smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1nc(C2CC([NH3+])C2)cc(N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000218401331 136203623 /nfs/dbraw/zinc/20/36/23/136203623.db2.gz DATYVCNTIJUYJX-UHFFFAOYSA-N 2 0 388.560 1.292 50 70 GDIARP