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([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1Cl	ZINC000078938548	205377703	/nfs/dbraw/zinc/37/77/03/205377703.db2.gz	UTEBTXKSBWQVNG-UHFFFAOYSA-N	-2	1	392.820	3.858	50	0		GHAAML
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)cc2)oc1C	ZINC000098009154	601325404	/nfs/dbraw/zinc/32/54/04/601325404.db2.gz	NBEGEGWSRKPTPX-XGICHPGQSA-N	-2	1	398.440	3.857	50	0		GHAAML
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000096736576	206122925	/nfs/dbraw/zinc/12/29/25/206122925.db2.gz	PSRMSJNXRCBJHT-WTKPLQERSA-N	-2	1	396.262	3.656	50	0		GHAAML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)ccc1Br	ZINC000006328219	570389892	/nfs/dbraw/zinc/38/98/92/570389892.db2.gz	CMLHBDFZMNMLRV-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)cc1Br	ZINC000032601643	570512114	/nfs/dbraw/zinc/51/21/14/570512114.db2.gz	OJMADSMDXOKAHN-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1OCCC	ZINC000095945912	571095679	/nfs/dbraw/zinc/09/56/79/571095679.db2.gz	GKGMFTUSEDPWIH-UHFFFAOYSA-N	-2	1	393.461	3.763	50	0		GHAAML
Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1C	ZINC000032601681	856465079	/nfs/dbraw/zinc/46/50/79/856465079.db2.gz	QGPZHJZWQSKSCN-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])cc1	ZINC000095941739	860709755	/nfs/dbraw/zinc/70/97/55/860709755.db2.gz	XQRLIAXGOWOGNF-UHFFFAOYSA-N	-2	1	395.502	3.761	50	0		GHAAML
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)cc2)oc1C	ZINC000040158016	570560789	/nfs/dbraw/zinc/56/07/89/570560789.db2.gz	NBEGEGWSRKPTPX-LFYBBSHMSA-N	-2	1	398.440	3.857	50	0		GHAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C	ZINC000033253854	570861888	/nfs/dbraw/zinc/86/18/88/570861888.db2.gz	UOSRXOIMXGXJRD-UHFFFAOYSA-N	-2	1	394.468	3.869	50	0		GHAAML
CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(C)cc2O)cc1	ZINC000013000611	570414655	/nfs/dbraw/zinc/41/46/55/570414655.db2.gz	OFRFTKOEISOYNP-UHFFFAOYSA-N	-2	1	384.461	3.659	50	0		GHAAML
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1C(=O)[O-]	ZINC000033253653	570861680	/nfs/dbraw/zinc/86/16/80/570861680.db2.gz	HXSYQQLSFNVHBG-UHFFFAOYSA-N	-2	1	382.869	3.685	50	0		GHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)S3)cc1	ZINC000003653493	204017331	/nfs/dbraw/zinc/01/73/31/204017331.db2.gz	CYKSRLRPAGGNMY-UHFFFAOYSA-N	-2	1	385.422	3.585	50	0		GHAAML
Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2s1	ZINC000005135023	570424156	/nfs/dbraw/zinc/42/41/56/570424156.db2.gz	KYFDRVJSGQDXDW-UHFFFAOYSA-N	-2	1	376.459	3.721	50	0		GHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1C(=O)[O-]	ZINC000047212140	205109558	/nfs/dbraw/zinc/10/95/58/205109558.db2.gz	FFDSUSHWHSPSJH-UHFFFAOYSA-N	-2	1	384.413	3.681	50	0		GHAAML
Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1Br	ZINC000013345800	601317510	/nfs/dbraw/zinc/31/75/10/601317510.db2.gz	DZXNPQODSJHSIQ-RUDMXATFSA-N	-2	1	396.262	3.656	50	0		GHAAML
Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2)cc1	ZINC000032765614	570803046	/nfs/dbraw/zinc/80/30/46/570803046.db2.gz	MHDNYQQKFPXSDD-UHFFFAOYSA-N	-2	1	386.429	3.625	50	0		GHAAML
Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)cc2s1	ZINC000013062824	570820547	/nfs/dbraw/zinc/82/05/47/570820547.db2.gz	IMYDEVLVCYUPOM-UHFFFAOYSA-N	-2	1	382.850	3.757	50	0		GHAAML
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCC(C)CC1	ZINC000033253892	570861828	/nfs/dbraw/zinc/86/18/28/570861828.db2.gz	AVBPDBVEKAKOTC-UHFFFAOYSA-N	-2	1	388.489	3.730	50	0		GHAAML
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1C(=O)[O-]	ZINC000071798576	205029982	/nfs/dbraw/zinc/02/99/82/205029982.db2.gz	YMMSXYSVBNDFRJ-UHFFFAOYSA-N	-2	1	382.869	3.522	50	0		GHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1Cl	ZINC000078938784	205377865	/nfs/dbraw/zinc/37/78/65/205377865.db2.gz	HSLXFTQAOAHSCR-UHFFFAOYSA-N	-2	1	393.770	3.944	50	0		GHAAML
Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)sc1C(=O)[O-]	ZINC000032926340	206096396	/nfs/dbraw/zinc/09/63/96/206096396.db2.gz	GRSNWGIPZAIBQR-UHFFFAOYSA-N	-2	1	390.280	3.626	50	0		GHAAML
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000005135088	570424127	/nfs/dbraw/zinc/42/41/27/570424127.db2.gz	FMVWRFXWXUIVEN-UHFFFAOYSA-N	-2	1	398.278	3.576	50	0		GHAAML
CCCN(CCC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1	ZINC000033253921	570861956	/nfs/dbraw/zinc/86/19/56/570861956.db2.gz	VTCCFDBILGHUMH-UHFFFAOYSA-N	-2	1	376.478	3.812	50	0		GHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)cc1	ZINC000072271995	570437360	/nfs/dbraw/zinc/43/73/60/570437360.db2.gz	SJSLIKQVOSZRLK-UHFFFAOYSA-N	-2	1	376.821	3.630	50	0		GHAAML
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCC[C@H](C)C1	ZINC000058013937	136154131	/nfs/dbraw/zinc/15/41/31/136154131.db2.gz	BFSLDHSHXCBWKW-AWEZNQCLSA-N	-2	1	388.489	3.730	50	0		GHAAML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(C(=O)[O-])c1	ZINC000060360593	205182292	/nfs/dbraw/zinc/18/22/92/205182292.db2.gz	KELDIYVHLBFKJA-UHFFFAOYSA-N	-2	1	396.424	3.521	50	0		GHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1F	ZINC000057769614	862238833	/nfs/dbraw/zinc/23/88/33/862238833.db2.gz	UQZJBNNVHWEJOS-UHFFFAOYSA-N	-2	1	377.315	3.652	50	0		GHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1C	ZINC000040105263	207340922	/nfs/dbraw/zinc/34/09/22/207340922.db2.gz	SXWJDWCSMBEAJH-UHFFFAOYSA-N	-2	1	382.869	3.522	50	0		GHAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc(C(F)(F)F)c1	ZINC000057769660	862238596	/nfs/dbraw/zinc/23/85/96/862238596.db2.gz	ZWUMAIVHJQQGDW-UHFFFAOYSA-N	-2	1	385.363	3.693	50	0		GHAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(SCCC(=O)[O-])c1	ZINC000095941735	208239248	/nfs/dbraw/zinc/23/92/48/208239248.db2.gz	GFMKOKLSOSUVLV-UHFFFAOYSA-N	-2	1	379.503	3.979	50	0		GHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Br	ZINC000012802644	570813749	/nfs/dbraw/zinc/81/37/49/570813749.db2.gz	OKBAXXHHYCMDIN-UHFFFAOYSA-N	-2	1	390.642	3.602	50	0		GHAAML
CCc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1	ZINC000013346037	570838386	/nfs/dbraw/zinc/83/83/86/570838386.db2.gz	HJPNDSAYXVFVDF-UHFFFAOYSA-N	-2	1	384.251	3.511	50	0		GHAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000047318127	570953620	/nfs/dbraw/zinc/95/36/20/570953620.db2.gz	BELHSQSNDYWFKS-UHFFFAOYSA-N	-2	1	376.217	3.501	50	0		GHAAML
CCn1ccc2ccc([N-]S(=O)(=O)c3cc(Cl)c(F)c(C(=O)[O-])c3)cc21	ZINC000170672877	571008729	/nfs/dbraw/zinc/00/87/29/571008729.db2.gz	CBMGVKUTXPYMFM-UHFFFAOYSA-N	-2	1	396.827	3.953	50	0		GHAAML
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)ccc1Br	ZINC000007708541	571019318	/nfs/dbraw/zinc/01/93/18/571019318.db2.gz	ZAMTWQFOJROVRM-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C(=O)[O-]	ZINC000078938816	208065670	/nfs/dbraw/zinc/06/56/70/208065670.db2.gz	MXHHVMLNSNNYJU-UHFFFAOYSA-N	-2	1	377.315	3.652	50	0		GHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000013041014	570819340	/nfs/dbraw/zinc/81/93/40/570819340.db2.gz	MWWYEQCNCGWMHN-UHFFFAOYSA-N	-2	1	379.743	3.858	50	0		GHAAML
O=C([O-])COc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)c2)cc1	ZINC000095466054	208188398	/nfs/dbraw/zinc/18/83/98/208188398.db2.gz	GFCIBCLEHNFZLA-UHFFFAOYSA-N	-2	1	389.454	3.679	50	0		GHAAML
Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000012521156	601318075	/nfs/dbraw/zinc/31/80/75/601318075.db2.gz	PSRMSJNXRCBJHT-RUDMXATFSA-N	-2	1	396.262	3.656	50	0		GHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)c1	ZINC000031534999	207381487	/nfs/dbraw/zinc/38/14/87/207381487.db2.gz	UNQXDJXLEGCQEZ-UHFFFAOYSA-N	-2	1	394.452	3.880	50	0		GHAAML
COc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)cc2)cc1	ZINC000036293986	570562939	/nfs/dbraw/zinc/56/29/39/570562939.db2.gz	ZBKATECYZDJGSI-UHFFFAOYSA-N	-2	1	383.425	3.861	50	0		GHAAML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1Br	ZINC000041091692	570614992	/nfs/dbraw/zinc/61/49/92/570614992.db2.gz	QFHWWRGUCFXDJJ-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000035267870	570278514	/nfs/dbraw/zinc/27/85/14/570278514.db2.gz	ARHAKOPKFTXTEX-UHFFFAOYSA-N	-2	1	379.743	3.858	50	0		GHAAML
CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc21	ZINC000078938626	208065693	/nfs/dbraw/zinc/06/56/93/208065693.db2.gz	ZHXGYNJIRVADBM-UHFFFAOYSA-N	-2	1	393.852	3.770	50	0		GHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1C	ZINC000000991348	570711244	/nfs/dbraw/zinc/71/12/44/570711244.db2.gz	VGWQHXUNMJMUHA-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000003186064	570331477	/nfs/dbraw/zinc/33/14/77/570331477.db2.gz	FALCSNQWIXSHNC-UHFFFAOYSA-N	-2	1	379.743	3.858	50	0		GHAAML
CCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000033254053	570861731	/nfs/dbraw/zinc/86/17/31/570861731.db2.gz	ZJMFWFHHIIVQTC-UHFFFAOYSA-N	-2	1	376.478	3.649	50	0		GHAAML
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccccc2C)cc1C(=O)[O-]	ZINC000035397499	570369867	/nfs/dbraw/zinc/36/98/67/570369867.db2.gz	UWFPLNDOYKTROW-UHFFFAOYSA-N	-2	1	391.493	3.515	50	0		GHAAML
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Br	ZINC000024839429	570312843	/nfs/dbraw/zinc/31/28/43/570312843.db2.gz	IRHXZHLYWGIOMF-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1	ZINC000032971111	570555389	/nfs/dbraw/zinc/55/53/89/570555389.db2.gz	OERRMKMTDDKMPK-UHFFFAOYSA-N	-2	1	388.489	3.730	50	0		GHAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1	ZINC000007053725	570500550	/nfs/dbraw/zinc/50/05/50/570500550.db2.gz	MYSJZHLEUFMKGZ-UHFFFAOYSA-N	-2	1	379.743	3.858	50	0		GHAAML
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1	ZINC000015245333	570903842	/nfs/dbraw/zinc/90/38/42/570903842.db2.gz	ZQWBSUXXHGNCJN-UHFFFAOYSA-N	-2	1	396.671	3.663	50	0		GHAAML
CSc1nc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2s1	ZINC000034888542	206320490	/nfs/dbraw/zinc/32/04/90/206320490.db2.gz	MWHWPUCEMIFSDF-UHFFFAOYSA-N	-2	1	380.472	3.517	50	0		GHAAML
C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2)C1	ZINC000032971123	570555429	/nfs/dbraw/zinc/55/54/29/570555429.db2.gz	VVNXMARTSMUWTI-CYBMUJFWSA-N	-2	1	392.452	3.561	50	0		GHAAML
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2CC)cc1OCC	ZINC000072312990	570649528	/nfs/dbraw/zinc/64/95/28/570649528.db2.gz	FQAOISZXKMOYTM-UHFFFAOYSA-N	-2	1	393.461	3.545	50	0		GHAAML
CCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1	ZINC000033254061	570861750	/nfs/dbraw/zinc/86/17/50/570861750.db2.gz	UMUJWPNMQCCFJX-UHFFFAOYSA-N	-2	1	376.478	3.649	50	0		GHAAML
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(F)(F)F)c1	ZINC000042792753	570893370	/nfs/dbraw/zinc/89/33/70/570893370.db2.gz	PUHYJWCPWGTRFQ-UHFFFAOYSA-N	-2	1	389.351	3.521	50	0		GHAAML
CCCn1cc(C(=O)c2ccccc2[O-])cc1-c1nc(=O)c2sccc2[n-]1	ZINC000009458398	857204058	/nfs/dbraw/zinc/20/40/58/857204058.db2.gz	FCRWZVDBDWLQSI-UHFFFAOYSA-N	-2	1	379.441	3.800	50	0		GHAAML
O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1	ZINC000078241800	211147857	/nfs/dbraw/zinc/14/78/57/211147857.db2.gz	XZETZDNOEMFKGC-UHFFFAOYSA-N	-2	1	382.171	3.771	50	0		GHAAML
CCCCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1	ZINC000033253998	570403326	/nfs/dbraw/zinc/40/33/26/570403326.db2.gz	CXMMGRVCPOGPSG-UHFFFAOYSA-N	-2	1	376.478	3.812	50	0		GHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)c1	ZINC000012521157	570827996	/nfs/dbraw/zinc/82/79/96/570827996.db2.gz	GQYIWCFLWVLEOM-UHFFFAOYSA-N	-2	1	389.429	3.617	50	0		GHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1Br	ZINC000012860998	570267886	/nfs/dbraw/zinc/26/78/86/570267886.db2.gz	NPDHMMGTCBKHAK-UHFFFAOYSA-N	-2	1	390.642	3.602	50	0		GHAAML
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000000754636	209264272	/nfs/dbraw/zinc/26/42/72/209264272.db2.gz	JDVLYAYDIMUAAC-UHFFFAOYSA-N	-2	1	390.642	3.602	50	0	in-vivo	GHAAML
CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-]	ZINC000035397655	570348883	/nfs/dbraw/zinc/34/88/83/570348883.db2.gz	PARFLWBPESSGLB-UHFFFAOYSA-N	-2	1	391.493	3.550	50	0		GHAAML
COc1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000036293922	570562890	/nfs/dbraw/zinc/56/28/90/570562890.db2.gz	ZFNQOUZSNZLJLR-UHFFFAOYSA-N	-2	1	383.425	3.861	50	0		GHAAML
C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2)C1	ZINC000032971124	570555211	/nfs/dbraw/zinc/55/52/11/570555211.db2.gz	VVNXMARTSMUWTI-ZDUSSCGKSA-N	-2	1	392.452	3.561	50	0		GHAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)c1	ZINC000016154387	210185344	/nfs/dbraw/zinc/18/53/44/210185344.db2.gz	PUJPPBHWYBEYCK-UHFFFAOYSA-N	-2	1	399.453	3.562	50	0		GHAAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c1	ZINC000032971149	210610061	/nfs/dbraw/zinc/61/00/61/210610061.db2.gz	OBVYDSGAZASFFN-OAHLLOKOSA-N	-2	1	388.489	3.730	50	0		GHAAML
Cc1cc2oc(-c3ccc(C(=O)[O-])cc3)c(-c3c([O-])cc(C)oc3=O)c2c(=O)o1	ZINC000888090653	843712577	/nfs/dbraw/zinc/71/25/77/843712577.db2.gz	MNYNEXQHLLHSJJ-UHFFFAOYSA-N	-2	1	394.335	3.694	50	0		GHAAML
C[C@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)C1	ZINC000032971140	570555130	/nfs/dbraw/zinc/55/51/30/570555130.db2.gz	NIYIXBDVZXRYNW-ZDUSSCGKSA-N	-2	1	392.452	3.561	50	0		GHAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC)cc1	ZINC000033253851	570862033	/nfs/dbraw/zinc/86/20/33/570862033.db2.gz	OGNGAUDJIGUWRG-UHFFFAOYSA-N	-2	1	390.505	3.984	50	0		GHAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1C	ZINC000013345406	211696672	/nfs/dbraw/zinc/69/66/72/211696672.db2.gz	CDFUMNAXBYSLKR-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F	ZINC000078747840	926990195	/nfs/dbraw/zinc/99/01/95/926990195.db2.gz	FIHBPKMMKSZAGT-UHFFFAOYSA-N	-2	1	377.315	3.652	50	0		GHAAML
CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000035397377	570348681	/nfs/dbraw/zinc/34/86/81/570348681.db2.gz	YQNXRMYFHMCSLO-UHFFFAOYSA-N	-2	1	391.493	3.515	50	0		GHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1Cl	ZINC000036378215	570564152	/nfs/dbraw/zinc/56/41/52/570564152.db2.gz	WFJZFEXHLJNUBP-UHFFFAOYSA-N	-2	1	390.642	3.602	50	0		GHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)ccc1F	ZINC000058366984	570729325	/nfs/dbraw/zinc/72/93/25/570729325.db2.gz	FQRPZHMGFBMQRF-UHFFFAOYSA-N	-2	1	388.376	3.512	50	0		GHAAML
CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1	ZINC000033253902	570862016	/nfs/dbraw/zinc/86/20/16/570862016.db2.gz	LXKWQMFOFDSALG-UHFFFAOYSA-N	-2	1	396.468	3.822	50	0		GHAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)(C)C)nc2c1	ZINC000032097532	210572711	/nfs/dbraw/zinc/57/27/11/210572711.db2.gz	LCYOSGNXORKXDF-UHFFFAOYSA-N	-2	1	388.445	3.933	50	0		GHAAML
COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(F)(F)F)c1	ZINC000042792748	570893404	/nfs/dbraw/zinc/89/34/04/570893404.db2.gz	WAMKQZXAMPIYAY-UHFFFAOYSA-N	-2	1	389.351	3.521	50	0		GHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000036748160	570569674	/nfs/dbraw/zinc/56/96/74/570569674.db2.gz	LKMBNMYBFYNDKV-UHFFFAOYSA-N	-2	1	379.743	3.858	50	0		GHAAML
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl	ZINC000012792024	570814161	/nfs/dbraw/zinc/81/41/61/570814161.db2.gz	XBMOKVIMQQJBJC-UHFFFAOYSA-N	-2	1	376.217	3.501	50	0		GHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)ccc1Cl	ZINC000012605567	570888766	/nfs/dbraw/zinc/88/87/66/570888766.db2.gz	DFDBMQYOGLQUAC-UHFFFAOYSA-N	-2	1	390.642	3.602	50	0		GHAAML
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1	ZINC000016130001	570912641	/nfs/dbraw/zinc/91/26/41/570912641.db2.gz	JDNJTVXJFZNPKI-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c2ccccc12	ZINC000001089972	209300160	/nfs/dbraw/zinc/30/01/60/209300160.db2.gz	UHYZYQSYSRZDHK-UHFFFAOYSA-N	-2	1	385.441	3.666	50	0		GHAAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c1	ZINC000032971150	570398057	/nfs/dbraw/zinc/39/80/57/570398057.db2.gz	OBVYDSGAZASFFN-HNNXBMFYSA-N	-2	1	388.489	3.730	50	0		GHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)cc1	ZINC000032971104	570555299	/nfs/dbraw/zinc/55/52/99/570555299.db2.gz	CZOIFMXGGROIAL-UHFFFAOYSA-N	-2	1	388.489	3.730	50	0		GHAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1	ZINC000012630736	570693383	/nfs/dbraw/zinc/69/33/83/570693383.db2.gz	CEOVFYHFVDEOKZ-UHFFFAOYSA-N	-2	1	395.527	3.973	50	0		GHAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(F)cc1F	ZINC000065585838	570837458	/nfs/dbraw/zinc/83/74/58/570837458.db2.gz	UBJNTMISDPDNNT-UHFFFAOYSA-N	-2	1	388.200	3.832	50	0		GHAAML
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000007987918	221020246	/nfs/dbraw/zinc/02/02/46/221020246.db2.gz	NWBJUAQMAYNEOC-UHFFFAOYSA-N	-2	1	390.642	3.602	50	0		GHAAML
Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])ccc1Br	ZINC000013464616	221268786	/nfs/dbraw/zinc/26/87/86/221268786.db2.gz	KWYFPKWWHBXHAJ-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C	ZINC000033253852	570861656	/nfs/dbraw/zinc/86/16/56/570861656.db2.gz	PZKODGMCZVNFJT-UHFFFAOYSA-N	-2	1	376.478	3.730	50	0		GHAAML
Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1Br	ZINC000096747848	601318487	/nfs/dbraw/zinc/31/84/87/601318487.db2.gz	DZXNPQODSJHSIQ-WTKPLQERSA-N	-2	1	396.262	3.656	50	0		GHAAML
Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1Br	ZINC000008105751	221027088	/nfs/dbraw/zinc/02/70/88/221027088.db2.gz	PRUXBOGTGCZNHY-UHFFFAOYSA-N	-2	1	398.278	3.576	50	0		GHAAML
CCCCN(C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000033253843	570862046	/nfs/dbraw/zinc/86/20/46/570862046.db2.gz	QVKLCWSXZSYOFZ-UHFFFAOYSA-N	-2	1	376.478	3.730	50	0		GHAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C(F)(F)F	ZINC000095428143	860576498	/nfs/dbraw/zinc/57/64/98/860576498.db2.gz	YAASJJGKZQOTOG-UHFFFAOYSA-N	-2	1	396.346	3.753	50	0		GHAAML
CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c2ccccc12	ZINC000065516310	222133484	/nfs/dbraw/zinc/13/34/84/222133484.db2.gz	JCKFUHUOZNQIKE-UHFFFAOYSA-N	-2	1	389.404	3.877	50	0		GHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(Br)c1	ZINC000058380518	222050405	/nfs/dbraw/zinc/05/04/05/222050405.db2.gz	XAPCHLQVSSOERL-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1	ZINC000024432887	570402239	/nfs/dbraw/zinc/40/22/39/570402239.db2.gz	PGKYGOXJERKDBI-UHFFFAOYSA-N	-2	1	397.733	3.997	50	0		GHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(Br)c2)c1C	ZINC000006919657	230854023	/nfs/dbraw/zinc/85/40/23/230854023.db2.gz	ROUOIYSNDGMWTQ-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C(=O)[O-]	ZINC000078877912	222298975	/nfs/dbraw/zinc/29/89/75/222298975.db2.gz	ODHPRCSTGLMJSM-UHFFFAOYSA-N	-2	1	387.379	3.907	50	0		GHAAML
C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)C1	ZINC000032971139	570555188	/nfs/dbraw/zinc/55/51/88/570555188.db2.gz	NIYIXBDVZXRYNW-CYBMUJFWSA-N	-2	1	392.452	3.561	50	0		GHAAML
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCC[C@@H](C)C1	ZINC000058013938	136154223	/nfs/dbraw/zinc/15/42/23/136154223.db2.gz	BFSLDHSHXCBWKW-CQSZACIVSA-N	-2	1	388.489	3.730	50	0		GHAAML
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-]	ZINC000035397505	570349040	/nfs/dbraw/zinc/34/90/40/570349040.db2.gz	QHKKIQHFUAUMNL-UHFFFAOYSA-N	-2	1	391.493	3.515	50	0		GHAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1Cl	ZINC000002646188	570292577	/nfs/dbraw/zinc/29/25/77/570292577.db2.gz	VBKISLAQNXWKMC-UHFFFAOYSA-N	-2	1	395.742	3.738	50	0		GHAAML
CCCCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000035397486	570349022	/nfs/dbraw/zinc/34/90/22/570349022.db2.gz	JALHNUGERWIRDM-UHFFFAOYSA-N	-2	1	391.493	3.515	50	0		GHAAML
Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000084041218	570991804	/nfs/dbraw/zinc/99/18/04/570991804.db2.gz	UBJGUIPISOAREO-UHFFFAOYSA-N	-2	1	378.208	3.940	50	0		GHAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)cc1C(=O)[O-]	ZINC000032097447	600810124	/nfs/dbraw/zinc/81/01/24/600810124.db2.gz	HBWBHVYPZNUPSW-UHFFFAOYSA-N	-2	1	388.445	3.933	50	0		GHAAML
O=C([N-]n1c(=O)c2cc(Cc3ccccc3)sc2[n-]c1=S)c1ccco1	ZINC000017078295	221377540	/nfs/dbraw/zinc/37/75/40/221377540.db2.gz	UBFLGHQXQXHDTK-UHFFFAOYSA-N	-2	1	383.454	3.688	50	0		GHAAML
CCCN(CCC)c1ncc([N-]S(=O)(=O)c2ccccc2C)cc1C(=O)[O-]	ZINC000035397390	570348912	/nfs/dbraw/zinc/34/89/12/570348912.db2.gz	OUZKTVHWOPJRQF-UHFFFAOYSA-N	-2	1	391.493	3.515	50	0		GHAAML
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N(CC)CC)cc1	ZINC000033254056	570861924	/nfs/dbraw/zinc/86/19/24/570861924.db2.gz	LSVDTBBKYVWXJV-UHFFFAOYSA-N	-2	1	376.478	3.594	50	0		GHAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(Br)c1	ZINC000012521403	221201443	/nfs/dbraw/zinc/20/14/43/221201443.db2.gz	YDYPQODHNIILSJ-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Br)ccc1C	ZINC000013464644	221269010	/nfs/dbraw/zinc/26/90/10/221269010.db2.gz	ORSVLIBXUQZJDS-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1OCCC	ZINC000095945914	222362406	/nfs/dbraw/zinc/36/24/06/222362406.db2.gz	OXDKTBHPZPBWJY-UHFFFAOYSA-N	-2	1	393.461	3.763	50	0		GHAAML
Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C	ZINC000032601617	570512185	/nfs/dbraw/zinc/51/21/85/570512185.db2.gz	MDPQACJIWFLDOI-UHFFFAOYSA-N	-2	1	384.251	3.565	50	0		GHAAML
O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000013078339	221260068	/nfs/dbraw/zinc/26/00/68/221260068.db2.gz	ABUDAGWUSKANMQ-UHFFFAOYSA-N	-2	1	379.743	3.858	50	0		GHAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1Cl	ZINC000037641995	882661267	/nfs/dbraw/zinc/66/12/67/882661267.db2.gz	RVSRSRMULRYWLL-UHFFFAOYSA-N	-2	1	390.642	3.602	50	0		GHAAML
CCN(CC)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C	ZINC000033254060	570861741	/nfs/dbraw/zinc/86/17/41/570861741.db2.gz	ZIQHEIGZQQLOKC-UHFFFAOYSA-N	-2	1	390.505	3.957	50	0		GHAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1C	ZINC000031776635	601321696	/nfs/dbraw/zinc/32/16/96/601321696.db2.gz	RWKQAXISWXAPMT-UHFFFAOYSA-N	-2	1	397.456	3.568	50	0		GHAAML
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1OCC(=O)[O-]	ZINC000058377227	222051277	/nfs/dbraw/zinc/05/12/77/222051277.db2.gz	ZJKGPDHWHXEWDL-UHFFFAOYSA-N	-2	1	390.244	3.566	50	0		GHAAML