smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NN=c2[nH]c3nonc3nc2N/N=C2\C(=O)[N-]C(=O)NC2=O)cc1 ZINC000408721813 231105665 /nfs/dbraw/zinc/10/56/65/231105665.db2.gz ZITKQMADZZMASF-UHFFFAOYSA-N -1 2 396.327 -1.262 40 30 GAEBLM Cc1ccc(NN=c2[nH]c3nonc3nc2N/N=C2/C(=O)[N-]C(=O)NC2=O)cc1 ZINC000408721813 231105662 /nfs/dbraw/zinc/10/56/62/231105662.db2.gz ZITKQMADZZMASF-UHFFFAOYSA-N -1 2 396.327 -1.262 40 30 GAEBLM