smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1C[C@@]2(C)CN(C(c3ccccc3)c3ccccc3)C[C@@](C)(C1)[C@H]2O ZINC000217355601 496997266 /nfs/dbraw/zinc/99/72/66/496997266.db2.gz UKYMTLSOXQIYEO-WBDAEOGXSA-N 2 1 350.506 3.411 40 70 FGIBMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000217017351 496993265 /nfs/dbraw/zinc/99/32/65/496993265.db2.gz PTUAQCQMQRPOCA-GOSISDBHSA-N 2 1 357.542 3.380 40 70 FGIBMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)C1 ZINC000217017390 496993063 /nfs/dbraw/zinc/99/30/63/496993063.db2.gz PTUAQCQMQRPOCA-SFHVURJKSA-N 2 1 357.542 3.380 40 70 FGIBMP