smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)cc1	ZINC000006471271	204180142	/nfs/dbraw/zinc/18/01/42/204180142.db2.gz	MUEAZTNLRXDROO-UHFFFAOYSA-N	-2	1	392.433	2.091	50	0		GEAAML
COCCOc1cc([N-]S(=O)(=O)c2cccc(F)c2)c(C(=O)[O-])cc1OC	ZINC000010511847	204335748	/nfs/dbraw/zinc/33/57/48/204335748.db2.gz	MIYXRZGKDYGAHH-UHFFFAOYSA-N	-2	1	399.396	2.359	50	0		GEAAML
O=C([O-])CCn1cc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](C(=O)[O-])C2)c2ccc(F)cc21	ZINC000227027129	570375669	/nfs/dbraw/zinc/37/56/69/570375669.db2.gz	DJTDGCPNMJRONS-PIGZYNQJSA-N	-2	1	392.383	2.177	50	0		GEAAML
Cc1c2c(cc(=O)n1[N-]C(=O)c1cccs1)[n-]n(-c1ccc(F)cc1)c2=O	ZINC000030822957	570497092	/nfs/dbraw/zinc/49/70/92/570497092.db2.gz	ZNZZDCBZLRRGTE-UHFFFAOYSA-N	-2	1	384.392	2.373	50	0		GEAAML
Cc1cc(C(=O)NCC2(c3ccccc3Cl)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000179527897	570545104	/nfs/dbraw/zinc/54/51/04/570545104.db2.gz	GJBPZSKVJBNIQX-UHFFFAOYSA-N	-2	1	384.823	2.447	50	0		GEAAML
COCCOc1cc([N-]S(=O)(=O)c2ccccc2)c(C(=O)[O-])cc1OC	ZINC000010511814	204336326	/nfs/dbraw/zinc/33/63/26/204336326.db2.gz	PTXOWNKCZVEQBA-UHFFFAOYSA-N	-2	1	381.406	2.219	50	0		GEAAML
O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)n1	ZINC000426414284	534509200	/nfs/dbraw/zinc/50/92/00/534509200.db2.gz	HGGJEBOECRBRID-ZDUSSCGKSA-N	-2	1	377.828	2.275	50	0		GEAAML
O=C([O-])C[C@H](NC(=O)c1cnc(-c2ccncc2)[n-]c1=O)c1ccccc1F	ZINC000096141570	570213263	/nfs/dbraw/zinc/21/32/63/570213263.db2.gz	QIBADDBZRSJLMW-HNNXBMFYSA-N	-2	1	382.351	2.329	50	0		GEAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)cc1	ZINC000013090265	570745683	/nfs/dbraw/zinc/74/56/83/570745683.db2.gz	YCFDJZBOWANSTN-UHFFFAOYSA-N	-2	1	377.374	2.159	50	0		GEAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)ccc1F	ZINC000096837092	570791409	/nfs/dbraw/zinc/79/14/09/570791409.db2.gz	ORVBNMPWBLHMNY-UHFFFAOYSA-N	-2	1	378.381	2.217	50	0		GEAAML
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])c3)ccc21	ZINC000371762250	601986648	/nfs/dbraw/zinc/98/66/48/601986648.db2.gz	GGHGIYXJCLNFOZ-UHFFFAOYSA-N	-2	1	388.445	2.414	50	0		GEAAML
COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1[N-]S(C)(=O)=O	ZINC000032772017	204918395	/nfs/dbraw/zinc/91/83/95/204918395.db2.gz	KNNJNDBHYMNDDT-UHFFFAOYSA-N	-2	1	384.454	2.430	50	0		GEAAML
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221662	206121652	/nfs/dbraw/zinc/12/16/52/206121652.db2.gz	UIBGBZULYDKMFJ-LLVKDONJSA-N	-2	1	395.795	2.001	50	0		GEAAML
O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)Cc3ccc([O-])c(Cl)c3)C2)n1	ZINC000426414282	534509248	/nfs/dbraw/zinc/50/92/48/534509248.db2.gz	HGGJEBOECRBRID-CYBMUJFWSA-N	-2	1	377.828	2.275	50	0		GEAAML
Cc1cc(=O)[n-]c(-n2cc(C(=O)c3cc(Br)ccc3[O-])cn2)n1	ZINC000005827074	204153017	/nfs/dbraw/zinc/15/30/17/204153017.db2.gz	YZLQWDNCIIBPEP-UHFFFAOYSA-N	-2	1	375.182	2.375	50	0		GEAAML
Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000032081697	204909114	/nfs/dbraw/zinc/90/91/14/204909114.db2.gz	KLTDCXFLNZZRIM-GFCCVEGCSA-N	-2	1	392.408	2.372	50	0		GEAAML
CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000003191788	570332169	/nfs/dbraw/zinc/33/21/69/570332169.db2.gz	VRIDRQSDTJPSGO-UHFFFAOYSA-N	-2	1	389.838	2.243	50	0		GEAAML
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)cc1	ZINC000013460419	570755180	/nfs/dbraw/zinc/75/51/80/570755180.db2.gz	ZLCMQNDTJUCPML-UHFFFAOYSA-N	-2	1	388.445	2.397	50	0		GEAAML
Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000032915902	570926879	/nfs/dbraw/zinc/92/68/79/570926879.db2.gz	ZQRMXXHXKNFHKI-UHFFFAOYSA-N	-2	1	387.421	2.087	50	0		GEAAML
COc1cc(/C=C2\NC(=S)[N-]C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000002307201	570281908	/nfs/dbraw/zinc/28/19/08/570281908.db2.gz	NFLKBISKTFCXGX-ZSOIEALJSA-N	-2	1	384.413	2.318	50	0		GEAAML
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1	ZINC000002770709	570300159	/nfs/dbraw/zinc/30/01/59/570300159.db2.gz	USVGYIJIWVWJHV-UHFFFAOYSA-N	-2	1	390.446	2.078	50	0		GEAAML
O=C([O-])CCn1cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@@H](C(=O)[O-])C2)c2ccc(F)cc21	ZINC000227027123	570375652	/nfs/dbraw/zinc/37/56/52/570375652.db2.gz	DJTDGCPNMJRONS-DIFFPNOSSA-N	-2	1	392.383	2.177	50	0		GEAAML
O=C([O-])c1nccnc1C(=O)Nc1ccc(NC(=O)c2ccccc2[O-])cc1	ZINC000004324662	204037329	/nfs/dbraw/zinc/03/73/29/204037329.db2.gz	SQAKEGSNIZBCIQ-UHFFFAOYSA-N	-2	1	378.344	2.385	50	0		GEAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c1)CCC2	ZINC000055546041	205148769	/nfs/dbraw/zinc/14/87/69/205148769.db2.gz	ITMRHVRVNWPYJB-UHFFFAOYSA-N	-2	1	375.402	2.446	50	0		GEAAML
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000012536084	570835750	/nfs/dbraw/zinc/83/57/50/570835750.db2.gz	HQTRILWBYJOWSU-UHFFFAOYSA-N	-2	1	380.397	2.139	50	0		GEAAML
C[C@@H]1Oc2ccc(S(=O)(=O)[N-]c3ccc(CCC(=O)[O-])cc3)cc2NC1=O	ZINC000015108381	570881631	/nfs/dbraw/zinc/88/16/31/570881631.db2.gz	DXWAOBZLNDDYFW-NSHDSACASA-N	-2	1	390.417	2.224	50	0		GEAAML
COC(=O)COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1	ZINC000024958035	207298336	/nfs/dbraw/zinc/29/83/36/207298336.db2.gz	NNLYBFVPAIJJHN-UHFFFAOYSA-N	-2	1	393.417	2.354	50	0		GEAAML
COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc(OC)c1OC	ZINC000007053884	570774513	/nfs/dbraw/zinc/77/45/13/570774513.db2.gz	PUIIYUUOTIXHRN-UHFFFAOYSA-N	-2	1	385.369	2.351	50	0		GEAAML
Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000012508595	570824261	/nfs/dbraw/zinc/82/42/61/570824261.db2.gz	RWZKKEULNXMIMQ-UHFFFAOYSA-N	-2	1	390.446	2.465	50	0		GEAAML
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1c([O-])ccc3ccccc31)CC2	ZINC000082120925	208078894	/nfs/dbraw/zinc/07/88/94/208078894.db2.gz	ZUHGUJQTJLZXAI-QGZVFWFLSA-N	-2	1	396.443	2.473	50	0		GEAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(N2CCOCC2)c1	ZINC000058366638	136155332	/nfs/dbraw/zinc/15/53/32/136155332.db2.gz	ZFQBOWBTRKRCTJ-UHFFFAOYSA-N	-2	1	394.424	2.470	50	0		GEAAML
CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-]	ZINC000035397632	570348852	/nfs/dbraw/zinc/34/88/52/570348852.db2.gz	BLKHYQVVXMHRTE-UHFFFAOYSA-N	-2	1	379.438	2.435	50	0		GEAAML
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)c(C(=O)[O-])c2)cc1C	ZINC000035397697	570349053	/nfs/dbraw/zinc/34/90/53/570349053.db2.gz	NDXYYMJPVQEGJY-UHFFFAOYSA-N	-2	1	391.449	2.034	50	0		GEAAML
COc1cc(/C=C2/NC(=S)[N-]C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000004618167	570387966	/nfs/dbraw/zinc/38/79/66/570387966.db2.gz	ORABJUNQEVDLLS-RIYZIHGNSA-N	-2	1	384.413	2.318	50	0		GEAAML
CSCC[C@H](NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O)C(=O)[O-]	ZINC000002157489	570974054	/nfs/dbraw/zinc/97/40/54/570974054.db2.gz	CUXNAQFGWYVKQC-AWEZNQCLSA-N	-2	1	379.434	2.062	50	0		GEAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)c1	ZINC000010657344	570984998	/nfs/dbraw/zinc/98/49/98/570984998.db2.gz	DSRXCVCMCVYXQM-UHFFFAOYSA-N	-3	1	393.373	2.045	50	0		GEAAML
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000024433046	207291064	/nfs/dbraw/zinc/29/10/64/207291064.db2.gz	OTSAGQHDSQSCEM-UHFFFAOYSA-N	-2	1	382.369	2.292	50	0		GEAAML
O=C([O-])c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000035209372	570263701	/nfs/dbraw/zinc/26/37/01/570263701.db2.gz	PIBYDSPLHRCIJS-UHFFFAOYSA-N	-2	1	380.397	2.161	50	0		GEAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000011865392	570440227	/nfs/dbraw/zinc/44/02/27/570440227.db2.gz	LMTBHHZPNWMKCJ-QGZVFWFLSA-N	-2	1	381.384	2.162	50	0		GEAAML
CCSCC[C@@H](NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O)C(=O)[O-]	ZINC000011865453	570440564	/nfs/dbraw/zinc/44/05/64/570440564.db2.gz	FENTVIBLSFHPKL-OAHLLOKOSA-N	-2	1	393.461	2.452	50	0		GEAAML
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1	ZINC000012605151	531552356	/nfs/dbraw/zinc/55/23/56/531552356.db2.gz	KQVHTGDTQBLQKX-UHFFFAOYSA-N	-2	1	399.222	2.047	50	0		GEAAML
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000013030656	531558128	/nfs/dbraw/zinc/55/81/28/531558128.db2.gz	KAANQDIIMBVKGJ-UHFFFAOYSA-N	-2	1	383.447	2.206	50	0		GEAAML
Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C	ZINC000079097302	208072918	/nfs/dbraw/zinc/07/29/18/208072918.db2.gz	JNNLBSCPHSVARZ-UHFFFAOYSA-N	-2	1	387.417	2.281	50	0		GEAAML
O=C([O-])[C@@H](CCc1nn[n-]n1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000095836199	222360475	/nfs/dbraw/zinc/36/04/75/222360475.db2.gz	KCVWFZXYTWJVIX-QGZVFWFLSA-N	-2	1	393.403	2.124	50	0		GEAAML
Cc1cc(C)cc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)c(C(=O)[O-])c2)c1	ZINC000035397707	570349066	/nfs/dbraw/zinc/34/90/66/570349066.db2.gz	ITURQHQFAYJAJZ-UHFFFAOYSA-N	-2	1	391.449	2.034	50	0		GEAAML
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1)OCC(=O)N2	ZINC000012446840	570666883	/nfs/dbraw/zinc/66/68/83/570666883.db2.gz	PYQXTGDGAJBSOE-UHFFFAOYSA-N	-2	1	390.417	2.144	50	0		GEAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)cc1	ZINC000001049465	206345481	/nfs/dbraw/zinc/34/54/81/206345481.db2.gz	ZBAOXGUVNUTLHL-UHFFFAOYSA-N	-2	1	396.380	2.222	50	0		GEAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1	ZINC000078938840	208066420	/nfs/dbraw/zinc/06/64/20/208066420.db2.gz	OIXZBAGCHYGJAS-UHFFFAOYSA-N	-2	1	379.390	2.130	50	0		GEAAML
COCCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc21	ZINC000057996886	570706488	/nfs/dbraw/zinc/70/64/88/570706488.db2.gz	LBSBXYVIZNPYIZ-UHFFFAOYSA-N	-2	1	389.433	2.490	50	0		GEAAML
O=C([O-])c1cc(I)c([O-])c(I)c1	ZINC000004099416	531511651	/nfs/dbraw/zinc/51/16/51/531511651.db2.gz	XREKTVACBXQCSB-UHFFFAOYSA-N	-2	1	389.914	2.300	50	0	in-vitro	GEAAML
O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1	ZINC000084405251	208091032	/nfs/dbraw/zinc/09/10/32/208091032.db2.gz	YMCBECBDQZRYTD-UHFFFAOYSA-N	-2	1	380.353	2.281	50	0		GEAAML
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccs2)CC1	ZINC000058009380	136154271	/nfs/dbraw/zinc/15/42/71/136154271.db2.gz	HNWVSQSEVPSJEC-UHFFFAOYSA-N	-2	1	395.506	2.389	50	0		GEAAML
COc1cc(/C=C/C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000004644931	570389123	/nfs/dbraw/zinc/38/91/23/570389123.db2.gz	MODCYLSWKCUTQM-YCRREMRBSA-N	-2	1	377.374	2.292	50	0		GEAAML
Cc1cc([O-])c2c(C)c(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(=O)oc2c1	ZINC000011865460	570440984	/nfs/dbraw/zinc/44/09/84/570440984.db2.gz	RTXHXLWWUGSESJ-MRXNPFEDSA-N	-2	1	395.411	2.470	50	0		GEAAML
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000033254068	570861762	/nfs/dbraw/zinc/86/17/62/570861762.db2.gz	CRAHCAJSDZSUEM-UHFFFAOYSA-N	-2	1	376.434	2.331	50	0		GEAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002101598	570942630	/nfs/dbraw/zinc/94/26/30/570942630.db2.gz	LMTBHHZPNWMKCJ-KRWDZBQOSA-N	-2	1	381.384	2.162	50	0		GEAAML
Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1	ZINC000079044940	601834217	/nfs/dbraw/zinc/83/42/17/601834217.db2.gz	LUQWRUNVHCZNEN-UHFFFAOYSA-N	-2	1	394.359	2.259	50	0		GEAAML
O=S(=O)([O-])c1cc2cc(S(=O)(=O)[O-])c(Cl)c(O)c2c([O-])c1Cl	ZINC000004499555	531516619	/nfs/dbraw/zinc/51/66/19/531516619.db2.gz	MUVMOZAAOKBDPR-UHFFFAOYSA-N	-3	1	389.190	2.051	50	0		GEAAML
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1c([O-])ccc3ccccc31)CC2	ZINC000082120926	208078833	/nfs/dbraw/zinc/07/88/33/208078833.db2.gz	ZUHGUJQTJLZXAI-KRWDZBQOSA-N	-2	1	396.443	2.473	50	0		GEAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2)c1C	ZINC000012541983	570842498	/nfs/dbraw/zinc/84/24/98/570842498.db2.gz	RVMCIUGLJSDUQL-UHFFFAOYSA-N	-2	1	391.449	2.034	50	0		GEAAML
Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000012604839	570888217	/nfs/dbraw/zinc/88/82/17/570888217.db2.gz	VLVQLIJRXJDXSP-UHFFFAOYSA-N	-2	1	397.474	2.217	50	0		GEAAML
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)C1	ZINC000032081081	207391001	/nfs/dbraw/zinc/39/10/01/207391001.db2.gz	XDUUIGNCSDNGCG-NSHDSACASA-N	-2	1	378.381	2.064	50	0		GEAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1F	ZINC000032081748	207391338	/nfs/dbraw/zinc/39/13/38/207391338.db2.gz	ICZYDKINXFHTBS-GFCCVEGCSA-N	-2	1	392.408	2.372	50	0		GEAAML
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)c(C(=O)[O-])c2)c(C)c1	ZINC000035397695	570348923	/nfs/dbraw/zinc/34/89/23/570348923.db2.gz	GSAZHMTWCOGDNF-UHFFFAOYSA-N	-2	1	391.449	2.034	50	0		GEAAML
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000001828719	209340011	/nfs/dbraw/zinc/34/00/11/209340011.db2.gz	XLBIIOQBXPTJPA-SOFGYWHQSA-N	-2	1	377.374	2.292	50	0		GEAAML
O=C([O-])C[C@@H](NC(=O)c1cnc(-c2ccncc2)[n-]c1=O)c1ccccc1F	ZINC000096141569	211308769	/nfs/dbraw/zinc/30/87/69/211308769.db2.gz	QIBADDBZRSJLMW-OAHLLOKOSA-N	-2	1	382.351	2.329	50	0		GEAAML
O=C([O-])CCc1cc2n(n1)CCCN(C(=O)Cc1ccc([O-])c(Cl)c1)C2	ZINC000072436457	211120812	/nfs/dbraw/zinc/12/08/12/211120812.db2.gz	MQMSOMNFWPLODD-UHFFFAOYSA-N	-2	1	377.828	2.234	50	0		GEAAML
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2cc(C)ccn2c1=O	ZINC000205950349	570328221	/nfs/dbraw/zinc/32/82/21/570328221.db2.gz	IEDYYICHVXLLDO-CQSZACIVSA-N	-2	1	382.372	2.102	50	0		GEAAML
COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C(=O)[O-])cc1OC	ZINC000004297041	570366181	/nfs/dbraw/zinc/36/61/81/570366181.db2.gz	VPOFHSJFJVLRFC-UHFFFAOYSA-N	-2	1	394.405	2.161	50	0		GEAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c1	ZINC000012557237	531553010	/nfs/dbraw/zinc/55/30/10/531553010.db2.gz	LJXRQKDBQBNAPN-UHFFFAOYSA-N	-2	1	391.373	2.182	50	0		GEAAML
COCCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc21	ZINC000057995657	210903602	/nfs/dbraw/zinc/90/36/02/210903602.db2.gz	VYALHICMJJLUFN-UHFFFAOYSA-N	-2	1	389.433	2.490	50	0		GEAAML
CCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000000860685	570533742	/nfs/dbraw/zinc/53/37/42/570533742.db2.gz	RGWRBXNTBDNUTJ-UHFFFAOYSA-N	-2	1	396.490	2.401	50	0		GEAAML
CC(=O)c1ccc(S(=O)(=O)[N-]c2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1	ZINC000064843339	570563521	/nfs/dbraw/zinc/56/35/21/570563521.db2.gz	RPQGMNXSZYCQMR-UHFFFAOYSA-N	-2	1	389.433	2.383	50	0		GEAAML
O=C(N=C([O-])Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(F)(F)F	ZINC000001891135	209341638	/nfs/dbraw/zinc/34/16/38/209341638.db2.gz	GPCKCWTUVLTUHN-UHFFFAOYSA-N	-2	1	394.356	2.154	50	0		GEAAML
CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000022514533	210413789	/nfs/dbraw/zinc/41/37/89/210413789.db2.gz	WOVOLXWAEIBBHA-UHFFFAOYSA-N	-2	1	376.434	2.206	50	0		GEAAML
O=C([O-])[C@H](CCCC[N-]C(=O)C(F)(F)F)NC(=O)OCc1ccccc1	ZINC000016158117	210185109	/nfs/dbraw/zinc/18/51/09/210185109.db2.gz	KJWAGCTWJDRZLH-LBPRGKRZSA-N	-2	1	376.331	2.215	50	0		GEAAML
C[C@H]1Oc2ccc(S(=O)(=O)[N-]c3ccc(CCC(=O)[O-])cc3)cc2NC1=O	ZINC000015108384	210152351	/nfs/dbraw/zinc/15/23/51/210152351.db2.gz	DXWAOBZLNDDYFW-LLVKDONJSA-N	-2	1	390.417	2.224	50	0		GEAAML
Cn1c2ccccc2c([O-])c(C(=O)Nc2c([O-])c3ccccc3[nH]c2=O)c1=O	ZINC000100741607	211390710	/nfs/dbraw/zinc/39/07/10/211390710.db2.gz	WMFIVOZNYXVKCB-UHFFFAOYSA-N	-2	1	377.356	2.044	50	0		GEAAML
O=C([O-])[C@H](CCc1nn[n-]n1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000095836201	211282876	/nfs/dbraw/zinc/28/28/76/211282876.db2.gz	KCVWFZXYTWJVIX-KRWDZBQOSA-N	-2	1	393.403	2.124	50	0		GEAAML
O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000006471851	570481201	/nfs/dbraw/zinc/48/12/01/570481201.db2.gz	JNCVVWSWKCPTRB-UHFFFAOYSA-N	-2	1	384.413	2.455	50	0		GEAAML
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)cc1	ZINC000012536226	570836255	/nfs/dbraw/zinc/83/62/55/570836255.db2.gz	CUOLHKFTKYHWSD-UHFFFAOYSA-N	-3	1	393.373	2.045	50	0		GEAAML
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000000854321	209273714	/nfs/dbraw/zinc/27/37/14/209273714.db2.gz	MPQBLNOMRNYVFE-YCRREMRBSA-N	-2	1	377.374	2.292	50	0		GEAAML
Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)[O-]	ZINC000058357901	136155252	/nfs/dbraw/zinc/15/52/52/136155252.db2.gz	TZSHXKRCUDPRDO-UHFFFAOYSA-N	-2	1	394.424	2.470	50	0		GEAAML
Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCOCC1	ZINC000060800438	136155823	/nfs/dbraw/zinc/15/58/23/136155823.db2.gz	SKANQWFIMOQEMS-UHFFFAOYSA-N	-2	1	394.424	2.470	50	0		GEAAML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCOCC1	ZINC000007708327	571019070	/nfs/dbraw/zinc/01/90/70/571019070.db2.gz	DUMYHWXLOBJKIV-UHFFFAOYSA-N	-2	1	376.434	2.331	50	0		GEAAML
Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2F)n1	ZINC000078726057	600676601	/nfs/dbraw/zinc/67/66/01/600676601.db2.gz	FDFKTWCCSWSDLM-UHFFFAOYSA-N	-2	1	378.385	2.455	50	0		GEAAML
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](C)C(=O)[O-])c2)c1	ZINC000095970575	211288857	/nfs/dbraw/zinc/28/88/57/211288857.db2.gz	DDGZWBLSSIJKNZ-CYBMUJFWSA-N	-2	1	376.434	2.246	50	0		GEAAML
O=C([O-])c1ccc(CNC(=O)CN2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)o1	ZINC000095371847	211227260	/nfs/dbraw/zinc/22/72/60/211227260.db2.gz	UEGDEUFYEGYAMM-HNNXBMFYSA-N	-2	1	386.404	2.172	50	0		GEAAML
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2cc(C)ccn2c1=O	ZINC000205950328	570328189	/nfs/dbraw/zinc/32/81/89/570328189.db2.gz	IEDYYICHVXLLDO-AWEZNQCLSA-N	-2	1	382.372	2.102	50	0		GEAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cnc1N1CCCC1	ZINC000035397463	570348970	/nfs/dbraw/zinc/34/89/70/570348970.db2.gz	MBWNKOONJQANMY-UHFFFAOYSA-N	-2	1	383.376	2.459	50	0		GEAAML
CCSCC[C@H](NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O)C(=O)[O-]	ZINC000002109196	211513081	/nfs/dbraw/zinc/51/30/81/211513081.db2.gz	FENTVIBLSFHPKL-HNNXBMFYSA-N	-2	1	393.461	2.452	50	0		GEAAML
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2)C1	ZINC000032084227	210571242	/nfs/dbraw/zinc/57/12/42/210571242.db2.gz	UHVRQLTVUHZUDA-JTQLQIEISA-N	-2	1	396.371	2.203	50	0		GEAAML
Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCOCC1	ZINC000033254067	570861996	/nfs/dbraw/zinc/86/19/96/570861996.db2.gz	OUPBCTUKWCZKMW-UHFFFAOYSA-N	-2	1	394.424	2.470	50	0		GEAAML
Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC000155543276	570914482	/nfs/dbraw/zinc/91/44/82/570914482.db2.gz	HMQIOGIMCINPOJ-UHFFFAOYSA-N	-2	1	382.395	2.323	50	0		GEAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)c1	ZINC000058367910	136155268	/nfs/dbraw/zinc/15/52/68/136155268.db2.gz	RYRKVRIXDBRFLB-UHFFFAOYSA-N	-2	1	380.397	2.161	50	0		GEAAML
Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)cc1C(=O)[O-]	ZINC000013348846	136200951	/nfs/dbraw/zinc/20/09/51/136200951.db2.gz	ZODCAPNVPWLQNY-UHFFFAOYSA-N	-2	1	376.434	2.331	50	0		GEAAML
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@H](C)C(=O)[O-])c2)c1	ZINC000095970576	222367894	/nfs/dbraw/zinc/36/78/94/222367894.db2.gz	DDGZWBLSSIJKNZ-ZDUSSCGKSA-N	-2	1	376.434	2.246	50	0		GEAAML
O=C([O-])CCn1cc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](C(=O)[O-])C2)c2ccc(F)cc21	ZINC000036365926	570644659	/nfs/dbraw/zinc/64/46/59/570644659.db2.gz	DJTDGCPNMJRONS-GTNSWQLSSA-N	-2	1	392.383	2.177	50	0		GEAAML
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000000854323	212189422	/nfs/dbraw/zinc/18/94/22/212189422.db2.gz	BWYFYNSFFJMHAT-VQHVLOKHSA-N	-2	1	377.374	2.292	50	0		GEAAML
CSCC[C@@H](NC(=O)CCc1c(C)c2ccc([O-])cc2oc1=O)C(=O)[O-]	ZINC000011865404	221133833	/nfs/dbraw/zinc/13/38/33/221133833.db2.gz	CUXNAQFGWYVKQC-CQSZACIVSA-N	-2	1	379.434	2.062	50	0		GEAAML
CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000035378119	570346400	/nfs/dbraw/zinc/34/64/00/570346400.db2.gz	OUSLLJUXNBMGBR-UHFFFAOYSA-N	-2	1	399.428	2.498	50	0		GEAAML
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2)cc1	ZINC000095969885	222367271	/nfs/dbraw/zinc/36/72/71/222367271.db2.gz	CNABTIRUWVLOFW-UHFFFAOYSA-N	-2	1	388.445	2.485	50	0		GEAAML
O=C([O-])CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CC1	ZINC000095969887	222368085	/nfs/dbraw/zinc/36/80/85/222368085.db2.gz	IEIXTDPVBJISBF-UHFFFAOYSA-N	-2	1	392.408	2.316	50	0		GEAAML
COc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)c(C(=O)[O-])c2)cc1Cl	ZINC000035397728	570348931	/nfs/dbraw/zinc/34/89/31/570348931.db2.gz	USLQBESLUNFVPK-UHFFFAOYSA-N	-2	1	385.829	2.309	50	0		GEAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1C	ZINC000013078920	221260085	/nfs/dbraw/zinc/26/00/85/221260085.db2.gz	SUPXQCOHIWFPPY-UHFFFAOYSA-N	-2	1	383.447	2.206	50	0		GEAAML
CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1	ZINC000563543464	568278216	/nfs/dbraw/zinc/27/82/16/568278216.db2.gz	LHTWZCYIXITNTJ-UHFFFAOYSA-N	-2	1	390.870	2.097	50	0		GEAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)NC4=O)c1	ZINC000004913544	570363487	/nfs/dbraw/zinc/36/34/87/570363487.db2.gz	XHMXIHNXATYPPD-UHFFFAOYSA-N	-2	1	396.380	2.222	50	0		GEAAML
O=C([O-])CCn1cc([C@H](C(=O)[O-])[N@H+]2CCC[C@H](C(=O)[O-])C2)c2ccc(F)cc21	ZINC000036365928	570645039	/nfs/dbraw/zinc/64/50/39/570645039.db2.gz	DJTDGCPNMJRONS-APPDUMDISA-N	-2	1	392.383	2.177	50	0		GEAAML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c1C	ZINC000032833523	570845485	/nfs/dbraw/zinc/84/54/85/570845485.db2.gz	PBBBMNFUIZMVPA-UHFFFAOYSA-N	-2	1	398.462	2.174	50	0		GEAAML
O=C([O-])c1ccc(CNC(=O)CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)o1	ZINC000095371846	571061397	/nfs/dbraw/zinc/06/13/97/571061397.db2.gz	UEGDEUFYEGYAMM-OAHLLOKOSA-N	-2	1	386.404	2.172	50	0		GEAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(N3CCOCC3)c2)ccc1F	ZINC000058364333	136155206	/nfs/dbraw/zinc/15/52/06/136155206.db2.gz	GYIZLQIZIVLJCL-UHFFFAOYSA-N	-2	1	398.387	2.300	50	0		GEAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCC4)c2)c1	ZINC000022959698	570379898	/nfs/dbraw/zinc/37/98/98/570379898.db2.gz	AJJMEXVVWUBYFS-UHFFFAOYSA-N	-2	1	384.417	2.390	50	0		GEAAML
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000010515583	221103909	/nfs/dbraw/zinc/10/39/09/221103909.db2.gz	RSCLZAKYBPCJRT-UHFFFAOYSA-N	-2	1	376.434	2.206	50	0		GEAAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(=O)[O-])cc2)c(C)c1	ZINC000012630661	221215582	/nfs/dbraw/zinc/21/55/82/221215582.db2.gz	ZIMWWUIYRIMCSC-UHFFFAOYSA-N	-2	1	376.434	2.309	50	0		GEAAML