smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=S)N(CCC3=CCCCC3)C1=O)n(C)c(=O)n(C)c2=O ZINC000009311946 555088608 /nfs/dbraw/zinc/08/86/08/555088608.db2.gz SOLRYAKLDRMTHA-QBFSEMIESA-N -1 1 486.558 -0.095 50 10 JBCAMM Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=S)N(C3CCCCC3)C1=O)n(C)c(=O)n(C)c2=O ZINC000009373824 555135612 /nfs/dbraw/zinc/13/56/12/555135612.db2.gz QZVWJQTXDZCJDN-LUAWRHEFSA-N -1 1 460.520 -0.653 50 10 JBCAMM