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-])c1cc(=O)n(-c2cc(Cl)ccc2Oc2ccccc2)[n-]1	ZINC000217704792	241270035	/nfs/dbraw/zinc/27/00/35/241270035.db2.gz	ZNRTWWOJRHMMGY-UHFFFAOYSA-N	-2	1	330.727	3.722	40	0		EHABML
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1	ZINC000013341545	564019694	/nfs/dbraw/zinc/01/96/94/564019694.db2.gz	SEYJPBZBAYPKAU-GFCCVEGCSA-N	-2	1	333.409	3.699	40	0		EHABML
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1	ZINC000013341547	564019680	/nfs/dbraw/zinc/01/96/80/564019680.db2.gz	SEYJPBZBAYPKAU-LBPRGKRZSA-N	-2	1	333.409	3.699	40	0		EHABML
Cc1ccc(S(=O)(=O)[N-]c2ccc3sc(C(=O)[O-])cc3c2)cc1	ZINC000020136063	212105200	/nfs/dbraw/zinc/10/52/00/212105200.db2.gz	YZUAVDUUXXNIDW-UHFFFAOYSA-N	-2	1	347.417	3.709	40	0		EHABML
COc1cc2sc(C(=O)[O-])c(Cl)c2c(Br)c1[O-]	ZINC000228938719	563971308	/nfs/dbraw/zinc/97/13/08/563971308.db2.gz	OIRFGVWPZOCEFP-UHFFFAOYSA-N	-2	1	337.578	3.730	40	0		EHABML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ccccc2c1	ZINC000007708234	564122134	/nfs/dbraw/zinc/12/21/34/564122134.db2.gz	WLOWOULKWFEYSX-UHFFFAOYSA-N	-2	1	341.388	3.647	40	0		EHABML
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000005134508	210396509	/nfs/dbraw/zinc/39/65/09/210396509.db2.gz	HQTHLSZUOJNHQC-UHFFFAOYSA-N	-2	1	347.436	3.628	40	0		EHABML
Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C(=O)[O-]	ZINC000013348718	564136246	/nfs/dbraw/zinc/13/62/46/564136246.db2.gz	JKIAREMSOQPKIY-UHFFFAOYSA-N	-2	1	341.388	3.647	40	0		EHABML
O=C([O-])c1ccc(-n2cccc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000015013810	563772268	/nfs/dbraw/zinc/77/22/68/563772268.db2.gz	UICCXLYUYHWBCE-XYOKQWHBSA-N	-2	1	330.390	3.505	40	0		EHABML
Cc1cc(=S)[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc12	ZINC000217429222	241247898	/nfs/dbraw/zinc/24/78/98/241247898.db2.gz	MDSFUPOQINMZDB-UHFFFAOYSA-N	-2	1	330.434	3.633	40	0		EHABML