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	ZINC000008681705	556199240	/nfs/dbraw/zinc/19/92/40/556199240.db2.gz	JBIWCJUYHHGXTC-ZANMZITMSA-N	-2	1	444.440	-0.348	50	30	biogenic	IBEAML
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	ZINC000016248871	556594517	/nfs/dbraw/zinc/59/45/17/556594517.db2.gz	JBIWCJUYHHGXTC-NYGPLGGXSA-N	-2	1	444.440	-0.348	50	30	biogenic	IBEAML
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	ZINC000016248873	556594473	/nfs/dbraw/zinc/59/44/73/556594473.db2.gz	JBIWCJUYHHGXTC-HKRBQSTLSA-N	-2	1	444.440	-0.348	50	30	biogenic	IBEAML
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	ZINC000021984604	525716225	/nfs/dbraw/zinc/71/62/25/525716225.db2.gz	JBIWCJUYHHGXTC-ACUBJMGKSA-N	-2	1	444.440	-0.348	50	30		IBEAML
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	ZINC000106046010	557137788	/nfs/dbraw/zinc/13/77/88/557137788.db2.gz	JBIWCJUYHHGXTC-HEMWUFRKSA-N	-2	1	444.440	-0.348	50	30		IBEAML
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	ZINC000227256849	568885733	/nfs/dbraw/zinc/88/57/33/568885733.db2.gz	JBIWCJUYHHGXTC-ICIOMLFKSA-N	-2	1	444.440	-0.348	50	30		IBEAML