smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000007053463	453023800	/nfs/dbraw/zinc/02/38/00/453023800.db2.gz	JKXQYLYNVKYLCM-UHFFFAOYSA-N	-2	3	337.372	3.196	40	0		EGABHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1	ZINC000047318054	204337022	/nfs/dbraw/zinc/33/70/22/204337022.db2.gz	SNARQOMCSVWFJP-UHFFFAOYSA-N	-2	3	339.800	3.456	40	0		EGABHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1	ZINC000005132844	452838825	/nfs/dbraw/zinc/83/88/25/452838825.db2.gz	PCUUWZNYESOTAW-UHFFFAOYSA-N	-2	3	339.800	3.158	40	0		EGABHL
CCCc1nc(SC(=Cc2ccc(OCC)cc2)C(=O)[O-])n[n-]1	ZINC000007342245	453061835	/nfs/dbraw/zinc/06/18/35/453061835.db2.gz	VNKBCBVQXWIIGC-RAXLEYEMSA-N	-2	3	333.413	3.374	40	0		EGABHL
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C)c1	ZINC000014097287	453505001	/nfs/dbraw/zinc/50/50/01/453505001.db2.gz	ODCBTYLKYCFAIA-UHFFFAOYSA-N	-2	3	333.409	3.419	40	0		EGABHL
CCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217636196	535203627	/nfs/dbraw/zinc/20/36/27/535203627.db2.gz	NQTDMUDQDQYRBE-UHFFFAOYSA-N	-2	3	334.397	3.008	40	0		EGABHL
CCc1nc(SC(=Cc2ccc(OC)c(Cl)c2)C(=O)[O-])n[n-]1	ZINC000007342609	453060951	/nfs/dbraw/zinc/06/09/51/453060951.db2.gz	IBNVIRWFAUSEIL-YRNVUSSQSA-N	-2	3	339.804	3.247	40	0		EGABHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1C	ZINC000005135069	452838286	/nfs/dbraw/zinc/83/82/86/452838286.db2.gz	RZCORUHJFLDVIB-UHFFFAOYSA-N	-2	3	337.372	3.250	40	0		EGABHL
CCCc1nc(SC(=Cc2cc(Cl)ccc2[O-])C(=O)[O-])n[nH]1	ZINC000007342191	453061410	/nfs/dbraw/zinc/06/14/10/453061410.db2.gz	AMVOPTCNGBXQKZ-XFFZJAGNSA-N	-2	3	339.804	3.334	40	0		EGABHL
CCCc1nc(SC(=Cc2c[nH]c3ccccc23)C(=O)[O-])n[n-]1	ZINC000408630710	457583186	/nfs/dbraw/zinc/58/31/86/457583186.db2.gz	CEKWXENNAYWNKC-JYRVWZFOSA-N	-2	3	328.397	3.456	40	0		EGABHL
O=C([O-])c1cc(Cl)c(Cl)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000226354459	205131614	/nfs/dbraw/zinc/13/16/14/205131614.db2.gz	DQSMPRWRWBQZSU-UHFFFAOYSA-N	-2	3	346.191	3.492	40	0		EGABHL
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1	ZINC000007053374	453024422	/nfs/dbraw/zinc/02/44/22/453024422.db2.gz	ZTMOVNWXYYFFSA-UHFFFAOYSA-N	-2	3	337.372	3.250	40	0		EGABHL
CCCOc1ccccc1C(c1c(C)[n-][nH]c1=O)c1c(C)[n-][nH]c1=O	ZINC000096193546	203858869	/nfs/dbraw/zinc/85/88/69/203858869.db2.gz	XJPVDTCUFSHPFY-UHFFFAOYSA-N	-2	3	342.399	3.130	40	0		EGABHL
CCc1nc(SC(=Cc2ccc(OC(C)C)cc2)C(=O)[O-])n[n-]1	ZINC000007342556	453060977	/nfs/dbraw/zinc/06/09/77/453060977.db2.gz	QYQZLTUSTSBRGK-LCYFTJDESA-N	-2	3	333.413	3.372	40	0		EGABHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1C	ZINC000008105631	453162070	/nfs/dbraw/zinc/16/20/70/453162070.db2.gz	RWOSFAGBFJWDKS-UHFFFAOYSA-N	-2	3	341.335	3.081	40	0		EGABHL
CCc1nc(SC(=Cc2ccc(N(CC)CC)o2)C(=O)[O-])n[n-]1	ZINC000213399594	456024303	/nfs/dbraw/zinc/02/43/03/456024303.db2.gz	OQSMAPPKIFCKRS-LUAWRHEFSA-N	-2	3	336.417	3.024	40	0		EGABHL
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1	ZINC000005132757	210396881	/nfs/dbraw/zinc/39/68/81/210396881.db2.gz	VRLXTSAGGWLYDG-UHFFFAOYSA-N	-2	3	333.409	3.121	40	0		EGABHL
C=CCOc1cccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])c1	ZINC000007342429	453061790	/nfs/dbraw/zinc/06/17/90/453061790.db2.gz	XKVKMBMORXCZIX-RAXLEYEMSA-N	-2	3	331.397	3.150	40	0		EGABHL
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(C)s1	ZINC000024433360	453733584	/nfs/dbraw/zinc/73/35/84/453733584.db2.gz	JTEQEJXQIQTCRQ-UHFFFAOYSA-N	-2	3	329.374	3.003	40	0		EGABHL
CC(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217636514	535170643	/nfs/dbraw/zinc/17/06/43/535170643.db2.gz	GNGKZSNMAVBSEV-UHFFFAOYSA-N	-2	3	348.424	3.254	40	0		EGABHL
CCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1	ZINC000007709520	210835015	/nfs/dbraw/zinc/83/50/15/210835015.db2.gz	WSJZYVZKPHLNMA-UHFFFAOYSA-N	-2	3	333.409	3.447	40	0		EGABHL
O=C(Nc1ccc2c([O-])cc(S(=O)(=O)[O-])cc2c1)c1ccccc1	ZINC000001669796	452672606	/nfs/dbraw/zinc/67/26/06/452672606.db2.gz	ZLHGMJOGMLVDFS-UHFFFAOYSA-N	-2	3	343.360	3.044	40	0		EGABHL
CC(=O)Nc1ccc(Sc2ccc(NC(C)=O)cc2[O-])c([O-])c1	ZINC000001679981	452675708	/nfs/dbraw/zinc/67/57/08/452675708.db2.gz	VRMOCGBCEYQIKR-UHFFFAOYSA-N	-2	3	332.381	3.166	40	0		EGABHL
Cc1nc(C=Cc2cnc(C(C)(C)C)s2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503750	455970788	/nfs/dbraw/zinc/97/07/88/455970788.db2.gz	HSOSEHXXHFXMLZ-FNORWQNLSA-N	-2	3	347.440	3.020	40	0		EGABHL
O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000013340869	453459995	/nfs/dbraw/zinc/45/99/95/453459995.db2.gz	PKOZQNUWYRNPKX-UHFFFAOYSA-N	-2	3	346.191	3.492	40	0		EGABHL
C=CCOc1ccccc1C=C(Sc1n[n-]c(CC)n1)C(=O)[O-]	ZINC000007342430	453061638	/nfs/dbraw/zinc/06/16/38/453061638.db2.gz	MWXGDFTWVMKPEU-RAXLEYEMSA-N	-2	3	331.397	3.150	40	0		EGABHL
COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1C(=O)[O-]	ZINC000226856895	242117437	/nfs/dbraw/zinc/11/74/37/242117437.db2.gz	XJTJPQWXWOMNIH-UHFFFAOYSA-N	-2	3	349.408	3.119	40	0		EGABHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000001018879	452640577	/nfs/dbraw/zinc/64/05/77/452640577.db2.gz	HAVYTIYCFVNURW-UHFFFAOYSA-N	-2	3	325.773	3.147	40	0		EGABHL
CCc1nnc(S/C(=C\c2cc(Cl)ccc2[O-])C(=O)[O-])o1	ZINC000007342626	453062293	/nfs/dbraw/zinc/06/22/93/453062293.db2.gz	WYXKEYAIIAXDGK-POHAHGRESA-N	-2	3	326.761	3.209	40	0		EGABHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1	ZINC000013340834	453459409	/nfs/dbraw/zinc/45/94/09/453459409.db2.gz	VGIKAINGXVDGCD-UHFFFAOYSA-N	-2	3	346.191	3.492	40	0		EGABHL
COc1cccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3[O-])oc21	ZINC000408567640	457581815	/nfs/dbraw/zinc/58/18/15/457581815.db2.gz	FYQSFWMBYXIMFF-UHFFFAOYSA-N	-2	3	327.292	3.098	40	0		EGABHL
Cc1ccc(N[C@H](c2ccncc2)c2c([O-])[nH]c(=S)[n-]c2=O)cc1	ZINC000223813926	301649814	/nfs/dbraw/zinc/64/98/14/301649814.db2.gz	CTCDMYCHXRIMBD-CQSZACIVSA-N	-2	3	340.408	3.043	40	0		EGABHL
CCCc1nc(SC(=Cc2ccc(O)c(OCC)c2)C(=O)[O-])n[n-]1	ZINC000007342248	453060753	/nfs/dbraw/zinc/06/07/53/453060753.db2.gz	SINAIRNHCCHQSZ-LCYFTJDESA-N	-2	3	349.412	3.079	40	0		EGABHL
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1	ZINC000078276210	454222089	/nfs/dbraw/zinc/22/20/89/454222089.db2.gz	TZAJOTZNLLHTMT-UHFFFAOYSA-N	-2	3	333.409	3.419	40	0		EGABHL
O=P([O-])([O-])[C@H](NCCc1ccccc1)c1ccc(Cl)cc1	ZINC000065090415	454528528	/nfs/dbraw/zinc/52/85/28/454528528.db2.gz	WAZXFLOMQODWJP-HNNXBMFYSA-N	-2	3	325.732	3.349	40	0		EGABHL
Cc1ccccc1CN[C@@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-]	ZINC000012949542	302099763	/nfs/dbraw/zinc/09/97/63/302099763.db2.gz	YKOCNUHEGLTFQE-OAHLLOKOSA-N	-2	3	327.267	3.239	40	0		EGABHL
O=P([O-])([O-])[C@@H](NCCc1ccccc1)c1ccc(Cl)cc1	ZINC000065090413	454528335	/nfs/dbraw/zinc/52/83/35/454528335.db2.gz	WAZXFLOMQODWJP-OAHLLOKOSA-N	-2	3	325.732	3.349	40	0		EGABHL
CCc1nc(SC(=Cc2ccc(N3CCCCC3)o2)C(=O)[O-])n[n-]1	ZINC000213391993	456023984	/nfs/dbraw/zinc/02/39/84/456023984.db2.gz	WMWFTFTZZQQGDZ-BENRWUELSA-N	-2	3	348.428	3.168	40	0		EGABHL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000006328230	452935856	/nfs/dbraw/zinc/93/58/56/452935856.db2.gz	YQNCFZQCKGWRDP-UHFFFAOYSA-N	-2	3	345.420	3.373	40	0		EGABHL
CCCc1nc(SC(=Cc2ccc(OC)cc2C)C(=O)[O-])n[n-]1	ZINC000007342305	453062318	/nfs/dbraw/zinc/06/23/18/453062318.db2.gz	NKDYFZDNNKJBHU-LCYFTJDESA-N	-2	3	333.413	3.292	40	0		EGABHL
O=P([O-])([O-])[C@H](NCc1ccc(F)cc1)c1cccc(Cl)c1	ZINC000012949557	453430054	/nfs/dbraw/zinc/43/00/54/453430054.db2.gz	CYLHBIAHHKDLBU-AWEZNQCLSA-N	-2	3	329.695	3.445	40	0		EGABHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1C	ZINC000036385043	453927919	/nfs/dbraw/zinc/92/79/19/453927919.db2.gz	KUATXNITAMPUED-UHFFFAOYSA-N	-2	3	341.335	3.081	40	0		EGABHL
CCc1nc(SC(=Cc2cn(C)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000213400615	456023862	/nfs/dbraw/zinc/02/38/62/456023862.db2.gz	YOXYFPYUYFIIOJ-JYRVWZFOSA-N	-2	3	328.397	3.077	40	0		EGABHL
CCc1nc(SC(=Cc2ccccc2OC(C)C)C(=O)[O-])n[n-]1	ZINC000007342545	453061383	/nfs/dbraw/zinc/06/13/83/453061383.db2.gz	IVJWUFQULWJRBJ-LCYFTJDESA-N	-2	3	333.413	3.372	40	0		EGABHL
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000008104670	453162027	/nfs/dbraw/zinc/16/20/27/453162027.db2.gz	NOZHETQGKHGASG-UHFFFAOYSA-N	-2	3	333.409	3.419	40	0		EGABHL
CC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217636629	241265598	/nfs/dbraw/zinc/26/55/98/241265598.db2.gz	PJHKOBVPEXIKPS-GFCCVEGCSA-N	-2	3	348.424	3.396	40	0		EGABHL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000007402746	453071006	/nfs/dbraw/zinc/07/10/06/453071006.db2.gz	XRHZTVNGLJZEQI-UHFFFAOYSA-N	-2	3	343.763	3.287	40	0		EGABHL
Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1	ZINC000007708194	453105896	/nfs/dbraw/zinc/10/58/96/453105896.db2.gz	VUBJINDYIDBEEX-UHFFFAOYSA-N	-2	3	333.409	3.419	40	0		EGABHL
O=C(Oc1ccccc1)c1cc(S(=O)(=O)[O-])c2ccccc2c1[O-]	ZINC000016490612	453609497	/nfs/dbraw/zinc/60/94/97/453609497.db2.gz	JFJOFSBJKCTDLH-UHFFFAOYSA-N	-2	3	344.344	3.011	40	0		EGABHL
Cc1ccc(N[C@@H](c2ccncc2)c2c([O-])[nH]c(=S)[n-]c2=O)cc1	ZINC000223813916	456061295	/nfs/dbraw/zinc/06/12/95/456061295.db2.gz	CTCDMYCHXRIMBD-AWEZNQCLSA-N	-2	3	340.408	3.043	40	0		EGABHL
CC(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000007055506	453025978	/nfs/dbraw/zinc/02/59/78/453025978.db2.gz	NZCAYAAWGIDZLY-UHFFFAOYSA-N	-2	3	337.372	3.448	40	0		EGABHL
O=C([O-])c1ccc(NC(=S)NCCCc2ccccc2)c([O-])c1	ZINC000408585756	457582063	/nfs/dbraw/zinc/58/20/63/457582063.db2.gz	JECNVXKHUAZILD-UHFFFAOYSA-N	-2	3	330.409	3.010	40	0		EGABHL
O=C([O-])c1cnc(C=Cc2csc(-c3ccc(F)cc3)n2)[n-]c1=O	ZINC000670369997	548201869	/nfs/dbraw/zinc/20/18/69/548201869.db2.gz	PQUWFTUHVWEDTQ-AATRIKPKSA-N	-2	3	343.339	3.313	40	0		EGABHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1Cl	ZINC000020301990	212117844	/nfs/dbraw/zinc/11/78/44/212117844.db2.gz	UUBPVGJGTCTVDX-UHFFFAOYSA-N	-2	3	346.191	3.492	40	0		EGABHL
CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1	ZINC000032081172	453864268	/nfs/dbraw/zinc/86/42/68/453864268.db2.gz	WBOFHXMGZOXCLS-UHFFFAOYSA-N	-2	3	333.409	3.384	40	0		EGABHL
CC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217636716	241265929	/nfs/dbraw/zinc/26/59/29/241265929.db2.gz	PJHKOBVPEXIKPS-LBPRGKRZSA-N	-2	3	348.424	3.396	40	0		EGABHL
CCCc1nc(SC(=Cc2ccccc2OCC)C(=O)[O-])n[n-]1	ZINC000007342319	453061483	/nfs/dbraw/zinc/06/14/83/453061483.db2.gz	HEEFHWDTSVHJPV-RAXLEYEMSA-N	-2	3	333.413	3.374	40	0		EGABHL
O=c1nc(-c2ccccc2)[n-]c2oc(=O)c(-c3ccccc3)c([O-])c12	ZINC000104238457	204101788	/nfs/dbraw/zinc/10/17/88/204101788.db2.gz	HFLPIVBMCBYORA-UHFFFAOYSA-N	-2	3	332.315	3.328	40	0		EGABHL
CCCc1nc(SC(=Cc2ccc(C)c(OC)c2)C(=O)[O-])n[n-]1	ZINC000007342270	453062004	/nfs/dbraw/zinc/06/20/04/453062004.db2.gz	OLUHIPZOPSITMM-LCYFTJDESA-N	-2	3	333.413	3.292	40	0		EGABHL
O=C([O-])C=Cc1ccc(NC(=O)c2n[n-]c(C3CC3)c2Cl)cc1	ZINC000096480401	454364158	/nfs/dbraw/zinc/36/41/58/454364158.db2.gz	KSXTXNVVZFVKJW-FPYGCLRLSA-N	-2	3	331.759	3.291	40	0		EGABHL
CCc1nc(SC(=Cc2c(C)[nH]c3ccccc32)C(=O)[O-])n[n-]1	ZINC000007342446	453061463	/nfs/dbraw/zinc/06/14/63/453061463.db2.gz	KROSWLVKMLUWSL-JYRVWZFOSA-N	-2	3	328.397	3.375	40	0		EGABHL
CCCOc1ccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc1	ZINC000007342602	453062088	/nfs/dbraw/zinc/06/20/88/453062088.db2.gz	LXDRSNFWLWHSKN-JLHYYAGUSA-N	-2	3	333.413	3.374	40	0		EGABHL
CCc1nc(SC(=Cc2cc(Cl)ccc2OC)C(=O)[O-])n[n-]1	ZINC000007342552	453062125	/nfs/dbraw/zinc/06/21/25/453062125.db2.gz	HHJSXNYVWAHVFP-XFFZJAGNSA-N	-2	3	339.804	3.247	40	0		EGABHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1C	ZINC000008107365	453160786	/nfs/dbraw/zinc/16/07/86/453160786.db2.gz	FFDACDJEGWMWOC-UHFFFAOYSA-N	-2	3	345.420	3.291	40	0		EGABHL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2	ZINC000014097355	453505255	/nfs/dbraw/zinc/50/52/55/453505255.db2.gz	VIOMAZCAVQFGMG-UHFFFAOYSA-N	-2	3	345.420	3.373	40	0		EGABHL
COc1cccc2cc(C(=O)Nc3cc(C(=O)[O-])ccc3[O-])oc21	ZINC000408567052	457581848	/nfs/dbraw/zinc/58/18/48/457581848.db2.gz	CNIOTMZWRKDWMG-UHFFFAOYSA-N	-2	3	327.292	3.098	40	0		EGABHL
CC(C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217636298	241264373	/nfs/dbraw/zinc/26/43/73/241264373.db2.gz	MDLGWYMJESXMOB-UHFFFAOYSA-N	-2	3	334.397	3.006	40	0		EGABHL
C[C@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)c2c([O-])cccc21	ZINC000663049831	461437658	/nfs/dbraw/zinc/43/76/58/461437658.db2.gz	RDLVSGOVJOSIHV-LBPRGKRZSA-N	-2	3	341.363	3.010	40	0		EGABHL
Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1	ZINC000131018613	223197112	/nfs/dbraw/zinc/19/71/12/223197112.db2.gz	WXKSXIOWWYHSNU-UHFFFAOYSA-N	-2	3	339.800	3.076	40	0		EGABHL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000019815697	212071795	/nfs/dbraw/zinc/07/17/95/212071795.db2.gz	XPDZHCWBTVWAOP-UHFFFAOYSA-N	-2	3	325.773	3.147	40	0		EGABHL
CC(C)c1c([O-])nc(SCCOc2ccc(Cl)cc2)[n-]c1=O	ZINC000013571031	453473045	/nfs/dbraw/zinc/47/30/45/453473045.db2.gz	KWTDLMKQHVTCPN-UHFFFAOYSA-N	-2	3	340.832	3.423	40	0		EGABHL
CC(=O)c1cc(Cc2cc(C(C)=O)c(O)c(C)c2[O-])c([O-])c(C)c1O	ZINC000003843495	210078761	/nfs/dbraw/zinc/07/87/61/210078761.db2.gz	DKSDWTMOXHMVPP-UHFFFAOYSA-N	-2	3	344.363	3.122	40	0		EGABHL
CCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217636398	241264764	/nfs/dbraw/zinc/26/47/64/241264764.db2.gz	GLBXIHCDRHABFU-UHFFFAOYSA-N	-2	3	348.424	3.398	40	0		EGABHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cl)c1C	ZINC000005132834	210397344	/nfs/dbraw/zinc/39/73/44/210397344.db2.gz	QQJRDSFBXHTADN-UHFFFAOYSA-N	-2	3	339.800	3.456	40	0		EGABHL
O=c1c2c([n-]n1-c1ccccc1)nc(-c1ccccc1)c(Cl)c2[O-]	ZINC000008018219	453150845	/nfs/dbraw/zinc/15/08/45/453150845.db2.gz	BWLNGZPZHWEBNF-UHFFFAOYSA-N	-2	3	337.766	3.328	40	0		EGABHL
Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(C)c1	ZINC000013464559	301200315	/nfs/dbraw/zinc/20/03/15/301200315.db2.gz	RUIPFRVTGIJPNR-UHFFFAOYSA-N	-2	3	333.409	3.419	40	0		EGABHL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1	ZINC000006316007	452932777	/nfs/dbraw/zinc/93/27/77/452932777.db2.gz	MUQUVEFNQPQXKV-UHFFFAOYSA-N	-2	3	331.393	3.064	40	0		EGABHL
CCc1nc(SC(=Cc2c(C)n(C)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000007342595	453061875	/nfs/dbraw/zinc/06/18/75/453061875.db2.gz	ZKPVFHWUKDAMIM-ZROIWOOFSA-N	-2	3	342.424	3.385	40	0		EGABHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F	ZINC000007709210	453106692	/nfs/dbraw/zinc/10/66/92/453106692.db2.gz	HXUUUGLIXLCWGV-UHFFFAOYSA-N	-2	3	343.763	3.287	40	0		EGABHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1c(C)[nH]c2ccccc21	ZINC000014134627	453508944	/nfs/dbraw/zinc/50/89/44/453508944.db2.gz	ITVQKCOREFPKSZ-UHFFFAOYSA-N	-2	3	337.383	3.131	40	0		EGABHL
CCCc1cc(=O)[n-]c(SCc2ccc([O-])c3ncccc23)n1	ZINC000005634058	452890388	/nfs/dbraw/zinc/89/03/88/452890388.db2.gz	VLSVEXOZHWLRRL-UHFFFAOYSA-N	-2	3	327.409	3.269	40	0		EGABHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1	ZINC000013340398	453459305	/nfs/dbraw/zinc/45/93/05/453459305.db2.gz	SNFZMQVOMNPOIH-UHFFFAOYSA-N	-2	3	346.191	3.492	40	0		EGABHL
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1	ZINC000008104866	453161411	/nfs/dbraw/zinc/16/14/11/453161411.db2.gz	IOUOEKJVIHNACF-UHFFFAOYSA-N	-2	3	347.436	3.430	40	0		EGABHL
Cc1ccccc1CN[C@H](c1ccc(F)c(F)c1)P(=O)([O-])[O-]	ZINC000012949545	453430706	/nfs/dbraw/zinc/43/07/06/453430706.db2.gz	YKOCNUHEGLTFQE-HNNXBMFYSA-N	-2	3	327.267	3.239	40	0		EGABHL
C[C@@H]1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)c2c([O-])cccc21	ZINC000663049830	461436890	/nfs/dbraw/zinc/43/68/90/461436890.db2.gz	RDLVSGOVJOSIHV-GFCCVEGCSA-N	-2	3	341.363	3.010	40	0		EGABHL
O=P([O-])([O-])[C@@H](NCc1ccc(F)cc1)c1cccc(Cl)c1	ZINC000012949553	453430729	/nfs/dbraw/zinc/43/07/29/453430729.db2.gz	CYLHBIAHHKDLBU-CQSZACIVSA-N	-2	3	329.695	3.445	40	0		EGABHL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1	ZINC000047383474	454366149	/nfs/dbraw/zinc/36/61/49/454366149.db2.gz	NWHRXUBYHSTHCE-UHFFFAOYSA-N	-2	3	341.335	3.081	40	0		EGABHL
Cc1cc(=O)n(-c2nc(-c3ccccc3)cc(-c3ccccc3[O-])n2)[n-]1	ZINC000003140352	452746563	/nfs/dbraw/zinc/74/65/63/452746563.db2.gz	VMXUFJYIQCBGQJ-UHFFFAOYSA-N	-2	3	344.374	3.304	40	0		EGABHL
CCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1	ZINC000013265615	453455813	/nfs/dbraw/zinc/45/58/13/453455813.db2.gz	RIXYRLVBYVESFX-UHFFFAOYSA-N	-2	3	333.409	3.447	40	0		EGABHL
COc1ccc2cc(-c3nc4cc(C(=O)[O-])ccc4[n-]3)c(=O)oc2c1	ZINC000006917832	453008200	/nfs/dbraw/zinc/00/82/00/453008200.db2.gz	QLVVHKVFWNEXHS-UHFFFAOYSA-N	-2	3	336.303	3.043	40	0		EGABHL
Cc1csc(CCN[C@H](c2cccc(Cl)c2)P(=O)([O-])[O-])n1	ZINC000012997546	453436723	/nfs/dbraw/zinc/43/67/23/453436723.db2.gz	YVCISMKWYRAOOA-ZDUSSCGKSA-N	-2	3	346.776	3.114	40	0		EGABHL
CCCc1nc(SC(=Cc2cn(C)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000007342294	453062230	/nfs/dbraw/zinc/06/22/30/453062230.db2.gz	QXCUTKBZINEZPY-ZROIWOOFSA-N	-2	3	342.424	3.467	40	0		EGABHL
Cc1nc(C=Cc2cc3ccccc3s2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503302	455969758	/nfs/dbraw/zinc/96/97/58/455969758.db2.gz	JXPMGRGBSSCNRN-SOFGYWHQSA-N	-2	3	340.404	3.481	40	0		EGABHL
Cc1[nH]nc(-c2ccc(O)cc2[O-])c1Oc1ccc(C(=O)[O-])cc1	ZINC000011865793	211261769	/nfs/dbraw/zinc/26/17/69/211261769.db2.gz	NCZOFBMVXKYXKV-UHFFFAOYSA-N	-2	3	326.308	3.287	40	0		EGABHL
O=C(CCCCC(=O)c1ccc([O-])cc1O)c1ccc([O-])cc1O	ZINC000001723322	452677192	/nfs/dbraw/zinc/67/71/92/452677192.db2.gz	AJQJYIFGXLJVEL-UHFFFAOYSA-N	-2	3	330.336	3.135	40	0		EGABHL
C=CCOc1ccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc1	ZINC000007342428	453061734	/nfs/dbraw/zinc/06/17/34/453061734.db2.gz	DNQJEIXOSIJJOK-RAXLEYEMSA-N	-2	3	331.397	3.150	40	0		EGABHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F	ZINC000007708407	453106044	/nfs/dbraw/zinc/10/60/44/453106044.db2.gz	IBGKIYNHQAWJRT-UHFFFAOYSA-N	-2	3	343.763	3.287	40	0		EGABHL
Cc1csc(CCN[C@@H](c2cccc(Cl)c2)P(=O)([O-])[O-])n1	ZINC000012997545	453437041	/nfs/dbraw/zinc/43/70/41/453437041.db2.gz	YVCISMKWYRAOOA-CYBMUJFWSA-N	-2	3	346.776	3.114	40	0		EGABHL
Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl	ZINC000007402402	210794323	/nfs/dbraw/zinc/79/43/23/210794323.db2.gz	ZRSZCZSFDHOHOS-UHFFFAOYSA-N	-2	3	343.763	3.287	40	0		EGABHL
Cc1[nH]nc(-c2ccc(OCC(=O)[O-])cc2[O-])c1-c1ccc(F)cc1	ZINC000005276874	452854542	/nfs/dbraw/zinc/85/45/42/452854542.db2.gz	MKCKGPAZTJVHQN-UHFFFAOYSA-N	-2	3	342.326	3.360	40	0		EGABHL
CC(C)(C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-]	ZINC000217636829	241265294	/nfs/dbraw/zinc/26/52/94/241265294.db2.gz	ZHCIGJTXIAJHHP-UHFFFAOYSA-N	-2	3	348.424	3.396	40	0		EGABHL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1	ZINC000006316023	452933095	/nfs/dbraw/zinc/93/30/95/452933095.db2.gz	URKXZTRFPFTVPU-UHFFFAOYSA-N	-2	3	331.393	3.064	40	0		EGABHL