smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@H](O)/C=C/C=C/C=C/CO)O[P@@](=O)([O-])O ZINC000004213388 562942682 /nfs/dbraw/zinc/94/26/82/562942682.db2.gz ZMQRJWIYMXZORG-JSBFNKRHSA-N -1 2 430.390 1.055 10 0 in-man IDAELM C[C@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@H](O)/C=C/C=C/C=C/CO)O[P@](=O)([O-])O ZINC000004213388 562942683 /nfs/dbraw/zinc/94/26/83/562942683.db2.gz ZMQRJWIYMXZORG-JSBFNKRHSA-N -1 2 430.390 1.055 10 0 in-man IDAELM C[C@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)O[P@@](=O)([O-])O ZINC000013761330 563005090 /nfs/dbraw/zinc/00/50/90/563005090.db2.gz ZMQRJWIYMXZORG-LFZCHKQTSA-N -1 2 430.390 1.055 10 0 in-man IDAELM C[C@](O)(/C=C/[C@@H]1CC=CC(=O)O1)[C@@H](C[C@@H](O)/C=C/C=C/C=C/CO)O[P@](=O)([O-])O ZINC000013761330 563005091 /nfs/dbraw/zinc/00/50/91/563005091.db2.gz ZMQRJWIYMXZORG-LFZCHKQTSA-N -1 2 430.390 1.055 10 0 in-man IDAELM