smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001302847063 1067432226 /nfs/dbraw/zinc/43/22/26/1067432226.db2.gz FGWLYRZUFFMLQN-UHFFFAOYSA-N 2 0 463.630 3.426 20 10 JGCDRP