smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](Nc1ccc(/C=C(\C#N)C(=O)OCC[N+](C)(C)C)cc1)c1ccccc1 ZINC000135974850 717151022 /nfs/dbraw/zinc/15/10/22/717151022.db2.gz PUIFFHFELDLOPX-QHCPKHFHSA-O 1 0 392.523 4.406 10 50 GIGERO CC[C@@H](Nc1ccc(/C=C(\C#N)C(=O)OCC[N+](C)(C)C)cc1)c1ccccc1 ZINC000135974889 717150657 /nfs/dbraw/zinc/15/06/57/717150657.db2.gz PUIFFHFELDLOPX-HSZRJFAPSA-O 1 0 392.523 4.406 10 50 GIGERO