smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1C	ZINC000016183555	557470595	/nfs/dbraw/zinc/47/05/95/557470595.db2.gz	LPXDURNSEICMKK-WOJGMQOQSA-N	-2	1	436.851	4.376	50	10		IICAML
CCc1ccc(S(=O)(=O)[N-]c2cc(SCCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000008834636	569477970	/nfs/dbraw/zinc/47/79/70/569477970.db2.gz	JNYAESHEZPSMSG-UHFFFAOYSA-N	-2	1	431.535	4.475	50	10		IICAML
CCOc1ccc(S(=O)(=O)[N-]c2cc(SCCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000008870768	569480624	/nfs/dbraw/zinc/48/06/24/569480624.db2.gz	BJESOVIMAVAUGO-UHFFFAOYSA-N	-2	1	447.534	4.312	50	10		IICAML
O=C([O-])c1ccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1	ZINC000096114597	569382874	/nfs/dbraw/zinc/38/28/74/569382874.db2.gz	LPCLDRMAASOYKL-OAHLLOKOSA-N	-2	1	444.395	4.010	50	10	biogenic	IICAML
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1C	ZINC000008853432	562965186	/nfs/dbraw/zinc/96/51/86/562965186.db2.gz	LPXDURNSEICMKK-WQRHYEAKSA-N	-2	1	436.851	4.376	50	10		IICAML
CCOc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1	ZINC000002685391	562929748	/nfs/dbraw/zinc/92/97/48/562929748.db2.gz	NVOQWFABHCSZFK-UHFFFAOYSA-N	-2	1	442.522	4.014	50	10		IICAML
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)c(C)c1	ZINC000002685333	556118657	/nfs/dbraw/zinc/11/86/57/556118657.db2.gz	UFXHPIGLSASDKB-UHFFFAOYSA-N	-2	1	426.523	4.232	50	10		IICAML
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000001176395	557120088	/nfs/dbraw/zinc/12/00/88/557120088.db2.gz	NEIVFUIEOSJVNE-XDHOZWIPSA-N	-2	1	448.862	4.291	50	10		IICAML
Cc1c(Br)c([O-])c(Br)c(C)c1[N-]S(=O)(=O)c1ccccc1	ZINC000003292385	557166785	/nfs/dbraw/zinc/16/67/85/557166785.db2.gz	BDARNTHBRMJSFG-UHFFFAOYSA-N	-2	1	435.137	4.335	50	10		IICAML
O=C([O-])c1ccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c([O-])cc(-c5ccccc5)oc-4c32)cc1	ZINC000096114596	569382841	/nfs/dbraw/zinc/38/28/41/569382841.db2.gz	LPCLDRMAASOYKL-HNNXBMFYSA-N	-2	1	444.395	4.010	50	10	biogenic	IICAML
Cc1cc(S(=O)(=O)[N-]c2cc(SCCC(=O)[O-])c(O)c3ccccc23)ccc1F	ZINC000008870886	569291697	/nfs/dbraw/zinc/29/16/97/569291697.db2.gz	GOGXWCBUBCIWFG-UHFFFAOYSA-N	-2	1	435.498	4.361	50	10		IICAML
Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc([O-])c(Sc3nc[nH]n3)c2)c1C	ZINC000008859972	569479861	/nfs/dbraw/zinc/47/98/61/569479861.db2.gz	HFCBRGGGUDOHCQ-UHFFFAOYSA-N	-2	1	432.571	4.377	50	10		IICAML
CCc1ccc(S(=O)(=O)[N-]c2cc(S[C@H](C)C(=O)[O-])c(O)c3ccccc23)cc1	ZINC000008835917	569477959	/nfs/dbraw/zinc/47/79/59/569477959.db2.gz	SSNVKVNCGLUBFR-CYBMUJFWSA-N	-2	1	431.535	4.474	50	10		IICAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1C	ZINC000008683953	562962099	/nfs/dbraw/zinc/96/20/99/562962099.db2.gz	NONUKFOJUHFZAO-UHFFFAOYSA-N	-2	1	431.535	4.448	50	10		IICAML
CCc1ccc(S(=O)(=O)[N-]c2cc(S[C@@H](C)C(=O)[O-])c(O)c3ccccc23)cc1	ZINC000008834635	569477948	/nfs/dbraw/zinc/47/79/48/569477948.db2.gz	SSNVKVNCGLUBFR-ZDUSSCGKSA-N	-2	1	431.535	4.474	50	10		IICAML
O=S(=O)([N-]c1cc(Br)c([O-])c(Br)c1)c1ccc(Cl)cc1	ZINC000000851476	557830866	/nfs/dbraw/zinc/83/08/66/557830866.db2.gz	SIKVJHPMHRHRAD-UHFFFAOYSA-N	-2	1	441.528	4.371	50	10		IICAML