smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000741647383 1201781310 /nfs/dbraw/zinc/78/13/10/1201781310.db2.gz CDDJYAJHMIBEDE-UHFFFAOYSA-N 0 2 397.478 0.971 10 10 GCCELN