smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1oc2c(cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc23)c1C(=O)[O-]	ZINC000001926428	557296755	/nfs/dbraw/zinc/29/67/55/557296755.db2.gz	OQXUIUNBABXDGZ-UHFFFAOYSA-N	-2	1	423.490	5.319	50	0		HKAAML
Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)c1C(=O)[O-]	ZINC000002184800	557323935	/nfs/dbraw/zinc/32/39/35/557323935.db2.gz	SKHQMXNBWXUVIS-UHFFFAOYSA-N	-2	1	415.854	5.047	50	0		HKAAML
Cc1cccc(Nc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2C(=O)[O-])c1C	ZINC000002317086	569373218	/nfs/dbraw/zinc/37/32/18/569373218.db2.gz	GQQYNEONBKCSAB-UHFFFAOYSA-N	-2	1	407.310	5.057	50	0		HKAAML
Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc23)c1C(=O)[O-]	ZINC000003656696	557496905	/nfs/dbraw/zinc/49/69/05/557496905.db2.gz	QSVJWIOWKPVQDH-UHFFFAOYSA-N	-2	1	423.490	5.517	50	0		HKAAML
Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3C)c3ccccc23)c1C(=O)[O-]	ZINC000005234929	560548262	/nfs/dbraw/zinc/54/82/62/560548262.db2.gz	HHFRQSJMXZLJJV-UHFFFAOYSA-N	-2	1	409.463	5.010	50	0		HKAAML
O=C([O-])c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCC5)o2)cc1	ZINC000005728926	557671322	/nfs/dbraw/zinc/67/13/22/557671322.db2.gz	RMFMKWOEMDKMPQ-UHFFFAOYSA-N	-2	1	406.463	5.291	50	0		HKAAML
O=C([O-])c1cccc(Oc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)c1	ZINC000009356485	571251316	/nfs/dbraw/zinc/25/13/16/571251316.db2.gz	IJDJDSMZKCDQTC-UHFFFAOYSA-N	-2	1	419.458	5.131	50	0		HKAAML
O=C([O-])c1ccccc1Sc1c([O-])cc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000019801280	558285635	/nfs/dbraw/zinc/28/56/35/558285635.db2.gz	SQTJYPQVUHOFMI-UHFFFAOYSA-N	-2	1	415.470	5.060	50	0		HKAAML
CC(C)c1cc(C(C)C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C(C)C)c1	ZINC000032601566	568509767	/nfs/dbraw/zinc/50/97/67/568509767.db2.gz	RWUMNKWWLINEMN-UHFFFAOYSA-N	-2	1	403.544	5.556	50	0		HKAAML
O=C([O-])Cc1c(-c2ccccc2)oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000524731081	559178426	/nfs/dbraw/zinc/17/84/26/559178426.db2.gz	JRLUNTAJVFGHAJ-UHFFFAOYSA-N	-2	1	412.397	5.206	50	0	biogenic	HKAAML