smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc(NC(=O)c2sccc2S(=O)(=O)NCc2ccco2)[nH]1	ZINC000479106510	531354374	/nfs/dbraw/zinc/35/43/74/531354374.db2.gz	OQFZPLDNTURHAT-UHFFFAOYSA-N	-2	2	381.439	1.752	20	0		GDADLL
Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)cc1C(=O)[O-]	ZINC000739037562	600237423	/nfs/dbraw/zinc/23/74/23/600237423.db2.gz	UWHLAOCLEFWHFV-UHFFFAOYSA-N	-2	2	390.320	1.824	20	0		GDADLL
COc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(CC(=O)[O-])ccc1OC	ZINC001599377608	998513269	/nfs/dbraw/zinc/51/32/69/998513269.db2.gz	GNYXUSQJMKYYFO-UHFFFAOYSA-N	-2	2	395.389	1.830	20	0		GDADLL
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1OC	ZINC000432208679	601234888	/nfs/dbraw/zinc/23/48/88/601234888.db2.gz	RXEJSDRYRSRKAP-UHFFFAOYSA-N	-2	2	384.366	1.240	20	0		GDADLL
Cc1cc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)ccc1OCCCC(=O)[O-]	ZINC000738477911	599738602	/nfs/dbraw/zinc/73/86/02/599738602.db2.gz	JXXBXUOGMCYXLV-UHFFFAOYSA-N	-2	2	397.409	1.321	20	0		GDADLL
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c1	ZINC000747877080	978687316	/nfs/dbraw/zinc/68/73/16/978687316.db2.gz	MXQXDEMHWZOAED-UHFFFAOYSA-N	-2	2	383.309	1.752	20	0		GDADLL
Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000833741292	605124735	/nfs/dbraw/zinc/12/47/35/605124735.db2.gz	GMGDQGWPTCRSTH-UHFFFAOYSA-N	-3	2	385.375	1.952	20	0		GDADLL
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000548197501	650533945	/nfs/dbraw/zinc/53/39/45/650533945.db2.gz	APEXBHGAWZABQP-UHFFFAOYSA-N	-2	2	385.375	1.732	20	0		GDADLL
Cn1ncc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1C(=O)[O-]	ZINC000774621888	654633640	/nfs/dbraw/zinc/63/36/40/654633640.db2.gz	MYEWWGCHXZQNOH-UHFFFAOYSA-N	-2	2	377.737	1.410	20	0		GDADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1	ZINC001599018448	998958610	/nfs/dbraw/zinc/95/86/10/998958610.db2.gz	JPJSRBMBWFJKDC-UHFFFAOYSA-N	-2	2	399.402	1.661	20	0		GDADLL
Cc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])c(C)c1OCC(=O)[O-]	ZINC000832956699	602201791	/nfs/dbraw/zinc/20/17/91/602201791.db2.gz	UKRCBNRJOJRSRN-UHFFFAOYSA-N	-2	2	386.407	1.722	20	0		GDADLL
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1	ZINC000740143200	600177540	/nfs/dbraw/zinc/17/75/40/600177540.db2.gz	BGPFKYFURKWJIH-UHFFFAOYSA-N	-3	2	383.309	1.721	20	0		GDADLL
O=C([O-])c1n[nH]c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc21	ZINC000833323665	600673592	/nfs/dbraw/zinc/67/35/92/600673592.db2.gz	XUCUMQUZKBPXJO-UHFFFAOYSA-N	-2	2	379.325	1.899	20	0		GDADLL
C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000794917848	655156740	/nfs/dbraw/zinc/15/67/40/655156740.db2.gz	ZIQGICIUABPHMN-KCJUWKMLSA-N	-2	2	383.344	1.180	20	0		GDADLL
COc1cc(OC)c(NS(=O)(=O)c2ccsc2C(=O)[O-])c(C(=O)[O-])c1	ZINC000737898692	599799562	/nfs/dbraw/zinc/79/95/62/599799562.db2.gz	GYTVKMLKOXNWJU-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
C[C@@H](Sc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1)C(=O)[O-]	ZINC001593666957	996054554	/nfs/dbraw/zinc/05/45/54/996054554.db2.gz	GQYCBMSXTYRFFG-SECBINFHSA-N	-2	2	385.423	1.334	20	0		GDADLL
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c[nH]1	ZINC000740155321	600237780	/nfs/dbraw/zinc/23/77/80/600237780.db2.gz	RNKNSNXQSFXAIN-UHFFFAOYSA-N	-2	2	376.293	1.813	20	0		GDADLL
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c(C(=O)[O-])cc1OC	ZINC000433809245	974096547	/nfs/dbraw/zinc/09/65/47/974096547.db2.gz	SVYRDVBRLJFOGB-UHFFFAOYSA-N	-2	2	397.361	1.607	20	0		GDADLL
O=C([O-])Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1	ZINC000739912045	600530511	/nfs/dbraw/zinc/53/05/11/600530511.db2.gz	VLHBOGJFXBNQSG-UHFFFAOYSA-N	-2	2	379.394	1.346	20	0		GDADLL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1c(O)cc(F)cc1F	ZINC001594891113	954527074	/nfs/dbraw/zinc/52/70/74/954527074.db2.gz	TVPWNELZVYSORU-KCJUWKMLSA-N	-2	2	396.268	1.407	20	0		GDADLL
COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-]	ZINC000831434865	979031583	/nfs/dbraw/zinc/03/15/83/979031583.db2.gz	HXRPDEFEYFILDH-UHFFFAOYSA-N	-2	2	397.336	1.810	20	0		GDADLL
COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000054796531	530702937	/nfs/dbraw/zinc/70/29/37/530702937.db2.gz	RDITYYAUJYCOQL-UHFFFAOYSA-N	-2	2	385.375	1.732	20	0		GDADLL
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1NC(=O)[O-]	ZINC000829197767	603501481	/nfs/dbraw/zinc/50/14/81/603501481.db2.gz	JKJNEFBUMLYMPC-UHFFFAOYSA-N	-2	2	382.350	1.990	20	0		GDADLL
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccsc2C(=O)[O-])c1OC	ZINC000831912598	600831649	/nfs/dbraw/zinc/83/16/49/600831649.db2.gz	CDRIAAITRZJVJS-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
O=C([O-])Cn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cn1	ZINC000739912043	600674633	/nfs/dbraw/zinc/67/46/33/600674633.db2.gz	VKUPVATVUORZEV-UHFFFAOYSA-N	-2	2	393.299	1.486	20	0		GDADLL
COc1ccc(O)c(S(=O)(=O)Nc2ccccc2N(C)S(C)(=O)=O)c1	ZINC000538298064	650308103	/nfs/dbraw/zinc/30/81/03/650308103.db2.gz	IPNQCMGXTJBZCY-UHFFFAOYSA-N	-2	2	386.451	1.597	20	0		GDADLL
O=C([O-])c1nscc1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])OCCO2	ZINC000833306533	601832946	/nfs/dbraw/zinc/83/29/46/601832946.db2.gz	ASHRJYYBYVOGBJ-UHFFFAOYSA-N	-2	2	386.363	1.112	20	0		GDADLL
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)c(OC)c1C(=O)[O-]	ZINC000833734809	604861912	/nfs/dbraw/zinc/86/19/12/604861912.db2.gz	XYNDILRVRSHNQI-UHFFFAOYSA-N	-2	2	397.361	1.607	20	0		GDADLL
O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(F)ccc1Br	ZINC000547549466	650500752	/nfs/dbraw/zinc/50/07/52/650500752.db2.gz	YDJBDISBQPIEPL-SNVBAGLBSA-N	-2	2	392.206	1.286	20	0		GDADLL
Cn1ncc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1C(=O)[O-]	ZINC000769883488	654489395	/nfs/dbraw/zinc/48/93/95/654489395.db2.gz	ZVWPUXXHGCLCAU-UHFFFAOYSA-N	-2	2	394.192	1.924	20	0		GDADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000737718561	599814903	/nfs/dbraw/zinc/81/49/03/599814903.db2.gz	URMUFAWVKSVDRV-UHFFFAOYSA-N	-2	2	385.375	1.732	20	0		GDADLL
Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C(F)F	ZINC000677551125	654670602	/nfs/dbraw/zinc/67/06/02/654670602.db2.gz	UYCCIJBXMGQDCD-UHFFFAOYSA-N	-2	2	375.309	1.555	20	0		GDADLL
Cc1cc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000832864848	600883071	/nfs/dbraw/zinc/88/30/71/600883071.db2.gz	CYFKAUNQAZNIKX-UHFFFAOYSA-N	-2	2	380.320	1.571	20	0		GDADLL
O=c1[nH]nc([C@H]2CCCN(c3cc(-c4nn[nH]n4)c(Br)cn3)C2)[nH]1	ZINC001571309151	946440154	/nfs/dbraw/zinc/44/01/54/946440154.db2.gz	XBRSHYIBTHBNQC-ZETCQYMHSA-N	-2	2	392.221	1.232	20	0		GDADLL
O=C([O-])Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1	ZINC000739911600	600531379	/nfs/dbraw/zinc/53/13/79/600531379.db2.gz	DWMKPHOHRSSVAZ-UHFFFAOYSA-N	-2	2	377.737	1.259	20	0		GDADLL
O=C([O-])c1n[nH]c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc21	ZINC000833317937	600810558	/nfs/dbraw/zinc/81/05/58/600810558.db2.gz	AOZDJWNCKOZERD-UHFFFAOYSA-N	-2	2	379.325	1.899	20	0		GDADLL
COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1C(=O)[O-]	ZINC000831328050	601250994	/nfs/dbraw/zinc/25/09/94/601250994.db2.gz	QFTNMPDKKNEQTC-UHFFFAOYSA-N	-2	2	395.345	1.376	20	0		GDADLL
COc1ccc(O)c(S(=O)(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c1	ZINC000538298237	650308045	/nfs/dbraw/zinc/30/80/45/650308045.db2.gz	KGGVXBVJJRUNFB-UHFFFAOYSA-N	-2	2	385.463	1.789	20	0		GDADLL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O	ZINC000737688637	599826195	/nfs/dbraw/zinc/82/61/95/599826195.db2.gz	NPXWXUVAJKKPQC-UHFFFAOYSA-N	-2	2	395.345	1.376	20	0		GDADLL
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000739819899	599876014	/nfs/dbraw/zinc/87/60/14/599876014.db2.gz	KBABKFFBUGTNLL-UHFFFAOYSA-N	-2	2	396.352	1.139	20	0		GDADLL
COc1cc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc(C(=O)[O-])c1OC	ZINC000832097765	601603901	/nfs/dbraw/zinc/60/39/01/601603901.db2.gz	LEHNOPZOGJLGBU-UHFFFAOYSA-N	-2	2	388.379	1.358	20	0		GDADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1	ZINC000737717873	601117484	/nfs/dbraw/zinc/11/74/84/601117484.db2.gz	OXTNGYJAGSRLJR-UHFFFAOYSA-N	-2	2	399.402	1.661	20	0		GDADLL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)ccc(C(=O)[O-])c1O	ZINC001599503028	997160851	/nfs/dbraw/zinc/16/08/51/997160851.db2.gz	QKNBEEIBDOZVKP-UHFFFAOYSA-N	-2	2	381.362	1.906	20	0		GDADLL
O=C([O-])c1csc(NS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000833343829	602116610	/nfs/dbraw/zinc/11/66/10/602116610.db2.gz	RHAIBFBENRXTOB-UHFFFAOYSA-N	-2	2	385.375	1.717	20	0		GDADLL
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000794917850	655156690	/nfs/dbraw/zinc/15/66/90/655156690.db2.gz	ZIQGICIUABPHMN-KWQFWETISA-N	-2	2	383.344	1.180	20	0		GDADLL
Cc1cc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)[n-]c2nc(=O)[nH]c(=O)c1-2	ZINC000832864942	600917167	/nfs/dbraw/zinc/91/71/67/600917167.db2.gz	HUYGDMUHPHHDMS-UHFFFAOYSA-N	-2	2	384.348	1.850	20	0		GDADLL
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000268007163	601488144	/nfs/dbraw/zinc/48/81/44/601488144.db2.gz	PUEFYMUFXRCOLP-UHFFFAOYSA-N	-2	2	382.394	1.550	20	0		GDADLL
O=C([O-])CCC(=O)c1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1	ZINC000833223870	602308852	/nfs/dbraw/zinc/30/88/52/602308852.db2.gz	XGIBAGLCKLKCDR-UHFFFAOYSA-N	-2	2	384.391	1.690	20	0		GDADLL
COc1ccc(O)c(S(=O)(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1	ZINC000538296742	650308141	/nfs/dbraw/zinc/30/81/41/650308141.db2.gz	OTIRQOAJFTTWJM-UHFFFAOYSA-N	-2	2	386.451	1.251	20	0		GDADLL
COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c(Cl)cc1C(=O)[O-]	ZINC001599459927	998253965	/nfs/dbraw/zinc/25/39/65/998253965.db2.gz	OFYLXOUNBDZIBP-UHFFFAOYSA-N	-2	2	386.769	1.941	20	0		GDADLL
COc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c(Cl)cc1C(=O)[O-]	ZINC000538089865	531465208	/nfs/dbraw/zinc/46/52/08/531465208.db2.gz	KSZHPTOEHFNURZ-UHFFFAOYSA-N	-2	2	389.773	1.279	20	0		GDADLL
COc1cc(C(=O)Nc2n[nH]c(SC)n2)cc(NS(C)(=O)=O)c1OC	ZINC000266310216	531338532	/nfs/dbraw/zinc/33/85/32/531338532.db2.gz	TWLGUTXIUWBQFE-UHFFFAOYSA-N	-2	2	387.443	1.168	20	0		GDADLL
COc1cc(C(=O)Nc2nc(SC)n[nH]2)cc(NS(C)(=O)=O)c1OC	ZINC000266310216	531338536	/nfs/dbraw/zinc/33/85/36/531338536.db2.gz	TWLGUTXIUWBQFE-UHFFFAOYSA-N	-2	2	387.443	1.168	20	0		GDADLL
COc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])c(C(=O)[O-])cc1OC	ZINC000832030682	601832542	/nfs/dbraw/zinc/83/25/42/601832542.db2.gz	YKKUWJUUOYXAPM-UHFFFAOYSA-N	-2	2	388.379	1.358	20	0		GDADLL
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000749868044	601387693	/nfs/dbraw/zinc/38/76/93/601387693.db2.gz	QGMVGHMAUMHAFX-UHFFFAOYSA-N	-2	2	397.336	1.794	20	0		GDADLL
COc1cc(OC)c(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c(C(=O)[O-])c1	ZINC000833728963	604688384	/nfs/dbraw/zinc/68/83/84/604688384.db2.gz	MEFSETXGSAEJIH-UHFFFAOYSA-N	-2	2	382.350	1.296	20	0		GDADLL
O=C([O-])NCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000834246276	605306540	/nfs/dbraw/zinc/30/65/40/605306540.db2.gz	YTPIZEWBVJKPFH-UHFFFAOYSA-N	-2	2	386.407	1.894	20	0		GDADLL
CC(C)Cn1ncc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1C(F)F	ZINC000270252854	531849696	/nfs/dbraw/zinc/84/96/96/531849696.db2.gz	GMBLTNSGCFXGLC-UHFFFAOYSA-N	-2	2	394.429	1.952	20	0		GDADLL
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1NC(=O)[O-]	ZINC000829484928	603501567	/nfs/dbraw/zinc/50/15/67/603501567.db2.gz	YEDDIKIXVNPDLG-UHFFFAOYSA-N	-2	2	382.350	1.990	20	0		GDADLL
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1	ZINC000790005031	978798769	/nfs/dbraw/zinc/79/87/69/978798769.db2.gz	JCZRMJJEZIDQSS-UHFFFAOYSA-N	-2	2	379.329	1.006	20	0		GDADLL
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])cc1OC	ZINC000013300056	530558143	/nfs/dbraw/zinc/55/81/43/530558143.db2.gz	ZEQFWGAIHRNJID-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
CS(=O)(=O)Nc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F	ZINC000324895679	532074790	/nfs/dbraw/zinc/07/47/90/532074790.db2.gz	OXRCKIYHPNMCFW-UHFFFAOYSA-N	-3	2	394.427	1.758	20	0		GDADLL
O=C([O-])CCC(=O)c1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1	ZINC000833223367	602201981	/nfs/dbraw/zinc/20/19/81/602201981.db2.gz	MEUKLJZZFNRCGB-UHFFFAOYSA-N	-2	2	384.391	1.690	20	0		GDADLL
Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1C(=O)[O-]	ZINC000536993487	974380855	/nfs/dbraw/zinc/38/08/55/974380855.db2.gz	WFRDJHYTMRDYDP-UHFFFAOYSA-N	-2	2	393.299	1.636	20	0		GDADLL
CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000438753301	600816699	/nfs/dbraw/zinc/81/66/99/600816699.db2.gz	HLGHHLRAVOIBEN-UHFFFAOYSA-N	-2	2	386.357	1.760	20	0		GDADLL
O=C([O-])COc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1F	ZINC000833258995	602202101	/nfs/dbraw/zinc/20/21/01/602202101.db2.gz	GKRIGFZTTCJXRV-UHFFFAOYSA-N	-2	2	376.343	1.245	20	0		GDADLL
O=c1[nH]nc([C@@H]2CCCN(c3cc(-c4nn[nH]n4)c(Br)cn3)C2)[nH]1	ZINC001571309149	946440046	/nfs/dbraw/zinc/44/00/46/946440046.db2.gz	XBRSHYIBTHBNQC-SSDOTTSWSA-N	-2	2	392.221	1.232	20	0		GDADLL
O=C([O-])c1csc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000425968777	532159206	/nfs/dbraw/zinc/15/92/06/532159206.db2.gz	UBSUHUAYBRILQY-UHFFFAOYSA-N	-2	2	385.375	1.717	20	0		GDADLL
Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C(=O)[O-]	ZINC000774622690	654633574	/nfs/dbraw/zinc/63/35/74/654633574.db2.gz	SLTRFVDMISZJNQ-UHFFFAOYSA-N	-2	2	377.737	1.410	20	0		GDADLL
O=C([O-])c1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1C(=O)[O-]	ZINC000547965180	531501510	/nfs/dbraw/zinc/50/15/10/531501510.db2.gz	SACFOORNHKVVOK-UHFFFAOYSA-N	-2	2	375.309	1.345	20	0		GDADLL
CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)c1ccnn1CC	ZINC000275620248	532302448	/nfs/dbraw/zinc/30/24/48/532302448.db2.gz	UUNLXMNJAPZKNG-UHFFFAOYSA-N	-2	2	376.435	1.141	20	0		GDADLL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1c(O)cc(F)cc1F	ZINC001594891108	954526198	/nfs/dbraw/zinc/52/61/98/954526198.db2.gz	TVPWNELZVYSORU-GZMMTYOYSA-N	-2	2	396.268	1.407	20	0		GDADLL
O=C([O-])Cn1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cn1	ZINC000739911780	600674730	/nfs/dbraw/zinc/67/47/30/600674730.db2.gz	KWYUEBNWAXVDOB-UHFFFAOYSA-N	-2	2	375.362	1.620	20	0		GDADLL
O=C([O-])c1csc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c1	ZINC000673896926	531885628	/nfs/dbraw/zinc/88/56/28/531885628.db2.gz	QNXCNZYCYFEKKK-UHFFFAOYSA-N	-2	2	385.375	1.717	20	0		GDADLL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O	ZINC000436822642	600177224	/nfs/dbraw/zinc/17/72/24/600177224.db2.gz	QAGYFGZMTLVHNW-UHFFFAOYSA-N	-2	2	381.362	1.527	20	0		GDADLL
CCc1ccc(NS(=O)(=O)c2cc(OC)ccc2O)cc1S(N)(=O)=O	ZINC000538296220	650308211	/nfs/dbraw/zinc/30/82/11/650308211.db2.gz	IQVDYRZPXRGCKC-UHFFFAOYSA-N	-2	2	386.451	1.411	20	0		GDADLL
C[C@H](Sc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1)C(=O)[O-]	ZINC001593666958	996054454	/nfs/dbraw/zinc/05/44/54/996054454.db2.gz	GQYCBMSXTYRFFG-VIFPVBQESA-N	-2	2	385.423	1.334	20	0		GDADLL
COC(=O)c1sc2[nH]c(C[N@H+]3C4CCC3(C(=O)[O-])CC4)nc(=O)c2c1C	ZINC001599022768	998994075	/nfs/dbraw/zinc/99/40/75/998994075.db2.gz	UAKASXGNZAUEIG-UHFFFAOYSA-N	-2	2	377.422	1.661	20	0		GDADLL
CC(C)c1nc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)no1	ZINC000538696360	650318549	/nfs/dbraw/zinc/31/85/49/650318549.db2.gz	SYBVCNAMHNTDCM-UHFFFAOYSA-N	-2	2	378.407	1.504	20	0		GDADLL
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000832186658	601485158	/nfs/dbraw/zinc/48/51/58/601485158.db2.gz	YYUXXFNOMSSAPB-UHFFFAOYSA-N	-2	2	386.769	1.941	20	0		GDADLL
O=C([O-])c1nscc1NS(=O)(=O)c1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000833306064	601603210	/nfs/dbraw/zinc/60/32/10/601603210.db2.gz	ATEMRMAFEJGHBT-UHFFFAOYSA-N	-2	2	386.363	1.112	20	0		GDADLL
O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1	ZINC000833275444	604400030	/nfs/dbraw/zinc/40/00/30/604400030.db2.gz	YRJRLUOHIGHDBZ-UHFFFAOYSA-N	-2	2	393.299	1.486	20	0		GDADLL
Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[n-]1	ZINC000738476119	600682691	/nfs/dbraw/zinc/68/26/91/600682691.db2.gz	KSRJAQBSCNSKNI-UHFFFAOYSA-N	-2	2	384.348	1.769	20	0		GDADLL
O=C([O-])Cn1cc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1	ZINC000739911869	600531189	/nfs/dbraw/zinc/53/11/89/600531189.db2.gz	OYJQUPNFBQXOCL-UHFFFAOYSA-N	-2	2	394.192	1.774	20	0		GDADLL
COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1C(=O)[O-]	ZINC000831373146	601187758	/nfs/dbraw/zinc/18/77/58/601187758.db2.gz	CJYZXANVZPHVSO-UHFFFAOYSA-N	-2	2	397.336	1.810	20	0		GDADLL
O=C([O-])c1ccc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)s1	ZINC000833323396	601388187	/nfs/dbraw/zinc/38/81/87/601388187.db2.gz	KUXPNARUYQQZJZ-UHFFFAOYSA-N	-2	2	385.375	1.717	20	0		GDADLL
Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1cccc2c1OCCC2=O	ZINC000826255811	609530330	/nfs/dbraw/zinc/53/03/30/609530330.db2.gz	LLRSCBZKNHQSJH-UHFFFAOYSA-N	-2	2	385.405	1.941	20	0		GDADLL
COc1cc(Cl)c(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1C(=O)[O-]	ZINC000790404589	655047764	/nfs/dbraw/zinc/04/77/64/655047764.db2.gz	MUIAUEDSAKLQMW-UHFFFAOYSA-N	-2	2	389.773	1.279	20	0		GDADLL
COC(=O)c1nscc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000481619336	531388872	/nfs/dbraw/zinc/38/88/72/531388872.db2.gz	JJBDJMPYBUSTPW-UHFFFAOYSA-N	-2	2	386.363	1.127	20	0		GDADLL
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1	ZINC000833732114	604690661	/nfs/dbraw/zinc/69/06/61/604690661.db2.gz	TVWPGTVAXOUCGE-UHFFFAOYSA-N	-2	2	380.378	1.606	20	0		GDADLL
CCn1nc(C)cc1NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1	ZINC000530157489	649966751	/nfs/dbraw/zinc/96/67/51/649966751.db2.gz	KNGGFOKIBGFRLQ-UHFFFAOYSA-N	-2	2	376.435	1.523	20	0		GDADLL
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)c1	ZINC000484660774	531422556	/nfs/dbraw/zinc/42/25/56/531422556.db2.gz	ZTCYGPAGIRMLGD-UHFFFAOYSA-N	-2	2	375.309	1.345	20	0		GDADLL
COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(C(=O)[O-])cc1OC	ZINC001599445417	998000256	/nfs/dbraw/zinc/00/02/56/998000256.db2.gz	KDFNWWSGKPRKCR-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
COC(=O)c1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)cc(C(=O)[O-])c1	ZINC000737667099	600677508	/nfs/dbraw/zinc/67/75/08/600677508.db2.gz	YLXYNDNWJPBFPJ-UHFFFAOYSA-N	-2	2	398.331	1.482	20	0		GDADLL
O=C([O-])Cn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1	ZINC000833275024	601575214	/nfs/dbraw/zinc/57/52/14/601575214.db2.gz	QMWWHCIOAISIIF-UHFFFAOYSA-N	-2	2	394.192	1.774	20	0		GDADLL
COc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc(C(=O)[O-])c1OC	ZINC000832098094	602117884	/nfs/dbraw/zinc/11/78/84/602117884.db2.gz	SSPBKWVQILOFHY-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000794917852	655156756	/nfs/dbraw/zinc/15/67/56/655156756.db2.gz	ZIQGICIUABPHMN-LDYMZIIASA-N	-2	2	383.344	1.180	20	0		GDADLL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1NS(C)(=O)=O	ZINC000467745884	532062107	/nfs/dbraw/zinc/06/21/07/532062107.db2.gz	GVGKTHXDRXGWGR-UHFFFAOYSA-N	-3	2	388.423	1.767	20	0		GDADLL
COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1C(=O)[O-]	ZINC000831328476	979029760	/nfs/dbraw/zinc/02/97/60/979029760.db2.gz	VFTJYMKJIPIMSF-UHFFFAOYSA-N	-2	2	397.336	1.810	20	0		GDADLL
O=C([O-])c1n[nH]c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc21	ZINC000833321721	601127626	/nfs/dbraw/zinc/12/76/26/601127626.db2.gz	KQDRWGSKOSXGQF-UHFFFAOYSA-N	-2	2	377.334	1.466	20	0		GDADLL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1c(O)cc(F)cc1F	ZINC001594891117	954526676	/nfs/dbraw/zinc/52/66/76/954526676.db2.gz	TVPWNELZVYSORU-LDYMZIIASA-N	-2	2	396.268	1.407	20	0		GDADLL
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1OC	ZINC000432198106	532280260	/nfs/dbraw/zinc/28/02/60/532280260.db2.gz	JNUQEZLPXPEFMX-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
O=C([O-])COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1F	ZINC000833259151	602116269	/nfs/dbraw/zinc/11/62/69/602116269.db2.gz	KKVBZAXLGJPMAJ-UHFFFAOYSA-N	-2	2	375.355	1.850	20	0		GDADLL
COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1C(=O)[O-]	ZINC000831434872	601250980	/nfs/dbraw/zinc/25/09/80/601250980.db2.gz	IGDKPIDOALPTDU-UHFFFAOYSA-N	-2	2	395.345	1.376	20	0		GDADLL
Cn1ncc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c1C(=O)[O-]	ZINC000540295534	650355197	/nfs/dbraw/zinc/35/51/97/650355197.db2.gz	FPPJZZLENRHWTO-UHFFFAOYSA-N	-2	2	389.773	1.036	20	0		GDADLL
CN(C)[C@H](CNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1)c1ccco1	ZINC001598173648	990713440	/nfs/dbraw/zinc/71/34/40/990713440.db2.gz	HFGRZMDMWYSGIC-MRXNPFEDSA-N	-2	2	398.419	1.418	20	0		GDADLL
COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1C(=O)[O-]	ZINC000831434889	600868496	/nfs/dbraw/zinc/86/84/96/600868496.db2.gz	IUJAKMMISGMQMB-UHFFFAOYSA-N	-2	2	383.334	1.572	20	0		GDADLL
COc1cc(OC)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)[O-])c1	ZINC000589939739	600680122	/nfs/dbraw/zinc/68/01/22/600680122.db2.gz	ZVIORIPQUDNZIL-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001599552955	998041273	/nfs/dbraw/zinc/04/12/73/998041273.db2.gz	RDYUYYSLINSCAR-UHFFFAOYSA-N	-2	2	394.405	1.915	20	0		GDADLL
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1	ZINC001599356427	998186956	/nfs/dbraw/zinc/18/69/56/998186956.db2.gz	LOOZJRHAQCSZTQ-UHFFFAOYSA-N	-2	2	384.341	1.735	20	0		GDADLL
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000013300857	530558428	/nfs/dbraw/zinc/55/84/28/530558428.db2.gz	QDUCXYZZAGVCQK-UHFFFAOYSA-N	-2	2	384.391	1.062	20	0		GDADLL
COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000737717122	599814438	/nfs/dbraw/zinc/81/44/38/599814438.db2.gz	ICUNYHNAOCZWNK-UHFFFAOYSA-N	-2	2	385.375	1.732	20	0		GDADLL
O=C([O-])CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1	ZINC000507563849	601249773	/nfs/dbraw/zinc/24/97/73/601249773.db2.gz	IRAVDESJNHDEKZ-UHFFFAOYSA-N	-2	2	381.362	1.745	20	0		GDADLL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1c(O)cc(F)cc1F	ZINC001594891115	954525811	/nfs/dbraw/zinc/52/58/11/954525811.db2.gz	TVPWNELZVYSORU-KWQFWETISA-N	-2	2	396.268	1.407	20	0		GDADLL
CN(C)[C@@H](CNC(=O)c1ccc(-n2[nH]c(CC(=O)[O-])cc2=O)cc1)c1ccco1	ZINC001598173647	990713610	/nfs/dbraw/zinc/71/36/10/990713610.db2.gz	HFGRZMDMWYSGIC-INIZCTEOSA-N	-2	2	398.419	1.418	20	0		GDADLL
COC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000532110826	531418360	/nfs/dbraw/zinc/41/83/60/531418360.db2.gz	AUSFALSZMJBIQK-UHFFFAOYSA-N	-2	2	385.375	1.732	20	0		GDADLL
COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000505124128	600813764	/nfs/dbraw/zinc/81/37/64/600813764.db2.gz	LBWGUCYKERFAQW-UHFFFAOYSA-N	-2	2	388.785	1.884	20	0		GDADLL
CC(C)(CO)ONC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1	ZINC000297175813	531766117	/nfs/dbraw/zinc/76/61/17/531766117.db2.gz	KQRLEMMBJOYINU-UHFFFAOYSA-N	-2	2	384.479	1.910	20	0		GDADLL
O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1	ZINC000604857570	652746520	/nfs/dbraw/zinc/74/65/20/652746520.db2.gz	KRWPNQZVEDABNJ-UHFFFAOYSA-N	-2	2	375.309	1.345	20	0		GDADLL
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1	ZINC000068076781	530783113	/nfs/dbraw/zinc/78/31/13/530783113.db2.gz	URQNOXKRJFFOKF-UHFFFAOYSA-N	-2	2	387.391	1.963	20	0		GDADLL
Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000541793436	650391052	/nfs/dbraw/zinc/39/10/52/650391052.db2.gz	ADLSGPLKPHSIDA-UHFFFAOYSA-N	-2	2	375.309	1.853	20	0		GDADLL
O=C([O-])c1nscc1S(=O)(=O)Nc1cc2c(c(C(=O)[O-])c1)OCCO2	ZINC000833300880	601486802	/nfs/dbraw/zinc/48/68/02/601486802.db2.gz	PEVUKCNYAKOKQU-UHFFFAOYSA-N	-2	2	386.363	1.112	20	0		GDADLL
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1	ZINC000438790383	600672335	/nfs/dbraw/zinc/67/23/35/600672335.db2.gz	YTBQKNHWVAALFM-UHFFFAOYSA-N	-2	2	396.352	1.139	20	0		GDADLL
O=C([O-])Cn1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1	ZINC000833274402	604633977	/nfs/dbraw/zinc/63/39/77/604633977.db2.gz	FGLLSJGDQJAVAG-UHFFFAOYSA-N	-2	2	377.737	1.259	20	0		GDADLL
C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-]	ZINC000794917847	655156729	/nfs/dbraw/zinc/15/67/29/655156729.db2.gz	ZIQGICIUABPHMN-GZMMTYOYSA-N	-2	2	383.344	1.180	20	0		GDADLL
CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1	ZINC001589199275	985628853	/nfs/dbraw/zinc/62/88/53/985628853.db2.gz	AUQQTJUXNRLCFQ-UHFFFAOYSA-N	-2	2	396.352	1.981	20	0		GDADLL
Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1C(=O)[O-]	ZINC000582280897	531546875	/nfs/dbraw/zinc/54/68/75/531546875.db2.gz	ZWABZOABXDNTAF-UHFFFAOYSA-N	-2	2	387.439	1.976	20	0		GDADLL
COC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C(=O)[O-]	ZINC000831435063	600689469	/nfs/dbraw/zinc/68/94/69/600689469.db2.gz	MXXVAPWJDSYCOJ-UHFFFAOYSA-N	-2	2	397.336	1.810	20	0		GDADLL
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(C(=O)[O-])c1	ZINC001589199320	985630449	/nfs/dbraw/zinc/63/04/49/985630449.db2.gz	DQAUWRNBYHEKPM-UHFFFAOYSA-N	-2	2	384.391	1.904	20	0		GDADLL
CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)CC1(C(=O)[O-])CCC1	ZINC001597106364	986747218	/nfs/dbraw/zinc/74/72/18/986747218.db2.gz	PYESSVZDTWOXRM-UHFFFAOYSA-N	-2	2	375.374	1.919	20	0		GDADLL
Cc1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)sc1C(=O)[O-]	ZINC000614769306	531605366	/nfs/dbraw/zinc/60/53/66/531605366.db2.gz	KDSUWQBFCZICJK-UHFFFAOYSA-N	-2	2	385.375	1.982	20	0		GDADLL
CNS(=O)(=O)c1cc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)ccc1F	ZINC000288245845	532275627	/nfs/dbraw/zinc/27/56/27/532275627.db2.gz	JFAKGRFBPOEFKZ-UHFFFAOYSA-N	-2	2	385.339	1.129	20	0		GDADLL
COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000462100841	601333596	/nfs/dbraw/zinc/33/35/96/601333596.db2.gz	JCXGPRZPCOISLV-UHFFFAOYSA-N	-2	2	381.362	1.901	20	0		GDADLL
O=C([O-])COc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1Cl	ZINC000833258977	602201849	/nfs/dbraw/zinc/20/18/49/602201849.db2.gz	FHYQGGPHKFBSTC-UHFFFAOYSA-N	-2	2	392.798	1.759	20	0		GDADLL