smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=CNCCCO)C(=O)N1 ZINC000006015774 351375911 /nfs/dbraw/zinc/37/59/11/351375911.db2.gz VZIMUGNIEWHRQG-UHFFFAOYSA-N 0 1 213.193 -1.792 10 10 BACEMN CN(C)C(=O)N=[N+]([O-])C(CO)(CO)[N+](=O)[O-] ZINC000019321792 384516123 /nfs/dbraw/zinc/51/61/23/384516123.db2.gz JAIPVHINLNIMJK-CLFYSBASSA-N 0 1 236.184 -1.412 10 10 BACEMN CN(C)C(=O)[N-][N+](=O)C(CO)(CO)[N+](=O)[O-] ZINC000019321792 384516116 /nfs/dbraw/zinc/51/61/16/384516116.db2.gz JAIPVHINLNIMJK-CLFYSBASSA-N 0 1 236.184 -1.412 10 10 BACEMN