smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000009261619	521952416	/nfs/dbraw/zinc/95/24/16/521952416.db2.gz	PIYRCUVUUHLZNK-IIMOYHKFSA-N	-2	0	456.476	3.479	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059679107	569607459	/nfs/dbraw/zinc/60/74/59/569607459.db2.gz	JXGHYCQQFMZKOM-WOJGMQOQSA-N	-2	0	480.542	3.335	40	30		JGEBRL
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)NCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000098088373	569750733	/nfs/dbraw/zinc/75/07/33/569750733.db2.gz	BGOFOVHACSQSIE-CYBMUJFWSA-N	-2	0	474.555	3.150	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000408774468	570039827	/nfs/dbraw/zinc/03/98/27/570039827.db2.gz	OKAPHYPIURYZKZ-XDHOZWIPSA-N	-2	0	464.474	3.252	40	30		JGEBRL
C=CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408944718	570083295	/nfs/dbraw/zinc/08/32/95/570083295.db2.gz	UVDRKAVVQKGPIJ-LFIBNONCSA-N	-2	0	471.263	3.379	40	30		JGEBRL
Cc1[n-]n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000025501839	556218426	/nfs/dbraw/zinc/21/84/26/556218426.db2.gz	RGCSLFPTDKQNOX-PXLXIMEGSA-N	-2	0	452.305	3.418	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3CC)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059302431	195397187	/nfs/dbraw/zinc/39/71/87/195397187.db2.gz	JEILPSRRVXCNIB-LDADJPATSA-N	-2	0	480.542	3.281	40	30		JGEBRL
COc1cc(/C=C2\CC/C(=C\c3ccc(OCC(=O)[O-])c(OC)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000013914378	521963378	/nfs/dbraw/zinc/96/33/78/521963378.db2.gz	JVSVCADPZHFSFV-BEQMOXJMSA-N	-2	0	468.458	3.461	40	30		JGEBRL
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000008917767	554813265	/nfs/dbraw/zinc/81/32/65/554813265.db2.gz	BKULYGKWNYMZML-KSELVJHUSA-N	-2	0	490.597	3.117	40	30		JGEBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccccc1C#N	ZINC000408604539	569970509	/nfs/dbraw/zinc/97/05/09/569970509.db2.gz	KDBUWMNABLPTPU-CSKARUKUSA-N	-2	0	477.433	3.254	40	30		JGEBRL
Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)cc1	ZINC000408721115	570026645	/nfs/dbraw/zinc/02/66/45/570026645.db2.gz	KSKCRZULRXNSBS-MSXFZWOLSA-N	-2	0	470.449	3.008	40	30		JGEBRL
CCOc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCC(=O)[O-]	ZINC000409069474	570117692	/nfs/dbraw/zinc/11/76/92/570117692.db2.gz	XVNOQLOOPCHNEK-UHFFFAOYSA-N	-2	0	483.517	3.437	40	30		JGEBRL
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118917686	569863261	/nfs/dbraw/zinc/86/32/61/569863261.db2.gz	BKULYGKWNYMZML-FVSIADBZSA-N	-2	0	490.597	3.117	40	30		JGEBRL
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000217339321	569879947	/nfs/dbraw/zinc/87/99/47/569879947.db2.gz	BKULYGKWNYMZML-NEOFNSQDSA-N	-2	0	490.597	3.117	40	30		JGEBRL
Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1	ZINC000408721555	570027066	/nfs/dbraw/zinc/02/70/66/570027066.db2.gz	SVTWLKMUFATYTE-MSXFZWOLSA-N	-2	0	470.449	3.008	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1O	ZINC000409189805	570161519	/nfs/dbraw/zinc/16/15/19/570161519.db2.gz	SXSKXMRFRLAXSA-GZTJUZNOSA-N	-2	0	452.488	3.049	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059248862	195396012	/nfs/dbraw/zinc/39/60/12/195396012.db2.gz	OORMCVLIEGWQGS-WOJGMQOQSA-N	-2	0	464.474	3.170	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059249248	195396057	/nfs/dbraw/zinc/39/60/57/195396057.db2.gz	GAVVSJYNGFGXRM-RQZCQDPDSA-N	-2	0	470.865	3.207	40	30		JGEBRL
Cc1[n-]n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c1N=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000021548783	520893582	/nfs/dbraw/zinc/89/35/82/520893582.db2.gz	QQECEHZMCSYVEG-PXLXIMEGSA-N	-2	0	452.305	3.418	40	30		JGEBRL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccc2c(c1)OCCO2	ZINC000012565810	556063231	/nfs/dbraw/zinc/06/32/31/556063231.db2.gz	NZJQVMHNGXQCOH-YDZHTSKRSA-N	-2	0	498.473	3.311	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059678394	569607473	/nfs/dbraw/zinc/60/74/73/569607473.db2.gz	DGZGSRMQBBAAMQ-YBFXNURJSA-N	-2	0	480.542	3.335	40	30		JGEBRL
COc1cc(/C=N/Cc2ccc(C(=O)[O-])cc2)cc(I)c1OCC(=O)[O-]	ZINC000408904556	570070300	/nfs/dbraw/zinc/07/03/00/570070300.db2.gz	LJAPFYLDDYZTFG-AWQFTUOYSA-N	-2	0	469.231	3.081	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059248619	195395804	/nfs/dbraw/zinc/39/58/04/195395804.db2.gz	RNXOJYZJRRQNIO-GZTJUZNOSA-N	-2	0	466.515	3.027	40	30		JGEBRL
C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000016195375	519125861	/nfs/dbraw/zinc/12/58/61/519125861.db2.gz	MKJTWEQZOKGWFK-PXNMLYILSA-N	-2	0	480.429	3.123	40	30		JGEBRL
C/C(=N\O)c1ccc2c(c1)OCCOCCOc1ccc(/C(C)=N/O)cc1OCCOCCO2	ZINC000101660567	569802652	/nfs/dbraw/zinc/80/26/52/569802652.db2.gz	SZZZEBJVVGKPAC-RPCRKUJJSA-N	-2	0	474.510	3.345	40	30		JGEBRL
COc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])cc(I)c1OCC(=O)[O-]	ZINC000408904352	570070283	/nfs/dbraw/zinc/07/02/83/570070283.db2.gz	IEZAEFWMFGAIQJ-CNHKJKLMSA-N	-2	0	472.191	3.128	40	30		JGEBRL
CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1[O-]	ZINC000409030328	570105709	/nfs/dbraw/zinc/10/57/09/570105709.db2.gz	DAGJYDOLRVFVSO-UHFFFAOYSA-N	-2	0	456.451	3.197	40	30		JGEBRL
O=C([O-])COc1ccc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc1Cl	ZINC000409078509	570120839	/nfs/dbraw/zinc/12/08/39/570120839.db2.gz	IODZNYOJBSYHAR-UHFFFAOYSA-N	-2	0	459.882	3.301	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059303455	195397214	/nfs/dbraw/zinc/39/72/14/195397214.db2.gz	QHSWYOXPLXYCON-WOJGMQOQSA-N	-2	0	466.515	3.027	40	30		JGEBRL
COc1cc(/C=N/c2cccc(C(=O)[O-])c2)cc(I)c1OCC(=O)[O-]	ZINC000144018248	569867678	/nfs/dbraw/zinc/86/76/78/569867678.db2.gz	PRYCJQGFPXCDSG-UFWORHAWSA-N	-2	0	455.204	3.212	40	30		JGEBRL
C=CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Br	ZINC000408936427	570081506	/nfs/dbraw/zinc/08/15/06/570081506.db2.gz	GHIVWZFIUOIAIP-XNTDXEJSSA-N	-2	0	471.263	3.379	40	30		JGEBRL
COc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)[O-]	ZINC000409075905	570119971	/nfs/dbraw/zinc/11/99/71/570119971.db2.gz	ZAFQRTXCZGYHMI-UHFFFAOYSA-N	-2	0	489.908	3.310	40	30		JGEBRL
Cc1cc(C2(c3cc(C)c(O)c(C(=O)[O-])c3)OS(=O)(=O)c3ccccc32)cc(C(=O)[O-])c1O	ZINC000003954279	194367327	/nfs/dbraw/zinc/36/73/27/194367327.db2.gz	LGKSNCHFKPHIJM-UHFFFAOYSA-N	-2	0	470.455	3.122	40	30	in-vitro	JGEBRL
COc1cc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000009261622	521952383	/nfs/dbraw/zinc/95/23/83/521952383.db2.gz	PIYRCUVUUHLZNK-XEOCTJAHSA-N	-2	0	456.476	3.479	40	30		JGEBRL
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000012477822	525350405	/nfs/dbraw/zinc/35/04/05/525350405.db2.gz	BKULYGKWNYMZML-KFZDWXQXSA-N	-2	0	490.597	3.117	40	30		JGEBRL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2ccccc2O)c([N+](=O)[O-])c1	ZINC000013527887	555488067	/nfs/dbraw/zinc/48/80/67/555488067.db2.gz	VXPDJUFYBKDIAT-CIAFOILYSA-N	-2	0	456.436	3.245	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059679246	569607551	/nfs/dbraw/zinc/60/75/51/569607551.db2.gz	FHWDUWJPAFUHEQ-RQZCQDPDSA-N	-2	0	486.933	3.372	40	30		JGEBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(=O)Nc1ccc(C#N)cc1	ZINC000408608146	569971772	/nfs/dbraw/zinc/97/17/72/569971772.db2.gz	VECGKEAMAASSSN-UXBLZVDNSA-N	-2	0	477.433	3.254	40	30		JGEBRL
COc1cc(C2C3=C(CCCC3=O)N(CCC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCC(=O)[O-]	ZINC000409070334	570118015	/nfs/dbraw/zinc/11/80/15/570118015.db2.gz	FLXIZFVQXWBHND-UHFFFAOYSA-N	-2	0	469.490	3.047	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059302635	195397225	/nfs/dbraw/zinc/39/72/25/195397225.db2.gz	WLPKBRGLOIMEDJ-YBFXNURJSA-N	-2	0	480.542	3.335	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(OCC)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059302224	195397377	/nfs/dbraw/zinc/39/73/77/195397377.db2.gz	HYDKUGAECNMVBN-YBFXNURJSA-N	-2	0	496.541	3.117	40	30		JGEBRL
Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2ccc(-c3ccccc3C(=O)[O-])o2)cc1	ZINC000408721720	570026998	/nfs/dbraw/zinc/02/69/98/570026998.db2.gz	XRDTVUQZQWMBPN-MSXFZWOLSA-N	-2	0	470.449	3.008	40	30		JGEBRL
COc1cc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409012078	570099900	/nfs/dbraw/zinc/09/99/00/570099900.db2.gz	ISESMRGHVFFJIK-YXIVJGLISA-N	-2	0	456.476	3.479	40	30		JGEBRL
CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)ccc1OCC(=O)[O-]	ZINC000409044403	570108246	/nfs/dbraw/zinc/10/82/46/570108246.db2.gz	BXGNGYIAPHSBQP-UHFFFAOYSA-N	-2	0	469.490	3.047	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1OC	ZINC000409191965	570162245	/nfs/dbraw/zinc/16/22/45/570162245.db2.gz	RFWXPZIWZMPLDW-LDADJPATSA-N	-2	0	466.515	3.352	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059303140	195397348	/nfs/dbraw/zinc/39/73/48/195397348.db2.gz	UJOHAPSVLRMRFX-WOJGMQOQSA-N	-2	0	480.542	3.335	40	30		JGEBRL
CCOc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000035657272	520631338	/nfs/dbraw/zinc/63/13/38/520631338.db2.gz	NYIOQWCOOYUGPL-OUNVDXJTSA-N	-2	0	456.476	3.481	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000408914916	570074815	/nfs/dbraw/zinc/07/48/15/570074815.db2.gz	ZSUQPOSAQBZOOY-VCHYOVAHSA-N	-2	0	468.437	3.083	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc(OCC)c1OCC(=O)[O-]	ZINC000409065474	570116232	/nfs/dbraw/zinc/11/62/32/570116232.db2.gz	IQJGDULMRKNSRT-DEDYPNTBSA-N	-2	0	494.500	3.342	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059302723	195397354	/nfs/dbraw/zinc/39/73/54/195397354.db2.gz	VDNDGKJQWXMYHF-WOJGMQOQSA-N	-2	0	466.515	3.027	40	30		JGEBRL
COc1cc(/C=C2\SC(=Nc3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409012075	570099923	/nfs/dbraw/zinc/09/99/23/570099923.db2.gz	ISESMRGHVFFJIK-DMBUTFNESA-N	-2	0	456.476	3.479	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000409067731	570117066	/nfs/dbraw/zinc/11/70/66/570117066.db2.gz	PPJWFKVWFBCQSW-XNTDXEJSSA-N	-2	0	470.865	3.207	40	30		JGEBRL
C=CCc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc(OC)c1OCC(=O)[O-]	ZINC000409068776	570117451	/nfs/dbraw/zinc/11/74/51/570117451.db2.gz	VLDPSDYFBBEDEM-UHFFFAOYSA-N	-2	0	495.528	3.385	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000059248256	195395947	/nfs/dbraw/zinc/39/59/47/195395947.db2.gz	AFJYSUXCVKYWLV-YBFXNURJSA-N	-2	0	464.474	3.170	40	30		JGEBRL
C=CCc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000408595429	569966193	/nfs/dbraw/zinc/96/61/93/569966193.db2.gz	WTSVIXNIQXQFHK-YBFXNURJSA-N	-2	0	480.473	3.068	40	30		JGEBRL
COc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3C)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000408943248	570083080	/nfs/dbraw/zinc/08/30/80/570083080.db2.gz	YPPCSQDSAASMGB-PMKWZRIOSA-N	-2	0	456.476	3.399	40	30		JGEBRL
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C#N)cc1	ZINC000409190939	570161811	/nfs/dbraw/zinc/16/18/11/570161811.db2.gz	CAMWNPNKWVONTF-CIAFOILYSA-N	-2	0	470.510	3.495	40	30		JGEBRL
COc1cccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])c1O	ZINC000013126635	556341907	/nfs/dbraw/zinc/34/19/07/556341907.db2.gz	CDAUXBBNVCXWHV-WSDLNYQXSA-N	-2	0	486.462	3.254	40	30		JGEBRL
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@H]2O	ZINC000118917687	569863265	/nfs/dbraw/zinc/86/32/65/569863265.db2.gz	BKULYGKWNYMZML-MOENXCRVSA-N	-2	0	490.597	3.117	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408847229	570054765	/nfs/dbraw/zinc/05/47/65/570054765.db2.gz	MHVSLIVWHYWQBI-LICLKQGHSA-N	-2	0	486.933	3.372	40	30		JGEBRL
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccc2ccccc2c1S(=O)(=O)[O-]	ZINC000013574786	555513405	/nfs/dbraw/zinc/51/34/05/555513405.db2.gz	GSTQUWBQXIJFAJ-PYCFMQQDSA-N	-2	0	453.436	3.185	40	30		JGEBRL
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O	ZINC000118919412	569863538	/nfs/dbraw/zinc/86/35/38/569863538.db2.gz	BKULYGKWNYMZML-JWUMPEAXSA-N	-2	0	490.597	3.117	40	30		JGEBRL
C/C(=N\c1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c21)c1cc2ccccc2oc1=O	ZINC000016137279	518472326	/nfs/dbraw/zinc/47/23/26/518472326.db2.gz	JLAMMLNNJYBZKC-SSDVNMTOSA-N	-2	0	489.483	3.286	40	30		JGEBRL
Cc1cc(C(c2cc(C)c(O)c(C(=O)[O-])c2)=C2C=C(C)C(=O)C(C(=O)[O-])=C2)cc(C(=O)[O-])c1O	ZINC000004974299	524209646	/nfs/dbraw/zinc/20/96/46/524209646.db2.gz	HNIYZPOKRGNVEA-UHFFFAOYSA-N	-3	0	464.426	3.453	40	30		JGEBRL
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000111499417	569860985	/nfs/dbraw/zinc/86/09/85/569860985.db2.gz	AVGNJSUAGRAFHV-YBFXNURJSA-N	-2	0	464.474	3.170	40	30		JGEBRL