smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1 ZINC000033616518 527123775 /nfs/dbraw/zinc/12/37/75/527123775.db2.gz NISFAIXCOKCVHV-MSOLQXFVSA-N 2 1 455.567 -0.302 10 30 JBEEMP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1 ZINC000033616519 527124096 /nfs/dbraw/zinc/12/40/96/527124096.db2.gz NISFAIXCOKCVHV-ZWKOTPCHSA-N 2 1 455.567 -0.302 10 30 JBEEMP