smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)[N-]c1ccc(NS(=O)(=O)N(C)C)cc1S(=O)(=O)c1ccccc1	ZINC000002260655	194158921	/nfs/dbraw/zinc/15/89/21/194158921.db2.gz	ZBWBWFYKMWYFSN-UHFFFAOYSA-N	-1	3	462.575	0.956	50	10		JCCAHM
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)[nH]c(=O)[n-]c4=O)CC3)CC2)cc1	ZINC000004794127	524408365	/nfs/dbraw/zinc/40/83/65/524408365.db2.gz	DSHGGILAOOTBGD-UHFFFAOYSA-N	-1	3	491.570	0.130	50	10		JCCAHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)COC(C)=O)C[C@@H]3O	ZINC000008445508	554594850	/nfs/dbraw/zinc/59/48/50/554594850.db2.gz	HKNGLRVIYRYQHU-MYODQAERSA-N	-1	3	456.403	0.725	50	10	in-vitro	JCCAHM
NC(=O)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	ZINC000015218520	555884808	/nfs/dbraw/zinc/88/48/08/555884808.db2.gz	NHXZIQDBDDRLNV-WOYCLPQFSA-N	-1	3	454.395	0.449	50	10		JCCAHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@](O)(C(=O)COC(C)=O)C[C@@H]3O	ZINC000043764380	569838674	/nfs/dbraw/zinc/83/86/74/569838674.db2.gz	HKNGLRVIYRYQHU-DAOPMYJZSA-N	-1	3	456.403	0.725	50	10		JCCAHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)COC(C)=O)C[C@H]3O	ZINC000096556991	569740923	/nfs/dbraw/zinc/74/09/23/569740923.db2.gz	HKNGLRVIYRYQHU-SPSFWMDKSA-N	-1	3	456.403	0.725	50	10		JCCAHM
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@](O)(C(=O)COC(C)=O)C[C@H]3O	ZINC000096556992	569740897	/nfs/dbraw/zinc/74/08/97/569740897.db2.gz	HKNGLRVIYRYQHU-SFDCACGMSA-N	-1	3	456.403	0.725	50	10		JCCAHM
NC(=O)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	ZINC000100090059	569752742	/nfs/dbraw/zinc/75/27/42/569752742.db2.gz	NHXZIQDBDDRLNV-OPOADAIRSA-N	-1	3	454.395	0.449	50	10		JCCAHM
COc1ccc(N2CCN(Cc3coc(=O)c(CN4CCN(S(C)(=O)=O)CC4)c3[O-])CC2)cc1	ZINC000101373993	569795033	/nfs/dbraw/zinc/79/50/33/569795033.db2.gz	RVYBPEPIOXMDGY-UHFFFAOYSA-N	-1	3	492.598	0.753	50	10		JCCAHM
COc1ccc(N2CCN(Cc3coc([O-])c(CN4CCN(S(C)(=O)=O)CC4)c3=O)CC2)cc1	ZINC000101373993	569795032	/nfs/dbraw/zinc/79/50/32/569795032.db2.gz	RVYBPEPIOXMDGY-UHFFFAOYSA-N	-1	3	492.598	0.753	50	10		JCCAHM
NC(=O)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21	ZINC000102992793	569830859	/nfs/dbraw/zinc/83/08/59/569830859.db2.gz	NHXZIQDBDDRLNV-WCLQXYBISA-N	-1	3	454.395	0.449	50	10		JCCAHM
NC(=O)C[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2[O-])[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21	ZINC000169684064	569871258	/nfs/dbraw/zinc/87/12/58/569871258.db2.gz	NHXZIQDBDDRLNV-LHUKNYEISA-N	-1	3	454.395	0.449	50	10		JCCAHM
CN1CCN2c3ccc(C=C4C(=O)[N-]C(=O)N(C)C4=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	ZINC000245327772	570065462	/nfs/dbraw/zinc/06/54/62/570065462.db2.gz	QVXGRVDKXSNWIX-XBNGYDHASA-N	-1	3	494.508	0.332	50	10		JCCAHM