smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000034914293 569292761 /nfs/dbraw/zinc/29/27/61/569292761.db2.gz SEFVRKXJJPMVHQ-JGVFFNPUSA-N -1 1 403.396 -4.356 10 0 HAAEMM NCC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000034914294 569292755 /nfs/dbraw/zinc/29/27/55/569292755.db2.gz SEFVRKXJJPMVHQ-HTQZYQBOSA-N -1 1 403.396 -4.356 10 0 HAAEMM