smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CC[C@H]1N1CCN(C)CC1 ZINC000020453024 558367091 /nfs/dbraw/zinc/36/70/91/558367091.db2.gz JMPKMAKIXBEISU-FXAWDEMLSA-N 1 1 405.539 1.792 10 10 HDCEMO COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2O)CC[C@H]1N1CCN(C)CC1 ZINC000020453024 558367094 /nfs/dbraw/zinc/36/70/94/558367094.db2.gz JMPKMAKIXBEISU-FXAWDEMLSA-N 1 1 405.539 1.792 10 10 HDCEMO