O S393800 [0,0,0,0,0,1|2,0,1]=4 91 B15R1.111 NC(=O)CNC(=O)NC1=CC=C(C=C1)Cl R714801 [0,0,0,0,0,1|2,0,0]=3 92 B15R1.111 O=C(O)/C=C/C(=O)NC1=CC=C(C=C1)Br S695440 [0,0,0,0,0,1|2,0,1]=4 93 B15R1.111 O=C(O)/C=C/C(=O)NC1=CC=C(C=C1)F S692905 [0,0,0,0,0,1|2,0,1]=4 94 B15R1.111 O=C(O)/C=C/C(=O)NC1=CC=C(C=C1)I S542806 [0,0,0,0,0,1|2,0,1]=4 95 B15R1.111 O=C(O)C=CC(=O)NC1=CC=C(C=C1)Cl S393843 [0,0,0,0,0,1|2,0,1]=4 96 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)Br S704431 [0,0,0,0,0,1|2,0,0]=3 97 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)F S702811 [0,0,0,0,0,1|2,0,0]=3 98 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)I S719420 [0,0,0,0,0,1|2,0,0]=3 99 B15R1.111 O=C(O)CCC(=O)NC1=CC=C(C=C1)O OTV000102 [0,0,0,0,0,1|2,0,0]=3 100 B15R1.882 O=C(O)CCCC(=O)C1=CC=C(C=C1)F R169609 [0,0,0,0,0,1|2,0,0]=3 101 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [2,0,0,0,0,0|1,0,1]=4 102 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [2,0,0,0,0,0|1,0,1]=4 103 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [2,0,0,0,0,0|0,0,1]=3 104 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [2,0,0,0,0,0|1,0,1]=4 105 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [2,0,0,0,0,0|1,0,0]=3 106 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [2,0,0,0,0,0|2,0,0]=4 108 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [2,0,0,0,0,0|1,0,1]=4 109 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [2,0,0,0,0,0|1,0,1]=4 110 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [2,0,0,0,0,0|1,0,1]=4 111 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [2,0,0,0,0,0|0,0,1]=3 112 B12R1.30 O=C(NCCO)C1=CN=CC=C1 EME00383 [2,0,0,0,0,0|1,0,1]=4 113 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [2,0,0,0,0,0|0,1,1]=4 114 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [2,0,0,0,0,0|2,0,0]=4 115 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [2,0,0,0,0,0|2,0,0]=4 116 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [2,0,0,0,0,0|2,0,0]=4 117 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [2,0,0,0,0,0|1,0,1]=4 118 B14R1.125 NC1=CC=C(C=C1)S(=O)(=O)NCCO S671754 [1,1,0,0,0,0|1,0,1]=4 119 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCO R644366 [1,1,0,0,0,0|1,0,1]=4 120 B14R1.149 O=C(O)CCC(=O)C1=CC(=CC=C1)F PH009958 [1,1,0,0,0,0|1,0,0]=3 121 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(=C1)O PH007900 [1,1,0,0,0,0|1,0,0]=3 122 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Cl R537748 [1,1,0,0,0,0|0,0,0]=2 123 B14R1.160 CC(=O)NNC(=O)C1=CC=CC=C1N R590290 [1,1,0,0,0,0|2,0,0]=4 124 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)N L130575 [1,1,0,0,0,0|1,0,0]=3 125 B14R1.160 NC(=O)CNC(=O)C1=C(C=CC=C1)Cl L131350 [1,1,0,0,0,0|1,0,0]=3 126 B14R1.160 NC1=C(C=CC=C1)C(=O)NCC(=O)O PH010483 [1,1,0,0,0,0|0,0,0]=2 127 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl S676950 [1,1,0,0,0,0|0,0,0]=2 128 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S323772 [1,1,0,0,0,0|2,0,0]=4 129 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S327441 [1,1,0,0,0,0|2,0,0]=4 130 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 S750115 [1,1,0,0,0,0|0,0,0]=2 131 B14R1.163 COC(=O)CNC(C)C1=CC=CC=C1 S448311 [1,1,0,0,0,0|1,0,1]=4 132 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S560014 [1,1,0,0,0,0|0,0,0]=2 133 B14R1.415 CC(NC(=O)C1=CC=CN=C1)C(=O)O R439096 [1,1,0,0,0,0|1,0,0]=3 134 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O S802816 [1,1,0,0,0,0|1,0,0]=3 135 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S451797 [1,1,0,0,0,0|0,0,0]=2 136 B14R1.415 [C@H](C)(NC(=O)C1=CC=CC=C1)C(=O)O S455067 [1,1,0,0,0,0|0,0,0]=2 137 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 S117668 [1,1,0,0,0,0|0,0,0]=2 138 B14R1.417 O=C(O)CC(Br)C(=O)C1=CC=CC=C1 PH005112 [1,1,0,0,0,0|1,0,0]=3 139 B14R1.540 O=C(O)CC/C(=N\O)/C1=CC=CC=C1 PH003476 [1,1,0,0,0,0|1,0,1]=4 140 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 OTV000052 [1,1,0,0,0,0|1,0,0]=3 141 B14R1.3098 O=C(NCP(=O)([O-])O)C1=CN=CC=C1 S423939 [1,1,0,0,0,0|2,0,0]=4 142 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N CDS021206 [1,1,0,0,0,0|2,0,0]=4 143 B14R1.698 C/C(=C\C1=CC=C(C=C1)Cl)/CC(=O)O L128996 [1,1,0,0,0,0|2,0,0]=4 144 B14R1.685 CC(=O)CC(=O)C1=CC(=C(C=C1)C)C PH011723 [0,1,0,0,1,0|2,0,0]=4 145 B14R1.685 CC(=O)CC(=O)C1=CC=C(C(=C1)Cl)Cl PH002890 [0,1,0,0,1,0|2,0,0]=4 146 B14R1.694 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O PH010925 [0,1,0,0,1,0|2,0,0]=4 147 B14R1.694 NC(=O)CS(=O)(=O)C1=CC=C(C=C1)N R993239 [0,1,0,0,1,0|2,0,0]=4 148 B14R1.694 NC(=O)NS(=O)(=O)C1=CC=C(C=C1)N S441104 [0,1,0,0,1,0|2,0,0]=4 149 B14R1.6048 CC(=O)CC(=O)C1=C(C=C(C=C1)C)O S808873 [0,1,0,0,1,0|2,0,0]=4 150 B16R1.4 CCC1=CC=C(C=C1)NC(=O)CCC(=O)O S702803 [0,1,0,0,0,1|2,0,0]=4 151 B16R1.4 COC1=CC=C(C=C1)NC(=O)CCC(=O)O S701025 [0,1,0,0,0,1|2,0,0]=4 152 B16R1.4 CSC1=CC=C(C=C1)NC(=O)CCC(=O)O S953741 [0,1,0,0,0,1|2,0,0]=4 153 B16R1.1036 CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)C S703184 [0,1,0,0,0,1|2,0,0]=4 154 B16R1.1036 CC1=C(C=C(C=C1)NC(=O)CCC(=O)O)F R944513 [0,1,0,0,0,1|2,0,0]=4 155 B16R1.1036 CC1=CC(=CC=C1Br)NC(=O)CCC(=O)O S921831 [0,1,0,0,0,1|2,0,0]=4 156 B16R1.1036 CC1=CC=C(C=C1Cl)NC(=O)CCC(=O)O S878030 [0,1,0,0,0,1|2,0,0]=4 157 B16R1.1036 NC(=O)CNC(=O)NC1=CC=C(C(=C1)Cl)Cl R676632 [0,1,0,0,0,1|2,0,0]=4 158 B16R1.1036 O=C(O)CCC(=O)NC1=CC(=C(C=C1)Cl)Cl S703753 [0,1,0,0,0,1|2,0,0]=4 159 B16R1.1036 O=C(O)CCC(=O)NC1=CC(=C(C=C1)F)F L130052 [0,1,0,0,0,1|2,0,0]=4 160 B16R1.1147 COC(=O)CNC(=O)CC1=CC=C(C=C1)N CDS021039 [0,1,0,0,0,1|0,0,0]=2 161 B16R1.11390 CC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)O S746517 [0,1,0,0,0,1|2,0,0]=4 162 B16R1.11390 CC1=CC(=C(C=C1)NC(=O)CCC(=O)O)C S701149 [0,1,0,0,0,1|2,0,0]=4 163 B16R1.11390 O=C(O)CCC(=O)NC1=C(C=C(C=C1)Br)F R944521 [0,1,0,0,0,1|2,0,0]=4 164 B16R1.11390 O=C(O)CCC(=O)NC1=C(C=C(C=C1)Cl)Cl S703761 [0,1,0,0,0,1|2,0,0]=4 165 B16R1.11390 O=C(O)CCC(=O)NC1=C(C=C(C=C1)F)F R282499 [0,1,0,0,0,1|2,0,0]=4 166 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(C=C1Cl)Br S921750 [0,1,0,0,0,1|2,0,0]=4 167 B16R1.214 COC1=CC=C(C=C1)C(=O)CCCC(=O)O S303186 [0,1,0,0,0,1|2,0,0]=4 168 B16R1.1142 COC(=O)CCNC(=O)C1=CC=C(C=C1)N CDS021147 [0,1,0,0,0,1|0,0,0]=2 169 B16R1.15 CCOC1=CC=C(C=C1)C(=O)CCC(=O)O R734179 [0,2,0,0,0,0|2,0,0]=4 170 B16R1.215 COC(=O)CCC(=O)C1=CC=C(C=C1)OC JRD0515 [0,2,0,0,0,0|2,0,0]=4 171 B16R1.215 COC(=O)CCC(=O)C1=CC=C(C=C1)SC JRD0701 [0,2,0,0,0,0|2,0,0]=4 172 B16R1.4542 CN(C)C1=CC=C(C=C1)C(=O)NCC(=O)O PH017367 [0,2,0,0,0,0|0,0,0]=2 173 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C=C1)C T195200 [0,2,0,0,0,0|2,0,0]=4 174 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C=C1)Cl BBO000353 [0,2,0,0,0,0|2,0,0]=4 175 B16R1.58 CCOC(=O)CCC(=O)C1=CC=C(C=C1)F R945145 [0,2,0,0,0,0|2,0,0]=4 176 B16R1.58 CCOC(=O)CNC(=O)C1=CC=C(C=C1)C R129240 [0,2,0,0,0,0|1,0,0]=3 177 B16R1.58 CCOC(=O)CNC(=O)C1=CC=C(C=C1)Cl S903337 [0,2,0,0,0,0|1,0,0]=3 178 B16R1.1303 COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)Br EME00175 [0,2,0,0,0,0|2,0,0]=4 179 B16R1.1048 CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)O PH010831 [0,2,0,0,0,0|2,0,0]=4 180 B16R1.621 O=C(N[C@@H](CO)C(=O)O)C1=CC=C(C=C1)Cl R170119 [0,2,0,0,0,0|1,0,0]=3 181 B16R1.621 O=C(N[C@@H](CO)C(=O)O)C1=CC=C(C=C1)Cl R538302 [0,2,0,0,0,0|1,0,0]=3 182 B16R1.1049 CC(NS(=O)(=O)C1=CC=C(C=C1)Cl)C(=O)O R993107 [0,2,0,0,0,0|2,0,0]=4 183 B16R1.1049 CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)O CDS004033 [0,2,0,0,0,0|2,0,0]=4 184 B16R1.1063 CC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)Cl R992887 [0,2,0,0,0,0|2,0,0]=4 185 B16R1.44633 CC1=CC(=C(C(=C1)C)C(=O)CCC(=O)O)C R822388 [0,2,0,0,0,0|2,0,0]=4 186 B16R1.44633 CC1=CC(=C(C(=C1)C)C(=O)NCC(=O)O)C R464856 [0,2,0,0,0,0|1,0,0]=3 187 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 PH006911 [1,0,0,1,0,0|2,0,0]=4 188 B14R2.29365 O=C1NC(=O)C2=CC=C(C=C2N1)Cl T309141 [0,0,0,1,1,0|2,0,0]=4 189 B16R2.12021 CC1=CC=C2NC(=O)C(C2=C1)CC(=O)O CBR01145 [0,0,0,1,0,1|2,0,0]=4 190 B16R2.12099 NC1=CC2=C(C=C1)N=C(S2)SCC(=O)O R587176 [0,0,0,1,0,1|1,1,0]=4 191 B16R2.12099 NC1=CC2=C(C=C1)N=C(S2)SCC(=O)O R785997 [0,0,0,1,0,1|1,1,0]=4 192 B16R2.23502 O=C1CC(C2=CC(=CC=C2N1)F)C(=O)O CBR00360 [0,0,0,1,0,1|2,0,0]=4 193 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 R648248 [1,0,0,0,1,0|1,0,0]=3 194 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [1,0,0,0,1,0|1,0,1]=4 195 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,0,0,0,1,0|1,0,1]=4 196 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [1,0,0,0,1,0|2,0,0]=4 197 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [1,0,0,0,1,0|1,0,0]=3 198 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [1,0,0,0,1,0|2,0,0]=4 199 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [1,0,0,0,1,0|2,0,0]=4 200 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [1,0,0,0,1,0|0,0,1]=3 201 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [1,0,0,0,1,0|1,0,0]=3 202 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,0,0,0,2,0|1,0,1]=4 203 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)Br S710423 [1,0,0,0,0,1|2,0,0]=4 204 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)C S613177 [1,0,0,0,0,1|2,0,0]=4 205 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)Cl S591483 [1,0,0,0,0,1|2,0,0]=4 206 B14R1.33 C=CCNC(=O)NC1=CC=C(C=C1)F S636991 [1,0,0,0,0,1|2,0,0]=4 207 B14R1.33 CC1=CC=C(C=C1)OC(=O)NCCO R465992 [1,0,0,0,0,1|1,0,1]=4 208 B14R1.33 O=C(NCCO)NC1=CC=C(C=C1)Cl R468649 [1,0,0,0,0,1|1,0,1]=4 209 B14R1.420 O=C(O)CONC(=O)C1=CC=CC=C1 S388793 [1,0,0,0,0,1|0,0,0]=2 210 B14R1.423 CC(=O)NNC(=O)CC1=CC=CC=C1 S669989 [1,0,0,0,0,1|2,0,0]=4 211 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [1,0,0,0,0,1|1,0,1]=4 212 B14R1.423 O=C(O)/C=C\C(=O)NC1=CC=CC=C1 S364452 [1,0,0,0,0,1|1,0,1]=4 213 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 S700983 [1,0,0,0,0,1|1,0,0]=3 214 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=N1 S703036 [1,0,0,0,0,1|2,0,0]=4 215 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 S704881 [1,0,0,0,0,1|2,0,0]=4 216 B14R1.423 O=C(O)CCC(=O)OC1=CC=CC=C1 PH009559 [1,0,0,0,0,1|1,0,0]=3 217 B14R1.423 O=C(O)CCS(=O)CC1=CC=CC=C1 PH010240 [1,0,0,0,0,1|2,0,0]=4 218 B14R1.423 O=C(O)CNC(=S)NC1=CC=CC=C1 S409812 [1,0,0,0,0,1|0,1,0]=3 219 B16R1.1061 O=C(O)CNC(=O)/C=C/C1=CC=C(C=C1)Cl R610445 [0,0,0,0,0,2|1,0,0]=3 220 B16R1.1061 O=C(O)CNC(=O)CSC1=CC=C(C=C1)Cl R549495 [0,0,0,0,0,2|1,0,0]=3 221 B16R1.1067 CC1=CC=C(C=C1)NC(=O)CCCC(=O)O S703613 [0,0,0,0,0,2|2,0,0]=4 222 B16R1.1067 CC1=CC=C(C=C1)NC(=O)CSCC(=O)O EME00132 [0,0,0,0,0,2|2,0,0]=4 223 B16R1.1067 NC1=CC=C(C=C1)NC(=O)CSCC(=O)O L100536 [0,0,0,0,0,2|1,0,0]=3 224 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)Br S921637 [0,0,0,0,0,2|2,0,0]=4 225 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)Cl S730394 [0,0,0,0,0,2|2,0,0]=4 226 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)F S703850 [0,0,0,0,0,2|2,0,0]=4 227 B16R1.1067 O=C(O)CCCC(=O)NC1=CC=C(C=C1)I S730343 [0,0,0,0,0,2|2,0,0]=4 228 B16R1.1026 O=C(O)CCSCC(=O)C1=CC=C(C=C1)Cl L145548 [0,0,0,0,0,2|2,0,0]=4