smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)c1cc(S(=O)(=O)NCCCN2CC[NH+](C)CC2)ccc1OC ZINC000216949670 570310397 /nfs/dbraw/zinc/31/03/97/570310397.db2.gz OGIGGVSPZDGJCZ-UHFFFAOYSA-N 1 0 384.502 -0.029 40 70 GBIBRO