KEGG:C07100 2,4,5-Trichlorophenoxyacetic acid ISISHOST03240423162D 1 1.00000 0.00000 6151 14 14 0 0 0 999 V2000 -0.2069 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0.5103 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9241 -0.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2034 0.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0.5103 -1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 1.2310 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 -0.9241 -1.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0.5138 1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2069 -1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6448 -1.6586 0.0000 Cl 0 0 0 0 0 0 0 0 0 0.5172 2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2034 -2.4897 0.0000 Cl 0 0 0 0 0 0 0 0 0 1.2345 2.4862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.2034 2.4862 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 4 8 1 0 0 0 5 9 2 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 9 12 1 0 0 0 11 13 1 0 0 0 11 14 2 0 0 0 7 9 1 0 0 0 M END