smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCOC(=O)CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCC[NH+](C)C)C2=O)SC1=S ZINC000137106973 571450245 /nfs/dbraw/zinc/45/02/45/571450245.db2.gz GZWYTPGFLHCIAW-ZCXUNETKSA-N 2 0 576.788 1.689 50 10 KDCARP