smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(O)c1CSC[C@H](NC(C)=O)C(=O)[O-])C(=O)C(CO)=CC2=O	ZINC000002013690	560185568	/nfs/dbraw/zinc/18/55/68/560185568.db2.gz	XMGJRXDFMZYRQG-LBPRGKRZSA-N	-1	0	409.416	0.521	10	30	in-vitro	HCEERM
COC(=O)C(=O)C(C(=O)C=C(C)C)=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000198718960	569363611	/nfs/dbraw/zinc/36/36/11/569363611.db2.gz	RHFHHKGANYJKEA-ZDUSSCGKSA-N	-1	0	421.318	0.904	10	30		HCEERM
COC(=O)C(=O)C(C(=O)C=C(C)C)=C([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000198718978	569363594	/nfs/dbraw/zinc/36/35/94/569363594.db2.gz	RHFHHKGANYJKEA-CYBMUJFWSA-N	-1	0	421.318	0.904	10	30		HCEERM
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@@H]3C[C@H]12	ZINC000306122643	568824853	/nfs/dbraw/zinc/82/48/53/568824853.db2.gz	XDVCLKFLRAWGIT-XGKBUVFBSA-N	-1	0	414.414	0.121	10	30		HCEERM