smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)Cc1csc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159478115	565208027	/nfs/dbraw/zinc/20/80/27/565208027.db2.gz	WWJAEUZFSIAKQJ-UHFFFAOYSA-N	0	2	392.861	3.150	10	70		GGIELN
Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C3CC3)nc2)c(Cl)cc1F	ZINC000159651159	565214009	/nfs/dbraw/zinc/21/40/09/565214009.db2.gz	AYJHYFJPEFXORC-UHFFFAOYSA-N	0	2	383.832	3.332	10	70		GGIELN
CCCCc1cc(NS(=O)(=O)c2cc(Br)ccc2OC)[nH]n1	ZINC000159956936	565225126	/nfs/dbraw/zinc/22/51/26/565225126.db2.gz	DBRQMUHLHGTIOD-UHFFFAOYSA-N	0	2	388.287	3.324	10	70		GGIELN
Cc1ccc(Br)cc1NC(=O)CNC(=O)c1c(O)cc(F)cc1F	ZINC000160318702	565240142	/nfs/dbraw/zinc/24/01/42/565240142.db2.gz	TYSJYHKVQJPKEB-UHFFFAOYSA-N	0	2	399.191	3.110	10	70		GGIELN
COc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3Cl)c2C)c(C)n1	ZINC000160678771	570341020	/nfs/dbraw/zinc/34/10/20/570341020.db2.gz	URJUMNQGKGVASU-UHFFFAOYSA-N	0	2	392.868	3.347	10	70		GGIELN
CCOC(=O)c1csc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159483561	565208288	/nfs/dbraw/zinc/20/82/88/565208288.db2.gz	KBEPVDLRZKFBEB-UHFFFAOYSA-N	0	2	378.834	3.222	10	70		GGIELN
CCCn1nccc1NS(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000160100128	565230451	/nfs/dbraw/zinc/23/04/51/565230451.db2.gz	SPYWYXHHPVRIEG-UHFFFAOYSA-N	0	2	380.214	3.135	10	70		GGIELN
CCCCn1ncc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C	ZINC000160183456	565233850	/nfs/dbraw/zinc/23/38/50/565233850.db2.gz	RKBNGZHJDYBWAI-UHFFFAOYSA-N	0	2	385.873	3.217	10	70		GGIELN
Cc1c(Cl)cc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1Cl	ZINC000160096592	565230298	/nfs/dbraw/zinc/23/02/98/565230298.db2.gz	IPCHEWQXJWQEGB-UHFFFAOYSA-N	0	2	384.248	3.078	10	70		GGIELN
CCc1noc(C)c1NS(=O)(=O)c1cc(F)c(Br)cc1F	ZINC000160325608	565239809	/nfs/dbraw/zinc/23/98/09/565239809.db2.gz	RSRQQIDGLILROX-UHFFFAOYSA-N	0	2	381.198	3.387	10	70		GGIELN
Cc1cc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n(-c2ccccn2)n1	ZINC000159489292	565208197	/nfs/dbraw/zinc/20/81/97/565208197.db2.gz	LPGMTXRNQAVXCZ-UHFFFAOYSA-N	0	2	380.832	3.477	10	70		GGIELN
COC(=O)c1sc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)nc1C	ZINC000159541116	565209552	/nfs/dbraw/zinc/20/95/52/565209552.db2.gz	PFNWCHPITPSXHG-UHFFFAOYSA-N	0	2	378.834	3.140	10	70		GGIELN
CCCn1nccc1NS(=O)(=O)c1ccc(OCC)c(Br)c1	ZINC000160624202	565253043	/nfs/dbraw/zinc/25/30/43/565253043.db2.gz	MYOMJFPUWNFNRT-UHFFFAOYSA-N	0	2	388.287	3.255	10	70		GGIELN
CC(C)c1ccc(/C=C/CC(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1	ZINC000160926341	565264275	/nfs/dbraw/zinc/26/42/75/565264275.db2.gz	DXOOXQXJSNJWNB-SNAWJCMRSA-N	0	2	380.495	3.075	10	70		GGIELN
CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c1C	ZINC000160149802	565233050	/nfs/dbraw/zinc/23/30/50/565233050.db2.gz	DCXGCKFLCLHWGF-UHFFFAOYSA-N	0	2	385.873	3.232	10	70		GGIELN
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cn1	ZINC000160961690	565266548	/nfs/dbraw/zinc/26/65/48/565266548.db2.gz	TZEANQSUKRQAHN-UHFFFAOYSA-N	0	2	379.196	3.115	10	70		GGIELN
COc1ccc(Br)cc1S(=O)(=O)Nc1cc(O)cc(F)c1	ZINC000161301026	565280253	/nfs/dbraw/zinc/28/02/53/565280253.db2.gz	FATVPAIBSUQQLJ-UHFFFAOYSA-N	0	2	376.203	3.103	10	70		GGIELN