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(Br)cc(S(=O)(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c1F	ZINC001318245928	1066981550	/nfs/dbraw/zinc/98/15/50/1066981550.db2.gz	RUYTYAFDPQHVHU-UHFFFAOYSA-N	-1	2	485.262	4.414	20	0		JIADLM
O=S(=O)([O-])c1cc(O)c(NS(=O)(=O)c2ccc(Cl)c3ccccc32)c2ccccc21	ZINC001200133226	1067721580	/nfs/dbraw/zinc/72/15/80/1067721580.db2.gz	XNPKABNQPSGTLW-UHFFFAOYSA-N	-1	2	463.920	4.400	20	0		JIADLM
COc1ccc(Br)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC001327152855	1066311839	/nfs/dbraw/zinc/31/18/39/1066311839.db2.gz	JGEMPBAQZIPRKB-UHFFFAOYSA-N	-1	2	455.113	4.264	20	0		JIADLM
CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1c(C)cc(C)cc1S(=O)(=O)[O-]	ZINC001200310448	1068043663	/nfs/dbraw/zinc/04/36/63/1068043663.db2.gz	MSWLJCUFTVXXJO-UHFFFAOYSA-N	-1	2	455.598	4.437	20	0		JIADLM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC001317736109	1066656192	/nfs/dbraw/zinc/65/61/92/1066656192.db2.gz	NUHABKUSLYRNRX-HZPDHXFCSA-N	-1	2	486.443	4.251	20	0		JIADLM
CCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1S(=O)(=O)[O-]	ZINC001200297858	1068014658	/nfs/dbraw/zinc/01/46/58/1068014658.db2.gz	DXVSWYNCSLDPAR-UHFFFAOYSA-N	-1	2	461.989	4.474	20	0		JIADLM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC001317736110	1066656156	/nfs/dbraw/zinc/65/61/56/1066656156.db2.gz	NUHABKUSLYRNRX-JKSUJKDBSA-N	-1	2	486.443	4.251	20	0		JIADLM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC001317736094	1066655428	/nfs/dbraw/zinc/65/54/28/1066655428.db2.gz	NUHABKUSLYRNRX-CVEARBPZSA-N	-1	2	486.443	4.251	20	0		JIADLM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC001317736099	1066655389	/nfs/dbraw/zinc/65/53/89/1066655389.db2.gz	NUHABKUSLYRNRX-HOTGVXAUSA-N	-1	2	486.443	4.251	20	0		JIADLM