smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CN1C(=O)CSC1=S ZINC001144848111 1067123211 /nfs/dbraw/zinc/12/32/11/1067123211.db2.gz BYBZHRLEDWKVTK-CMZFSVJKSA-N 0 3 455.478 -2.746 20 10 JACDHN