smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(N)=O)c2)CC1 ZINC000216873479 395837191 /nfs/dbraw/zinc/83/71/91/395837191.db2.gz PFDWKJROKYDPDO-UHFFFAOYSA-N 1 2 317.798 0.375 40 70 DCIBLO CNC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000216853277 290626624 /nfs/dbraw/zinc/62/66/24/290626624.db2.gz DPPBWLURJVUOQW-UHFFFAOYSA-N 1 2 311.407 0.291 40 70 DCIBLO