smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(C[N+]12CC[NH+](CC1)CC2)C1CCCCC1 ZINC000201129303 347871913 /nfs/dbraw/zinc/87/19/13/347871913.db2.gz KGEGEAZNZUMUNT-UHFFFAOYSA-N 2 2 223.384 2.103 50 5 BEBALP