smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCOc2ccc(N)cc2)cc1 ZINC000001710094 534961295 /nfs/dbraw/zinc/96/12/95/534961295.db2.gz JBGRJKGRFDNAGK-UHFFFAOYSA-N 1 3 368.441 1.912 40 10 FDCBHO