smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCOC(=O)CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCC[NH+](C)C)C2=O)SC1=S ZINC000137106973 571450248 /nfs/dbraw/zinc/45/02/48/571450248.db2.gz GZWYTPGFLHCIAW-ZCXUNETKSA-N 1 3 576.788 1.689 50 10 KDCAHO