smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)C(=O)[O-] ZINC000008860531 541109187 /nfs/dbraw/zinc/10/91/87/541109187.db2.gz HSMUPNYJCMYKJH-KRWDZBQOSA-N -2 2 423.487 4.146 50 30 HIEALL CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)C(=O)[O-] ZINC000008860531 541109190 /nfs/dbraw/zinc/10/91/90/541109190.db2.gz HSMUPNYJCMYKJH-KRWDZBQOSA-N -2 2 423.487 4.146 50 30 HIEALL