0 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,0,0|0,0,0]=0 1 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,0,0|0,0,0]=0 2 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] FMR [0,0,0,0,0,0|0,0,2]=2 3 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,0,0,0,0,0|0,0,2]=2 4 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,0,0,0,0,0|1,0,3]=4 5 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,0|1,0,2]=3 6 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 N=C(\N)/NCC(=O)O NMG [0,0,0,0,0,0|3,0,1]=4 8 B6R0.4 C(CC(=O)O)C=O SSN [1,0,0,0,0,0|0,0,2]=3 9 B8R0.9 C(CC(=O)O)C(=O)C=O HKV [0,1,0,0,0,0|0,0,3]=4 10 B8R0.9 C(CC(=O)O)C(=O)CCl TQ9 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.9 C(CC(=O)O)C(=O)CF LAF [0,1,0,0,0,0|1,0,2]=4 12 B8R0.9 COC(=O)CCC(=O)O MSU [0,1,0,0,0,0|0,0,2]=3 13 B8R0.23 C(=C(/C(=O)O)\N)/C(=O)O 2KZ [0,1,0,0,0,0|0,0,0]=1 14 B8R0.23 C(=C(/O)\[O-])/[C@H](C(=O)[O-])O TEO [0,1,0,0,0,0|0,0,3]=4 15 B8R0.23 C(=C(\C(=O)O)/N)/C(=O)O DYA [0,1,0,0,0,0|0,0,0]=1 16 B8R0.23 C(C(=O)C(=O)O)C(=O)[O-] OAA [0,1,0,0,0,0|0,0,2]=3 17 B8R0.23 C(C(=O)N)N(C(=O)O)N ZSN [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 C(C(=O)O)N(C(=O)O)O HAD [0,1,0,0,0,0|1,0,1]=3 19 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O XSN [0,1,0,0,0,0|1,0,2]=4 20 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN [0,1,0,0,0,0|1,0,2]=4 21 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH [0,1,0,0,0,0|1,0,2]=4 22 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP [0,1,0,0,0,0|0,0,2]=3 23 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O IAS [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 [0,1,0,0,0,0|0,0,3]=4 26 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O CSW [0,1,0,0,0,0|1,0,2]=4 27 B8R0.23 C([C@@H](C(=O)O)N)[S@@](=O)O CSD [0,1,0,0,0,0|1,0,2]=4 28 B8R0.23 C([C@@H](C(=O)O)N)[Se](=O)O SE7 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O LMR [0,1,0,0,0,0|0,0,2]=3 30 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H [0,1,0,0,0,0|1,0,2]=4 31 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H [0,1,0,0,0,0|0,0,2]=3 32 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 [0,1,0,0,0,0|0,0,3]=4 33 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O ASI [0,1,0,0,0,0|0,0,3]=4 34 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 [0,1,0,0,0,0|0,0,3]=4 35 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW [0,1,0,0,0,0|0,0,3]=4 36 B8R0.23 C([C@H](C(=O)O)N)C(=O)N DSG [0,1,0,0,0,0|1,0,2]=4 37 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DAS [0,1,0,0,0,0|0,0,2]=3 38 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DSP [0,1,0,0,0,0|0,0,2]=3 39 B8R0.23 C([C@H](C(=O)O)O)C(=O)O DMR [0,1,0,0,0,0|0,0,2]=3 40 B8R0.23 C([C@H](C(=O)O)O)C(=O)O MLT [0,1,0,0,0,0|0,0,2]=3 41 B8R0.23 C=C(CC(=O)O)C(=O)O ITN [0,1,0,0,0,0|0,0,1]=2 42 B8R0.23 CC(=O)[C@H](CC(=O)O)N ASK [0,1,0,0,0,0|1,0,2]=4 43 B8R0.23 CC(CC(=O)O)C(=O)O JO3 [0,1,0,0,0,0|0,0,2]=3 44 B8R0.23 CN(CC(=O)O)C(=O)N CMS [0,1,0,0,0,0|2,0,1]=4 45 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AYA [0,1,0,0,0,0|2,0,1]=4 46 B8R0.23 C[C@@H](C(=O)O)NC(=O)O NXA [0,1,0,0,0,0|1,0,1]=3 47 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SUH [0,1,0,0,0,0|0,0,2]=3 48 B8R0.23 C[C@H](C(=O)O)NC(=O)N NCB [0,1,0,0,0,0|2,0,1]=4 49 B8R0.23 C\C(=C/C(=O)O)\C(=O)O MEZ [0,1,0,0,0,0|0,0,0]=1 50 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CIZ [0,1,0,0,0,0|0,0,0]=1 51 B8R0.23 N=C(\C[C@@H](C(=O)O)N)/O 41Q [0,1,0,0,0,0|1,0,2]=4 52 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N UGY [0,1,0,0,0,0|2,0,1]=4 53 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O UGC [0,1,0,0,0,0|2,0,1]=4 54 B8R0.29 C(C(=O)O)OP(=O)(O)O 2PL [0,1,0,0,0,0|2,0,1]=4 55 B8R0.29 C(C(=O)O)OP(=O)(O)O PGA [0,1,0,0,0,0|2,0,1]=4 56 B8R0.29 C(CP(=O)(O)O)C(=O)O 3PP [0,1,0,0,0,0|1,0,2]=4 57 B8R0.29 C(CS(=O)(=O)O)C(=O)O X1S [0,1,0,0,0,0|1,0,2]=4 58 B8R1.3 C1=CC(=O)C=CC1=O PLQ [0,0,0,1,0,0|2,0,0]=3 59 B8R1.3 C1=CC(=O)NC=C1Br 4HS [0,0,0,1,0,0|3,0,0]=4 60 B8R1.3 Cc1ccc(cc1)O PCR [0,0,0,1,0,0|3,0,0]=4 61 B8R1.3 c1cc(ccc1N)O 4NL [0,0,0,1,0,0|3,0,0]=4 62 B8R1.3 c1cc(ccc1O)Br BML [0,0,0,1,0,0|3,0,0]=4 63 B8R1.3 c1cc(ccc1O)Cl 4CH [0,0,0,1,0,0|3,0,0]=4 64 B8R1.3 c1cc(ccc1O)F FPN [0,0,0,1,0,0|3,0,0]=4 65 B8R1.3 c1cc(ccc1O)I IOL [0,0,0,1,0,0|3,0,0]=4 66 B8R1.3 c1cc(ccc1O)O HQE [0,0,0,1,0,0|2,0,0]=3 67 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,1,0|1,0,1]=3 68 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,1,0|1,0,1]=3 69 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,1,0|0,0,1]=2 70 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,0,0,0,1,0|0,0,3]=4 71 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,1,0|2,0,1]=4 72 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,1,0|1,0,1]=3 73 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,1,0|1,0,1]=3 74 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,1,0|1,0,2]=4 75 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,1,0|1,0,2]=4 76 B8R0.28 C(C(=O)O)OCC(=O)O OEG [0,0,0,0,0,1|0,0,2]=3 77 B8R0.28 C(C(=O)O)SCC(=O)O 9X6 [0,0,0,0,0,1|0,0,2]=3 78 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,0,0,0,0,1|0,0,2]=3 79 B8R0.28 C(CNC(=O)N)C(=O)O URP [0,0,0,0,0,1|1,0,2]=4 80 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,0,0,0,0,1|0,0,0]=1 81 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,0,0,0,0,1|1,0,2]=4 82 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|0,0,2]=4 83 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|0,0,1]=3 84 B5R0.2 C(=CC=O)C=O 2FU [2,0,0,0,0,0|0,0,0]=2 85 B7R0.2 C(C(=O)O)N(C=O)O HDA [1,1,0,0,0,0|1,0,1]=4 86 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [1,1,0,0,0,0|0,0,2]=4 87 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,1,0,0,0,0|1,0,1]=4 88 B7R0.5 C(C=O)[C@H](C(=O)O)N AS2 [1,1,0,0,0,0|0,0,2]=4 89 B7R0.5 C(CO)C(=O)C(=O)O VGX [1,1,0,0,0,0|0,0,2]=4 90 B7R0.5 C/C=C\C(=O)C(=O)O OXP [1,1,0,0,0,0|1,0,0]=3 91 B7R0.5 CS/C=C(/C(=O)O)\O DEI [1,1,0,0,0,0|2,0,0]=4 92 B7R0.9 C(C(=O)O)P(=O)(O)O PAE [0,1,0,0,1,0|1,0,1]=4 93 B7R0.9 C(C(=O)O)S(=O)(=O)O SAT [0,1,0,0,1,0|1,0,1]=4 94 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,1,0,0,1,0|0,0,0]=2 95 B7R0.16 C(C(=O)O)(C(=O)O)N FGL [0,1,0,0,1,0|0,0,1]=3 96 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,0,0,1,0|1,0,1]=4 97 B7R0.16 CC(C(=O)O)C(=O)O DXX [0,1,0,0,1,0|0,0,1]=3 98 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,1,0,0,1,0|1,0,0]=3 99 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,1,0,0,1,0|1,1,0]=4 100 B9R0.7 C(=C(\C(=O)O)/N)/NC(=O)N UAL [0,1,0,0,0,1|1,0,0]=3 101 B9R0.7 C(C(=O)O)NC(=O)C(=O)O OGA [0,1,0,0,0,1|0,0,1]=3 102 B9R0.7 C(CC(=O)O)C(=O)C(=O)O 2OG [0,1,0,0,0,1|0,0,1]=3 103 B9R0.7 C(CC(=O)O)C(=O)C(=O)O AKG [0,1,0,0,0,1|0,0,1]=3 104 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N GGL [0,1,0,0,0,1|0,0,2]=4 105 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N GLU [0,1,0,0,0,1|0,0,2]=4 106 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N GLU_LFOH [0,1,0,0,0,1|0,0,2]=4 107 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)O S2G [0,1,0,0,0,1|0,0,2]=4 108 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)[NH-] GLU_LEO2H [0,1,0,0,0,1|0,0,2]=4 109 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N DGL [0,1,0,0,0,1|0,0,2]=4 110 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N FGA [0,1,0,0,0,1|0,0,2]=4 111 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)O 2HG [0,1,0,0,0,1|0,0,2]=4 112 B9R0.53 C(C(CC(=O)O)N)C(=O)O B3D [0,1,0,0,0,1|0,0,2]=4 113 B9R0.53 C(C(CC(=O)O)O)C(=O)O 3HG [0,1,0,0,0,1|0,0,2]=4 114 B9R0.42 C([C@@H](C(=O)O)N)C(=O)NO SD4 [0,2,0,0,0,0|0,0,2]=4 115 B9R0.42 C([C@@H](C=O)O)C(=O)C(=O)O GXP [0,2,0,0,0,0|0,0,2]=4 116 B9R0.42 C([C@H](C(=O)O)N)C(=O)NO SD3 [0,2,0,0,0,0|0,0,2]=4 117 B9R0.42 C([C@H](C=O)O)C(=O)C(=O)O GXS [0,2,0,0,0,0|0,0,2]=4 118 B9R0.11 CC(C)(CC(=O)O)C(=O)O WOC [0,2,0,0,0,0|0,0,2]=4 119 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N 0A0 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.39 C([C@@H](C(=O)O)S[Au])C(=O)O MYQ [0,2,0,0,0,0|0,0,2]=4 121 B9R0.39 CN[C@H](CC(=O)O)C(=O)O OEM [0,2,0,0,0,0|0,0,2]=4 122 B9R0.57 C(C(=O)C(=O)O)P(=O)(O)O PPR [0,2,0,0,0,0|1,0,1]=4 123 B9R0.57 C(C(=O)C(=O)O)S(=O)(=O)O SPV [0,2,0,0,0,0|1,0,1]=4 124 B9R0.57 C=C(C(=O)O)OP(=O)(O)O PEP [0,2,0,0,0,0|2,0,0]=4 125 B9R0.57 C\C(=C/P(=O)(O)O)\C(=O)O GZ3 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.79 C[C@@H]([C@@H](C(=O)O)N)C(=O)O 3MD [0,2,0,0,0,0|0,0,2]=4 127 B9R0.79 C[C@@H]([C@H](C(=O)O)N)C(=O)O ACB [0,2,0,0,0,0|0,0,2]=4 128 B9R0.79 [C@@H]([C@@H](C(=O)O)O)(C(=O)O)N 999 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O TLA [0,2,0,0,0,0|0,0,2]=4 130 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)N BHD [0,2,0,0,0,0|0,0,2]=4 131 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)N DOH [0,2,0,0,0,0|0,0,2]=4 132 B9R0.79 [C@H]([C@@H](C(=O)O)O)(C(=O)O)O TAR [0,2,0,0,0,0|0,0,2]=4 133 B9R0.79 [C@H]([C@H](C(=O)O)O)(C(=O)O)N BH2 [0,2,0,0,0,0|0,0,2]=4 134 B9R0.79 [C@H]([C@H](C(=O)O)O)(C(=O)O)O SRT [0,2,0,0,0,0|0,0,2]=4 135 B7R1.3 c1cc(cnc1)O 71A [1,0,0,1,0,0|2,0,0]=4 136 B7R1.3 c1ccc(cc1)O IPH [1,0,0,1,0,0|2,0,0]=4 137 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,0,0,1,0,1|2,0,0]=4 138 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,0,0,1,0,1|1,0,0]=3 139 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,0,0,1,0,1|1,1,0]=4 140 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,0,0,1,0,1|2,0,0]=4 141 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,0,0,1,0,1|1,0,0]=3 142 B9R1.161 [C@@H]1(C(O1)C(=O)O)C(=O)O EPO [0,0,0,1,0,1|0,0,2]=4 143 B9R1.1 COc1ccc(cc1)O 4KS [0,1,0,1,0,0|2,0,0]=4 144 B9R1.1 c1cc(ccc1C=O)O HBA [0,1,0,1,0,0|2,0,0]=4 145 B9R1.69 CC1=CC(=S)C(=CO1)O TM7 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.69 c1cc(c(cc1O)O)O HQN [0,1,0,1,0,0|1,0,1]=4 147 B9R1.69 c1cc(c(cc1O)O)S TH0 [0,1,0,1,0,0|1,1,0]=4 148 B5R0.5 C(=O)(C(=O)O)N OXM [0,0,0,0,2,0|1,0,0]=3 149 B5R0.5 C(=O)(C(=O)O)O OXD [0,0,0,0,2,0|0,0,0]=2 150 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,0,0,0,2,0|0,0,2]=4 151 B5R0.5 C=C(C(=O)O)N DHA [0,0,0,0,2,0|2,0,0]=4 152 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,2,0|2,0,0]=4 153 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,2,0|1,0,0]=3 154 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,2,0|1,0,1]=4 155 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,2,0|1,0,1]=4 156 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,2,0|1,0,1]=4 157 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,0,0,0,2,0|1,0,1]=4 158 B9R0.55 C(=C\C(=O)O)\C=C/C(=O)O CCU [0,0,0,0,0,2|0,0,0]=2 159 B9R0.55 C(CCC(=O)O)CC(=O)O 0L1 [0,0,0,0,0,2|0,0,2]=4