smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000226857686	464186128	/nfs/dbraw/zinc/18/61/28/464186128.db2.gz	YDOILUKNPVIOAX-UHFFFAOYSA-N	-2	0	335.337	2.192	40	0		EEABRL
COc1ccc(C)cc1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1	ZINC000020156599	441263120	/nfs/dbraw/zinc/26/31/20/441263120.db2.gz	CMAHKWAMWLSJAA-UHFFFAOYSA-N	-2	0	342.398	2.268	40	0		EEABRL
Cc1csc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1	ZINC000021518599	441271810	/nfs/dbraw/zinc/27/18/10/441271810.db2.gz	XGNPFHYHNJIIQJ-UHFFFAOYSA-N	-2	0	326.399	2.270	40	0		EEABRL
O=S(=O)([O-])c1cc(Br)c([O-])c(Br)c1	ZINC000001764317	462586728	/nfs/dbraw/zinc/58/67/28/462586728.db2.gz	DMIMZHGXWWCGBD-UHFFFAOYSA-N	-2	0	331.969	2.164	40	0		EEABRL
O=C([O-])c1ncn(Cc2ccc(Br)cc2)c1C(=O)[O-]	ZINC000028630245	202173865	/nfs/dbraw/zinc/17/38/65/202173865.db2.gz	CUSOITOQLPMJNP-UHFFFAOYSA-N	-2	0	325.118	2.090	40	0		EEABRL
C[C@H](O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)[O-])C(=O)[O-]	ZINC001549184300	1121145347	/nfs/dbraw/zinc/14/53/47/1121145347.db2.gz	QYCKAIPDXPEVHP-XJKSGUPXSA-N	-2	0	345.436	2.312	40	0		EEABRL
O=C([O-])CCn1c(=O)n(CCC(=O)[O-])c2c1cc(Cl)cc2Cl	ZINC000005567123	462663002	/nfs/dbraw/zinc/66/30/02/462663002.db2.gz	MLYYZWUETIPDTA-UHFFFAOYSA-N	-2	0	347.154	2.059	40	0		EEABRL
CN(C)c1ccc(C(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])c([O-])c1	ZINC000329788156	465433961	/nfs/dbraw/zinc/43/39/61/465433961.db2.gz	SDFHZJPRNSKKDH-UHFFFAOYSA-N	-3	0	329.308	2.086	40	0		EEABRL
O=C([O-])CCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)[O-]	ZINC001549184269	1121145318	/nfs/dbraw/zinc/14/53/18/1121145318.db2.gz	OOKPYPSVSYFHEP-CQSZACIVSA-N	-2	0	345.436	2.314	40	0		EEABRL
O=C([O-])[C@@H](Cc1ccccc1)N[C@@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590377	304094607	/nfs/dbraw/zinc/09/46/07/304094607.db2.gz	JKQYVBBZWUUJSR-HUUCEWRRSA-N	-2	0	335.296	2.148	40	0		EEABRL
O=C([O-])c1cc(OCC(=O)Nc2ccc(F)cc2)cc(C(=O)[O-])c1	ZINC000217726657	241273205	/nfs/dbraw/zinc/27/32/05/241273205.db2.gz	WJMKOCKFPARQAR-UHFFFAOYSA-N	-2	0	333.271	2.240	40	0		EEABRL
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1C(=O)[O-]	ZINC000226858331	205158413	/nfs/dbraw/zinc/15/84/13/205158413.db2.gz	NJODGZBRQBTZFY-UHFFFAOYSA-N	-2	0	349.364	2.217	40	0		EEABRL
CCc1oncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1	ZINC000337883505	465653540	/nfs/dbraw/zinc/65/35/40/465653540.db2.gz	ZWAZNZGGTWCDGR-UHFFFAOYSA-N	-2	0	330.749	2.389	40	0		EEABRL
O=C([O-])CCN(C(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccccc1	ZINC000004952102	304052059	/nfs/dbraw/zinc/05/20/59/304052059.db2.gz	BDSHQOFFUKNWQI-KOZAUXTDSA-N	-2	0	329.352	2.017	40	0		EEABRL
O=C([O-])c1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000003466241	304249115	/nfs/dbraw/zinc/24/91/15/304249115.db2.gz	AIVVXPSKEVWKMY-UHFFFAOYSA-N	-4	0	346.247	2.272	40	0		EEABRL
Cn1ncc([N-]S(=O)(=O)c2csc3ccccc32)c1C(=O)[O-]	ZINC000552028776	468300904	/nfs/dbraw/zinc/30/09/04/468300904.db2.gz	OZRXLKXWBWBOQY-UHFFFAOYSA-N	-2	0	337.382	2.134	40	0		EEABRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1sc(C)nc1C	ZINC000361988252	466463865	/nfs/dbraw/zinc/46/38/65/466463865.db2.gz	VJPIQVQKZLMGQD-UHFFFAOYSA-N	-2	0	342.398	2.268	40	0		EEABRL
Cc1ccc(NC(=O)COc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000217726170	241269514	/nfs/dbraw/zinc/26/95/14/241269514.db2.gz	XDLJCRVLXKMWGU-UHFFFAOYSA-N	-2	0	329.308	2.409	40	0		EEABRL
O=C([O-])CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000033954130	463425283	/nfs/dbraw/zinc/42/52/83/463425283.db2.gz	XWRIIHRGMKHPHN-USRRKILKSA-N	-2	0	338.400	2.443	40	0	in-vitro	EEABRL
Cc1nc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cn1C	ZINC000181773051	464528219	/nfs/dbraw/zinc/52/82/19/464528219.db2.gz	YXQINOZZRZDKHH-JTQLQIEISA-N	-2	0	337.401	2.108	40	0		EEABRL
CCCc1n[n-]c(=NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1	ZINC000653534205	471653715	/nfs/dbraw/zinc/65/37/15/471653715.db2.gz	CFBZTCZLXWEYJO-LPEHRKFASA-N	-2	0	340.449	2.169	40	0		EEABRL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)cc1)C(=O)[O-]	ZINC000361773272	466275516	/nfs/dbraw/zinc/27/55/16/466275516.db2.gz	RHUHRPXAEOJGQE-GFCCVEGCSA-N	-2	0	337.401	2.172	40	0		EEABRL
CCc1nc(SC(=Cc2ccc(OCC(=O)[O-])cc2)C(=O)[O-])n[nH]1	ZINC000007342517	462731458	/nfs/dbraw/zinc/73/14/58/462731458.db2.gz	YBNMXMDKHSVVNW-XFFZJAGNSA-N	-2	0	349.368	2.048	40	0		EEABRL
Cc1cccc([N-]S(=O)(=O)c2cccc3c2OCCO3)c1C(=O)[O-]	ZINC000342271725	161052296	/nfs/dbraw/zinc/05/22/96/161052296.db2.gz	HCYGXRHUVXXNLY-UHFFFAOYSA-N	-2	0	349.364	2.265	40	0		EEABRL
O=C([O-])CN(CC(=O)[O-])C(=O)N(c1ccccc1)c1ccccc1	ZINC000006240558	462679590	/nfs/dbraw/zinc/67/95/90/462679590.db2.gz	NJPLAUASJYWQKN-UHFFFAOYSA-N	-2	0	328.324	2.416	40	0		EEABRL
Cc1nnc(S/C(=C\c2cccc(OCC(=O)[O-])c2)C(=O)[O-])o1	ZINC000007603699	462740607	/nfs/dbraw/zinc/74/06/07/462740607.db2.gz	VUBXLDBZGXPKJK-WDZFZDKYSA-N	-2	0	336.325	2.059	40	0		EEABRL
CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1	ZINC000267342058	256050596	/nfs/dbraw/zinc/05/05/96/256050596.db2.gz	HSHQRSNYSWGOJH-UHFFFAOYSA-N	-2	0	341.364	2.177	40	0		EEABRL
COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cn1	ZINC000390834585	323545741	/nfs/dbraw/zinc/54/57/41/323545741.db2.gz	GOMKXNRRLPITAL-UHFFFAOYSA-N	-2	0	342.760	2.243	40	0		EEABRL
CCOc1nc2c(Br)c(C(=O)[O-])nc-2c(OCC)[n-]1	ZINC000001686194	462585502	/nfs/dbraw/zinc/58/55/02/462585502.db2.gz	JUPIGDGUYQUUFP-UHFFFAOYSA-N	-2	0	330.138	2.216	40	0		EEABRL
C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)ccc2O1	ZINC000343852556	161174645	/nfs/dbraw/zinc/17/46/45/161174645.db2.gz	GWOGCTLPZQVPBQ-VIFPVBQESA-N	-2	0	349.364	2.215	40	0		EEABRL
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1	ZINC000390833110	467414283	/nfs/dbraw/zinc/41/42/83/467414283.db2.gz	CENUUDLNHYZDGB-UHFFFAOYSA-N	-2	0	340.288	2.233	40	0		EEABRL
C[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)[O-])C(=O)[O-]	ZINC001549184299	1121145423	/nfs/dbraw/zinc/14/54/23/1121145423.db2.gz	QYCKAIPDXPEVHP-CZUORRHYSA-N	-2	0	345.436	2.312	40	0		EEABRL
O=C([O-])[C@H](Cc1ccccc1)N[C@@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590376	304171942	/nfs/dbraw/zinc/17/19/42/304171942.db2.gz	JKQYVBBZWUUJSR-LSDHHAIUSA-N	-2	0	335.296	2.148	40	0		EEABRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000013026847	462883761	/nfs/dbraw/zinc/88/37/61/462883761.db2.gz	VZVYITPARWXTPH-UHFFFAOYSA-N	-2	0	335.337	2.192	40	0		EEABRL
CCCc1n[n-]c(=NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1	ZINC000653534204	471654262	/nfs/dbraw/zinc/65/42/62/471654262.db2.gz	CFBZTCZLXWEYJO-KXUCPTDWSA-N	-2	0	340.449	2.169	40	0		EEABRL
O=C([O-])C(Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001707617	209784659	/nfs/dbraw/zinc/78/46/59/209784659.db2.gz	LLLOIHJIMQWUDD-UHFFFAOYSA-N	-2	0	343.335	2.064	40	0		EEABRL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000008778956	211006099	/nfs/dbraw/zinc/00/60/99/211006099.db2.gz	RUCJQRBCIZJZSB-UHFFFAOYSA-N	-2	0	335.337	2.192	40	0		EEABRL
COc1cc(OC)c([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])c1	ZINC000060362425	462543470	/nfs/dbraw/zinc/54/34/70/462543470.db2.gz	MSBHWIONGHCEFN-UHFFFAOYSA-N	-2	0	343.382	2.264	40	0		EEABRL
COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)cc1C	ZINC000020156603	441262895	/nfs/dbraw/zinc/26/28/95/441262895.db2.gz	KLNRYXSFPCJVNU-UHFFFAOYSA-N	-2	0	342.398	2.268	40	0		EEABRL
Cc1oncc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C	ZINC000272750766	274180606	/nfs/dbraw/zinc/18/06/06/274180606.db2.gz	LLRXKBJOEHFQPB-UHFFFAOYSA-N	-2	0	338.385	2.336	40	0		EEABRL
O=C([O-])c1cc(C(=O)[O-])cc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000005583856	462664178	/nfs/dbraw/zinc/66/41/78/462664178.db2.gz	SFWCSNGKZBWZKF-UHFFFAOYSA-N	-3	0	329.264	2.034	40	0		EEABRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cncc(Cl)c1	ZINC000350302675	466454891	/nfs/dbraw/zinc/45/48/91/466454891.db2.gz	SWVDZTHSGYLQOB-UHFFFAOYSA-N	-2	0	342.760	2.243	40	0		EEABRL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1	ZINC000007230432	462726505	/nfs/dbraw/zinc/72/65/05/462726505.db2.gz	DMEZJLWLTWLRHW-UHFFFAOYSA-N	-2	0	339.300	2.053	40	0		EEABRL
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cn1	ZINC000390834649	323545146	/nfs/dbraw/zinc/54/51/46/323545146.db2.gz	KYXSTFRTYRPEJD-UHFFFAOYSA-N	-2	0	348.380	2.238	40	0		EEABRL
Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000272444520	464610919	/nfs/dbraw/zinc/61/09/19/464610919.db2.gz	UKIPLBIEHIONSI-UHFFFAOYSA-N	-2	0	335.288	2.056	40	0		EEABRL
O=C([O-])C1C(c2ccc(O)cc2)C(C(=O)[O-])C1c1ccc(O)cc1	ZINC000000028447	304036651	/nfs/dbraw/zinc/03/66/51/304036651.db2.gz	LKRJTULSSBSRAS-UHFFFAOYSA-N	-2	0	328.320	2.380	40	0	biogenic,in-vitro	EEABRL
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(=O)[O-]	ZINC000226858686	242117522	/nfs/dbraw/zinc/11/75/22/242117522.db2.gz	BREWAGSKWSMDDQ-UHFFFAOYSA-N	-3	0	335.337	2.192	40	0		EEABRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000360231917	164263560	/nfs/dbraw/zinc/26/35/60/164263560.db2.gz	WEFASBBBIGZZHK-UHFFFAOYSA-N	-2	0	349.364	2.224	40	0		EEABRL
CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000338222101	465913746	/nfs/dbraw/zinc/91/37/46/465913746.db2.gz	UJJBEIYWQVOYIX-UHFFFAOYSA-N	-2	0	327.337	2.102	40	0		EEABRL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)NNc2ccccc2)c1	ZINC000226860970	242118412	/nfs/dbraw/zinc/11/84/12/242118412.db2.gz	RWCWPKQZKKXHJI-UHFFFAOYSA-N	-2	0	326.761	2.344	40	0		EEABRL
O=C([O-])[C@H](Cc1ccccc1)N[C@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590378	304171886	/nfs/dbraw/zinc/17/18/86/304171886.db2.gz	JKQYVBBZWUUJSR-GJZGRUSLSA-N	-2	0	335.296	2.148	40	0		EEABRL
Cc1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)sc1C(=O)[O-]	ZINC000071946538	463477421	/nfs/dbraw/zinc/47/74/21/463477421.db2.gz	CHQADJXGFOGSQD-UHFFFAOYSA-N	-2	0	337.382	2.432	40	0		EEABRL
O=C([O-])c1cccc(C(=O)[O-])c1-c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC000001600331	462584035	/nfs/dbraw/zinc/58/40/35/462584035.db2.gz	YENVMPPRTXICRT-UHFFFAOYSA-N	-4	0	330.248	2.146	40	0		EEABRL
Cc1cnn(C)c1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000285025655	464430375	/nfs/dbraw/zinc/43/03/75/464430375.db2.gz	HFMGVIQCHNTEQV-UHFFFAOYSA-N	-2	0	337.401	2.351	40	0		EEABRL
O=C([O-])c1cnc([N-]S(=O)(=O)c2cccc3ccccc32)nc1	ZINC000008701484	462791383	/nfs/dbraw/zinc/79/13/83/462791383.db2.gz	OXAOAJKZIZEMFW-UHFFFAOYSA-N	-2	0	329.337	2.129	40	0		EEABRL
Cc1nc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cn1C	ZINC000181773067	464528068	/nfs/dbraw/zinc/52/80/68/464528068.db2.gz	YXQINOZZRZDKHH-SNVBAGLBSA-N	-2	0	337.401	2.108	40	0		EEABRL
O=C([O-])[C@@H](Cc1ccccc1)N[C@H](c1ccccc1)[P@](=O)([O-])O	ZINC000001590379	304094613	/nfs/dbraw/zinc/09/46/13/304094613.db2.gz	JKQYVBBZWUUJSR-CABCVRRESA-N	-2	0	335.296	2.148	40	0		EEABRL
CC(C)(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ccccc21	ZINC000863959898	1197937542	/nfs/dbraw/zinc/93/75/42/1197937542.db2.gz	RKSUPUORXKNBTR-AWEZNQCLSA-N	-2	0	349.408	2.392	40	0		EEABRL
COc1ccc(F)cc1S(=O)(=O)[N-]c1nc(C)c(C(=O)[O-])s1	ZINC000020156610	441263563	/nfs/dbraw/zinc/26/35/63/441263563.db2.gz	JXFMACPDDCZBRM-UHFFFAOYSA-N	-2	0	346.361	2.098	40	0		EEABRL
COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1P(=O)([O-])[O-]	ZINC000584567007	468898698	/nfs/dbraw/zinc/89/86/98/468898698.db2.gz	HATKLYFWVZJFSS-UHFFFAOYSA-N	-2	0	349.254	2.146	40	0		EEABRL
COc1ccccc1NC(=O)COc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000217727695	537083746	/nfs/dbraw/zinc/08/37/46/537083746.db2.gz	VSISCFVXWMBOLK-UHFFFAOYSA-N	-2	0	345.307	2.109	40	0		EEABRL
O=C([O-])CCN(C(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])c1ccccc1	ZINC000004952104	304052075	/nfs/dbraw/zinc/05/20/75/304052075.db2.gz	BDSHQOFFUKNWQI-KNPMLCFXSA-N	-2	0	329.352	2.017	40	0		EEABRL
Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1	ZINC000350741401	466593834	/nfs/dbraw/zinc/59/38/34/466593834.db2.gz	OTLXESCTBNOOBY-UHFFFAOYSA-N	-2	0	349.290	2.294	40	0		EEABRL
COc1cccc(NC(=O)COc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000217727804	537127082	/nfs/dbraw/zinc/12/70/82/537127082.db2.gz	YZZMMPVHBWSMTQ-UHFFFAOYSA-N	-2	0	345.307	2.109	40	0		EEABRL
COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccoc1	ZINC000349030075	465928849	/nfs/dbraw/zinc/92/88/49/465928849.db2.gz	DIANQWSYORYNTH-UHFFFAOYSA-N	-2	0	325.342	2.106	40	0		EEABRL
Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)sn1	ZINC000634794612	470316065	/nfs/dbraw/zinc/31/60/65/470316065.db2.gz	KKFQOZDKOJAUBI-NWDGAFQWSA-N	-2	0	338.410	2.440	40	0		EEABRL
COc1ccc(NC(=O)COc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000217727933	241272649	/nfs/dbraw/zinc/27/26/49/241272649.db2.gz	FTKXMQQGJYWKAR-UHFFFAOYSA-N	-2	0	345.307	2.109	40	0		EEABRL
O=C([O-])c1cnc([N-]S(=O)(=O)c2ccc3ccccc3c2)nc1	ZINC000008701491	462791817	/nfs/dbraw/zinc/79/18/17/462791817.db2.gz	AVTZRLLOFTZKNJ-UHFFFAOYSA-N	-2	0	329.337	2.129	40	0		EEABRL
O=C([O-])[C@@H](c1ccccc1)S(=O)(=O)[C@H](C(=O)[O-])c1ccccc1	ZINC000001702009	209783937	/nfs/dbraw/zinc/78/39/37/209783937.db2.gz	OYOBGAMJVFCGJH-OKILXGFUSA-N	-2	0	334.349	2.053	40	0		EEABRL
C[C@@]1(C(=O)[O-])CN(C(=O)OCc2ccccc2)C[C@@](C)(C(=O)[O-])C1	ZINC000095921553	463109377	/nfs/dbraw/zinc/10/93/77/463109377.db2.gz	NQONQVXXZZVOMU-IRXDYDNUSA-N	-2	0	335.356	2.211	40	0		EEABRL
COc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])cc1OC	ZINC000004537123	210215624	/nfs/dbraw/zinc/21/56/24/210215624.db2.gz	DBTVYCHWEIQSMA-UHFFFAOYSA-N	-2	0	345.307	2.353	40	0		EEABRL
Cc1cc([N-]S(=O)(=O)c2cccc3c2OCO3)cc(C(=O)[O-])c1	ZINC000350485951	539874800	/nfs/dbraw/zinc/87/48/00/539874800.db2.gz	ZOBHMTWFDSOZGU-UHFFFAOYSA-N	-2	0	335.337	2.223	40	0		EEABRL
Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)s1	ZINC000176501657	464789173	/nfs/dbraw/zinc/78/91/73/464789173.db2.gz	UQEQPGNPPFQMTG-UHFFFAOYSA-N	-2	0	326.399	2.188	40	0		EEABRL
CCc1nc(SC(=Cc2cccc(OCC(=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000007342518	462730869	/nfs/dbraw/zinc/73/08/69/462730869.db2.gz	OTAPLQVGGMLSGT-XFFZJAGNSA-N	-2	0	349.368	2.048	40	0		EEABRL
C[C@]1(C(=O)[O-])CN(C(=O)OCc2ccccc2)C[C@@](C)(C(=O)[O-])C1	ZINC000095921551	463108975	/nfs/dbraw/zinc/10/89/75/463108975.db2.gz	NQONQVXXZZVOMU-CALCHBBNSA-N	-2	0	335.356	2.211	40	0		EEABRL
Cc1cccc(NC(=O)COc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000217726058	241271227	/nfs/dbraw/zinc/27/12/27/241271227.db2.gz	OAULSUUFUNULTG-UHFFFAOYSA-N	-2	0	329.308	2.409	40	0		EEABRL
Cc1c(Br)c([O-])c(Br)cc1S(=O)(=O)[O-]	ZINC000001712815	462586911	/nfs/dbraw/zinc/58/69/11/462586911.db2.gz	WTXMXWMKRADLIU-UHFFFAOYSA-N	-2	0	345.996	2.472	40	0		EEABRL
CCCCCCC1=C(CC(=O)[O-])C(=O)N([C@H](C(=O)[O-])C(C)C)C1=O	ZINC000253404702	1277752581	/nfs/dbraw/zinc/75/25/81/1277752581.db2.gz	RJJNBBAUXWZACM-AWEZNQCLSA-N	-2	0	339.388	2.206	40	0	biogenic,in-vitro	EEABRL
COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000007230443	462726863	/nfs/dbraw/zinc/72/68/63/462726863.db2.gz	QAJZJMLPNNECQT-UHFFFAOYSA-N	-2	0	325.317	2.333	40	0		EEABRL
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000047948968	204338123	/nfs/dbraw/zinc/33/81/23/204338123.db2.gz	YOYUFTGLOZHRCM-UHFFFAOYSA-N	-2	0	337.353	2.203	40	0		EEABRL
Cc1ccccc1NC(=O)C(=O)c1c([O-])c2ccc([O-])cc2oc1=O	ZINC000006491525	462686875	/nfs/dbraw/zinc/68/68/75/462686875.db2.gz	VWGOOIXPKLAHRN-UHFFFAOYSA-N	-2	0	339.303	2.334	40	0		EEABRL
O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cnc(C3CC3)s2)c1	ZINC000952994797	796142603	/nfs/dbraw/zinc/14/26/03/796142603.db2.gz	RWYFXPJUYGXQON-UHFFFAOYSA-N	-2	0	338.410	2.448	40	0		EEABRL
CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1	ZINC000337023573	465151509	/nfs/dbraw/zinc/15/15/09/465151509.db2.gz	AYOKCNQQZBTZTA-UHFFFAOYSA-N	-2	0	337.353	2.290	40	0		EEABRL
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000013059501	462883941	/nfs/dbraw/zinc/88/39/41/462883941.db2.gz	OYXWXAKATHWDMF-UHFFFAOYSA-N	-2	0	335.337	2.192	40	0		EEABRL
CC(C)(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc2ccccc21	ZINC000863959899	1197937532	/nfs/dbraw/zinc/93/75/32/1197937532.db2.gz	RKSUPUORXKNBTR-CQSZACIVSA-N	-2	0	349.408	2.392	40	0		EEABRL
O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)CC1	ZINC000275246711	269104205	/nfs/dbraw/zinc/10/42/05/269104205.db2.gz	KWQZSCICNIFEMU-MGCOHNPYSA-N	-2	0	333.356	2.134	40	0		EEABRL
CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1	ZINC000339075058	160826649	/nfs/dbraw/zinc/82/66/49/160826649.db2.gz	KMADPIFYQMOHDQ-UHFFFAOYSA-N	-2	0	340.357	2.053	40	0		EEABRL
O=C([O-])c1cccc(NC(=O)CC(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000001646838	462584851	/nfs/dbraw/zinc/58/48/51/462584851.db2.gz	DUHRYWLCVXIPSI-UHFFFAOYSA-N	-2	0	342.307	2.050	40	0		EEABRL
C[C@@H](O)[C@H](NC(=O)CCCCCCCCCCCC(=O)[O-])C(=O)[O-]	ZINC001549184297	1121145537	/nfs/dbraw/zinc/14/55/37/1121145537.db2.gz	QYCKAIPDXPEVHP-CJNGLKHVSA-N	-2	0	345.436	2.312	40	0		EEABRL
O=C([O-])COc1cc(Br)c([O-])c(Br)c1	ZINC000002566059	462595073	/nfs/dbraw/zinc/59/50/73/462595073.db2.gz	QGTZHPLLOLDFON-UHFFFAOYSA-N	-2	0	325.940	2.381	40	0		EEABRL
O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccsc2)n1	ZINC000349081231	465954334	/nfs/dbraw/zinc/95/43/34/465954334.db2.gz	IJVBTKKOPKQKAM-UHFFFAOYSA-N	-2	0	349.393	2.433	40	0		EEABRL
Cc1[n-]n2c(nc(C)c(CCC(=O)[O-])c2=O)c1-c1ccc(F)cc1	ZINC000020153775	212107158	/nfs/dbraw/zinc/10/71/58/212107158.db2.gz	QVMVOGJZYUWKDQ-UHFFFAOYSA-N	-2	0	329.331	2.463	40	0		EEABRL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]nc2C)cc1)C(=O)[O-]	ZINC000361773273	466275666	/nfs/dbraw/zinc/27/56/66/466275666.db2.gz	RHUHRPXAEOJGQE-LBPRGKRZSA-N	-2	0	337.401	2.172	40	0		EEABRL
O=C([O-])c1cc(OCC(=O)Nc2ccccc2F)cc(C(=O)[O-])c1	ZINC000217726538	241272681	/nfs/dbraw/zinc/27/26/81/241272681.db2.gz	AFTDAXYIHVZGBB-UHFFFAOYSA-N	-2	0	333.271	2.240	40	0		EEABRL
C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)ccc2O1	ZINC000343852553	161174671	/nfs/dbraw/zinc/17/46/71/161174671.db2.gz	GWOGCTLPZQVPBQ-SECBINFHSA-N	-2	0	349.364	2.215	40	0		EEABRL
O=C([O-])c1nnsc1-c1ccc(-c2snnc2C(=O)[O-])cc1	ZINC000001709783	462586225	/nfs/dbraw/zinc/58/62/25/462586225.db2.gz	FKLUDLBKVQQJJO-UHFFFAOYSA-N	-2	0	334.338	2.120	40	0	in-vitro	EEABRL
CCC(CC)n1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C	ZINC001548453579	1110499616	/nfs/dbraw/zinc/49/96/16/1110499616.db2.gz	CYWCHNGEHAIMMX-UHFFFAOYSA-N	-2	0	340.405	2.380	40	0		EEABRL
COc1ccc(-c2c(C)[n-]n3c2nc(C)c(CCC(=O)[O-])c3=O)cc1	ZINC000020153778	212107689	/nfs/dbraw/zinc/10/76/89/212107689.db2.gz	OZVUDICFIDGMCI-UHFFFAOYSA-N	-2	0	341.367	2.332	40	0		EEABRL
O=C([O-])[C@H](c1ccccc1)S(=O)(=O)[C@H](C(=O)[O-])c1ccccc1	ZINC000001702008	462584767	/nfs/dbraw/zinc/58/47/67/462584767.db2.gz	OYOBGAMJVFCGJH-KBPBESRZSA-N	-2	0	334.349	2.053	40	0		EEABRL
O=C([O-])[C@@H](c1ccccc1)S(=O)(=O)[C@@H](C(=O)[O-])c1ccccc1	ZINC000001702011	462585478	/nfs/dbraw/zinc/58/54/78/462585478.db2.gz	OYOBGAMJVFCGJH-ZIAGYGMSSA-N	-2	0	334.349	2.053	40	0		EEABRL
CC(=O)Oc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1C(=O)[O-]	ZINC000001670311	462585687	/nfs/dbraw/zinc/58/56/87/462585687.db2.gz	UVJGXBMYXPLGQQ-UHFFFAOYSA-N	-2	0	349.364	2.419	40	0		EEABRL
COC(=O)c1cc(OC)cc([O-])c1C(=O)c1c([O-])cc(C)cc1O	ZINC000013660257	292002589	/nfs/dbraw/zinc/00/25/89/292002589.db2.gz	XKIBNYJGNBTYMP-UHFFFAOYSA-N	-2	0	332.308	2.138	40	0	biogenic,in-vitro	EEABRL
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000437654824	315045673	/nfs/dbraw/zinc/04/56/73/315045673.db2.gz	FEFIFJZVVRTDIZ-UHFFFAOYSA-N	-2	0	349.412	2.452	40	0		EEABRL
Cc1nnc(S/C(=C\c2ccc(OCC(=O)[O-])cc2)C(=O)[O-])o1	ZINC000007603697	462741275	/nfs/dbraw/zinc/74/12/75/462741275.db2.gz	LABKWADBIIPPTC-WDZFZDKYSA-N	-2	0	336.325	2.059	40	0		EEABRL
COCc1ccccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1	ZINC000351826368	465384413	/nfs/dbraw/zinc/38/44/13/465384413.db2.gz	GJIWKGUFBCHYFX-UHFFFAOYSA-N	-2	0	339.344	2.471	40	0		EEABRL
O=S(=O)([O-])c1ccccc1/C=C/c1ccccc1S(=O)(=O)[O-]	ZINC000003844587	462624561	/nfs/dbraw/zinc/62/45/61/462624561.db2.gz	NSMMFSKPGXCMOE-MDZDMXLPSA-N	-2	0	340.378	2.350	40	0		EEABRL
CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1	ZINC000164615219	159746445	/nfs/dbraw/zinc/74/64/45/159746445.db2.gz	HXONKHJIBOLMRS-UHFFFAOYSA-N	-2	0	343.430	2.490	40	0		EEABRL
CC(C)CCn1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1	ZINC000164540330	463625347	/nfs/dbraw/zinc/62/53/47/463625347.db2.gz	RBAJALJVMWBIHI-UHFFFAOYSA-N	-2	0	343.430	2.490	40	0		EEABRL
COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000096697651	463296597	/nfs/dbraw/zinc/29/65/97/463296597.db2.gz	YIGWTVSMRZBKHM-UHFFFAOYSA-N	-2	0	325.317	2.333	40	0		EEABRL
O=C([O-])CC/C=C\C[C@@H](O)/C=C/C=C\C=C\[C@@H](O)CCCC(=O)[O-]	ZINC000043898711	463661642	/nfs/dbraw/zinc/66/16/42/463661642.db2.gz	XWRIIHRGMKHPHN-BGPKIDSZSA-N	-2	0	338.400	2.443	40	0	in-vitro	EEABRL
CCCCCCC1=C(CC(=O)[O-])C(=O)N([C@@H](C(=O)[O-])C(C)C)C1=O	ZINC000253404706	1277752599	/nfs/dbraw/zinc/75/25/99/1277752599.db2.gz	RJJNBBAUXWZACM-CQSZACIVSA-N	-2	0	339.388	2.206	40	0	biogenic,in-vitro	EEABRL
O=C([O-])/C=C/c1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1	ZINC000008701475	462792188	/nfs/dbraw/zinc/79/21/88/462792188.db2.gz	QSRRYAZHKJYRDN-LZCJLJQNSA-N	-2	0	339.760	2.029	40	0		EEABRL
C[C@H](O)[C@H](NC(=O)CCCCCCCCCCCC(=O)[O-])C(=O)[O-]	ZINC001549184295	1121145033	/nfs/dbraw/zinc/14/50/33/1121145033.db2.gz	QYCKAIPDXPEVHP-BBRMVZONSA-N	-2	0	345.436	2.312	40	0		EEABRL
O=C([O-])CCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC001549184268	1121145064	/nfs/dbraw/zinc/14/50/64/1121145064.db2.gz	OOKPYPSVSYFHEP-AWEZNQCLSA-N	-2	0	345.436	2.314	40	0		EEABRL
C[C@]1(C(=O)[O-])CN(C(=O)OCc2ccccc2)C[C@](C)(C(=O)[O-])C1	ZINC000095921552	218450713	/nfs/dbraw/zinc/45/07/13/218450713.db2.gz	NQONQVXXZZVOMU-IAGOWNOFSA-N	-2	0	335.356	2.211	40	0		EEABRL
O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1cccc(F)c1F	ZINC000292587559	464281631	/nfs/dbraw/zinc/28/16/31/464281631.db2.gz	ZVVVWIXVXFDSEZ-KOLCDFICSA-N	-2	0	333.356	2.277	40	0		EEABRL
Cc1cnn(C)c1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])CCCC2	ZINC000328978577	311637528	/nfs/dbraw/zinc/63/75/28/311637528.db2.gz	CLEKBTURTOOBOB-UHFFFAOYSA-N	-2	0	349.412	2.106	40	0		EEABRL