smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]CCCNS(=O)(=O)c1cccc2cccnc21 ZINC000040576986 205067867 /nfs/dbraw/zinc/06/78/67/205067867.db2.gz WCODDGZMZGTGQW-UHFFFAOYSA-N 2 3 393.557 1.211 1 0 GDAFHP NCCC[NH2+]CCCC[NH2+]CCCNS(=O)(=O)c1cccc2ccccc21 ZINC000040576794 205066581 /nfs/dbraw/zinc/06/65/81/205066581.db2.gz JQLJYUVNUKDSLO-UHFFFAOYSA-N 2 3 392.569 1.816 1 0 GDAFHP