smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H]1C[C@@H](P(=O)([O-])[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240894	559067904	/nfs/dbraw/zinc/06/79/04/559067904.db2.gz	KIIWXTBVLUMNBM-KZULUSFZSA-N	-3	3	417.354	2.641	10	0		HFAEHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCOCC1	ZINC000032962217	526353522	/nfs/dbraw/zinc/35/35/22/526353522.db2.gz	NYPFLYLJCKOQAC-UHFFFAOYSA-N	-2	3	416.499	2.901	10	0		HFAEHL
O=C([O-])[C@@H]1C[C@H](P(=O)([O-])[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240895	559067924	/nfs/dbraw/zinc/06/79/24/559067924.db2.gz	KIIWXTBVLUMNBM-SGTLLEGYSA-N	-3	3	417.354	2.641	10	0		HFAEHL
C[C@H]1CCc2c(sc3[n-]c(Cn4nc(C(=O)[O-])c5ccccc5c4=O)nc(=O)c23)C1	ZINC000003272554	568870539	/nfs/dbraw/zinc/87/05/39/568870539.db2.gz	GVKUGGWBFBNLRW-JTQLQIEISA-N	-2	3	422.466	2.566	10	0		HFAEHL
CCCc1nc2cc(NC(=S)[N-]C(=O)OC)c(NC(=S)[N-]C(=O)OC)cc2[nH]1	ZINC000001894045	557294828	/nfs/dbraw/zinc/29/48/28/557294828.db2.gz	DJCJDSUXSZCNPW-UHFFFAOYSA-N	-2	3	424.508	2.621	10	0		HFAEHL
O=C([O-])[C@@H]1C[C@@H](P(=O)([O-])[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240896	559067893	/nfs/dbraw/zinc/06/78/93/559067893.db2.gz	KIIWXTBVLUMNBM-XIKOKIGWSA-N	-3	3	417.354	2.641	10	0		HFAEHL
CC(C)C[C@H](NC(=O)COc1ccc(C(=O)COc2ccccc2)c([O-])c1)C(=O)[O-]	ZINC000002106578	569283108	/nfs/dbraw/zinc/28/31/08/569283108.db2.gz	ZEIDVTZSXGCZQR-SFHVURJKSA-N	-2	3	415.442	2.648	10	0		HFAEHL
C[C@@H]1CCc2c(sc3[n-]c(Cn4nc(C(=O)[O-])c5ccccc5c4=O)nc(=O)c23)C1	ZINC000003272556	568870580	/nfs/dbraw/zinc/87/05/80/568870580.db2.gz	GVKUGGWBFBNLRW-SNVBAGLBSA-N	-2	3	422.466	2.566	10	0		HFAEHL
O=C([O-])[C@H]1C[C@H](P(=O)([O-])[O-])CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240893	559067914	/nfs/dbraw/zinc/06/79/14/559067914.db2.gz	KIIWXTBVLUMNBM-KPZWWZAWSA-N	-3	3	417.354	2.641	10	0		HFAEHL
O=C(CSc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)Nc1nc2ccccc2s1	ZINC000100818276	558797264	/nfs/dbraw/zinc/79/72/64/558797264.db2.gz	JEZBEQOXHXBFBS-UHFFFAOYSA-N	-2	3	410.480	2.764	10	0		HFAEHL