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(NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21)c1csc(N2CCOCC2)n1	ZINC000012803599	1066854989	/nfs/dbraw/zinc/85/49/89/1066854989.db2.gz	LETZCKHTSXORRS-UHFFFAOYSA-N	0	2	500.005	3.985	20	0		KHADLN
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000514291308	1066361975	/nfs/dbraw/zinc/36/19/75/1066361975.db2.gz	DDDRMXXLTGANGG-HDICACEKSA-N	0	2	587.724	3.822	20	0		KHADLN
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000514291312	1066361860	/nfs/dbraw/zinc/36/18/60/1066361860.db2.gz	DDDRMXXLTGANGG-QZTJIDSGSA-N	0	2	587.724	3.822	20	0		KHADLN
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000514291313	1066362050	/nfs/dbraw/zinc/36/20/50/1066362050.db2.gz	DDDRMXXLTGANGG-ROUUACIJSA-N	0	2	587.724	3.822	20	0		KHADLN
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc1)n2CC	ZINC000514293514	1066336951	/nfs/dbraw/zinc/33/69/51/1066336951.db2.gz	RMXKLVIPYIFXRP-UHFFFAOYSA-N	0	2	613.766	3.866	20	0		KHADLN
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2OC)cc1Cl	ZINC000514295242	1066341036	/nfs/dbraw/zinc/34/10/36/1066341036.db2.gz	AQGATUDPKDWLSU-UHFFFAOYSA-N	0	2	501.001	3.712	20	0		KHADLN
CCCCn1c2nc(CCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n(CC(C)C)c2c(=O)[nH]c1=O	ZINC000514296645	1066347998	/nfs/dbraw/zinc/34/79/98/1066347998.db2.gz	OKHAVTKIVJBGLK-UHFFFAOYSA-N	0	2	573.701	3.583	20	0		KHADLN
CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)cc1	ZINC000514298113	1066350799	/nfs/dbraw/zinc/35/07/99/1066350799.db2.gz	YENUAGTYGNZGON-UHFFFAOYSA-N	0	2	538.464	3.589	20	0		KHADLN
O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3OCC(F)(F)F)cc2o1	ZINC000514300478	1066369631	/nfs/dbraw/zinc/36/96/31/1066369631.db2.gz	WCJONCLGFOWCRS-UHFFFAOYSA-N	0	2	549.549	3.840	20	0		KHADLN
CCCCn1c(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21	ZINC000514377898	1066390816	/nfs/dbraw/zinc/39/08/16/1066390816.db2.gz	NTIZPCRAEQRNJO-UHFFFAOYSA-N	0	2	613.766	3.866	20	0		KHADLN
COC(=O)CCCCCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1	ZINC000514390348	1066434880	/nfs/dbraw/zinc/43/48/80/1066434880.db2.gz	GYBNNUXPTCDUOB-UHFFFAOYSA-N	0	2	529.011	3.630	20	0		KHADLN
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCCOCC3CC3)ccc2OC)cc1Cl	ZINC000514390636	1066441154	/nfs/dbraw/zinc/44/11/54/1066441154.db2.gz	RJQCSTKVJZLYGI-UHFFFAOYSA-N	0	2	513.012	3.713	20	0		KHADLN
CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1OC	ZINC000514391307	1066442755	/nfs/dbraw/zinc/44/27/55/1066442755.db2.gz	GMDWROFOGLEYOR-UHFFFAOYSA-N	0	2	526.681	3.697	20	0		KHADLN
COc1cc(NS(=O)(=O)c2cc(C(=O)NCCCOC3CCCCC3)ccc2OC)cc(OC)c1	ZINC000514401283	1066449968	/nfs/dbraw/zinc/44/99/68/1066449968.db2.gz	ROZOXQHJYMLLNM-UHFFFAOYSA-N	0	2	506.621	3.982	20	0		KHADLN
COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](c4nnc5n4CCCCC5)C3)ccc2OC)cc(OC)c1	ZINC000514403002	1066458202	/nfs/dbraw/zinc/45/82/02/1066458202.db2.gz	VQBGFSLPUGZWBX-FQEVSTJZSA-N	0	2	569.684	3.851	20	0		KHADLN
COc1cc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](c4nnc5n4CCCCC5)C3)ccc2OC)cc(OC)c1	ZINC000514403003	1066458095	/nfs/dbraw/zinc/45/80/95/1066458095.db2.gz	VQBGFSLPUGZWBX-HXUWFJFHSA-N	0	2	569.684	3.851	20	0		KHADLN
CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn43)cn2)C1	ZINC001187106736	1066532205	/nfs/dbraw/zinc/53/22/05/1066532205.db2.gz	ZEGPRHQUSTXOQS-CYBMUJFWSA-N	0	2	500.002	3.633	20	0		KHADLN