smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@H]2C	ZINC001164857965	721023954	/nfs/dbraw/zinc/02/39/54/721023954.db2.gz	DQVAJWIGSMREFY-NSHDSACASA-N	-1	1	428.871	2.991	20	0		IFADMM
CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cccc(Cl)c2[O-])c1	ZINC000550105741	450603290	/nfs/dbraw/zinc/60/32/90/450603290.db2.gz	ACZAFPIKANYZQM-UHFFFAOYSA-N	-1	1	448.950	2.886	20	0		IFADMM
C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000023078770	563026926	/nfs/dbraw/zinc/02/69/26/563026926.db2.gz	FCMYZNFDWHNUCJ-DYVFJYSZSA-N	-1	1	428.514	2.966	20	0		IFADMM
C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000023078775	563026941	/nfs/dbraw/zinc/02/69/41/563026941.db2.gz	FCMYZNFDWHNUCJ-SUMWQHHRSA-N	-1	1	428.514	2.966	20	0		IFADMM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904687	721567892	/nfs/dbraw/zinc/56/78/92/721567892.db2.gz	FIGNIUZRMYEXJJ-GXTWGEPZSA-N	-1	1	442.825	2.854	20	0		IFADMM
CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nnc1C(=O)[O-])[C@@H]2C	ZINC001164857964	721023284	/nfs/dbraw/zinc/02/32/84/721023284.db2.gz	DQVAJWIGSMREFY-LLVKDONJSA-N	-1	1	428.871	2.991	20	0		IFADMM
CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1	ZINC000021707147	519895667	/nfs/dbraw/zinc/89/56/67/519895667.db2.gz	BUOSHAQIWOWNKH-SFHVURJKSA-N	-1	1	429.542	2.866	20	0		IFADMM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164904691	721567780	/nfs/dbraw/zinc/56/77/80/721567780.db2.gz	FIGNIUZRMYEXJJ-OCCSQVGLSA-N	-1	1	442.825	2.854	20	0		IFADMM
S=c1nc2[n-]cnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c-2s1	ZINC001164960000	722058920	/nfs/dbraw/zinc/05/89/20/722058920.db2.gz	CEHISSBZNVYMJV-UHFFFAOYSA-N	-1	1	428.587	2.889	20	0		IFADMM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-c4nnc5n4CCCCC5)cc3)cc2o1	ZINC000006498553	562946889	/nfs/dbraw/zinc/94/68/89/562946889.db2.gz	CNXZBVFXBIHCNH-UHFFFAOYSA-N	-1	1	425.470	2.907	20	0		IFADMM
C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000023078772	563026996	/nfs/dbraw/zinc/02/69/96/563026996.db2.gz	FCMYZNFDWHNUCJ-GUYCJALGSA-N	-1	1	428.514	2.966	20	0		IFADMM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164904693	721567999	/nfs/dbraw/zinc/56/79/99/721567999.db2.gz	FIGNIUZRMYEXJJ-TZMCWYRMSA-N	-1	1	442.825	2.854	20	0		IFADMM
CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C1	ZINC000021707145	519889734	/nfs/dbraw/zinc/88/97/34/519889734.db2.gz	BUOSHAQIWOWNKH-GOSISDBHSA-N	-1	1	429.542	2.866	20	0		IFADMM
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1	ZINC000017166875	563021432	/nfs/dbraw/zinc/02/14/32/563021432.db2.gz	PAEHENISPQIOHJ-ZIAGYGMSSA-N	-1	1	428.514	2.775	20	0		IFADMM
C[C@H]1C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1	ZINC000017166881	563021437	/nfs/dbraw/zinc/02/14/37/563021437.db2.gz	PAEHENISPQIOHJ-KBPBESRZSA-N	-1	1	428.514	2.775	20	0		IFADMM
O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904689	721568228	/nfs/dbraw/zinc/56/82/28/721568228.db2.gz	FIGNIUZRMYEXJJ-JSGCOSHPSA-N	-1	1	442.825	2.854	20	0		IFADMM
C[C@@H]1C[C@H](C)CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)C1	ZINC000017166879	563021441	/nfs/dbraw/zinc/02/14/41/563021441.db2.gz	PAEHENISPQIOHJ-OKILXGFUSA-N	-1	1	428.514	2.775	20	0		IFADMM
C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000023078773	563026981	/nfs/dbraw/zinc/02/69/81/563026981.db2.gz	FCMYZNFDWHNUCJ-CXAGYDPISA-N	-1	1	428.514	2.966	20	0		IFADMM