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(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)NC3C=NC(=O)[N-]C3=O)cc1)C2=O	ZINC000002924913	552222563	/nfs/dbraw/zinc/22/25/63/552222563.db2.gz	DMBKGOQZSZVXFK-UHFFFAOYSA-N	-2	3	529.425	-0.255	50	0		KBAAHL
O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3c[nH]c(=O)[n-]c3=O)C4=O)cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000003037864	552271951	/nfs/dbraw/zinc/27/19/51/552271951.db2.gz	MPFTUHNZJFZILO-UHFFFAOYSA-N	-2	3	512.394	-0.292	50	0		KBAAHL
O=C(c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[n-]c1=O)C2=O)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[n-]c1=O)C2=O	ZINC000003037868	552272006	/nfs/dbraw/zinc/27/20/06/552272006.db2.gz	MIKKMDSIGLQDDO-UHFFFAOYSA-N	-2	3	540.404	-0.728	50	0		KBAAHL
O=C1c2ccc(-c3ccc4c(c3)C(=O)N(c3c[nH]c(=O)[n-]c3=O)C4=O)cc2C(=O)N1c1cc(=O)[n-]c(=O)[nH]1	ZINC000003142878	552295322	/nfs/dbraw/zinc/29/53/22/552295322.db2.gz	IJMRTARAWPEZTH-UHFFFAOYSA-N	-2	3	512.394	-0.292	50	0		KBAAHL
O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(c3c[nH]c(=O)[n-]c3=O)C4=O)cc2C(=O)N1c1c[nH]c(=O)[n-]c1=O	ZINC000003142884	552295342	/nfs/dbraw/zinc/29/53/42/552295342.db2.gz	WGFHZYPEMGQMRU-UHFFFAOYSA-N	-2	3	528.393	-0.167	50	0		KBAAHL
O=C(Nc1c[nH]c(=O)[n-]c1=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)NC3C=NC(=O)[N-]C3=O)c1)C2=O	ZINC000003143008	552295430	/nfs/dbraw/zinc/29/54/30/552295430.db2.gz	REIZYGOELSGEIG-UHFFFAOYSA-N	-2	3	529.425	-0.255	50	0		KBAAHL
NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3CC(=O)[O-])CS[C@H]12	ZINC000003830434	552418967	/nfs/dbraw/zinc/41/89/67/552418967.db2.gz	SLAYUXIURFNXPG-CRAIPNDOSA-N	-2	3	519.565	-0.710	50	0	world	KBAAHL
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)c2ccc([N-]S(=O)(=O)C3C(=O)[N-]C(=O)N=C3C)cc2)cc1	ZINC000004194744	552447886	/nfs/dbraw/zinc/44/78/86/552447886.db2.gz	DVAIYSZTXVOUQZ-UHFFFAOYSA-N	-3	3	624.635	-0.509	50	0		KBAAHL
COc1cccc(C(c2c(N)nc(SCC(N)=O)[n-]c2=O)c2c(N)nc(SCC(N)=O)[n-]c2=O)c1	ZINC000008426374	553018163	/nfs/dbraw/zinc/01/81/63/553018163.db2.gz	QBRNBYNXHVQTTR-UHFFFAOYSA-N	-2	3	518.581	-0.639	50	0		KBAAHL
O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-])O2)cc1Br	ZINC000060291582	554505195	/nfs/dbraw/zinc/50/51/95/554505195.db2.gz	BLQCQNFLEGAHPA-ACZMJKKPSA-N	-5	3	547.037	-0.709	50	0		KBAAHL
C[N-]S(=O)(=O)c1cc([N-]S(C)(=O)=O)ccc1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1S(=O)(=O)N(C)C	ZINC000102219792	554898633	/nfs/dbraw/zinc/89/86/33/554898633.db2.gz	JTFNJEKSRCOATF-UHFFFAOYSA-N	-3	3	604.732	-0.579	50	0		KBAAHL
CNS(=O)(=O)c1cc([N-]S(C)(=O)=O)ccc1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1S(=O)(=O)N(C)C	ZINC000102219792	554898632	/nfs/dbraw/zinc/89/86/32/554898632.db2.gz	JTFNJEKSRCOATF-UHFFFAOYSA-N	-2	3	604.732	-0.579	50	0		KBAAHL
O=c1[n-]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000104847450	571386917	/nfs/dbraw/zinc/38/69/17/571386917.db2.gz	IOQIJUVWFDSKFZ-GIMIYPNGSA-N	-4	3	507.083	-0.860	50	0		KBAAHL