smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCC[NH3+])O2)c(=O)[nH]c1=O ZINC000027871304 204869749 /nfs/dbraw/zinc/86/97/49/204869749.db2.gz SHYGURSEKYQFQH-AXFHLTTASA-N 1 0 368.350 0.313 1 10 FCCFRO NC(=O)[C@@H]1CCCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000039094622 205045003 /nfs/dbraw/zinc/04/50/03/205045003.db2.gz MFIQKVOAHGQQCG-OKUINBFDSA-N 1 0 354.279 0.872 1 10 FCCFRO NC(=O)C1CCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000040567105 208256507 /nfs/dbraw/zinc/25/65/07/208256507.db2.gz RQSUZTINPBTMPF-JXAWBTAJSA-N 1 0 354.279 0.872 1 10 FCCFRO