smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1OCC	ZINC000007927688	845448380	/nfs/dbraw/zinc/44/83/80/845448380.db2.gz	ZVYSKPDUYXNOJQ-UHFFFAOYSA-N	0	2	404.513	4.408	20	10		HICDLN
O=C1CCCc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc2N1	ZINC000195533834	853670268	/nfs/dbraw/zinc/67/02/68/853670268.db2.gz	FEIYEAISCGOXGQ-UHFFFAOYSA-N	0	2	417.487	4.025	20	10		HICDLN
O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1cnc(Cl)c(Cl)c1	ZINC000325493798	855404540	/nfs/dbraw/zinc/40/45/40/855404540.db2.gz	NBORNDXYIVEPOB-UHFFFAOYSA-N	0	2	404.275	4.452	20	10		HICDLN
O=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1cccc2nsnc21	ZINC000019100857	846353896	/nfs/dbraw/zinc/35/38/96/846353896.db2.gz	FUSOCZGNNHPWLE-UHFFFAOYSA-N	0	2	414.537	4.179	20	10		HICDLN
COc1ccc(-c2csc(NS(=O)(=O)c3cccc(C#N)c3)n2)cc1Cl	ZINC000302794348	854635385	/nfs/dbraw/zinc/63/53/85/854635385.db2.gz	UACYAXDTTVTWQS-UHFFFAOYSA-N	0	2	405.888	4.145	20	10		HICDLN
Cc1nc(Cl)ccc1S(=O)(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000328020156	855422037	/nfs/dbraw/zinc/42/20/37/855422037.db2.gz	MVUKHHHDBODHLG-UHFFFAOYSA-N	0	2	401.847	4.246	20	10		HICDLN
O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc(Br)cc1	ZINC000005925642	845153300	/nfs/dbraw/zinc/15/33/00/845153300.db2.gz	OYMJYIOQWYNHKU-UHFFFAOYSA-N	0	2	401.332	4.435	20	10		HICDLN
Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1	ZINC000195536712	853671243	/nfs/dbraw/zinc/67/12/43/853671243.db2.gz	XUAJFSYCQKPFLY-UHFFFAOYSA-N	0	2	413.524	4.194	20	10		HICDLN
COCCn1c(C)c(C)c2cc(C(=O)N=c3nc(-c4ccccc4)[nH]s3)ccc21	ZINC000482783903	898392690	/nfs/dbraw/zinc/39/26/90/898392690.db2.gz	WDWZLWDHGVUCRV-UHFFFAOYSA-N	0	2	406.511	4.097	20	10		HICDLN
COCCn1c(C)c(C)c2cc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)ccc21	ZINC000520966375	928892943	/nfs/dbraw/zinc/89/29/43/928892943.db2.gz	HSQREVRBIKAIEK-UHFFFAOYSA-N	0	2	412.540	4.159	20	10		HICDLN
CC(C)(C)OC(=O)NC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	ZINC000401765612	855480791	/nfs/dbraw/zinc/48/07/91/855480791.db2.gz	LHEWFCWLYMJIGS-LLVKDONJSA-N	0	2	403.228	4.244	20	10		HICDLN
O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(OC(F)F)cc1	ZINC000028977692	847486793	/nfs/dbraw/zinc/48/67/93/847486793.db2.gz	TUULICXXWHZUMI-ZSOIEALJSA-N	0	2	424.406	4.308	20	10		HICDLN
O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1	ZINC000028977676	847486798	/nfs/dbraw/zinc/48/67/98/847486798.db2.gz	QRYDLIIHGGUOML-NSIKDUERSA-N	0	2	410.835	4.499	20	10		HICDLN
O=C1/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1CCSc1ccccc1	ZINC000028976918	847486889	/nfs/dbraw/zinc/48/68/89/847486889.db2.gz	WSICDNHANLMPAV-WJDWOHSUSA-N	0	2	418.521	4.294	20	10		HICDLN
Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1cccc2nsnc21	ZINC000548977680	941137615	/nfs/dbraw/zinc/13/76/15/941137615.db2.gz	PMWBWRHQROQRNP-UHFFFAOYSA-N	0	2	400.460	4.002	20	10		HICDLN
Cc1cc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)ccc1Br	ZINC000096967714	852564571	/nfs/dbraw/zinc/56/45/71/852564571.db2.gz	QUDURRBBUQNTKL-UHFFFAOYSA-N	0	2	410.318	4.077	20	10		HICDLN
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)n2)cc1	ZINC000195533826	853670110	/nfs/dbraw/zinc/67/01/10/853670110.db2.gz	KXQQITAOTWEAGT-UHFFFAOYSA-N	0	2	413.524	4.194	20	10		HICDLN
CC(=O)Nc1cc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1C	ZINC000303916135	855288359	/nfs/dbraw/zinc/28/83/59/855288359.db2.gz	VFPSGDWEVLGUGV-UHFFFAOYSA-N	0	2	401.513	4.186	20	10		HICDLN
Cc1ccc(-c2csc(NS(=O)(=O)c3cncc(Br)c3)n2)cc1	ZINC000390681889	855456047	/nfs/dbraw/zinc/45/60/47/855456047.db2.gz	WBTRJNPIKKGILK-UHFFFAOYSA-N	0	2	410.318	4.077	20	10		HICDLN
CC(C)(C)OC(=O)NC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F	ZINC000401765613	855480514	/nfs/dbraw/zinc/48/05/14/855480514.db2.gz	LHEWFCWLYMJIGS-NSHDSACASA-N	0	2	403.228	4.244	20	10		HICDLN
O=S(=O)(Nc1nc2c(s1)CCc1ccccc1-2)c1ccccc1Br	ZINC000057689325	850696783	/nfs/dbraw/zinc/69/67/83/850696783.db2.gz	UNGBFVSLGNNMMF-UHFFFAOYSA-N	0	2	421.341	4.472	20	10		HICDLN
O=S(=O)(Nc1nc(-c2cccnc2)cs1)c1ccc(OC(F)F)c(Cl)c1	ZINC000097287270	852597714	/nfs/dbraw/zinc/59/77/14/852597714.db2.gz	YBRZHSCAISOGBT-UHFFFAOYSA-N	0	2	417.846	4.261	20	10		HICDLN
Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000517722355	926813479	/nfs/dbraw/zinc/81/34/79/926813479.db2.gz	OMSONUYXPDJFSF-UHFFFAOYSA-N	0	2	424.507	4.053	20	10		HICDLN
CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1OCC	ZINC000007927860	845448579	/nfs/dbraw/zinc/44/85/79/845448579.db2.gz	ICOJTMBTBLKBRU-UHFFFAOYSA-N	0	2	410.542	4.470	20	10		HICDLN
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1F	ZINC000195568385	853687835	/nfs/dbraw/zinc/68/78/35/853687835.db2.gz	ARBCUUHFJATOQP-UHFFFAOYSA-N	0	2	404.897	4.474	20	10		HICDLN
CCOc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(F)c3)n2)cc1	ZINC000195537161	853672262	/nfs/dbraw/zinc/67/22/62/853672262.db2.gz	OARZPJXSVWAPCJ-UHFFFAOYSA-N	0	2	408.476	4.157	20	10		HICDLN
Cc1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1-c1cccc(Cl)c1	ZINC000040945710	848199173	/nfs/dbraw/zinc/19/91/73/848199173.db2.gz	XXUGKBLIZKXALL-UHFFFAOYSA-N	0	2	409.876	4.481	20	10		HICDLN
COc1ccc(-c2csc(NS(=O)(=O)c3ccccc3OC)n2)cc1Cl	ZINC000302792374	854634292	/nfs/dbraw/zinc/63/42/92/854634292.db2.gz	KLZUNTIKOJDOBB-UHFFFAOYSA-N	0	2	410.904	4.282	20	10		HICDLN
Cc1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1	ZINC000040945905	848199224	/nfs/dbraw/zinc/19/92/24/848199224.db2.gz	XJEKJKTZOOCOCU-UHFFFAOYSA-N	0	2	409.876	4.481	20	10		HICDLN
COc1ccc(-c2csc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)n2)cc1	ZINC000327104090	855414900	/nfs/dbraw/zinc/41/49/00/855414900.db2.gz	PHNYGGPKKAMWQS-UHFFFAOYSA-N	0	2	416.311	4.321	20	10		HICDLN
COc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1Cl	ZINC000097287264	852597565	/nfs/dbraw/zinc/59/75/65/852597565.db2.gz	LCUHRDNMBMYELP-UHFFFAOYSA-N	0	2	408.888	4.165	20	10		HICDLN
Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1	ZINC000195568621	853687865	/nfs/dbraw/zinc/68/78/65/853687865.db2.gz	PVMONPJQYNOPPZ-UHFFFAOYSA-N	0	2	409.876	4.481	20	10		HICDLN
COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C#N)cc3)n2)cc1Cl	ZINC000302791456	854634781	/nfs/dbraw/zinc/63/47/81/854634781.db2.gz	FRJXRZWNYJMDQU-UHFFFAOYSA-N	0	2	405.888	4.145	20	10		HICDLN
Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1	ZINC000302794706	854635196	/nfs/dbraw/zinc/63/51/96/854635196.db2.gz	VRSPZEIHQLHKKG-UHFFFAOYSA-N	0	2	413.524	4.046	20	10		HICDLN
COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(C)=O)cc3)n2)cc1Cl	ZINC000302792093	854634264	/nfs/dbraw/zinc/63/42/64/854634264.db2.gz	JBEVJBKUGMUNML-UHFFFAOYSA-N	0	2	422.915	4.476	20	10		HICDLN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)ccc1Cl	ZINC000007505275	845349201	/nfs/dbraw/zinc/34/92/01/845349201.db2.gz	OPDWGDRFBXNWHT-UHFFFAOYSA-N	0	2	401.878	4.234	20	10		HICDLN
COCCn1c(C)c(C)c2cc(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)ccc21	ZINC000557938317	943334734	/nfs/dbraw/zinc/33/47/34/943334734.db2.gz	IMDRGJRSRZNMTP-UHFFFAOYSA-N	0	2	407.449	4.081	20	10		HICDLN