smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](CCO)CC2)n1 ZINC000218240640 352235146 /nfs/dbraw/zinc/23/51/46/352235146.db2.gz GXKLRUBCWCXDRG-UHFFFAOYSA-N 2 1 292.387 -0.622 50 70 CBIAMP