smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=CN[C@H](CCC(N)=O)C(=O)[O-])C(=O)N(C)C1=O ZINC000019723180 182139187 /nfs/dbraw/zinc/13/91/87/182139187.db2.gz NSHUFJCETSIDTB-SSDOTTSWSA-N -1 0 312.282 -1.771 10 10 DACERM CN1C(=O)C(=CN[C@@H](CCC(N)=O)C(=O)[O-])C(=O)N(C)C1=O ZINC000019723178 182139165 /nfs/dbraw/zinc/13/91/65/182139165.db2.gz NSHUFJCETSIDTB-ZETCQYMHSA-N -1 0 312.282 -1.771 10 10 DACERM