smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=S)NNCC(NNC(N)=S)C(=O)[C@@H](O)C(=O)[C@@H](O)CO ZINC000018100945 482547043 /nfs/dbraw/zinc/54/70/43/482547043.db2.gz XCIDFZPEROJFNJ-KWJVTVNOSA-N 0 1 354.414 -4.570 40 30 FAEBMN NC(=S)NNCC(NNC(N)=S)C(=O)[C@@H](O)C(=O)[C@@H](O)CO ZINC000104122760 222350621 /nfs/dbraw/zinc/35/06/21/222350621.db2.gz XCIDFZPEROJFNJ-PQQGXITLSA-N 0 1 354.414 -4.570 40 30 FAEBMN NC(=S)NNCC(NNC(N)=S)C(=O)[C@@H](O)C(=O)[C@@H](O)CO ZINC000104122765 482654508 /nfs/dbraw/zinc/65/45/08/482654508.db2.gz XCIDFZPEROJFNJ-YMVFSVPQSA-N 0 1 354.414 -4.570 40 30 FAEBMN NC(=S)NNCC(NNC(N)=S)C(=O)[C@@H](O)C(=O)[C@@H](O)CO ZINC000104122768 222349854 /nfs/dbraw/zinc/34/98/54/222349854.db2.gz XCIDFZPEROJFNJ-CINAZACSSA-N 0 1 354.414 -4.570 40 30 FAEBMN