smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCCN1C(=O)/C(=C\c2cccc(OCc3cccc(C(=O)[O-])c3)c2)SC1=S ZINC001318336955 1067022338 /nfs/dbraw/zinc/02/23/38/1067022338.db2.gz UCVUQWIIUOLUIJ-LDADJPATSA-N -2 0 457.529 4.030 20 10 JICDRL O=C([O-])CCCN1C(=O)/C(=C/c2cccc(OCc3cccc(C(=O)[O-])c3)c2)SC1=S ZINC001318336956 1067022455 /nfs/dbraw/zinc/02/24/55/1067022455.db2.gz UCVUQWIIUOLUIJ-PDGQHHTCSA-N -2 0 457.529 4.030 20 10 JICDRL