smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c2ccccc12	ZINC000031903949	820872825	/nfs/dbraw/zinc/87/28/25/820872825.db2.gz	ZPQDMAFULXQOHL-UHFFFAOYSA-N	-2	1	385.441	4.128	50	0		GIAAML
CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000013278888	570752469	/nfs/dbraw/zinc/75/24/69/570752469.db2.gz	WXGSOVZPMAIDLV-UHFFFAOYSA-N	-2	1	379.503	4.205	50	0		GIAAML
CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-]	ZINC000033253368	570861166	/nfs/dbraw/zinc/86/11/66/570861166.db2.gz	FXXJQBXQQDRZKS-UHFFFAOYSA-N	-2	1	396.896	4.075	50	0		GIAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1Cl	ZINC000057996726	570375452	/nfs/dbraw/zinc/37/54/52/570375452.db2.gz	ZOORJXDEXYZQJF-UHFFFAOYSA-N	-2	1	380.636	4.146	50	0		GIAAML
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C	ZINC000033253930	570861700	/nfs/dbraw/zinc/86/17/00/570861700.db2.gz	LYFKXZHJFSLJHZ-UHFFFAOYSA-N	-2	1	390.505	4.120	50	0		GIAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000033253846	570862001	/nfs/dbraw/zinc/86/20/01/570862001.db2.gz	HYLVYWUIFCTUDH-UHFFFAOYSA-N	-2	1	390.505	4.039	50	0		GIAAML
CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c2ccccc12	ZINC000011613994	204347751	/nfs/dbraw/zinc/34/77/51/204347751.db2.gz	QXBDGKFPZRCAJV-UHFFFAOYSA-N	-2	1	385.441	4.128	50	0		GIAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1	ZINC000005134962	204113637	/nfs/dbraw/zinc/11/36/37/204113637.db2.gz	WJJUTIVYOCWDIG-UHFFFAOYSA-N	-2	1	381.453	4.172	50	0		GIAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1C	ZINC000033253845	570862005	/nfs/dbraw/zinc/86/20/05/570862005.db2.gz	SETPJMFXJVNNAQ-UHFFFAOYSA-N	-2	1	390.505	4.039	50	0		GIAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1	ZINC000033253847	570861772	/nfs/dbraw/zinc/86/17/72/570861772.db2.gz	NKZMANPLRWWENC-UHFFFAOYSA-N	-2	1	390.505	4.039	50	0		GIAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1Cl	ZINC000013340184	570838401	/nfs/dbraw/zinc/83/84/01/570838401.db2.gz	IVFJLVVOYHIANN-UHFFFAOYSA-N	-2	1	380.636	4.146	50	0		GIAAML
CCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1	ZINC000033254054	570861877	/nfs/dbraw/zinc/86/18/77/570861877.db2.gz	NZBSVHBIVCVUPY-UHFFFAOYSA-N	-2	1	390.505	4.155	50	0		GIAAML
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1	ZINC000013346001	570896030	/nfs/dbraw/zinc/89/60/30/570896030.db2.gz	NTXUITMAUQEERB-NTCAYCPXSA-N	-2	1	379.437	4.252	50	0		GIAAML
CCC(=O)[N-]C([N-]c1ncc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F	ZINC000019944291	207173111	/nfs/dbraw/zinc/17/31/11/207173111.db2.gz	XFTVPIYCWUOTOE-UHFFFAOYSA-N	-2	1	384.107	4.147	50	0		GIAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OC3CCCC3)c2)ccc1Cl	ZINC000028259920	207339031	/nfs/dbraw/zinc/33/90/31/207339031.db2.gz	FRRSHICMCKYWCW-UHFFFAOYSA-N	-2	1	395.864	4.160	50	0		GIAAML
O=C([O-])c1sccc1Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000008857289	570542916	/nfs/dbraw/zinc/54/29/16/570542916.db2.gz	KIGBPJPOWUVYEE-UHFFFAOYSA-N	-2	1	393.417	4.179	50	0		GIAAML
O=C([O-])c1ccc(CNCc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1	ZINC000012390253	570652259	/nfs/dbraw/zinc/65/22/59/570652259.db2.gz	DKGZSKUZIHIKDM-UHFFFAOYSA-N	-2	1	385.803	4.286	50	0		GIAAML
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1-c1ccc(C(=O)[O-])o1	ZINC000226352894	231037181	/nfs/dbraw/zinc/03/71/81/231037181.db2.gz	DKZHLGLXWRWCNU-UHFFFAOYSA-N	-2	1	391.832	4.407	50	0		GIAAML
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000033253922	570403551	/nfs/dbraw/zinc/40/35/51/570403551.db2.gz	WDBUWKCDXWXGDI-UHFFFAOYSA-N	-2	1	390.505	4.120	50	0		GIAAML
Cc1oc2c(cc([N-]S(=O)(=O)c3ccccc3)c3ccccc23)c1C(=O)[O-]	ZINC000005516199	570623664	/nfs/dbraw/zinc/62/36/64/570623664.db2.gz	SYYUGSRXHAMVJC-UHFFFAOYSA-N	-2	1	381.409	4.393	50	0		GIAAML
O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1	ZINC000096747893	206301937	/nfs/dbraw/zinc/30/19/37/206301937.db2.gz	NTXUITMAUQEERB-QINSGFPZSA-N	-2	1	379.437	4.252	50	0		GIAAML
Cc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1OCCCC(=O)[O-]	ZINC000058248080	570723338	/nfs/dbraw/zinc/72/33/38/570723338.db2.gz	GSEMDBBUYOLOMZ-UHFFFAOYSA-N	-2	1	399.468	4.193	50	0		GIAAML
COc1ccc(Cl)cc1-c1n[n-]c(=S)n1Cc1cccc(C(=O)[O-])c1	ZINC000013687969	570774701	/nfs/dbraw/zinc/77/47/01/570774701.db2.gz	XHRVNLIVYXOMIE-UHFFFAOYSA-N	-2	1	375.837	4.016	50	0		GIAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1	ZINC000006604467	570495724	/nfs/dbraw/zinc/49/57/24/570495724.db2.gz	UINPJJFJCGKYHS-UHFFFAOYSA-N	-2	1	381.453	4.172	50	0		GIAAML
CCCCOc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1Cl	ZINC000011613986	570576447	/nfs/dbraw/zinc/57/64/47/570576447.db2.gz	BITXNNZKYCIQHS-UHFFFAOYSA-N	-2	1	383.853	4.018	50	0		GIAAML
CCCCCc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000007813988	817922966	/nfs/dbraw/zinc/92/29/66/817922966.db2.gz	CPCZZMGBVHAVCU-UHFFFAOYSA-N	-2	1	375.490	4.237	50	0		GIAAML
O=C([O-])c1ccc2ncc(C(=O)[O-])c(Nc3ccc(Br)cc3)c2c1	ZINC000005510857	570621902	/nfs/dbraw/zinc/62/19/02/570621902.db2.gz	UTEJJUHMAFSRTP-UHFFFAOYSA-N	-2	1	387.189	4.137	50	0		GIAAML
Cc1sc2[n-]c(=S)n([N-]C(=O)c3ccco3)c(=O)c2c1-c1ccccc1	ZINC000017078297	210202165	/nfs/dbraw/zinc/20/21/65/210202165.db2.gz	ASOSHVBBYCURSK-UHFFFAOYSA-N	-2	1	383.454	4.073	50	0		GIAAML
CCOc1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(Cl)c1[O-]	ZINC000096767160	520615717	/nfs/dbraw/zinc/61/57/17/520615717.db2.gz	QEBCZGJFORHNRL-NTEUORMPSA-N	-2	1	397.814	4.187	50	0		GIAAML
CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C	ZINC000033254009	570862028	/nfs/dbraw/zinc/86/20/28/570862028.db2.gz	XGZNNFJZXMVGQF-UHFFFAOYSA-N	-2	1	390.505	4.120	50	0		GIAAML
CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000033254000	570862042	/nfs/dbraw/zinc/86/20/42/570862042.db2.gz	XHDTYXLHHSNFNT-UHFFFAOYSA-N	-2	1	390.505	4.120	50	0		GIAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1	ZINC000006919744	209708172	/nfs/dbraw/zinc/70/81/72/209708172.db2.gz	SDBMEVXIESBMJD-UHFFFAOYSA-N	-2	1	395.480	4.095	50	0		GIAAML
CCCc1cc(=O)[n-]c(SCc2c(C(=O)[O-])sc3cccc(F)c32)n1	ZINC000012985892	570408298	/nfs/dbraw/zinc/40/82/98/570408298.db2.gz	TUYSCNKFPTWEER-UHFFFAOYSA-N	-2	1	378.450	4.067	50	0		GIAAML
CCCOc1ccc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc2c1	ZINC000011613982	221118325	/nfs/dbraw/zinc/11/83/25/221118325.db2.gz	CXGJVZAHQVOLAT-UHFFFAOYSA-N	-2	1	385.441	4.128	50	0		GIAAML
Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000013059960	221259520	/nfs/dbraw/zinc/25/95/20/221259520.db2.gz	WTBRUQAPKXLOJI-UHFFFAOYSA-N	-2	1	382.441	4.238	50	0		GIAAML
Cc1oc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2c1C(=O)[O-]	ZINC000002497208	570288458	/nfs/dbraw/zinc/28/84/58/570288458.db2.gz	RUUPAZQSHYDTPJ-UHFFFAOYSA-N	-2	1	381.409	4.393	50	0		GIAAML
CCCCOc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)ccc1Cl	ZINC000011614004	221118617	/nfs/dbraw/zinc/11/86/17/221118617.db2.gz	YDHFCODEBRIOEQ-UHFFFAOYSA-N	-2	1	383.853	4.018	50	0		GIAAML
CCCOc1ccc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])ccc2c1	ZINC000011613995	221118346	/nfs/dbraw/zinc/11/83/46/221118346.db2.gz	VYXZKWAHUZNEHB-UHFFFAOYSA-N	-2	1	385.441	4.128	50	0		GIAAML
CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC000011613981	221118421	/nfs/dbraw/zinc/11/84/21/221118421.db2.gz	KQJUERGYUJTEDM-UHFFFAOYSA-N	-2	1	385.441	4.128	50	0		GIAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1	ZINC000033253855	221778882	/nfs/dbraw/zinc/77/88/82/221778882.db2.gz	KLZCGGUQCVFGEJ-UHFFFAOYSA-N	-2	1	390.505	4.039	50	0		GIAAML
CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1	ZINC000013345769	221266112	/nfs/dbraw/zinc/26/61/12/221266112.db2.gz	RJBTVEXZVMIYJC-UHFFFAOYSA-N	-2	1	398.278	4.072	50	0		GIAAML