smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@H]3[C@H](O)[C@@H]21	ZINC000011592656	556342305	/nfs/dbraw/zinc/34/23/05/556342305.db2.gz	JBIWCJUYHHGXTC-GLOXXAECSA-N	-2	1	444.440	-0.348	1	30		IBEFML
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@H]3[C@H](O)[C@H]21	ZINC000019203888	556707739	/nfs/dbraw/zinc/70/77/39/556707739.db2.gz	JBIWCJUYHHGXTC-HYMHLKBWSA-N	-2	1	444.440	-0.348	1	30		IBEFML
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@H]3[C@H](O)[C@@H]21	ZINC000019203897	556707812	/nfs/dbraw/zinc/70/78/12/556707812.db2.gz	JBIWCJUYHHGXTC-RNEDODMBSA-N	-2	1	444.440	-0.348	1	30		IBEFML
C[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21	ZINC000004019706	562940831	/nfs/dbraw/zinc/94/08/31/562940831.db2.gz	YDUGFTMNXJLIFF-AKNGSSGZSA-N	-2	1	444.440	-0.348	3	30	in-vitro	IBEFML