smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H](C(=O)O)[C@@](CCCC)(SC(=S)N(CC)CC)C(=O)[O-] ZINC000090425715 208110760 /nfs/dbraw/zinc/11/07/60/208110760.db2.gz RGNIAYPSFRSMCF-CXAGYDPISA-N -1 2 377.572 4.251 10 0 GIAELM CCCC[C@@H](C(=O)O)[C@](CCCC)(SC(=S)N(CC)CC)C(=O)[O-] ZINC000090425706 211187694 /nfs/dbraw/zinc/18/76/94/211187694.db2.gz RGNIAYPSFRSMCF-GUYCJALGSA-N -1 2 377.572 4.251 10 0 GIAELM