smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=N)Nc1ccc(C(=O)Nc2ccc(NC(=[NH2+])NCC)cc2)cc1 ZINC000169331551 206251858 /nfs/dbraw/zinc/25/18/58/206251858.db2.gz YCSCSXJEZUWSEN-UHFFFAOYSA-N 1 3 367.457 2.432 1 30 FEEFHO