smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)C[C@@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217387893 395838369 /nfs/dbraw/zinc/83/83/69/395838369.db2.gz QSLQVIBFXQMVCH-ARFHVFGLSA-N 2 0 319.449 0.970 40 70 DCIBRP CC[NH+](CC)C[C@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000217387829 395838539 /nfs/dbraw/zinc/83/85/39/395838539.db2.gz QSLQVIBFXQMVCH-XHSDSOJGSA-N 2 0 319.449 0.970 40 70 DCIBRP