smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCc1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000026941011 202150329 /nfs/dbraw/zinc/15/03/29/202150329.db2.gz FUDATWMAQRODJD-UHFFFAOYSA-N 1 3 327.431 5.023 1 10 EKCFHO C[NH+](C)Cc1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000029307847 202184657 /nfs/dbraw/zinc/18/46/57/202184657.db2.gz WFOURUDCCXDEKT-UHFFFAOYSA-N 1 3 327.431 5.193 1 10 EKCFHO