smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@@H](c1ccc(O)c(O)c1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)[O-] ZINC000090608621 185306463 /nfs/dbraw/zinc/30/64/63/185306463.db2.gz QLHKCGDXBFZNTD-QWRGUYRKSA-N 2 2 306.322 -0.203 10 10 DBCELP [NH3+]C[C@H](c1ccc(O)c(O)c1)n1c[nH+]cc1C[C@H]([NH3+])C(=O)[O-] ZINC000090608620 185306287 /nfs/dbraw/zinc/30/62/87/185306287.db2.gz QLHKCGDXBFZNTD-WDEREUQCSA-N 2 2 306.322 -0.203 10 10 DBCELP