smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])C(=O)[O-]	ZINC000263408452	283528964	/nfs/dbraw/zinc/52/89/64/283528964.db2.gz	IGDBTWYPGOUMLM-GFCCVEGCSA-N	-2	3	322.361	1.190	10	0		DDAEHL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC(F)(F)F)c1C	ZINC000020553786	182231072	/nfs/dbraw/zinc/23/10/72/182231072.db2.gz	BYMDBPBZGDIYES-UHFFFAOYSA-N	-2	3	311.281	1.842	10	0		DDAEHL
CC[C@@H](C)Oc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1	ZINC000039291392	183016597	/nfs/dbraw/zinc/01/65/97/183016597.db2.gz	FXYFCHIWHHJQLC-SECBINFHSA-N	-2	3	312.333	1.794	10	0		DDAEHL
CC[C@@H](C)Oc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1	ZINC000039291392	183016599	/nfs/dbraw/zinc/01/65/99/183016599.db2.gz	FXYFCHIWHHJQLC-SECBINFHSA-N	-2	3	312.333	1.794	10	0		DDAEHL
C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000042865238	183314935	/nfs/dbraw/zinc/31/49/35/183314935.db2.gz	VAZDTJPXGIWEBO-IUCAKERBSA-N	-2	3	301.368	1.213	10	0		DDAEHL
C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])C1	ZINC000110991959	194378900	/nfs/dbraw/zinc/37/89/00/194378900.db2.gz	JUQFFLMKTKGSOY-AOOOYVTPSA-N	-2	3	313.379	1.414	10	0		DDAEHL
CC(C)c1oc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1[O-]	ZINC000227173860	407629197	/nfs/dbraw/zinc/62/91/97/407629197.db2.gz	DDLYBCSWHZRZHA-SNVBAGLBSA-N	-2	3	316.766	1.556	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c[nH]1	ZINC000087672811	185230026	/nfs/dbraw/zinc/23/00/26/185230026.db2.gz	XZERKUIZWIHAFT-UHFFFAOYSA-N	-2	3	317.411	1.532	10	0		DDAEHL
O=C([O-])[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1	ZINC000097061621	185405319	/nfs/dbraw/zinc/40/53/19/185405319.db2.gz	CHMMWYSSNIKQIW-RNFRBKRXSA-N	-2	3	309.796	1.933	10	0		DDAEHL
COC(=O)CS(=O)(=O)[N-]c1cc(Br)ccc1[O-]	ZINC000094573809	193381472	/nfs/dbraw/zinc/38/14/72/193381472.db2.gz	JSWKCXOTTRLTHL-UHFFFAOYSA-N	-2	3	324.152	1.069	10	0		DDAEHL
O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)C1CCOCC1	ZINC000061564260	184174550	/nfs/dbraw/zinc/17/45/50/184174550.db2.gz	QTZRXAOCEYJVEF-UHFFFAOYSA-N	-2	3	321.301	1.584	10	0		DDAEHL
O=C(CCP(=O)([O-])[O-])Nc1cccc(Br)c1	ZINC000096907989	185390787	/nfs/dbraw/zinc/39/07/87/185390787.db2.gz	FEOHPJUXSGMSFZ-UHFFFAOYSA-N	-2	3	308.068	1.955	10	0		DDAEHL
C[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114762	193162099	/nfs/dbraw/zinc/16/20/99/193162099.db2.gz	UECGAJSZYDEHHZ-QMMMGPOBSA-N	-2	3	301.339	1.991	10	0		DDAEHL
CSCCCC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000169153439	162182558	/nfs/dbraw/zinc/18/25/58/162182558.db2.gz	JHEZIONNWRKDJE-UHFFFAOYSA-N	-2	3	323.461	1.797	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000092890247	185348171	/nfs/dbraw/zinc/34/81/71/185348171.db2.gz	BRJTWEKPLAZADA-MNOVXSKESA-N	-2	3	315.395	1.072	10	0		DDAEHL
COC[C@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000274951990	186448944	/nfs/dbraw/zinc/44/89/44/186448944.db2.gz	SVXCPDOLIYOCOH-ZETCQYMHSA-N	-2	3	307.755	1.815	10	0		DDAEHL
COC(=O)CCCS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-]	ZINC000150266046	291002124	/nfs/dbraw/zinc/00/21/24/291002124.db2.gz	LOEMCGPCJYANOY-UHFFFAOYSA-N	-2	3	319.310	1.219	10	0		DDAEHL
O=c1[n-][nH]c(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc12	ZINC000074859317	191373836	/nfs/dbraw/zinc/37/38/36/191373836.db2.gz	XLHMZWKOJCEVQU-UHFFFAOYSA-N	-2	3	323.355	1.491	10	0		DDAEHL
O=c1[n-][nH]c(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc12	ZINC000074859317	191373838	/nfs/dbraw/zinc/37/38/38/191373838.db2.gz	XLHMZWKOJCEVQU-UHFFFAOYSA-N	-2	3	323.355	1.491	10	0		DDAEHL
CCCC1(C(=O)[O-])CCN(CC(=O)[N-]C(=O)OCC)CC1	ZINC000062847188	184256467	/nfs/dbraw/zinc/25/64/67/184256467.db2.gz	CJFBJHYEQBOIFH-UHFFFAOYSA-N	-2	3	300.355	1.226	10	0		DDAEHL
C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000049161599	407116353	/nfs/dbraw/zinc/11/63/53/407116353.db2.gz	YBUCXTDXHSMYSP-SSDOTTSWSA-N	-2	3	315.376	1.079	10	0		DDAEHL
CC(=O)CC(=O)Nc1ccc2cc([O-])cc(S(=O)(=O)[O-])c2c1	ZINC000005159461	181211744	/nfs/dbraw/zinc/21/17/44/181211744.db2.gz	OXPHXVVDAJRNTR-UHFFFAOYSA-N	-2	3	323.326	1.710	10	0		DDAEHL
C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000036983901	182859267	/nfs/dbraw/zinc/85/92/67/182859267.db2.gz	OQNHSGXIZPQGLR-UHFFFAOYSA-N	-2	3	300.155	1.117	10	0		DDAEHL
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1	ZINC000070556025	406819115	/nfs/dbraw/zinc/81/91/15/406819115.db2.gz	LAALIPOXIUNJRD-LDYMZIIASA-N	-2	3	319.329	1.887	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)s1	ZINC000228550405	163341774	/nfs/dbraw/zinc/34/17/74/163341774.db2.gz	XDPJKDYAVYXFER-QMMMGPOBSA-N	-2	3	321.445	1.407	10	0		DDAEHL
O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(=O)[nH]c2)c1	ZINC000040828393	183138571	/nfs/dbraw/zinc/13/85/71/183138571.db2.gz	AWWLSXOKPPOFIQ-UHFFFAOYSA-N	-2	3	312.278	1.013	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000070555952	406818784	/nfs/dbraw/zinc/81/87/84/406818784.db2.gz	JSHLIBZGFAVPIO-IUCAKERBSA-N	-2	3	319.329	1.887	10	0		DDAEHL
CCC[C@@H](C[N-]S(=O)(=O)c1cn(CCC)c(C)n1)C(=O)[O-]	ZINC000087502184	185227200	/nfs/dbraw/zinc/22/72/00/185227200.db2.gz	OJFMFFUVAHRGLS-NSHDSACASA-N	-2	3	317.411	1.381	10	0		DDAEHL
CCC[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000087501083	185227319	/nfs/dbraw/zinc/22/73/19/185227319.db2.gz	BJUQRGAQGORFIG-QMMMGPOBSA-N	-2	3	307.318	1.744	10	0		DDAEHL
C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000235307438	354332793	/nfs/dbraw/zinc/33/27/93/354332793.db2.gz	XKYIFXJPHADIEN-RKDXNWHRSA-N	-2	3	301.368	1.213	10	0		DDAEHL
CC(C)OCCS(=O)(=O)[N-]c1cccc(/C=C/C(=O)[O-])c1	ZINC000093667481	193287093	/nfs/dbraw/zinc/28/70/93/193287093.db2.gz	MFQJXZZREGBYOK-VOTSOKGWSA-N	-2	3	313.375	1.951	10	0		DDAEHL
C[C@](NC(=O)c1ccc2n[n-]nc2c1)(C(=O)[O-])C(F)(F)F	ZINC000094217702	193349630	/nfs/dbraw/zinc/34/96/30/193349630.db2.gz	PIEAAOBGABEWSP-JTQLQIEISA-N	-2	3	302.212	1.093	10	0		DDAEHL
Cc1cccc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C(F)(F)F)c1	ZINC000094221274	193350879	/nfs/dbraw/zinc/35/08/79/193350879.db2.gz	JFJOOKJEECVNKH-SNVBAGLBSA-N	-2	3	311.281	1.679	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCCC[C@H]1C	ZINC000041038297	183158446	/nfs/dbraw/zinc/15/84/46/183158446.db2.gz	YQHGXIBLAMVPIR-OQPBUACISA-N	-2	3	316.379	1.603	10	0		DDAEHL
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1	ZINC000070555829	406818894	/nfs/dbraw/zinc/81/88/94/406818894.db2.gz	YZYMJBSPIVUPJF-NXEZZACHSA-N	-2	3	301.339	1.747	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)nc1C	ZINC000070556171	406820172	/nfs/dbraw/zinc/82/01/72/406820172.db2.gz	YAVNJZVQZWIPIL-GHMZBOCLSA-N	-2	3	315.395	1.133	10	0		DDAEHL
Cc1cccc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C(F)(F)F)c1	ZINC000094221273	193350606	/nfs/dbraw/zinc/35/06/06/193350606.db2.gz	JFJOOKJEECVNKH-JTQLQIEISA-N	-2	3	311.281	1.679	10	0		DDAEHL
CCCn1cc(S(=O)(=O)[N-][C@@](C)(CC)C(=O)[O-])nc1C	ZINC000094221057	193350905	/nfs/dbraw/zinc/35/09/05/193350905.db2.gz	CHYPXGBZANVVQF-LBPRGKRZSA-N	-2	3	303.384	1.133	10	0		DDAEHL
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1ccc(Cl)cc1[O-]	ZINC000020561415	182232518	/nfs/dbraw/zinc/23/25/18/182232518.db2.gz	DIZSHWSUUFBIBB-SNVBAGLBSA-N	-2	3	309.709	1.194	10	0		DDAEHL
O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)ccc1F	ZINC000021810525	182291900	/nfs/dbraw/zinc/29/19/00/182291900.db2.gz	MYVHIFCJZAECEV-UHFFFAOYSA-N	-2	3	301.217	1.365	10	0		DDAEHL
C[C@H]1CCc2c(sc3[n-]c(COCC(=O)[O-])nc(=O)c23)C1	ZINC000041074098	183162977	/nfs/dbraw/zinc/16/29/77/183162977.db2.gz	QLWAGWCJSYRXAR-ZETCQYMHSA-N	-2	3	308.359	1.711	10	0		DDAEHL
CCCN(CCC)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1	ZINC000041115267	183167030	/nfs/dbraw/zinc/16/70/30/183167030.db2.gz	VKXUEVZTXNZNGD-UHFFFAOYSA-N	-2	3	301.368	1.559	10	0		DDAEHL
C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1C	ZINC000037731702	337367593	/nfs/dbraw/zinc/36/75/93/337367593.db2.gz	JDIKEZWSHSUCNX-NQMVMOMDSA-N	-2	3	301.368	1.211	10	0		DDAEHL
Cc1cc(CS(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)no1	ZINC000087844862	185233013	/nfs/dbraw/zinc/23/30/13/185233013.db2.gz	YEUNAYCQCDMNPL-UHFFFAOYSA-N	-2	3	310.331	1.552	10	0		DDAEHL
COCCCS(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-]	ZINC000148550889	186044801	/nfs/dbraw/zinc/04/48/01/186044801.db2.gz	PBDRSIHCKFSSSK-UHFFFAOYSA-N	-2	3	303.336	1.172	10	0		DDAEHL
C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000235615872	354333165	/nfs/dbraw/zinc/33/31/65/354333165.db2.gz	SQGZAZCRXUVJJK-DTWKUNHWSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CC[C@](C)(CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000080885988	192197737	/nfs/dbraw/zinc/19/77/37/192197737.db2.gz	MQKPAJFGCXLPRS-GFCCVEGCSA-N	-2	3	323.317	1.102	10	0		DDAEHL
C[C@@H](N)c1nc([O-])c(-c2cccc(Br)c2)c(=O)[n-]1	ZINC000093163813	193209062	/nfs/dbraw/zinc/20/90/62/193209062.db2.gz	OWOPIDXWJQWBLB-ZCFIWIBFSA-N	-2	3	310.151	1.925	10	0		DDAEHL
C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000042865234	183314964	/nfs/dbraw/zinc/31/49/64/183314964.db2.gz	VAZDTJPXGIWEBO-DTWKUNHWSA-N	-2	3	301.368	1.213	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCCC1	ZINC000052339318	407150074	/nfs/dbraw/zinc/15/00/74/407150074.db2.gz	FFNXQIRIHQNYIQ-QMMMGPOBSA-N	-2	3	301.368	1.355	10	0		DDAEHL
COCC[C@H](C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000081706986	192315576	/nfs/dbraw/zinc/31/55/76/192315576.db2.gz	IDBXKHPFZSMFCK-QMMMGPOBSA-N	-2	3	307.393	1.079	10	0		DDAEHL
Cc1nc([C@@H]2CSCCS2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000094499722	193374552	/nfs/dbraw/zinc/37/45/52/193374552.db2.gz	GECGPFGNXBGSQR-VIFPVBQESA-N	-2	3	300.405	1.617	10	0		DDAEHL
Cc1nc(C[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cs1	ZINC000041010818	183155731	/nfs/dbraw/zinc/15/57/31/183155731.db2.gz	OPBBMIFGIHEVGE-UHFFFAOYSA-N	-2	3	318.401	1.690	10	0		DDAEHL
O=C([O-])/C=C/c1cncc(S(=O)(=O)[N-]CCC(F)(F)F)c1	ZINC000063102677	184271043	/nfs/dbraw/zinc/27/10/43/184271043.db2.gz	BYJMBTPGJVDCMP-OWOJBTEDSA-N	-2	3	324.280	1.410	10	0		DDAEHL
COCCS(=O)(=O)[N-]c1ccc(/C=C/C(=O)[O-])c(F)c1	ZINC000088084492	185239076	/nfs/dbraw/zinc/23/90/76/185239076.db2.gz	PHMBMXVHFOYLSR-HWKANZROSA-N	-2	3	303.311	1.312	10	0		DDAEHL
CCO[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br	ZINC000070286598	190877498	/nfs/dbraw/zinc/87/74/98/190877498.db2.gz	NTIVLHDWKOSHLI-UHFFFAOYSA-N	-2	3	324.152	1.377	10	0		DDAEHL
O=C(Nc1ccccn1)C1=C([O-])c2ccccc2S(=O)(=O)[N-]1	ZINC000039261896	304009053	/nfs/dbraw/zinc/00/90/53/304009053.db2.gz	XRXYFCIBSPQECM-UHFFFAOYSA-N	-2	3	317.326	1.239	10	0	in-vitro	DDAEHL
O=C([O-])c1cncc([N-]S(=O)(=O)CCc2ccncc2)c1	ZINC000062947148	184262014	/nfs/dbraw/zinc/26/20/14/184262014.db2.gz	LBYYQGOCLQCCNE-UHFFFAOYSA-N	-2	3	307.331	1.159	10	0		DDAEHL
O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1	ZINC000063155411	184274817	/nfs/dbraw/zinc/27/48/17/184274817.db2.gz	IKGSXDCDSHXNTM-SECBINFHSA-N	-2	3	319.766	1.959	10	0		DDAEHL
CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000068601710	406651566	/nfs/dbraw/zinc/65/15/66/406651566.db2.gz	NLVVQGWFKOLPFA-DTWKUNHWSA-N	-2	3	301.368	1.355	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1	ZINC000070555827	406817865	/nfs/dbraw/zinc/81/78/65/406817865.db2.gz	YZYMJBSPIVUPJF-VHSXEESVSA-N	-2	3	301.339	1.747	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c1	ZINC000085977071	484003632	/nfs/dbraw/zinc/00/36/32/484003632.db2.gz	FGDKDRBUHVQBIQ-PSASIEDQSA-N	-2	3	319.404	1.276	10	0		DDAEHL
CCC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1[O-])C(=O)[O-]	ZINC000263408453	698505345	/nfs/dbraw/zinc/50/53/45/698505345.db2.gz	IGDBTWYPGOUMLM-LBPRGKRZSA-N	-2	3	322.361	1.190	10	0		DDAEHL
CCCn1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)nc1C	ZINC000087492626	185226469	/nfs/dbraw/zinc/22/64/69/185226469.db2.gz	KZENNXFIXQMXKJ-NSHDSACASA-N	-2	3	317.411	1.237	10	0		DDAEHL
CCCC[C@@H](CC)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000223798946	354315353	/nfs/dbraw/zinc/31/53/53/354315353.db2.gz	AFSXMYOBIKMGDA-SECBINFHSA-N	-2	3	303.384	1.603	10	0		DDAEHL
COc1cc(C[C@](C)(NN)C(=O)[O-])cc(Br)c1[O-]	ZINC000504439929	262490308	/nfs/dbraw/zinc/49/03/08/262490308.db2.gz	KEIKKIDHEDKGNM-NSHDSACASA-N	-2	3	319.155	1.012	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-]CC[C@@H](C)CCC(=O)[O-])c[nH]1	ZINC000079062380	185151928	/nfs/dbraw/zinc/15/19/28/185151928.db2.gz	ZUMNSFBRPBJVFS-VIFPVBQESA-N	-2	3	303.384	1.141	10	0		DDAEHL
CC(C)(C)[C@@H](CC[N-]S(=O)(=O)c1c[nH]cn1)CCC(=O)[O-]	ZINC000079285762	185163326	/nfs/dbraw/zinc/16/33/26/185163326.db2.gz	GEZWTGOPIJQEND-SNVBAGLBSA-N	-2	3	317.411	1.605	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2C(=O)[O-])c[nH]1	ZINC000094744684	193394879	/nfs/dbraw/zinc/39/48/79/193394879.db2.gz	NKFSETKYLGFABX-NXEZZACHSA-N	-2	3	301.368	1.030	10	0		DDAEHL
Cc1nc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cs1	ZINC000041010874	183155883	/nfs/dbraw/zinc/15/58/83/183155883.db2.gz	HNHVIKJWTXGONF-UHFFFAOYSA-N	-2	3	318.401	1.690	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)s1	ZINC000042818170	183311942	/nfs/dbraw/zinc/31/19/42/183311942.db2.gz	GEYPXCMYPNXMCZ-VIFPVBQESA-N	-2	3	319.404	1.223	10	0		DDAEHL
CC(C)C[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000090272024	185288630	/nfs/dbraw/zinc/28/86/30/185288630.db2.gz	ZQMADMBWUTZMDW-LBPRGKRZSA-N	-2	3	321.420	1.522	10	0		DDAEHL
C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)CC(=O)[O-]	ZINC000147247836	186039084	/nfs/dbraw/zinc/03/90/84/186039084.db2.gz	IOKAHUACKIVHPL-ZETCQYMHSA-N	-2	3	309.746	1.868	10	0		DDAEHL
Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)s1	ZINC000235935907	354334381	/nfs/dbraw/zinc/33/43/81/354334381.db2.gz	XRVJLGQRIOCJQL-RKDXNWHRSA-N	-2	3	304.393	1.373	10	0		DDAEHL
CC[C@H](C)Oc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1	ZINC000039291394	183016338	/nfs/dbraw/zinc/01/63/38/183016338.db2.gz	FXYFCHIWHHJQLC-VIFPVBQESA-N	-2	3	312.333	1.794	10	0		DDAEHL
CC[C@H](C)Oc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1	ZINC000039291394	183016339	/nfs/dbraw/zinc/01/63/39/183016339.db2.gz	FXYFCHIWHHJQLC-VIFPVBQESA-N	-2	3	312.333	1.794	10	0		DDAEHL
Cc1cccc(NC(=O)CSc2nc([O-])cc(=O)[n-]2)c1C	ZINC000104609591	194019729	/nfs/dbraw/zinc/01/97/29/194019729.db2.gz	NVCKJSUSRGQNLC-UHFFFAOYSA-N	-2	3	305.359	1.378	10	0		DDAEHL
CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732191	337367560	/nfs/dbraw/zinc/36/75/60/337367560.db2.gz	HVKTWMBCKWUEHE-WPRPVWTQSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114562	193162818	/nfs/dbraw/zinc/16/28/18/193162818.db2.gz	NCHCAEWQCASJMH-SNVBAGLBSA-N	-2	3	319.354	1.209	10	0		DDAEHL
C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000062185650	184216076	/nfs/dbraw/zinc/21/60/76/184216076.db2.gz	BQWNNZLHECMXJU-JTQLQIEISA-N	-2	3	309.343	1.887	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000070555901	406818611	/nfs/dbraw/zinc/81/86/11/406818611.db2.gz	LIOCPXKZTDXIRY-NXEZZACHSA-N	-2	3	302.352	1.213	10	0		DDAEHL
CNCc1nc([O-])c(-c2cccc(Br)c2)c(=O)[n-]1	ZINC000093163805	193209781	/nfs/dbraw/zinc/20/97/81/193209781.db2.gz	KJOQQXMUTWCCLZ-UHFFFAOYSA-N	-2	3	310.151	1.624	10	0		DDAEHL
CC(C)COc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1	ZINC000039291390	183016445	/nfs/dbraw/zinc/01/64/45/183016445.db2.gz	RDNGZKZKIDVHHL-UHFFFAOYSA-N	-2	3	312.333	1.652	10	0		DDAEHL
CC(C)COc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1	ZINC000039291390	183016448	/nfs/dbraw/zinc/01/64/48/183016448.db2.gz	RDNGZKZKIDVHHL-UHFFFAOYSA-N	-2	3	312.333	1.652	10	0		DDAEHL
O=P([O-])([O-])C(Nc1cccc(Cl)c1)P(=O)([O-])[O-]	ZINC000584631329	337377138	/nfs/dbraw/zinc/37/71/38/337377138.db2.gz	LOPWHNYARXGWNC-UHFFFAOYSA-N	-4	3	301.559	1.391	10	0		DDAEHL
CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732190	337367590	/nfs/dbraw/zinc/36/75/90/337367590.db2.gz	HVKTWMBCKWUEHE-SCZZXKLOSA-N	-2	3	301.368	1.355	10	0		DDAEHL
O=P([O-])([O-])C(Nc1ccc2c(c1)CCCC2)P(=O)([O-])[O-]	ZINC000584636654	337379230	/nfs/dbraw/zinc/37/92/30/337379230.db2.gz	VBPKQOLLLYYIBA-UHFFFAOYSA-N	-4	3	321.206	1.616	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCC1	ZINC000134713136	484033386	/nfs/dbraw/zinc/03/33/86/484033386.db2.gz	DZVOCQNSAVAZJQ-SSDOTTSWSA-N	-2	3	304.393	1.698	10	0		DDAEHL
Cc1ncc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCC2)s1	ZINC000235970273	354334069	/nfs/dbraw/zinc/33/40/69/354334069.db2.gz	FBPVHTLITGLUFY-UHFFFAOYSA-N	-2	3	304.393	1.517	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](O)C2)c(F)c1	ZINC000092114375	193162243	/nfs/dbraw/zinc/16/22/43/193162243.db2.gz	KFEMKTWTAOJPRV-ZJUUUORDSA-N	-2	3	317.338	1.106	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-][C@H]2CCCCC[C@@H]2C(=O)[O-])cn1C	ZINC000094744887	193394992	/nfs/dbraw/zinc/39/49/92/193394992.db2.gz	MDFQWIFVQURMFR-QWRGUYRKSA-N	-2	3	315.395	1.040	10	0		DDAEHL
Cc1ncc(C[N-]S(=O)(=O)c2ccsc2C(=O)[O-])s1	ZINC000040997913	183155239	/nfs/dbraw/zinc/15/52/39/183155239.db2.gz	KDSHMLRPRMJJNS-UHFFFAOYSA-N	-2	3	318.401	1.690	10	0		DDAEHL
O=C([O-])c1cc(Br)ccc1NC(=O)c1nc[n-]n1	ZINC000110986780	194377412	/nfs/dbraw/zinc/37/74/12/194377412.db2.gz	DWUZPKOQULHHDG-UHFFFAOYSA-N	-2	3	311.095	1.518	10	0		DDAEHL
CC(C)N(CC(=O)[O-])CC(=O)/N=c1/cc[n-]n1[C@@H](C)C1CC1	ZINC000263572261	408177786	/nfs/dbraw/zinc/17/77/86/408177786.db2.gz	KSCXSFPTMCQXOR-DUQXYPDUSA-N	-2	3	308.382	1.010	10	0		DDAEHL
CCSCCC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000302334070	529177866	/nfs/dbraw/zinc/17/78/66/529177866.db2.gz	IJARPXVQHWQSHS-UHFFFAOYSA-N	-2	3	323.461	1.797	10	0		DDAEHL
O=C([O-])c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1	ZINC000090623873	185307343	/nfs/dbraw/zinc/30/73/43/185307343.db2.gz	ZGPCURSTLLGHAP-UHFFFAOYSA-N	-2	3	309.285	1.817	10	0		DDAEHL
O=C([O-])c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1	ZINC000090623873	185307344	/nfs/dbraw/zinc/30/73/44/185307344.db2.gz	ZGPCURSTLLGHAP-UHFFFAOYSA-N	-2	3	309.285	1.817	10	0		DDAEHL
CCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000083755665	192382000	/nfs/dbraw/zinc/38/20/00/192382000.db2.gz	BAMQMONJCIGZIN-VIFPVBQESA-N	-2	3	321.420	1.469	10	0		DDAEHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)s1	ZINC000230324633	354326525	/nfs/dbraw/zinc/32/65/25/354326525.db2.gz	IQBGKSFIWMKGTM-RKDXNWHRSA-N	-2	3	314.388	1.541	10	0		DDAEHL
Cc1nc([C@H]2CSCCS2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000094499723	193374390	/nfs/dbraw/zinc/37/43/90/193374390.db2.gz	GECGPFGNXBGSQR-SECBINFHSA-N	-2	3	300.405	1.617	10	0		DDAEHL
C[C@]1(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)CCCO1	ZINC000094796821	193399646	/nfs/dbraw/zinc/39/96/46/193399646.db2.gz	DMFRGUROBMQTTI-GFCCVEGCSA-N	-2	3	319.404	1.223	10	0		DDAEHL
COC(=O)[C@@H](C)S(=O)(=O)[N-]c1cc(C)c(C)c(C(=O)[O-])c1	ZINC000062348947	184231467	/nfs/dbraw/zinc/23/14/67/184231467.db2.gz	PPRGNMJUJJDENP-SECBINFHSA-N	-2	3	315.347	1.305	10	0		DDAEHL
CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000215027958	407480962	/nfs/dbraw/zinc/48/09/62/407480962.db2.gz	NMNAWLVFKLSVAD-GXSJLCMTSA-N	-2	3	315.395	1.601	10	0		DDAEHL
COc1ccc(Cl)cc1[N-]S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088767337	185264684	/nfs/dbraw/zinc/26/46/84/185264684.db2.gz	BZHDPRUFZIPVIR-UHFFFAOYSA-N	-2	3	322.770	1.412	10	0		DDAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F	ZINC000088720443	185263313	/nfs/dbraw/zinc/26/33/13/185263313.db2.gz	BMLFNDUXWKFMNA-UHFFFAOYSA-N	-2	3	321.236	1.326	10	0		DDAEHL
Cc1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)o1	ZINC000092114680	193162198	/nfs/dbraw/zinc/16/21/98/193162198.db2.gz	BVBILMVNVIHVKG-UHFFFAOYSA-N	-2	3	313.306	1.904	10	0		DDAEHL
COC[C@@H](C)S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000274910006	212026622	/nfs/dbraw/zinc/02/66/22/212026622.db2.gz	KHVHVBJGUQDISE-SSDOTTSWSA-N	-2	3	307.755	1.815	10	0		DDAEHL
O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000021015010	182260997	/nfs/dbraw/zinc/26/09/97/182260997.db2.gz	OLMBEHUAGBFGTN-ZZXKWVIFSA-N	-2	3	309.265	1.625	10	0		DDAEHL
O=C([O-])c1cc([O-])c(C(=O)c2c([O-])cccc2C(=O)[O-])c([O-])c1	ZINC000038605858	183004860	/nfs/dbraw/zinc/00/48/60/183004860.db2.gz	GDOBKEGMJQMRRP-UHFFFAOYSA-N	-5	3	318.237	1.431	10	0		DDAEHL
O=C([O-])c1cc([O-])c(C(=O)c2c([O-])cccc2C(=O)[O-])c(O)c1	ZINC000038605858	183004863	/nfs/dbraw/zinc/00/48/63/183004863.db2.gz	GDOBKEGMJQMRRP-UHFFFAOYSA-N	-4	3	318.237	1.431	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCCC[C@@H]1C	ZINC000041038294	183158477	/nfs/dbraw/zinc/15/84/77/183158477.db2.gz	YQHGXIBLAMVPIR-ISVAXAHUSA-N	-2	3	316.379	1.603	10	0		DDAEHL
C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)C1	ZINC000110935249	194371546	/nfs/dbraw/zinc/37/15/46/194371546.db2.gz	ZWVDMOOSSZYHIF-UWVGGRQHSA-N	-2	3	313.379	1.414	10	0		DDAEHL
O=C([O-])c1cc(NC(=O)c2nc[n-]n2)cc(C(F)(F)F)c1	ZINC000110986732	194377230	/nfs/dbraw/zinc/37/72/30/194377230.db2.gz	AKADMIZHINIVTO-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
O=C([O-])C(=O)Cc1ccc([O-])c(I)c1	ZINC000001529821	560181098	/nfs/dbraw/zinc/18/10/98/560181098.db2.gz	CDAHFUWPMGXLON-UHFFFAOYSA-N	-2	3	306.055	1.193	10	0	in-vitro	DDAEHL
O=C([O-])[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000097063829	185405553	/nfs/dbraw/zinc/40/55/53/185405553.db2.gz	AXKBQPPSZACEFL-HTQZYQBOSA-N	-2	3	305.302	1.496	10	0		DDAEHL
Cc1cc(C)cc(NCC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000205758911	354306840	/nfs/dbraw/zinc/30/68/40/354306840.db2.gz	FWSAKEAJHGSSPU-UHFFFAOYSA-N	-4	3	309.195	1.397	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2C(=O)[O-])c[nH]1	ZINC000094744726	193394850	/nfs/dbraw/zinc/39/48/50/193394850.db2.gz	IBHXCNAZXFEVEW-NXEZZACHSA-N	-2	3	315.395	1.284	10	0		DDAEHL
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(Cl)cc1[O-]	ZINC000020561418	182232115	/nfs/dbraw/zinc/23/21/15/182232115.db2.gz	DIZSHWSUUFBIBB-JTQLQIEISA-N	-2	3	309.709	1.194	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])CC(C)C)c[nH]1	ZINC000088273889	185244459	/nfs/dbraw/zinc/24/44/59/185244459.db2.gz	CWFIQSCFOQAEQF-SNVBAGLBSA-N	-2	3	317.411	1.387	10	0		DDAEHL
CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000300673630	354458477	/nfs/dbraw/zinc/45/84/77/354458477.db2.gz	UTRWBNALKJLTGQ-IUCAKERBSA-N	-2	3	319.408	1.060	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000080147510	192006364	/nfs/dbraw/zinc/00/63/64/192006364.db2.gz	PVIGYUVFLXNYRB-XKSSXDPKSA-N	-2	3	301.389	1.913	10	0		DDAEHL
COC(=O)CCCS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-]	ZINC000049062005	407114110	/nfs/dbraw/zinc/11/41/10/407114110.db2.gz	XBCSZDOZYJBNKZ-UHFFFAOYSA-N	-2	3	319.310	1.219	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccco2)c(F)c1	ZINC000092114540	193162194	/nfs/dbraw/zinc/16/21/94/193162194.db2.gz	ZODWUPVFWXOMGF-UHFFFAOYSA-N	-2	3	313.306	1.638	10	0		DDAEHL
CCOCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000063153604	184274152	/nfs/dbraw/zinc/27/41/52/184274152.db2.gz	GWWQWEDXUFXUIX-UHFFFAOYSA-N	-2	3	307.755	1.816	10	0		DDAEHL
CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732193	337367522	/nfs/dbraw/zinc/36/75/22/337367522.db2.gz	HVKTWMBCKWUEHE-WCBMZHEXSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CC(C)[C@H](CC[N-]S(=O)(=O)c1cn(C)cn1)CCC(=O)[O-]	ZINC000079250895	185162400	/nfs/dbraw/zinc/16/24/00/185162400.db2.gz	SEEQCGBIVQPEHT-NSHDSACASA-N	-2	3	317.411	1.226	10	0		DDAEHL
O=C1[N-]C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc21	ZINC000005234614	181218995	/nfs/dbraw/zinc/21/89/95/181218995.db2.gz	ZVCFOQWJHQDRJJ-UHFFFAOYSA-N	-2	3	302.311	1.371	10	0		DDAEHL
O=c1[n-][nH]c(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc12	ZINC000005236077	181219582	/nfs/dbraw/zinc/21/95/82/181219582.db2.gz	GNYBLVPHTDCMHI-UHFFFAOYSA-N	-2	3	317.326	1.430	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC[C@@H](C)C1	ZINC000041034937	183158466	/nfs/dbraw/zinc/15/84/66/183158466.db2.gz	GCKDUZJLDBPTKM-OQPBUACISA-N	-2	3	316.379	1.603	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]C2(CO)CCCC2)c1	ZINC000053066098	183885793	/nfs/dbraw/zinc/88/57/93/183885793.db2.gz	VMNPHUUKZPIEJG-UHFFFAOYSA-N	-2	3	305.377	1.030	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1	ZINC000070555948	406818288	/nfs/dbraw/zinc/81/82/88/406818288.db2.gz	DNQIEEQXRNWQKU-WPRPVWTQSA-N	-2	3	319.329	1.887	10	0		DDAEHL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]c1c2nsnc2ccc1Cl	ZINC000088119951	185240063	/nfs/dbraw/zinc/24/00/63/185240063.db2.gz	SOXSJZOYGHJQDS-SCSAIBSYSA-N	-2	3	321.767	1.560	10	0		DDAEHL
Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)N(C)CCC(=O)[O-]	ZINC000088769261	185264972	/nfs/dbraw/zinc/26/49/72/185264972.db2.gz	DCDBBYIKTLOFMR-UHFFFAOYSA-N	-2	3	318.399	1.144	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCCO2)c(F)c1	ZINC000092114548	193162176	/nfs/dbraw/zinc/16/21/76/193162176.db2.gz	JLNNGLWRDPUNFS-SNVBAGLBSA-N	-2	3	317.338	1.371	10	0		DDAEHL
CC[C@H](C)[C@H](NCC(=O)/N=c1/cc[n-]n1[C@@H](C)C1CC1)C(=O)[O-]	ZINC000263192312	287749964	/nfs/dbraw/zinc/74/99/64/287749964.db2.gz	VYKOXUWIZPTIAY-VEWUEDPMSA-N	-2	3	322.409	1.303	10	0		DDAEHL
CCC(O)(CC)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114826	193162436	/nfs/dbraw/zinc/16/24/36/193162436.db2.gz	QBSQUUYJTOYEQS-UHFFFAOYSA-N	-2	3	319.354	1.353	10	0		DDAEHL
CC1(C)CCc2sc3[n-]c(COCC(=O)[O-])nc(=O)c3c21	ZINC000094309122	193358396	/nfs/dbraw/zinc/35/83/96/193358396.db2.gz	BCPONHONOSSXDE-UHFFFAOYSA-N	-2	3	308.359	1.810	10	0		DDAEHL
O=C([O-])[C@@H]1CCCN1C(=O)c1cc([O-])cc(Br)c1	ZINC000700702145	699222425	/nfs/dbraw/zinc/22/24/25/699222425.db2.gz	JRDNCYDHSJFJRE-JTQLQIEISA-N	-2	3	314.135	1.844	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nccs2)c(F)c1	ZINC000092114565	193162233	/nfs/dbraw/zinc/16/22/33/193162233.db2.gz	CYLLZIQNINVTOF-UHFFFAOYSA-N	-2	3	316.335	1.459	10	0		DDAEHL
COc1cccc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)c1[O-]	ZINC000094217541	193349740	/nfs/dbraw/zinc/34/97/40/193349740.db2.gz	LNBFQLOWMLFXRN-LLVKDONJSA-N	-2	3	307.224	1.536	10	0		DDAEHL
CCC[C@@H](CC[N-]S(=O)(=O)c1cn(C)cn1)CCC(=O)[O-]	ZINC000079230193	185162156	/nfs/dbraw/zinc/16/21/56/185162156.db2.gz	HEJAKYGNNUKMBG-LLVKDONJSA-N	-2	3	317.411	1.370	10	0		DDAEHL
O=C([O-])c1cc(C(F)(F)F)ccc1NC(=O)c1nc[n-]n1	ZINC000090639323	185307818	/nfs/dbraw/zinc/30/78/18/185307818.db2.gz	MKGDIUIPCLRKAW-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
CC1(C)C(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1(C)C	ZINC000092816277	185344071	/nfs/dbraw/zinc/34/40/71/185344071.db2.gz	LDXQBQIYSGYCBO-UHFFFAOYSA-N	-2	3	301.368	1.068	10	0		DDAEHL
O=C([O-])[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1Cl	ZINC000085327834	192490927	/nfs/dbraw/zinc/49/09/27/192490927.db2.gz	KCFXKQSYKTWXIY-IUCAKERBSA-N	-2	3	318.782	1.657	10	0		DDAEHL
COc1ccc(C(=O)NCc2nc(C(=O)[O-])cs2)c([O-])c1	ZINC000090932307	192954597	/nfs/dbraw/zinc/95/45/97/192954597.db2.gz	KWWCLFLZHHRWLU-UHFFFAOYSA-N	-2	3	308.315	1.486	10	0		DDAEHL
O=C([O-])c1ccc([N-]S(=O)(=O)C2CCOCC2)c(F)c1	ZINC000063009521	184266099	/nfs/dbraw/zinc/26/60/99/184266099.db2.gz	GAWOBVYONJUIKG-UHFFFAOYSA-N	-2	3	303.311	1.445	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]CCC(F)(F)F)s1	ZINC000063099867	184270524	/nfs/dbraw/zinc/27/05/24/184270524.db2.gz	JKQJHEIMBHIURC-UHFFFAOYSA-N	-2	3	317.310	1.606	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@H](C)C2)c[nH]1	ZINC000070418817	190887851	/nfs/dbraw/zinc/88/78/51/190887851.db2.gz	VSZQQJYSTIPTAL-TVQRCGJNSA-N	-2	3	315.395	1.284	10	0		DDAEHL
CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000300673633	354458445	/nfs/dbraw/zinc/45/84/45/354458445.db2.gz	UTRWBNALKJLTGQ-RKDXNWHRSA-N	-2	3	319.408	1.060	10	0		DDAEHL
COC(=O)c1ccc(F)c([N-]S(=O)(=O)CCCC(=O)[O-])c1	ZINC000091858592	193118803	/nfs/dbraw/zinc/11/88/03/193118803.db2.gz	UZFCNKZZZJLSRO-UHFFFAOYSA-N	-2	3	319.310	1.219	10	0		DDAEHL
Cc1ccccc1S(=O)(=O)[N-][C@](C)(C(=O)[O-])C(F)(F)F	ZINC000094221144	193350577	/nfs/dbraw/zinc/35/05/77/193350577.db2.gz	QAWIAAQXOQCEJX-SNVBAGLBSA-N	-2	3	311.281	1.679	10	0		DDAEHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2F)CCSC1	ZINC000043511365	183369529	/nfs/dbraw/zinc/36/95/29/183369529.db2.gz	DCSCLUWMCUITHA-LLVKDONJSA-N	-2	3	323.342	1.203	10	0		DDAEHL
O=C([O-])CSc1n[n-]c(-c2ccc(Br)cn2)n1	ZINC000061863524	184190599	/nfs/dbraw/zinc/19/05/99/184190599.db2.gz	YXGVDTNQIIWDEZ-UHFFFAOYSA-N	-2	3	315.152	1.806	10	0		DDAEHL
CC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCCC1	ZINC000052339952	418479919	/nfs/dbraw/zinc/47/99/19/418479919.db2.gz	AUMAHRVBFWOJMP-NSHDSACASA-N	-2	3	315.395	1.745	10	0		DDAEHL
C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000300667294	354458609	/nfs/dbraw/zinc/45/86/09/354458609.db2.gz	XKYIFXJPHADIEN-BDAKNGLRSA-N	-2	3	301.368	1.213	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nccs1	ZINC000080265414	192018919	/nfs/dbraw/zinc/01/89/19/192018919.db2.gz	QLAYGNFJTPYFQC-LURJTMIESA-N	-2	3	318.401	1.942	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CCCO1	ZINC000092114169	193162732	/nfs/dbraw/zinc/16/27/32/193162732.db2.gz	PHLIFFJXIWXGJP-GZMMTYOYSA-N	-2	3	317.338	1.370	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]Cc2ccsc2)s1	ZINC000057411961	184037248	/nfs/dbraw/zinc/03/72/48/184037248.db2.gz	FWFPCOCOSSIJSX-UHFFFAOYSA-N	-2	3	317.413	1.915	10	0		DDAEHL
CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000215028002	407481423	/nfs/dbraw/zinc/48/14/23/407481423.db2.gz	NMNAWLVFKLSVAD-MWLCHTKSSA-N	-2	3	315.395	1.601	10	0		DDAEHL
COC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000274951988	408573518	/nfs/dbraw/zinc/57/35/18/408573518.db2.gz	SVXCPDOLIYOCOH-SSDOTTSWSA-N	-2	3	307.755	1.815	10	0		DDAEHL
Cc1nc(C=Cc2cccc3nccn32)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503546	222203158	/nfs/dbraw/zinc/20/31/58/222203158.db2.gz	AZWGAIQLEMQHLB-FNORWQNLSA-N	-2	3	324.340	1.914	10	0		DDAEHL
CCn1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cn1	ZINC000195503260	201395120	/nfs/dbraw/zinc/39/51/20/201395120.db2.gz	KLZAEXBPOGKHII-GQCTYLIASA-N	-2	3	302.334	1.482	10	0		DDAEHL
C[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114763	193162134	/nfs/dbraw/zinc/16/21/34/193162134.db2.gz	UECGAJSZYDEHHZ-MRVPVSSYSA-N	-2	3	301.339	1.991	10	0		DDAEHL
Cc1ccc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C(F)(F)F)cc1	ZINC000094221346	193350890	/nfs/dbraw/zinc/35/08/90/193350890.db2.gz	AXCLEJJNIVFRJS-SNVBAGLBSA-N	-2	3	311.281	1.679	10	0		DDAEHL
CCOCCC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000020565033	182233410	/nfs/dbraw/zinc/23/34/10/182233410.db2.gz	MCLSJJMETDMBNO-UHFFFAOYSA-N	-2	3	307.393	1.080	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C2CCCCC2)s1	ZINC000013305500	406860845	/nfs/dbraw/zinc/86/08/45/406860845.db2.gz	RSRXNBDZEFMFFT-UHFFFAOYSA-N	-2	3	303.405	1.986	10	0		DDAEHL
C[C@H](CC[N-]S(=O)(=O)c1cncc(F)c1)CCC(=O)[O-]	ZINC000079064289	185152155	/nfs/dbraw/zinc/15/21/55/185152155.db2.gz	HOTGYZPBWWOGRO-VIFPVBQESA-N	-2	3	304.343	1.390	10	0		DDAEHL
CC(C)([N-]S(=O)(=O)c1ccccc1F)C(C)(C)C(=O)[O-]	ZINC000087623329	185229368	/nfs/dbraw/zinc/22/93/68/185229368.db2.gz	RKPUUQWSRRTQQE-UHFFFAOYSA-N	-2	3	303.355	1.993	10	0		DDAEHL
Cc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)[O-])C2)s1	ZINC000235937204	354334235	/nfs/dbraw/zinc/33/42/35/354334235.db2.gz	XRVJLGQRIOCJQL-IUCAKERBSA-N	-2	3	304.393	1.373	10	0		DDAEHL
O=C([O-])C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1	ZINC000192893813	222137257	/nfs/dbraw/zinc/13/72/57/222137257.db2.gz	XQHPCOPBBMERLV-CYBMUJFWSA-N	-2	3	310.313	1.904	10	0		DDAEHL
CC(C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000090272025	185288580	/nfs/dbraw/zinc/28/85/80/185288580.db2.gz	ZQMADMBWUTZMDW-GFCCVEGCSA-N	-2	3	321.420	1.522	10	0		DDAEHL
C[C@@]([N-]c1nnnn1-c1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000094222188	193350587	/nfs/dbraw/zinc/35/05/87/193350587.db2.gz	BGHZZJLVZFATMX-SNVBAGLBSA-N	-2	3	301.228	1.480	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c[nH]1	ZINC000094744724	193394939	/nfs/dbraw/zinc/39/49/39/193394939.db2.gz	IBHXCNAZXFEVEW-VHSXEESVSA-N	-2	3	315.395	1.284	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1	ZINC000070556024	406818929	/nfs/dbraw/zinc/81/89/29/406818929.db2.gz	LAALIPOXIUNJRD-KWQFWETISA-N	-2	3	319.329	1.887	10	0		DDAEHL
C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1C	ZINC000037731700	337367557	/nfs/dbraw/zinc/36/75/57/337367557.db2.gz	JDIKEZWSHSUCNX-MRTMQBJTSA-N	-2	3	301.368	1.211	10	0		DDAEHL
CCCn1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)nc1C	ZINC000087492627	185226676	/nfs/dbraw/zinc/22/66/76/185226676.db2.gz	KZENNXFIXQMXKJ-LLVKDONJSA-N	-2	3	317.411	1.237	10	0		DDAEHL
CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])c(C=O)c1)C(=O)[O-]	ZINC000144094172	186034669	/nfs/dbraw/zinc/03/46/69/186034669.db2.gz	DCYKYFMFAFQHSE-LLVKDONJSA-N	-2	3	309.318	1.725	10	0		DDAEHL
O=C([O-])[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000085327701	192491501	/nfs/dbraw/zinc/49/15/01/192491501.db2.gz	ISVRTZLBNQKKAQ-ONGXEEELSA-N	-2	3	319.329	1.887	10	0		DDAEHL
CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000020007936	182176915	/nfs/dbraw/zinc/17/69/15/182176915.db2.gz	NQZWNUVQPVNPRV-JTQLQIEISA-N	-2	3	318.420	1.209	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)s1	ZINC000042335916	183255270	/nfs/dbraw/zinc/25/52/70/183255270.db2.gz	CJAYMBAJWPLHFN-UHFFFAOYSA-N	-2	3	315.416	1.842	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])CC(C)C	ZINC000088273958	185244546	/nfs/dbraw/zinc/24/45/46/185244546.db2.gz	GALFPJFTJVQYHE-LLVKDONJSA-N	-2	3	318.395	1.707	10	0		DDAEHL
CCCn1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)nc1C	ZINC000094291245	193356399	/nfs/dbraw/zinc/35/63/99/193356399.db2.gz	QQMXMSANGAOCMD-UHFFFAOYSA-N	-2	3	315.395	1.277	10	0		DDAEHL
CC(C)[C@H](CC[N-]S(=O)(=O)c1c[nH]cn1)CCC(=O)[O-]	ZINC000079250873	185162215	/nfs/dbraw/zinc/16/22/15/185162215.db2.gz	VMLFQBCZOUTEOV-JTQLQIEISA-N	-2	3	303.384	1.215	10	0		DDAEHL
COCC[C@@H](C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000081706990	192315798	/nfs/dbraw/zinc/31/57/98/192315798.db2.gz	IDBXKHPFZSMFCK-MRVPVSSYSA-N	-2	3	307.393	1.079	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1CCCO1	ZINC000035216559	406969723	/nfs/dbraw/zinc/96/97/23/406969723.db2.gz	XBBQPYZLJHUVQM-VXNVDRBHSA-N	-2	3	305.377	1.292	10	0		DDAEHL
CC[C@@H](CC[N-]S(=O)(=O)c1cn(CC)cn1)CCC(=O)[O-]	ZINC000092890204	185348312	/nfs/dbraw/zinc/34/83/12/185348312.db2.gz	QDXWHIKIRRLKDS-LLVKDONJSA-N	-2	3	317.411	1.462	10	0		DDAEHL
C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)CC(=O)[O-]	ZINC000159670426	186133876	/nfs/dbraw/zinc/13/38/76/186133876.db2.gz	VRWAJHCCWYGIAG-ZETCQYMHSA-N	-2	3	309.746	1.868	10	0		DDAEHL
C[C@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000088512029	185254589	/nfs/dbraw/zinc/25/45/89/185254589.db2.gz	FYHNPHWDKSCEAM-WPRPVWTQSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CC(C)n1ncc2cc([N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cnc21	ZINC000049045953	183705773	/nfs/dbraw/zinc/70/57/73/183705773.db2.gz	DITJFYXDXQUWEE-QMMMGPOBSA-N	-2	3	312.351	1.227	10	0		DDAEHL
C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)CC(=O)[O-]	ZINC000147312535	186039497	/nfs/dbraw/zinc/03/94/97/186039497.db2.gz	SGKUVTKTZALIOL-ZETCQYMHSA-N	-2	3	309.746	1.868	10	0		DDAEHL
O=C(c1cc([O-])ccc1F)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1	ZINC000333503372	249004235	/nfs/dbraw/zinc/00/42/35/249004235.db2.gz	IAWIOJRBSJXOIM-LLVKDONJSA-N	-2	3	306.297	1.722	10	0		DDAEHL
CC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000040493893	183080325	/nfs/dbraw/zinc/08/03/25/183080325.db2.gz	ZZMGEPOHSZQMNN-UHFFFAOYSA-N	-2	3	307.318	1.987	10	0		DDAEHL
CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000040503090	183084260	/nfs/dbraw/zinc/08/42/60/183084260.db2.gz	RUBYTPHPCQQYNF-SNVBAGLBSA-N	-2	3	318.420	1.209	10	0		DDAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCC1CCCCC1	ZINC000037739502	418415279	/nfs/dbraw/zinc/41/52/79/418415279.db2.gz	XIFGROQLXMRNIP-UHFFFAOYSA-N	-2	3	301.368	1.357	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C(=O)[O-])nc1C	ZINC000087623162	185229207	/nfs/dbraw/zinc/22/92/07/185229207.db2.gz	RNFMHRSUYOVQBX-UHFFFAOYSA-N	-2	3	317.411	1.379	10	0		DDAEHL
CCCn1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C(=O)[O-])C2)nc1C	ZINC000097063964	185405595	/nfs/dbraw/zinc/40/55/95/185405595.db2.gz	PLLLQRLXGYILSH-QWRGUYRKSA-N	-2	3	315.395	1.133	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000089381464	192776844	/nfs/dbraw/zinc/77/68/44/192776844.db2.gz	BOZVDCOMIABECW-MNOVXSKESA-N	-2	3	316.379	1.461	10	0		DDAEHL
CO[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114651	193162202	/nfs/dbraw/zinc/16/22/02/193162202.db2.gz	MKCFMAAHOWJTOJ-WDEREUQCSA-N	-2	3	317.338	1.370	10	0		DDAEHL
Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000094558686	193379936	/nfs/dbraw/zinc/37/99/36/193379936.db2.gz	WQRKLVWQUHLWCI-GXSJLCMTSA-N	-2	3	317.338	1.045	10	0		DDAEHL
Cc1cc([N-]S(=O)(=O)N2CCCCC2)sc1C(=O)[O-]	ZINC000020558672	182231700	/nfs/dbraw/zinc/23/17/00/182231700.db2.gz	OLFWNCUXWNOICO-UHFFFAOYSA-N	-2	3	304.393	1.897	10	0		DDAEHL
Cc1cc(C)cc(NC(=O)CSc2nc([O-])cc(=O)[n-]2)c1	ZINC000104609635	194020497	/nfs/dbraw/zinc/02/04/97/194020497.db2.gz	VCLPMLYOGUHQJP-UHFFFAOYSA-N	-2	3	305.359	1.378	10	0		DDAEHL
C[C@@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCCC[C@H]1C(=O)[O-]	ZINC000262235986	163790723	/nfs/dbraw/zinc/79/07/23/163790723.db2.gz	AIDAHALFRSYDCE-CDNKDTADSA-N	-2	3	320.393	1.154	10	0		DDAEHL
CCC[C@H](CC[N-]S(=O)(=O)c1cn(C)cn1)CCC(=O)[O-]	ZINC000079230183	185161982	/nfs/dbraw/zinc/16/19/82/185161982.db2.gz	HEJAKYGNNUKMBG-NSHDSACASA-N	-2	3	317.411	1.370	10	0		DDAEHL
C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000235321017	354333477	/nfs/dbraw/zinc/33/34/77/354333477.db2.gz	SQGZAZCRXUVJJK-BDAKNGLRSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CC[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H]1C	ZINC000086083544	192547490	/nfs/dbraw/zinc/54/74/90/192547490.db2.gz	QPWIUHNPDZDEHH-NQMVMOMDSA-N	-2	3	301.368	1.211	10	0		DDAEHL
O=C([O-])c1ccc(Cl)cc1NC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000021817272	182293280	/nfs/dbraw/zinc/29/32/80/182293280.db2.gz	VNCCCELFNPCLIO-UHFFFAOYSA-N	-2	3	309.665	1.079	10	0		DDAEHL
CCOC([O-])=NC(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000042302141	183251660	/nfs/dbraw/zinc/25/16/60/183251660.db2.gz	TZURJILOPYEKLT-UHFFFAOYSA-N	-2	3	301.682	1.690	10	0		DDAEHL
CCOC(=O)[N-]C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000042302141	183251663	/nfs/dbraw/zinc/25/16/63/183251663.db2.gz	TZURJILOPYEKLT-UHFFFAOYSA-N	-2	3	301.682	1.690	10	0		DDAEHL
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000070555953	406818247	/nfs/dbraw/zinc/81/82/47/406818247.db2.gz	JSHLIBZGFAVPIO-RKDXNWHRSA-N	-2	3	319.329	1.887	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1	ZINC000070555947	406818440	/nfs/dbraw/zinc/81/84/40/406818440.db2.gz	DNQIEEQXRNWQKU-WCBMZHEXSA-N	-2	3	319.329	1.887	10	0		DDAEHL
N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)s1	ZINC000230324638	354326751	/nfs/dbraw/zinc/32/67/51/354326751.db2.gz	IQBGKSFIWMKGTM-DTWKUNHWSA-N	-2	3	314.388	1.541	10	0		DDAEHL
C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000235639479	354333260	/nfs/dbraw/zinc/33/32/60/354333260.db2.gz	XKYIFXJPHADIEN-IUCAKERBSA-N	-2	3	301.368	1.213	10	0		DDAEHL
COc1ccc([O-])c(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)c1	ZINC000094218490	193349988	/nfs/dbraw/zinc/34/99/88/193349988.db2.gz	XDZRZNGJYYJLGI-LLVKDONJSA-N	-2	3	307.224	1.536	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c1	ZINC000085977069	484003666	/nfs/dbraw/zinc/00/36/66/484003666.db2.gz	FGDKDRBUHVQBIQ-WCBMZHEXSA-N	-2	3	319.404	1.276	10	0		DDAEHL
C[C@@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000088512030	185254682	/nfs/dbraw/zinc/25/46/82/185254682.db2.gz	FYHNPHWDKSCEAM-PSASIEDQSA-N	-2	3	301.368	1.355	10	0		DDAEHL
O=C([O-])CCOc1cccc(CN2CCC(C(=O)[O-])CC2)c1	ZINC000077253197	191681681	/nfs/dbraw/zinc/68/16/81/191681681.db2.gz	UPAXVVAQIRFOOV-UHFFFAOYSA-N	-2	3	307.346	1.837	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nccs1	ZINC000080265317	192019606	/nfs/dbraw/zinc/01/96/06/192019606.db2.gz	ATXFKMRYCZQMJG-ZCFIWIBFSA-N	-2	3	318.401	1.942	10	0		DDAEHL
O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]n2cccc2)c1F	ZINC000091783089	193107479	/nfs/dbraw/zinc/10/74/79/193107479.db2.gz	BQQWEFUEQAZDBK-UHFFFAOYSA-N	-2	3	302.258	1.397	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCCC[C@H]1C	ZINC000041038296	183158368	/nfs/dbraw/zinc/15/83/68/183158368.db2.gz	YQHGXIBLAMVPIR-AMIZOPFISA-N	-2	3	316.379	1.603	10	0		DDAEHL
O=C([O-])c1ccc(NC(=O)NCCc2nccs2)c([O-])c1	ZINC000063136442	184273348	/nfs/dbraw/zinc/27/33/48/184273348.db2.gz	OEZATCNLQKDOBC-UHFFFAOYSA-N	-2	3	307.331	1.911	10	0		DDAEHL
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)[O-])C2)s1	ZINC000230324641	354326363	/nfs/dbraw/zinc/32/63/63/354326363.db2.gz	IQBGKSFIWMKGTM-IUCAKERBSA-N	-2	3	314.388	1.541	10	0		DDAEHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000080147155	192005648	/nfs/dbraw/zinc/00/56/48/192005648.db2.gz	CREMTWZWNMCLFE-YGOYTEALSA-N	-2	3	313.350	1.991	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nccs1	ZINC000080265419	192019231	/nfs/dbraw/zinc/01/92/31/192019231.db2.gz	QLAYGNFJTPYFQC-ZCFIWIBFSA-N	-2	3	318.401	1.942	10	0		DDAEHL
Cc1ccc(C)n1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114867	193162389	/nfs/dbraw/zinc/16/23/89/193162389.db2.gz	JLNDCWOJLNVURG-UHFFFAOYSA-N	-2	3	312.322	1.875	10	0		DDAEHL
CCC[C@H](COC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114787	193162427	/nfs/dbraw/zinc/16/24/27/193162427.db2.gz	IYYGKTDRHNSLSI-SNVBAGLBSA-N	-2	3	319.354	1.617	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)s1	ZINC000037981792	182951736	/nfs/dbraw/zinc/95/17/36/182951736.db2.gz	FPXTYMWILQBGRJ-VIFPVBQESA-N	-2	3	319.404	1.223	10	0		DDAEHL
CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000159141562	197330747	/nfs/dbraw/zinc/33/07/47/197330747.db2.gz	NNCQITSBXCHFCI-UHFFFAOYSA-N	-2	3	321.420	1.469	10	0		DDAEHL
CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000233995909	407709122	/nfs/dbraw/zinc/70/91/22/407709122.db2.gz	UTRWBNALKJLTGQ-DTWKUNHWSA-N	-2	3	319.408	1.060	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)c[nH]1	ZINC000070418671	190888212	/nfs/dbraw/zinc/88/82/12/190888212.db2.gz	DXQKJKKYEAMHBC-UHFFFAOYSA-N	-2	3	301.368	1.174	10	0		DDAEHL
CCOC(=O)CCS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-]	ZINC000149416503	186049499	/nfs/dbraw/zinc/04/94/99/186049499.db2.gz	GPYXAAVTRGQJIN-UHFFFAOYSA-N	-2	3	319.310	1.219	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]CC[C@@H](C)CCC(=O)[O-])c1	ZINC000092890201	185347950	/nfs/dbraw/zinc/34/79/50/185347950.db2.gz	GBZRLPZPNBQKDM-JTQLQIEISA-N	-2	3	303.384	1.072	10	0		DDAEHL
CCCOc1cc(C)ccc1[N-]S(=O)(=O)[C@H](C)C(=O)[O-]	ZINC000049050532	183706740	/nfs/dbraw/zinc/70/67/40/183706740.db2.gz	VAULOCSSDAMZHQ-SNVBAGLBSA-N	-2	3	301.364	1.999	10	0		DDAEHL
COc1ccc2[nH]c3c(nc(SCC(=O)[O-])[n-]c3=O)c2c1	ZINC000073668178	191340669	/nfs/dbraw/zinc/34/06/69/191340669.db2.gz	UXTQMADUIIQVHY-UHFFFAOYSA-N	-2	3	305.315	1.590	10	0		DDAEHL
Cc1ccc([O-])c(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1	ZINC000091996701	193138246	/nfs/dbraw/zinc/13/82/46/193138246.db2.gz	BGUWQOIOQVYQCG-LBPRGKRZSA-N	-2	3	304.268	1.935	10	0		DDAEHL
CCCn1[n-]cc/c1=N\C(=O)CN(CC(=O)[O-])c1ccccc1	ZINC000262312770	203258620	/nfs/dbraw/zinc/25/86/20/203258620.db2.gz	TTZWXVXHYYVDEJ-NBVRZTHBSA-N	-2	3	316.361	1.245	10	0		DDAEHL
O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cccc([O-])c1	ZINC000019733706	182139654	/nfs/dbraw/zinc/13/96/54/182139654.db2.gz	YYPZOQRPDMRNGX-UHFFFAOYSA-N	-2	3	307.327	1.964	10	0		DDAEHL
CCc1cc(=O)[n-]c(-c2ccc(N(C)[C@H](C)C(=O)[O-])nc2)n1	ZINC000263530412	408165161	/nfs/dbraw/zinc/16/51/61/408165161.db2.gz	WEPSEEGMNKJZBN-SECBINFHSA-N	-2	3	302.334	1.716	10	0		DDAEHL
Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCOCC2)c([O-])c1	ZINC000262921355	698484261	/nfs/dbraw/zinc/48/42/61/698484261.db2.gz	KLADYAFPDNGRLH-ZDUSSCGKSA-N	-2	3	307.346	1.558	10	0		DDAEHL
CO[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114652	193162795	/nfs/dbraw/zinc/16/27/95/193162795.db2.gz	MKCFMAAHOWJTOJ-QWRGUYRKSA-N	-2	3	317.338	1.370	10	0		DDAEHL
O=C([O-])CN1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1	ZINC000061125965	184162347	/nfs/dbraw/zinc/16/23/47/184162347.db2.gz	DCYPLEVTJTUCGX-UHFFFAOYSA-N	-2	3	312.753	1.278	10	0		DDAEHL
C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)C1	ZINC000130992608	162002676	/nfs/dbraw/zinc/00/26/76/162002676.db2.gz	KWGKDSBEDKTDOL-IUCAKERBSA-N	-2	3	303.405	1.842	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C(=O)[O-])c1	ZINC000092890234	185348322	/nfs/dbraw/zinc/34/83/22/185348322.db2.gz	TZRDUOWOVDWXTJ-UHFFFAOYSA-N	-2	3	303.384	1.071	10	0		DDAEHL
O=C([O-])CO[N-]C(=O)c1c(F)cc(Br)cc1F	ZINC000094715179	193393049	/nfs/dbraw/zinc/39/30/49/193393049.db2.gz	CAAUMTDDHLDYIW-UHFFFAOYSA-N	-2	3	310.050	1.473	10	0		DDAEHL
C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000049161594	407116784	/nfs/dbraw/zinc/11/67/84/407116784.db2.gz	YBUCXTDXHSMYSP-ZETCQYMHSA-N	-2	3	315.376	1.079	10	0		DDAEHL
CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000215027858	407480422	/nfs/dbraw/zinc/48/04/22/407480422.db2.gz	NMNAWLVFKLSVAD-ONGXEEELSA-N	-2	3	315.395	1.601	10	0		DDAEHL
CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000215027907	407480883	/nfs/dbraw/zinc/48/08/83/407480883.db2.gz	NMNAWLVFKLSVAD-KOLCDFICSA-N	-2	3	315.395	1.601	10	0		DDAEHL
C[C@@H](Oc1ccc(CN2CCC(C(=O)[O-])CC2)cc1)C(=O)[O-]	ZINC000077253102	191681121	/nfs/dbraw/zinc/68/11/21/191681121.db2.gz	NXDSYEKJWXJWOA-LLVKDONJSA-N	-2	3	307.346	1.835	10	0		DDAEHL
CCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114786	193162105	/nfs/dbraw/zinc/16/21/05/193162105.db2.gz	IYYGKTDRHNSLSI-JTQLQIEISA-N	-2	3	319.354	1.617	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]CC2CCOCC2)s1	ZINC000111163863	194398007	/nfs/dbraw/zinc/39/80/07/194398007.db2.gz	OSCLABPUOTZPTR-UHFFFAOYSA-N	-2	3	319.404	1.080	10	0		DDAEHL
C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)C1	ZINC000130992394	162002515	/nfs/dbraw/zinc/00/25/15/162002515.db2.gz	KWGKDSBEDKTDOL-BDAKNGLRSA-N	-2	3	303.405	1.842	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-]CC[C@@H](C)CCC(=O)[O-])nc1C	ZINC000079062366	185152174	/nfs/dbraw/zinc/15/21/74/185152174.db2.gz	ZEFYKPIQYULONI-JTQLQIEISA-N	-2	3	317.411	1.381	10	0		DDAEHL
CCC[C@@H](CC[N-]S(=O)(=O)c1c[nH]c(C)n1)CCC(=O)[O-]	ZINC000079230150	185161997	/nfs/dbraw/zinc/16/19/97/185161997.db2.gz	WCBAMEZDIIBGPV-LLVKDONJSA-N	-2	3	317.411	1.668	10	0		DDAEHL
O=C([O-])[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F	ZINC000085327702	192491050	/nfs/dbraw/zinc/49/10/50/192491050.db2.gz	ISVRTZLBNQKKAQ-MWLCHTKSSA-N	-2	3	319.329	1.887	10	0		DDAEHL
Cc1nc(CNC(=O)c2ccc(O)cc2[O-])sc1C(=O)[O-]	ZINC000110788488	194358577	/nfs/dbraw/zinc/35/85/77/194358577.db2.gz	YGGIJDXSRFGOBY-UHFFFAOYSA-N	-2	3	308.315	1.491	10	0		DDAEHL
C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCC[C@H](C(=O)[O-])C1	ZINC000164573573	162153993	/nfs/dbraw/zinc/15/39/93/162153993.db2.gz	WIMCFTSMYDKMNP-OCASDAEESA-N	-2	3	320.393	1.011	10	0		DDAEHL
C[N-]S(=O)(=O)c1ccc(CNc2ccccc2C(=O)[O-])o1	ZINC000088540051	185255651	/nfs/dbraw/zinc/25/56/51/185255651.db2.gz	LSUOTXXAUJANKV-UHFFFAOYSA-N	-2	3	310.331	1.498	10	0		DDAEHL
CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000068601705	406653213	/nfs/dbraw/zinc/65/32/13/406653213.db2.gz	NLVVQGWFKOLPFA-RKDXNWHRSA-N	-2	3	301.368	1.355	10	0		DDAEHL
C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)C1	ZINC000130992794	162002711	/nfs/dbraw/zinc/00/27/11/162002711.db2.gz	KWGKDSBEDKTDOL-RKDXNWHRSA-N	-2	3	303.405	1.842	10	0		DDAEHL
CCC[C@H](CC[N-]S(=O)(=O)c1c[nH]cn1)CCC(=O)[O-]	ZINC000079230137	185162026	/nfs/dbraw/zinc/16/20/26/185162026.db2.gz	UXKKEOIAYIAETL-JTQLQIEISA-N	-2	3	303.384	1.359	10	0		DDAEHL
CCC[C@H](C[N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-]	ZINC000087502399	185227226	/nfs/dbraw/zinc/22/72/26/185227226.db2.gz	MNJITZDDWVSRJE-SNVBAGLBSA-N	-2	3	303.355	1.913	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])CC(C)C)cn1C	ZINC000088273868	185244449	/nfs/dbraw/zinc/24/44/49/185244449.db2.gz	SGKGZYBIMYSTLU-LLVKDONJSA-N	-2	3	317.411	1.144	10	0		DDAEHL
C[C@@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCCC[C@@H]1C(=O)[O-]	ZINC000158446727	524324479	/nfs/dbraw/zinc/32/44/79/524324479.db2.gz	AIDAHALFRSYDCE-ZMJIVUTCSA-N	-2	3	320.393	1.154	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)s1	ZINC000088747551	185263840	/nfs/dbraw/zinc/26/38/40/185263840.db2.gz	PECDGLLHBBRWQJ-SECBINFHSA-N	-2	3	301.389	1.762	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](O)C2)c(F)c1	ZINC000092114378	193162261	/nfs/dbraw/zinc/16/22/61/193162261.db2.gz	KFEMKTWTAOJPRV-VHSXEESVSA-N	-2	3	317.338	1.106	10	0		DDAEHL
Cc1cccc(C)c1NC(=O)CSc1nc([O-])cc(=O)[n-]1	ZINC000104609587	194020507	/nfs/dbraw/zinc/02/05/07/194020507.db2.gz	HSIVFTHJMOZDSW-UHFFFAOYSA-N	-2	3	305.359	1.378	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(=O)[O-])C1	ZINC000070555899	406818094	/nfs/dbraw/zinc/81/80/94/406818094.db2.gz	LIOCPXKZTDXIRY-VHSXEESVSA-N	-2	3	302.352	1.213	10	0		DDAEHL
CCC[C@H](CC[N-]S(=O)(=O)c1c[nH]c(C)n1)CCC(=O)[O-]	ZINC000079230144	185162124	/nfs/dbraw/zinc/16/21/24/185162124.db2.gz	WCBAMEZDIIBGPV-NSHDSACASA-N	-2	3	317.411	1.668	10	0		DDAEHL
CCOCCS(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-]	ZINC000148551569	186044918	/nfs/dbraw/zinc/04/49/18/186044918.db2.gz	TYLQWCQCAQJIAX-UHFFFAOYSA-N	-2	3	303.336	1.172	10	0		DDAEHL
CN(C1CCCCC1)S(=O)(=O)[N-]c1ncccc1C(=O)[O-]	ZINC000110992191	194379041	/nfs/dbraw/zinc/37/90/41/194379041.db2.gz	AXKQUVYVUKVDCE-UHFFFAOYSA-N	-2	3	313.379	1.701	10	0		DDAEHL
Cc1cnccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000111043317	194386210	/nfs/dbraw/zinc/38/62/10/194386210.db2.gz	WFHNWMRHQPQAIE-UHFFFAOYSA-N	-2	3	308.315	1.595	10	0		DDAEHL
O=C([O-])CS(=O)(=O)[N-]c1c(F)c(F)c(F)c(F)c1F	ZINC000115285299	407663062	/nfs/dbraw/zinc/66/30/62/407663062.db2.gz	KWKITSQFEGIMSZ-UHFFFAOYSA-N	-2	3	305.180	1.208	10	0		DDAEHL
CCC[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000087501187	185227115	/nfs/dbraw/zinc/22/71/15/185227115.db2.gz	QAKMHPRLRSOURZ-MRVPVSSYSA-N	-2	3	306.771	1.514	10	0		DDAEHL
COc1cccc(C(=O)N(CC(=O)[O-])CC(F)(F)F)c1[O-]	ZINC000092435322	185317968	/nfs/dbraw/zinc/31/79/68/185317968.db2.gz	HPWPXBCILFXIHA-UHFFFAOYSA-N	-2	3	307.224	1.490	10	0		DDAEHL
O=C([O-])CS(=O)(=O)[N-]c1ccc(Br)c(F)c1	ZINC000083826378	192384916	/nfs/dbraw/zinc/38/49/16/192384916.db2.gz	IKQLZEHJMRGRIO-UHFFFAOYSA-N	-2	3	312.116	1.415	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000079559894	191950877	/nfs/dbraw/zinc/95/08/77/191950877.db2.gz	PQJZYBLHSUMRDR-VLEAKVRGSA-N	-2	3	314.363	1.069	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C2(CO)CCCC2)c(F)c1	ZINC000092114681	193162191	/nfs/dbraw/zinc/16/21/91/193162191.db2.gz	MYSZSWKBRVSGNP-UHFFFAOYSA-N	-2	3	317.338	1.107	10	0		DDAEHL
CCCn1cc(S(=O)(=O)[N-][C@](C)(CC)C(=O)[O-])nc1C	ZINC000094221058	193350985	/nfs/dbraw/zinc/35/09/85/193350985.db2.gz	CHYPXGBZANVVQF-GFCCVEGCSA-N	-2	3	303.384	1.133	10	0		DDAEHL
CCCn1cc(S(=O)(=O)[N-]C(CC)(CC)C(=O)[O-])nc1C	ZINC000094240617	193354768	/nfs/dbraw/zinc/35/47/68/193354768.db2.gz	NRQUPYQJAJBGCW-UHFFFAOYSA-N	-2	3	317.411	1.523	10	0		DDAEHL
O=C([O-])COCc1nc(=O)c2c3c(sc2[n-]1)CCCCC3	ZINC000041074102	183163331	/nfs/dbraw/zinc/16/33/31/183163331.db2.gz	GGROHTULWYVKDG-UHFFFAOYSA-N	-2	3	308.359	1.855	10	0		DDAEHL
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000037374611	406987319	/nfs/dbraw/zinc/98/73/19/406987319.db2.gz	HQYYSXOBQKWRRF-HQJQHLMTSA-N	-2	3	307.318	1.742	10	0		DDAEHL
Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000088188857	185241233	/nfs/dbraw/zinc/24/12/33/185241233.db2.gz	PEIAQLIEAXPNCX-UHFFFAOYSA-N	-2	3	315.738	1.871	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])CC(C)C)c1	ZINC000092890242	185348411	/nfs/dbraw/zinc/34/84/11/185348411.db2.gz	RAYCIVKWJLVLBG-LLVKDONJSA-N	-2	3	317.411	1.318	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1nccs1	ZINC000080265246	192019202	/nfs/dbraw/zinc/01/92/02/192019202.db2.gz	XYXKVZGUOGXHKW-LURJTMIESA-N	-2	3	302.333	1.474	10	0		DDAEHL
COc1cccc(C(=O)Nc2nc(CC(=O)[O-])cs2)c1[O-]	ZINC000020552807	182230868	/nfs/dbraw/zinc/23/08/68/182230868.db2.gz	QEQXLKIRTIAKIQ-UHFFFAOYSA-N	-2	3	308.315	1.737	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)nc1C	ZINC000070556169	406820212	/nfs/dbraw/zinc/82/02/12/406820212.db2.gz	YAVNJZVQZWIPIL-WDEREUQCSA-N	-2	3	315.395	1.133	10	0		DDAEHL
Cc1nc(C(=O)[N-]c2nc3ccc(C(=O)[O-])cc3s2)no1	ZINC000087848443	185233415	/nfs/dbraw/zinc/23/34/15/185233415.db2.gz	NKKDKINFYOFJTG-UHFFFAOYSA-N	-2	3	304.287	1.938	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]Cc2ccncc2)s1	ZINC000020545513	182229550	/nfs/dbraw/zinc/22/95/50/182229550.db2.gz	QMXAVVXBVXPICR-UHFFFAOYSA-N	-2	3	312.372	1.249	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCCC[C@@H]1C	ZINC000041038295	183158644	/nfs/dbraw/zinc/15/86/44/183158644.db2.gz	YQHGXIBLAMVPIR-SDBXPKJASA-N	-2	3	316.379	1.603	10	0		DDAEHL
C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])C1	ZINC000110991961	194379529	/nfs/dbraw/zinc/37/95/29/194379529.db2.gz	JUQFFLMKTKGSOY-UWVGGRQHSA-N	-2	3	313.379	1.414	10	0		DDAEHL
CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000233852222	407708575	/nfs/dbraw/zinc/70/85/75/407708575.db2.gz	UTRWBNALKJLTGQ-BDAKNGLRSA-N	-2	3	319.408	1.060	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H](C)CCC(=O)[O-]	ZINC000079062280	185152179	/nfs/dbraw/zinc/15/21/79/185152179.db2.gz	MLQCDQWDFIXNRJ-MRVPVSSYSA-N	-2	3	304.368	1.461	10	0		DDAEHL
CCC[C@@H](CC[N-]S(=O)(=O)c1c[nH]cn1)CCC(=O)[O-]	ZINC000079230140	185162002	/nfs/dbraw/zinc/16/20/02/185162002.db2.gz	UXKKEOIAYIAETL-SNVBAGLBSA-N	-2	3	303.384	1.359	10	0		DDAEHL
COc1ccc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c1	ZINC000094218491	193349965	/nfs/dbraw/zinc/34/99/65/193349965.db2.gz	XDZRZNGJYYJLGI-NSHDSACASA-N	-2	3	307.224	1.536	10	0		DDAEHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCSC1	ZINC000043511375	183369331	/nfs/dbraw/zinc/36/93/31/183369331.db2.gz	NNCJHCNSNDAYSL-LLVKDONJSA-N	-2	3	323.342	1.203	10	0		DDAEHL
C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)C1	ZINC000110935247	194371448	/nfs/dbraw/zinc/37/14/48/194371448.db2.gz	ZWVDMOOSSZYHIF-AOOOYVTPSA-N	-2	3	313.379	1.414	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCC2)nc1C	ZINC000084146901	407083792	/nfs/dbraw/zinc/08/37/92/407083792.db2.gz	PQMLPUDZZBVSJX-UHFFFAOYSA-N	-2	3	315.395	1.277	10	0		DDAEHL
O=C([O-])CCCS(=O)(=O)[N-]c1ncccc1Br	ZINC000088446900	185251323	/nfs/dbraw/zinc/25/13/23/185251323.db2.gz	DNZIRENPZJGOCX-UHFFFAOYSA-N	-2	3	323.168	1.451	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCCC[C@@H]2C)c[nH]1	ZINC000070418831	190888399	/nfs/dbraw/zinc/88/83/99/190888399.db2.gz	JFGADFRMFIJXNL-QPUJVOFHSA-N	-2	3	301.368	1.030	10	0		DDAEHL
Cc1nc(N)[n-]c(=O)c1CCCCc1ccc(C(=O)[O-])cc1	ZINC000004771623	181150729	/nfs/dbraw/zinc/15/07/29/181150729.db2.gz	PRQJRHFDAXKORS-UHFFFAOYSA-N	-2	3	301.346	1.924	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cn1)c1nccs1	ZINC000080265242	192019481	/nfs/dbraw/zinc/01/94/81/192019481.db2.gz	RGOLWXNCWLCBHR-SSDOTTSWSA-N	-2	3	313.360	1.276	10	0		DDAEHL
C[C@@]([N-]S(=O)(=O)c1ccc(F)cc1)(C(=O)[O-])C(F)(F)F	ZINC000094221253	193350714	/nfs/dbraw/zinc/35/07/14/193350714.db2.gz	QQYASENIWMYOCA-SECBINFHSA-N	-2	3	315.244	1.510	10	0		DDAEHL
O=C([O-])c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O	ZINC000021003578	182258982	/nfs/dbraw/zinc/25/89/82/182258982.db2.gz	VYNYLBNAGACMGF-UHFFFAOYSA-N	-2	3	310.265	1.521	10	0		DDAEHL
C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000062186017	184216400	/nfs/dbraw/zinc/21/64/00/184216400.db2.gz	ZWXZWDQXGXSODA-VIFPVBQESA-N	-2	3	309.347	1.017	10	0		DDAEHL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]c1ncccc1Br	ZINC000083891673	192389627	/nfs/dbraw/zinc/38/96/27/192389627.db2.gz	ULYXRQMQACWJNU-RXMQYKEDSA-N	-2	3	309.141	1.059	10	0		DDAEHL
N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)s1	ZINC000230324635	354326803	/nfs/dbraw/zinc/32/68/03/354326803.db2.gz	IQBGKSFIWMKGTM-BDAKNGLRSA-N	-2	3	314.388	1.541	10	0		DDAEHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccco1	ZINC000004716034	181141974	/nfs/dbraw/zinc/14/19/74/181141974.db2.gz	MODBGVLCLVZHQF-NSHDSACASA-N	-2	3	313.306	1.913	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1CCCO1	ZINC000092114168	193162303	/nfs/dbraw/zinc/16/23/03/193162303.db2.gz	PHLIFFJXIWXGJP-KCJUWKMLSA-N	-2	3	317.338	1.370	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c[nH]1	ZINC000094744727	193394491	/nfs/dbraw/zinc/39/44/91/193394491.db2.gz	IBHXCNAZXFEVEW-ZJUUUORDSA-N	-2	3	315.395	1.284	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1	ZINC000070556023	406819099	/nfs/dbraw/zinc/81/90/99/406819099.db2.gz	LAALIPOXIUNJRD-GZMMTYOYSA-N	-2	3	319.329	1.887	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCCC1	ZINC000052339321	407150296	/nfs/dbraw/zinc/15/02/96/407150296.db2.gz	FFNXQIRIHQNYIQ-MRVPVSSYSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C(=O)[O-])c[nH]1	ZINC000087623172	185229156	/nfs/dbraw/zinc/22/91/56/185229156.db2.gz	GJZIRDYEINOGQQ-UHFFFAOYSA-N	-2	3	303.384	1.140	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)nc1C	ZINC000070556172	406820544	/nfs/dbraw/zinc/82/05/44/406820544.db2.gz	YAVNJZVQZWIPIL-MNOVXSKESA-N	-2	3	315.395	1.133	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCC1	ZINC000134713113	484033256	/nfs/dbraw/zinc/03/32/56/484033256.db2.gz	DZVOCQNSAVAZJQ-ZETCQYMHSA-N	-2	3	304.393	1.698	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@@H](C)C2)c1	ZINC000092890103	185348011	/nfs/dbraw/zinc/34/80/11/185348011.db2.gz	WHINHJGOWRSHED-MFKMUULPSA-N	-2	3	315.395	1.215	10	0		DDAEHL
O=C([O-])[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccs1	ZINC000089381447	192776762	/nfs/dbraw/zinc/77/67/62/192776762.db2.gz	FUHKJKPVJIXBPD-UWVGGRQHSA-N	-2	3	303.405	1.917	10	0		DDAEHL
O=P([O-])([O-])C(Nc1nc2ccccc2s1)P(=O)([O-])[O-]	ZINC000006584371	181356967	/nfs/dbraw/zinc/35/69/67/181356967.db2.gz	WDRFJYZCRXWXDE-UHFFFAOYSA-N	-4	3	324.191	1.347	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-]CC1CCC(C(=O)[O-])CC1	ZINC000093430033	193249350	/nfs/dbraw/zinc/24/93/50/193249350.db2.gz	VRVHPWOPHPIUIZ-UHFFFAOYSA-N	-2	3	316.379	1.461	10	0		DDAEHL
Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])O2)c1	ZINC000094558687	193379999	/nfs/dbraw/zinc/37/99/99/193379999.db2.gz	WQRKLVWQUHLWCI-MWLCHTKSSA-N	-2	3	317.338	1.045	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCCC[C@H]1C(=O)[O-]	ZINC000094744708	193394795	/nfs/dbraw/zinc/39/47/95/193394795.db2.gz	SRGWMEUWFAFDOR-GHMZBOCLSA-N	-2	3	316.379	1.603	10	0		DDAEHL
CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000020007933	182177036	/nfs/dbraw/zinc/17/70/36/182177036.db2.gz	NQZWNUVQPVNPRV-SNVBAGLBSA-N	-2	3	318.420	1.209	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCO2)s1	ZINC000042818174	183311949	/nfs/dbraw/zinc/31/19/49/183311949.db2.gz	GEYPXCMYPNXMCZ-SECBINFHSA-N	-2	3	319.404	1.223	10	0		DDAEHL
O=C([O-])CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F	ZINC000062657209	184246839	/nfs/dbraw/zinc/24/68/39/184246839.db2.gz	JYNPHJFGYUINGP-UHFFFAOYSA-N	-2	3	301.217	1.671	10	0		DDAEHL
NN=c1nc(Sc2nccc(=O)[n-]2)c(Br)c[n-]1	ZINC000087889226	185234639	/nfs/dbraw/zinc/23/46/39/185234639.db2.gz	OWCDRABNIWVASA-UHFFFAOYSA-N	-2	3	315.156	1.172	10	0		DDAEHL
O=C([O-])CN(CC(F)(F)F)C(=O)c1ccc2n[n-]nc2c1	ZINC000092435552	185318022	/nfs/dbraw/zinc/31/80/22/185318022.db2.gz	JNYFAXRLQJIKNJ-UHFFFAOYSA-N	-2	3	302.212	1.047	10	0		DDAEHL
CCCN(CCC)S(=O)(=O)[N-]c1cccc(C(=O)[O-])n1	ZINC000110935363	194371380	/nfs/dbraw/zinc/37/13/80/194371380.db2.gz	IWCKPPNCCVHZPE-UHFFFAOYSA-N	-2	3	301.368	1.559	10	0		DDAEHL
CC(C)CC(C)(C)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000391103164	418756515	/nfs/dbraw/zinc/75/65/15/418756515.db2.gz	BDMDPIJZDYYGTP-UHFFFAOYSA-N	-2	3	303.384	1.459	10	0		DDAEHL
CCn1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cn1	ZINC000443441282	230011432	/nfs/dbraw/zinc/01/14/32/230011432.db2.gz	KLZAEXBPOGKHII-XQRVVYSFSA-N	-2	3	302.334	1.895	10	0		DDAEHL
Cc1nc(C=Cc2cnc3ccccn23)[n-]c(=O)c1CCC(=O)[O-]	ZINC000193403236	697664531	/nfs/dbraw/zinc/66/45/31/697664531.db2.gz	IHYCMMIMVVGXKS-FNORWQNLSA-N	-2	3	324.340	1.914	10	0		DDAEHL
CCc1cc(=O)[n-]c(-c2ccc(N(C)CCC(=O)[O-])nc2)n1	ZINC000263438280	698506963	/nfs/dbraw/zinc/50/69/63/698506963.db2.gz	WBMJUAAYYHNNRZ-UHFFFAOYSA-N	-2	3	302.334	1.718	10	0		DDAEHL
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1	ZINC000070555949	190905677	/nfs/dbraw/zinc/90/56/77/190905677.db2.gz	DNQIEEQXRNWQKU-PSASIEDQSA-N	-2	3	319.329	1.887	10	0		DDAEHL
O=C([O-])CSc1nnc(NC(=O)c2ccc([O-])cc2)s1	ZINC000041018009	183157063	/nfs/dbraw/zinc/15/70/63/183157063.db2.gz	ZHNSLOVYMWYFPZ-UHFFFAOYSA-N	-2	3	311.344	1.673	10	0		DDAEHL
CN(CCC(=O)[O-])S(=O)(=O)[N-]c1ccccc1OC(F)F	ZINC000088767576	185264705	/nfs/dbraw/zinc/26/47/05/185264705.db2.gz	UACLYGMRZVFIOO-UHFFFAOYSA-N	-2	3	324.305	1.351	10	0		DDAEHL
CNCc1nc([O-])c(-c2ccccc2Br)c(=O)[n-]1	ZINC000093176956	193212204	/nfs/dbraw/zinc/21/22/04/193212204.db2.gz	IVBAZOBDQQALOU-UHFFFAOYSA-N	-2	3	310.151	1.624	10	0		DDAEHL
COC[C@@H](C)S(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-]	ZINC000275015555	212075327	/nfs/dbraw/zinc/07/53/27/212075327.db2.gz	CLTMNOQJDGZNGQ-MRVPVSSYSA-N	-2	3	303.336	1.170	10	0		DDAEHL
C[C@@](NC(=O)c1ccc2n[n-]nc2c1)(C(=O)[O-])C(F)(F)F	ZINC000094217701	193349284	/nfs/dbraw/zinc/34/92/84/193349284.db2.gz	PIEAAOBGABEWSP-SNVBAGLBSA-N	-2	3	302.212	1.093	10	0		DDAEHL
CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732220	337367585	/nfs/dbraw/zinc/36/75/85/337367585.db2.gz	XSYPDMUAFVNPQB-UHFFFAOYSA-N	-2	3	303.384	1.601	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-]CC[C@@H](CCC(=O)[O-])C(C)C)c[nH]1	ZINC000079250877	185162341	/nfs/dbraw/zinc/16/23/41/185162341.db2.gz	VCQLHHFBLBYMAE-LLVKDONJSA-N	-2	3	317.411	1.524	10	0		DDAEHL
CCC[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-]	ZINC000087501085	185227260	/nfs/dbraw/zinc/22/72/60/185227260.db2.gz	BJUQRGAQGORFIG-MRVPVSSYSA-N	-2	3	307.318	1.744	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(=O)[O-])c1	ZINC000092890246	185348198	/nfs/dbraw/zinc/34/81/98/185348198.db2.gz	BRJTWEKPLAZADA-QWRGUYRKSA-N	-2	3	315.395	1.072	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cscn2)c(F)c1	ZINC000092114749	193162583	/nfs/dbraw/zinc/16/25/83/193162583.db2.gz	ZNIMYIRAITXWMB-UHFFFAOYSA-N	-2	3	316.335	1.459	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)[C@@H]1CCCO1	ZINC000035216465	406969878	/nfs/dbraw/zinc/96/98/78/406969878.db2.gz	PDKQBQJKQHJYPX-KWQFWETISA-N	-2	3	317.338	1.370	10	0		DDAEHL
CCC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000087502928	185227174	/nfs/dbraw/zinc/22/71/74/185227174.db2.gz	HWWGNGLCTZDLKK-QMMMGPOBSA-N	-2	3	307.318	1.744	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)c1	ZINC000092890101	185348101	/nfs/dbraw/zinc/34/81/01/185348101.db2.gz	WHINHJGOWRSHED-GWCFXTLKSA-N	-2	3	315.395	1.215	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nccs1	ZINC000080265288	192019657	/nfs/dbraw/zinc/01/96/57/192019657.db2.gz	DMSCDDQUNKNUCW-ZCFIWIBFSA-N	-2	3	318.401	1.942	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@H]2CCCCC[C@@H]2C(=O)[O-])c1	ZINC000094744655	193395021	/nfs/dbraw/zinc/39/50/21/193395021.db2.gz	NDOWIZQQOCSLSQ-QWRGUYRKSA-N	-2	3	315.395	1.215	10	0		DDAEHL
Cc1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1	ZINC000040997953	183155051	/nfs/dbraw/zinc/15/50/51/183155051.db2.gz	MZYGHVHZGXIARU-UHFFFAOYSA-N	-2	3	318.401	1.690	10	0		DDAEHL
O=C([O-])c1ccc(CS(=O)(=O)[N-]Cc2nccs2)cc1	ZINC000041013040	183156872	/nfs/dbraw/zinc/15/68/72/183156872.db2.gz	QIXNDMSGCWOYLG-UHFFFAOYSA-N	-2	3	312.372	1.461	10	0		DDAEHL
C[C@@H]1CCc2c(sc3[n-]c(COCC(=O)[O-])nc(=O)c23)C1	ZINC000041074096	183162944	/nfs/dbraw/zinc/16/29/44/183162944.db2.gz	QLWAGWCJSYRXAR-SSDOTTSWSA-N	-2	3	308.359	1.711	10	0		DDAEHL
CCOC(=O)CS(=O)(=O)[N-]c1cc(C)c(C)c(C(=O)[O-])c1	ZINC000062348944	184231682	/nfs/dbraw/zinc/23/16/82/184231682.db2.gz	OCASHEWVXMCJAI-UHFFFAOYSA-N	-2	3	315.347	1.306	10	0		DDAEHL
O=C([O-])/C=C/c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1	ZINC000063156919	184275111	/nfs/dbraw/zinc/27/51/11/184275111.db2.gz	VLCZIFRTPDTRKT-YBJDMEARSA-N	-2	3	311.359	1.705	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)[C@H]1CCCO1	ZINC000035216469	406969968	/nfs/dbraw/zinc/96/99/68/406969968.db2.gz	PDKQBQJKQHJYPX-GZMMTYOYSA-N	-2	3	317.338	1.370	10	0		DDAEHL
C[C@H](CC[N-]S(=O)(=O)c1cccnc1Cl)CCC(=O)[O-]	ZINC000079063834	185152171	/nfs/dbraw/zinc/15/21/71/185152171.db2.gz	LQBZSLTVIBIOAA-VIFPVBQESA-N	-2	3	320.798	1.904	10	0		DDAEHL
C[N-]S(=O)(=O)c1ccc(CNc2ccc(C(=O)[O-])cc2)o1	ZINC000088540049	185255798	/nfs/dbraw/zinc/25/57/98/185255798.db2.gz	OMBXMFDJKLRBIX-UHFFFAOYSA-N	-2	3	310.331	1.498	10	0		DDAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCC1CCCC1	ZINC000224647684	354316774	/nfs/dbraw/zinc/31/67/74/354316774.db2.gz	UWEYUOQXIUVTPI-UHFFFAOYSA-N	-2	3	301.368	1.357	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@@H]1CCCO1	ZINC000092114167	193162087	/nfs/dbraw/zinc/16/20/87/193162087.db2.gz	PHLIFFJXIWXGJP-KWQFWETISA-N	-2	3	317.338	1.370	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]C2CCC(O)CC2)c1	ZINC000019230529	182108810	/nfs/dbraw/zinc/10/88/10/182108810.db2.gz	QHQLQXBKLQGIQA-UHFFFAOYSA-N	-2	3	305.377	1.028	10	0		DDAEHL
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000037326233	182882930	/nfs/dbraw/zinc/88/29/30/182882930.db2.gz	MYVMWLHEQMOYCT-HQJQHLMTSA-N	-2	3	307.318	1.742	10	0		DDAEHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCSC1	ZINC000043511425	183369679	/nfs/dbraw/zinc/36/96/79/183369679.db2.gz	HQSAUEVMVSWUER-NSHDSACASA-N	-2	3	323.342	1.203	10	0		DDAEHL
CO[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114654	193162214	/nfs/dbraw/zinc/16/22/14/193162214.db2.gz	MKCFMAAHOWJTOJ-MNOVXSKESA-N	-2	3	317.338	1.370	10	0		DDAEHL
O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000020565901	182233604	/nfs/dbraw/zinc/23/36/04/182233604.db2.gz	IPPLQZZFVDNUCO-JTQLQIEISA-N	-2	3	309.709	1.194	10	0		DDAEHL
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000020565901	182233605	/nfs/dbraw/zinc/23/36/05/182233605.db2.gz	IPPLQZZFVDNUCO-JTQLQIEISA-N	-2	3	309.709	1.194	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(O)cc2)o1	ZINC000040736554	183126191	/nfs/dbraw/zinc/12/61/91/183126191.db2.gz	DXIOSHBZIUOFAO-UHFFFAOYSA-N	-2	3	311.315	1.204	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCCC[C@@H]1C(=O)[O-]	ZINC000094744707	193394803	/nfs/dbraw/zinc/39/48/03/193394803.db2.gz	SRGWMEUWFAFDOR-QWRGUYRKSA-N	-2	3	316.379	1.603	10	0		DDAEHL
C[N-]S(=O)(=O)c1c(Cl)cc(/C=C/C(=O)[O-])cc1Cl	ZINC000049595058	183745255	/nfs/dbraw/zinc/74/52/55/183745255.db2.gz	FDQIWAMQRNUYBO-NSCUHMNNSA-N	-2	3	310.158	1.999	10	0		DDAEHL
O=C([O-])C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1	ZINC000192893829	222137855	/nfs/dbraw/zinc/13/78/55/222137855.db2.gz	XQHPCOPBBMERLV-ZDUSSCGKSA-N	-2	3	310.313	1.904	10	0		DDAEHL
CC(C)N(CC(=O)[O-])CC(=O)/N=c1/cc[n-]n1[C@H](C)C1CC1	ZINC000263572262	279405205	/nfs/dbraw/zinc/40/52/05/279405205.db2.gz	KSCXSFPTMCQXOR-XSKXUOKSSA-N	-2	3	308.382	1.010	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000080147505	192005933	/nfs/dbraw/zinc/00/59/33/192005933.db2.gz	PVIGYUVFLXNYRB-QXFUBDJGSA-N	-2	3	301.389	1.913	10	0		DDAEHL
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114561	193162666	/nfs/dbraw/zinc/16/26/66/193162666.db2.gz	NCHCAEWQCASJMH-JTQLQIEISA-N	-2	3	319.354	1.209	10	0		DDAEHL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)F	ZINC000019994950	182175243	/nfs/dbraw/zinc/17/52/43/182175243.db2.gz	VNDCWNQCUSGCPI-UHFFFAOYSA-N	-2	3	313.253	1.234	10	0		DDAEHL
CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000068592228	406653173	/nfs/dbraw/zinc/65/31/73/406653173.db2.gz	JGHYCNJODLWUHG-UHFFFAOYSA-N	-2	3	314.182	1.507	10	0		DDAEHL
O=C([O-])c1ccc2c(c1)[n-]c(=S)n(CCN1CCCC1)c2=O	ZINC000070460431	406817930	/nfs/dbraw/zinc/81/79/30/406817930.db2.gz	CQAOMOFZJLUISW-UHFFFAOYSA-N	-2	3	319.386	1.479	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nccs1	ZINC000080265316	192019574	/nfs/dbraw/zinc/01/95/74/192019574.db2.gz	ATXFKMRYCZQMJG-LURJTMIESA-N	-2	3	318.401	1.942	10	0		DDAEHL
C[C@@]1(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)CCCO1	ZINC000094796822	193399371	/nfs/dbraw/zinc/39/93/71/193399371.db2.gz	DMFRGUROBMQTTI-LBPRGKRZSA-N	-2	3	319.404	1.223	10	0		DDAEHL
CC(C)C[C@H](CO)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000040777540	183132588	/nfs/dbraw/zinc/13/25/88/183132588.db2.gz	ZNDAZPTTWKRWNA-SECBINFHSA-N	-2	3	321.420	1.061	10	0		DDAEHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCSC1	ZINC000043511376	183369670	/nfs/dbraw/zinc/36/96/70/183369670.db2.gz	NNCJHCNSNDAYSL-NSHDSACASA-N	-2	3	323.342	1.203	10	0		DDAEHL
COCCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000071234423	406834272	/nfs/dbraw/zinc/83/42/72/406834272.db2.gz	RUULWWWTGZFUSP-UHFFFAOYSA-N	-2	3	307.755	1.816	10	0		DDAEHL
CCC[C@H](NCC(=O)/N=c1/cc[n-]n1[C@@H](C)C1CC1)C(=O)[O-]	ZINC000262274824	283927616	/nfs/dbraw/zinc/92/76/16/283927616.db2.gz	JGNQWNPEJOYWKR-IIAHFZBSSA-N	-2	3	308.382	1.057	10	0		DDAEHL
COc1cccc(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c1[O-]	ZINC000094217542	193349653	/nfs/dbraw/zinc/34/96/53/193349653.db2.gz	LNBFQLOWMLFXRN-NSHDSACASA-N	-2	3	307.224	1.536	10	0		DDAEHL
CC[C@](C)([N-]S(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC000094220855	193350679	/nfs/dbraw/zinc/35/06/79/193350679.db2.gz	UFZPFBYTVKNQJA-NSHDSACASA-N	-2	3	321.376	1.066	10	0		DDAEHL
O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cncc(F)c2)C1	ZINC000070556226	406819449	/nfs/dbraw/zinc/81/94/49/406819449.db2.gz	OLQKUUCOHAZOIL-PSASIEDQSA-N	-2	3	302.327	1.142	10	0		DDAEHL
Cc1nc(C=Cc2cnn3ccccc23)[n-]c(=O)c1CCC(=O)[O-]	ZINC000193403893	408715595	/nfs/dbraw/zinc/71/55/95/408715595.db2.gz	BSXNQSSSMXOOJA-FNORWQNLSA-N	-2	3	324.340	1.914	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCCC[C@H]2C)c1	ZINC000092890107	185347988	/nfs/dbraw/zinc/34/79/88/185347988.db2.gz	QLDSLUXACVJSFW-MFKMUULPSA-N	-2	3	315.395	1.215	10	0		DDAEHL
Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000094558688	193380227	/nfs/dbraw/zinc/38/02/27/193380227.db2.gz	WQRKLVWQUHLWCI-ONGXEEELSA-N	-2	3	317.338	1.045	10	0		DDAEHL
O=C([O-])c1cccc(Br)c1NC(=O)c1nc[n-]n1	ZINC000110986840	194377853	/nfs/dbraw/zinc/37/78/53/194377853.db2.gz	BEVPIAOLXJBPLN-UHFFFAOYSA-N	-2	3	311.095	1.518	10	0		DDAEHL
C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000062186020	184215828	/nfs/dbraw/zinc/21/58/28/184215828.db2.gz	ZWXZWDQXGXSODA-SECBINFHSA-N	-2	3	309.347	1.017	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cncc(F)c2)C1	ZINC000070556225	406820549	/nfs/dbraw/zinc/82/05/49/406820549.db2.gz	OLQKUUCOHAZOIL-WPRPVWTQSA-N	-2	3	302.327	1.142	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-]CC[C@H](C)CCC(=O)[O-])nc1C	ZINC000079062374	185151830	/nfs/dbraw/zinc/15/18/30/185151830.db2.gz	ZEFYKPIQYULONI-SNVBAGLBSA-N	-2	3	317.411	1.381	10	0		DDAEHL
O=C(c1c[nH]nc1-c1cc(Cl)c([O-])cc1[O-])N1CCOCC1	ZINC000143330296	354149720	/nfs/dbraw/zinc/14/97/20/354149720.db2.gz	KTGOJEFFQDHZMA-UHFFFAOYSA-N	-2	3	323.736	1.614	10	0		DDAEHL
C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000235327789	354332773	/nfs/dbraw/zinc/33/27/73/354332773.db2.gz	SQGZAZCRXUVJJK-RKDXNWHRSA-N	-2	3	301.368	1.355	10	0		DDAEHL
COCCS(=O)(=O)[N-]c1cc(OC)c(C(=O)[O-])cc1Cl	ZINC000042808477	183311143	/nfs/dbraw/zinc/31/11/43/183311143.db2.gz	IEODOPKAAGSERD-UHFFFAOYSA-N	-2	3	323.754	1.435	10	0		DDAEHL
CCC[C@@H](NCC(=O)/N=c1/cc[n-]n1[C@@H](C)C1CC1)C(=O)[O-]	ZINC000262274825	283559657	/nfs/dbraw/zinc/55/96/57/283559657.db2.gz	JGNQWNPEJOYWKR-ISFXLJJNSA-N	-2	3	308.382	1.057	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2C(=O)[O-])cn1C	ZINC000094744888	193394574	/nfs/dbraw/zinc/39/45/74/193394574.db2.gz	MDFQWIFVQURMFR-GHMZBOCLSA-N	-2	3	315.395	1.040	10	0		DDAEHL
CC1([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)CCCC1	ZINC000042186352	183238801	/nfs/dbraw/zinc/23/88/01/183238801.db2.gz	HGLHQWUXBAABPX-UHFFFAOYSA-N	-2	3	303.405	1.986	10	0		DDAEHL
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])C1	ZINC000110991965	194378583	/nfs/dbraw/zinc/37/85/83/194378583.db2.gz	JUQFFLMKTKGSOY-NXEZZACHSA-N	-2	3	313.379	1.414	10	0		DDAEHL
CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000037374617	406987430	/nfs/dbraw/zinc/98/74/30/406987430.db2.gz	HQYYSXOBQKWRRF-WRWORJQWSA-N	-2	3	307.318	1.742	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000092890249	185348394	/nfs/dbraw/zinc/34/83/94/185348394.db2.gz	BRJTWEKPLAZADA-GHMZBOCLSA-N	-2	3	315.395	1.072	10	0		DDAEHL
C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000062185653	184216218	/nfs/dbraw/zinc/21/62/18/184216218.db2.gz	BQWNNZLHECMXJU-SNVBAGLBSA-N	-2	3	309.343	1.887	10	0		DDAEHL
CCOCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000063153648	184274442	/nfs/dbraw/zinc/27/44/42/184274442.db2.gz	UNJCUCYCBKTVBD-UHFFFAOYSA-N	-2	3	307.755	1.816	10	0		DDAEHL
O=C([O-])/C=C/c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000063155487	184274619	/nfs/dbraw/zinc/27/46/19/184274619.db2.gz	NDWQLMFVETVMBL-OQHXTRMZSA-N	-2	3	311.359	1.705	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCO1)c1nc(C(=O)[O-])cs1	ZINC000090940908	484012067	/nfs/dbraw/zinc/01/20/67/484012067.db2.gz	WYUDGAMPCBLBHN-HTQZYQBOSA-N	-2	3	320.392	1.001	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)c1	ZINC000092890102	185348050	/nfs/dbraw/zinc/34/80/50/185348050.db2.gz	WHINHJGOWRSHED-ZWNOBZJWSA-N	-2	3	315.395	1.215	10	0		DDAEHL
O=C([O-])CCS(=O)(=O)[N-]c1ncccc1Br	ZINC000083891678	192389540	/nfs/dbraw/zinc/38/95/40/192389540.db2.gz	VTHDAWVTMZTJDW-UHFFFAOYSA-N	-2	3	309.141	1.061	10	0		DDAEHL
O=c1cc([O-])nc(-c2cc3c(c(Br)c2)OCO3)[n-]1	ZINC000110618891	194342869	/nfs/dbraw/zinc/34/28/69/194342869.db2.gz	XCVOAAHZJFITKN-UHFFFAOYSA-N	-2	3	311.091	1.634	10	0		DDAEHL
Cc1nc(C=Cc2cccc(O)c2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000193404573	408715525	/nfs/dbraw/zinc/71/55/25/408715525.db2.gz	OZMFYEBJWSBYKV-FNORWQNLSA-N	-2	3	300.314	1.972	10	0		DDAEHL
CC(C)C[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)CC(=O)[O-]	ZINC000088273951	185244347	/nfs/dbraw/zinc/24/43/47/185244347.db2.gz	RUUVXXJSOPEJOA-SNVBAGLBSA-N	-2	3	318.370	1.636	10	0		DDAEHL
CC[C@H](CC[N-]S(=O)(=O)c1cn(CC)cn1)CCC(=O)[O-]	ZINC000092890203	185348178	/nfs/dbraw/zinc/34/81/78/185348178.db2.gz	QDXWHIKIRRLKDS-NSHDSACASA-N	-2	3	317.411	1.462	10	0		DDAEHL
C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000235627219	354332947	/nfs/dbraw/zinc/33/29/47/354332947.db2.gz	SQGZAZCRXUVJJK-IUCAKERBSA-N	-2	3	301.368	1.355	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](O)C2)c(F)c1	ZINC000092114376	193162690	/nfs/dbraw/zinc/16/26/90/193162690.db2.gz	KFEMKTWTAOJPRV-UWVGGRQHSA-N	-2	3	317.338	1.106	10	0		DDAEHL
CCCCOc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1	ZINC000039291389	352298640	/nfs/dbraw/zinc/29/86/40/352298640.db2.gz	ALXDNQNBMITZNJ-UHFFFAOYSA-N	-2	3	312.333	1.796	10	0		DDAEHL
CCCCOc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1	ZINC000039291389	352298645	/nfs/dbraw/zinc/29/86/45/352298645.db2.gz	ALXDNQNBMITZNJ-UHFFFAOYSA-N	-2	3	312.333	1.796	10	0		DDAEHL
C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C	ZINC000252450334	354383379	/nfs/dbraw/zinc/38/33/79/354383379.db2.gz	JDIKEZWSHSUCNX-WEDXCCLWSA-N	-2	3	301.368	1.211	10	0		DDAEHL
O=C([O-])C1CCC(C[N-]S(=O)(=O)c2ccccc2F)CC1	ZINC000093430062	193249920	/nfs/dbraw/zinc/24/99/20/193249920.db2.gz	XUVTXMUAMNJAFL-UHFFFAOYSA-N	-2	3	315.366	1.995	10	0		DDAEHL
Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1	ZINC000061321446	184168238	/nfs/dbraw/zinc/16/82/38/184168238.db2.gz	YTCZWKMJUDKIIX-UHFFFAOYSA-N	-2	3	313.360	1.023	10	0		DDAEHL
CC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCCC1	ZINC000052339954	418479684	/nfs/dbraw/zinc/47/96/84/418479684.db2.gz	AUMAHRVBFWOJMP-LLVKDONJSA-N	-2	3	315.395	1.745	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c1	ZINC000085977067	484003714	/nfs/dbraw/zinc/00/37/14/484003714.db2.gz	FGDKDRBUHVQBIQ-SCZZXKLOSA-N	-2	3	319.404	1.276	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-]CC[C@H](C)CCC(=O)[O-])c[nH]1	ZINC000079062387	185151945	/nfs/dbraw/zinc/15/19/45/185151945.db2.gz	ZUMNSFBRPBJVFS-SECBINFHSA-N	-2	3	303.384	1.141	10	0		DDAEHL
O=c1[n-][nH]c(=O)c2c([N-]S(=O)(=O)c3cccs3)cccc12	ZINC000074859209	191374729	/nfs/dbraw/zinc/37/47/29/191374729.db2.gz	RYYVMNHCPWQSRD-UHFFFAOYSA-N	-2	3	323.355	1.491	10	0		DDAEHL
COc1ccc(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)c([O-])c1	ZINC000094217537	193349267	/nfs/dbraw/zinc/34/92/67/193349267.db2.gz	UHGQISTYUFUXDJ-LLVKDONJSA-N	-2	3	307.224	1.536	10	0		DDAEHL
O=C([O-])[C@@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1	ZINC000094744812	193394858	/nfs/dbraw/zinc/39/48/58/193394858.db2.gz	BXURECNAUAPWMS-VXGBXAGGSA-N	-2	3	316.354	1.533	10	0		DDAEHL
C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br	ZINC000068592219	406653895	/nfs/dbraw/zinc/65/38/95/406653895.db2.gz	PVLWXBORWJZEHY-UHFFFAOYSA-N	-2	3	300.155	1.117	10	0		DDAEHL
C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCCC[C@@H]1C(=O)[O-]	ZINC000158446881	526205916	/nfs/dbraw/zinc/20/59/16/526205916.db2.gz	AIDAHALFRSYDCE-MYCYYAIVSA-N	-2	3	320.393	1.154	10	0		DDAEHL
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000035219817	696128612	/nfs/dbraw/zinc/12/86/12/696128612.db2.gz	XSDXYLQYRAQFOO-APPZFPTMSA-N	-2	3	306.771	1.513	10	0		DDAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1CCCCCCC1	ZINC000037731759	696133492	/nfs/dbraw/zinc/13/34/92/696133492.db2.gz	LWAXUOYNIQZCQI-UHFFFAOYSA-N	-2	3	301.368	1.499	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]CC[C@H](C)CCC(=O)[O-])c1	ZINC000092890202	185348115	/nfs/dbraw/zinc/34/81/15/185348115.db2.gz	GBZRLPZPNBQKDM-SNVBAGLBSA-N	-2	3	303.384	1.072	10	0		DDAEHL
C[C@H](N)c1nc([O-])c(-c2cccc(Br)c2)c(=O)[n-]1	ZINC000093163812	193209707	/nfs/dbraw/zinc/20/97/07/193209707.db2.gz	OWOPIDXWJQWBLB-LURJTMIESA-N	-2	3	310.151	1.925	10	0		DDAEHL
O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000020565899	182233223	/nfs/dbraw/zinc/23/32/23/182233223.db2.gz	IPPLQZZFVDNUCO-SNVBAGLBSA-N	-2	3	309.709	1.194	10	0		DDAEHL
O=C([O-])[C@@H](Cc1cnc[nH]1)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000020565899	182233227	/nfs/dbraw/zinc/23/32/27/182233227.db2.gz	IPPLQZZFVDNUCO-SNVBAGLBSA-N	-2	3	309.709	1.194	10	0		DDAEHL
CCCCCC[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732215	696133396	/nfs/dbraw/zinc/13/33/96/696133396.db2.gz	YVXGWEIIJUMZOQ-VIFPVBQESA-N	-2	3	303.384	1.745	10	0		DDAEHL
CCCN(CC(=O)[O-])CC(=O)/N=c1/cc[n-]n1[C@H](C)C1CC1	ZINC000262402182	283111376	/nfs/dbraw/zinc/11/13/76/283111376.db2.gz	VJBZIWAKEMUSDA-XSKXUOKSSA-N	-2	3	308.382	1.011	10	0		DDAEHL
C[C@]([N-]c1nnnn1-c1ccccc1)(C(=O)[O-])C(F)(F)F	ZINC000094222189	193351008	/nfs/dbraw/zinc/35/10/08/193351008.db2.gz	BGHZZJLVZFATMX-JTQLQIEISA-N	-2	3	301.228	1.480	10	0		DDAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(Cl)s1	ZINC000070215329	406812784	/nfs/dbraw/zinc/81/27/84/406812784.db2.gz	MOGYXXNJBZIXEM-UHFFFAOYSA-N	-2	3	321.767	1.301	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)[O-])C1	ZINC000070555902	406818021	/nfs/dbraw/zinc/81/80/21/406818021.db2.gz	LIOCPXKZTDXIRY-ZJUUUORDSA-N	-2	3	302.352	1.213	10	0		DDAEHL
CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732192	337367495	/nfs/dbraw/zinc/36/74/95/337367495.db2.gz	HVKTWMBCKWUEHE-PSASIEDQSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CCC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000087502932	185227158	/nfs/dbraw/zinc/22/71/58/185227158.db2.gz	HWWGNGLCTZDLKK-MRVPVSSYSA-N	-2	3	307.318	1.744	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)C(C)(C)C(=O)[O-]	ZINC000087623249	185229365	/nfs/dbraw/zinc/22/93/65/185229365.db2.gz	VJESEZZDDXTFGE-UHFFFAOYSA-N	-2	3	304.368	1.459	10	0		DDAEHL
O=C(CSc1nncc(=O)[n-]1)Nc1cc(Cl)ccc1[O-]	ZINC000005237849	181219931	/nfs/dbraw/zinc/21/99/31/181219931.db2.gz	HNRQJUXTZWFVRB-UHFFFAOYSA-N	-2	3	312.738	1.255	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)c(F)c1	ZINC000092114673	193162454	/nfs/dbraw/zinc/16/24/54/193162454.db2.gz	JEEVJJCNBQMWJY-WDEREUQCSA-N	-2	3	317.338	1.106	10	0		DDAEHL
O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1nc[n-]n1	ZINC000093432254	193249898	/nfs/dbraw/zinc/24/98/98/193249898.db2.gz	NULXIKIQSXINEF-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
O=C([O-])[C@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1cncc(F)c1	ZINC000094744810	193394758	/nfs/dbraw/zinc/39/47/58/193394758.db2.gz	BXURECNAUAPWMS-NWDGAFQWSA-N	-2	3	316.354	1.533	10	0		DDAEHL
O=C([O-])COCc1nc(=O)c2c3c(sc2[n-]1)CSCC3	ZINC000042335395	183255026	/nfs/dbraw/zinc/25/50/26/183255026.db2.gz	RYHSQTNXWXICBI-UHFFFAOYSA-N	-2	3	312.372	1.375	10	0		DDAEHL
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)C1	ZINC000110935252	194370796	/nfs/dbraw/zinc/37/07/96/194370796.db2.gz	ZWVDMOOSSZYHIF-NXEZZACHSA-N	-2	3	313.379	1.414	10	0		DDAEHL
Cc1cc(=O)n(S(=O)(=O)c2ccc([O-])c3ncccc23)[n-]1	ZINC000584653189	337381191	/nfs/dbraw/zinc/38/11/91/337381191.db2.gz	UDKHWDCWVHOKTH-UHFFFAOYSA-N	-2	3	305.315	1.237	10	0		DDAEHL
Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)c([O-])c1	ZINC000262921354	698484345	/nfs/dbraw/zinc/48/43/45/698484345.db2.gz	KLADYAFPDNGRLH-CYBMUJFWSA-N	-2	3	307.346	1.558	10	0		DDAEHL
CC1(C)C(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1(C)C	ZINC000092816279	185344065	/nfs/dbraw/zinc/34/40/65/185344065.db2.gz	UMIZZTIDTZVQOK-UHFFFAOYSA-N	-2	3	301.364	1.938	10	0		DDAEHL
CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000035219820	182762330	/nfs/dbraw/zinc/76/23/30/182762330.db2.gz	XSDXYLQYRAQFOO-IONNQARKSA-N	-2	3	306.771	1.513	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1CCCO1	ZINC000035216557	406969775	/nfs/dbraw/zinc/96/97/75/406969775.db2.gz	XBBQPYZLJHUVQM-IONNQARKSA-N	-2	3	305.377	1.292	10	0		DDAEHL
C[N-]S(=O)(=O)c1ccc(CNc2cccc(C(=O)[O-])c2)o1	ZINC000088540050	185255970	/nfs/dbraw/zinc/25/59/70/185255970.db2.gz	MWNRFOMDNYUPJT-UHFFFAOYSA-N	-2	3	310.331	1.498	10	0		DDAEHL
C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H]1C	ZINC000252450333	354383373	/nfs/dbraw/zinc/38/33/73/354383373.db2.gz	JDIKEZWSHSUCNX-KHQFGBGNSA-N	-2	3	301.368	1.211	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC(O)CC2)c(F)c1	ZINC000092114040	193161882	/nfs/dbraw/zinc/16/18/82/193161882.db2.gz	JWAWFLRVIYMMPV-UHFFFAOYSA-N	-2	3	317.338	1.106	10	0		DDAEHL
CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000040503089	183084358	/nfs/dbraw/zinc/08/43/58/183084358.db2.gz	RUBYTPHPCQQYNF-JTQLQIEISA-N	-2	3	318.420	1.209	10	0		DDAEHL
CCCS(=O)(=O)[N-]c1ccc(C(=O)COCC(=O)[O-])cc1	ZINC000041071620	183162925	/nfs/dbraw/zinc/16/29/25/183162925.db2.gz	BUYDNEHDMOXHNU-UHFFFAOYSA-N	-2	3	315.347	1.122	10	0		DDAEHL
CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037731848	337367540	/nfs/dbraw/zinc/36/75/40/337367540.db2.gz	ZTTSYHIGUHFNGF-VIFPVBQESA-N	-2	3	303.384	1.601	10	0		DDAEHL
O=C([O-])CO[N-]C(=O)CCOc1ccc(Br)cc1	ZINC000069073277	190796697	/nfs/dbraw/zinc/79/66/97/190796697.db2.gz	QROOGCVOKZUZRA-UHFFFAOYSA-N	-2	3	318.123	1.350	10	0		DDAEHL
C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000049566469	352555640	/nfs/dbraw/zinc/55/56/40/352555640.db2.gz	FKJDXTACGXDSQX-MRVPVSSYSA-N	-2	3	313.335	1.001	10	0		DDAEHL
C[C@H](CCC(=O)[O-])Nc1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000080203170	192013075	/nfs/dbraw/zinc/01/30/75/192013075.db2.gz	WGJYJHZVKCPJCG-MRVPVSSYSA-N	-2	3	304.343	1.862	10	0		DDAEHL
O=C([O-])[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C(F)(F)F	ZINC000263148648	304132359	/nfs/dbraw/zinc/13/23/59/304132359.db2.gz	NJLJUQSXDXNZKB-RKDXNWHRSA-N	-2	3	303.236	1.727	10	0		DDAEHL
COC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114644	193162240	/nfs/dbraw/zinc/16/22/40/193162240.db2.gz	QZHZGILRUZDYRM-QMMMGPOBSA-N	-2	3	305.327	1.085	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)[C@H]1CCCO1	ZINC000092114170	193162272	/nfs/dbraw/zinc/16/22/72/193162272.db2.gz	PHLIFFJXIWXGJP-LDYMZIIASA-N	-2	3	317.338	1.370	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)c(F)c1	ZINC000092114670	193162739	/nfs/dbraw/zinc/16/27/39/193162739.db2.gz	JEEVJJCNBQMWJY-MNOVXSKESA-N	-2	3	317.338	1.106	10	0		DDAEHL
COc1cc(OC)c([N-]S(=O)(=O)CC(=O)[O-])cc1Cl	ZINC000021015096	182260404	/nfs/dbraw/zinc/26/04/04/182260404.db2.gz	VDVDJRAVOUGWFD-UHFFFAOYSA-N	-2	3	309.727	1.184	10	0		DDAEHL
C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000042865236	183315493	/nfs/dbraw/zinc/31/54/93/183315493.db2.gz	VAZDTJPXGIWEBO-BDAKNGLRSA-N	-2	3	301.368	1.213	10	0		DDAEHL
O=C([O-])c1ccc(Cn2[n-]c(=O)c3ccccc3c2=O)s1	ZINC000109600847	194276416	/nfs/dbraw/zinc/27/64/16/194276416.db2.gz	XDFPWUWSGXJYHU-UHFFFAOYSA-N	-2	3	302.311	1.498	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCC1	ZINC000084146926	407083592	/nfs/dbraw/zinc/08/35/92/407083592.db2.gz	BNGPIWVPFABWQJ-UHFFFAOYSA-N	-2	3	302.352	1.357	10	0		DDAEHL
CC(C)[C@@H](CC[N-]S(=O)(=O)c1c[nH]cn1)CCC(=O)[O-]	ZINC000079250875	185162333	/nfs/dbraw/zinc/16/23/33/185162333.db2.gz	VMLFQBCZOUTEOV-SNVBAGLBSA-N	-2	3	303.384	1.215	10	0		DDAEHL
C[C@H]1CCCCC[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000088512032	185254763	/nfs/dbraw/zinc/25/47/63/185254763.db2.gz	FYHNPHWDKSCEAM-WCBMZHEXSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CN(CCC(=O)[O-])S(=O)(=O)[N-]c1cccc2cccnc21	ZINC000088767209	185264776	/nfs/dbraw/zinc/26/47/76/185264776.db2.gz	SUFSHSJONAASRF-UHFFFAOYSA-N	-2	3	309.347	1.298	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nccs1	ZINC000080265285	192019458	/nfs/dbraw/zinc/01/94/58/192019458.db2.gz	DMSCDDQUNKNUCW-LURJTMIESA-N	-2	3	318.401	1.942	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000080147217	192006035	/nfs/dbraw/zinc/00/60/35/192006035.db2.gz	XRITWUCUAPWAFT-NGZCFLSTSA-N	-2	3	315.416	1.842	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cn1)c1nccs1	ZINC000080265241	192018891	/nfs/dbraw/zinc/01/88/91/192018891.db2.gz	RGOLWXNCWLCBHR-ZETCQYMHSA-N	-2	3	313.360	1.276	10	0		DDAEHL
O=C([O-])[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(F)c1	ZINC000089426290	192787831	/nfs/dbraw/zinc/78/78/31/192787831.db2.gz	WOCMNAUAPNATFG-QPUJVOFHSA-N	-2	3	319.329	1.744	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@H]2CCCCC[C@@H]2C(=O)[O-])c[nH]1	ZINC000094744725	193394827	/nfs/dbraw/zinc/39/48/27/193394827.db2.gz	IBHXCNAZXFEVEW-UWVGGRQHSA-N	-2	3	315.395	1.284	10	0		DDAEHL
CCOC([O-])=NC(=O)COc1cc(Cl)ccc1C(=O)[O-]	ZINC000042302145	183251576	/nfs/dbraw/zinc/25/15/76/183251576.db2.gz	GNJKCTQNKKQLMC-UHFFFAOYSA-N	-2	3	301.682	1.690	10	0		DDAEHL
CCOC(=O)[N-]C(=O)COc1cc(Cl)ccc1C(=O)[O-]	ZINC000042302145	183251577	/nfs/dbraw/zinc/25/15/77/183251577.db2.gz	GNJKCTQNKKQLMC-UHFFFAOYSA-N	-2	3	301.682	1.690	10	0		DDAEHL
CCOC([O-])=NC(=O)COc1ccc(C(=O)[O-])cc1Cl	ZINC000042302149	183251835	/nfs/dbraw/zinc/25/18/35/183251835.db2.gz	AFJGRGHZUTZNDK-UHFFFAOYSA-N	-2	3	301.682	1.690	10	0		DDAEHL
CCOC(=O)[N-]C(=O)COc1ccc(C(=O)[O-])cc1Cl	ZINC000042302149	183251836	/nfs/dbraw/zinc/25/18/36/183251836.db2.gz	AFJGRGHZUTZNDK-UHFFFAOYSA-N	-2	3	301.682	1.690	10	0		DDAEHL
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)C[C@H]1CCCO1	ZINC000230027185	407679823	/nfs/dbraw/zinc/67/98/23/407679823.db2.gz	PSTGFKZYRKHOFJ-MRVPVSSYSA-N	-2	3	319.766	1.959	10	0		DDAEHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])cn2)cc1	ZINC000005138008	181208970	/nfs/dbraw/zinc/20/89/70/181208970.db2.gz	CYYQURYSFZQZDX-UHFFFAOYSA-N	-2	3	307.331	1.546	10	0		DDAEHL
CCOC(=O)CCS(=O)(=O)[N-]c1cc(CC)ccc1[O-]	ZINC000094427178	193368456	/nfs/dbraw/zinc/36/84/56/193368456.db2.gz	LIXVYYOMAKYUNA-UHFFFAOYSA-N	-2	3	301.364	1.650	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H]2CCCCC[C@H]2C(=O)[O-])c1	ZINC000094744656	193394866	/nfs/dbraw/zinc/39/48/66/193394866.db2.gz	NDOWIZQQOCSLSQ-GHMZBOCLSA-N	-2	3	315.395	1.215	10	0		DDAEHL
Cc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1	ZINC000061321433	184168105	/nfs/dbraw/zinc/16/81/05/184168105.db2.gz	YAYROWJBMDYOHO-UHFFFAOYSA-N	-2	3	313.360	1.023	10	0		DDAEHL
COC[C@H](C)S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000274910008	293064953	/nfs/dbraw/zinc/06/49/53/293064953.db2.gz	KHVHVBJGUQDISE-ZETCQYMHSA-N	-2	3	307.755	1.815	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCCC2)c(F)c1	ZINC000092114827	193162617	/nfs/dbraw/zinc/16/26/17/193162617.db2.gz	NMNVRTVYKMHEPR-UHFFFAOYSA-N	-2	3	317.338	1.107	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]Cc2cccnc2)s1	ZINC000021016374	182260638	/nfs/dbraw/zinc/26/06/38/182260638.db2.gz	BAFUFWXXCRGIMH-UHFFFAOYSA-N	-2	3	312.372	1.249	10	0		DDAEHL
Nc1csc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)[N-]C3=O)c1	ZINC000041067840	183161603	/nfs/dbraw/zinc/16/16/03/183161603.db2.gz	RVPMDYICUMUVBG-UHFFFAOYSA-N	-2	3	323.355	1.015	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCO1)c1nc(C(=O)[O-])cs1	ZINC000090940904	484013100	/nfs/dbraw/zinc/01/31/00/484013100.db2.gz	WYUDGAMPCBLBHN-SFYZADRCSA-N	-2	3	320.392	1.001	10	0		DDAEHL
C[C@@H](CC[N-]S(=O)(=O)c1cccnc1Cl)CCC(=O)[O-]	ZINC000079063841	185151699	/nfs/dbraw/zinc/15/16/99/185151699.db2.gz	LQBZSLTVIBIOAA-SECBINFHSA-N	-2	3	320.798	1.904	10	0		DDAEHL
CC(C)OC(=O)c1ccc([N-]S(=O)(=O)CC(=O)[O-])cc1	ZINC000091858587	193118956	/nfs/dbraw/zinc/11/89/56/193118956.db2.gz	VROMUZDEZLCCGI-UHFFFAOYSA-N	-2	3	301.320	1.078	10	0		DDAEHL
O=C([O-])[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1C1CC1	ZINC000262239515	203238208	/nfs/dbraw/zinc/23/82/08/203238208.db2.gz	WAUGXHJJGUXGKS-MNOVXSKESA-N	-2	3	300.318	1.141	10	0		DDAEHL
CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000068601698	406651778	/nfs/dbraw/zinc/65/17/78/406651778.db2.gz	NLVVQGWFKOLPFA-IUCAKERBSA-N	-2	3	301.368	1.355	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cncc(F)c2)C1	ZINC000070556224	406819987	/nfs/dbraw/zinc/81/99/87/406819987.db2.gz	OLQKUUCOHAZOIL-WCBMZHEXSA-N	-2	3	302.327	1.142	10	0		DDAEHL
CC(C)c1oc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1[O-]	ZINC000227173853	407629100	/nfs/dbraw/zinc/62/91/00/407629100.db2.gz	DDLYBCSWHZRZHA-JTQLQIEISA-N	-2	3	316.766	1.556	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-]CC[C@H](CCC(=O)[O-])C(C)C)c[nH]1	ZINC000079250879	185162382	/nfs/dbraw/zinc/16/23/82/185162382.db2.gz	VCQLHHFBLBYMAE-NSHDSACASA-N	-2	3	317.411	1.524	10	0		DDAEHL
Cc1nsc(N(C)C(=O)c2n[n-]c(C(C)C)n2)c1C(=O)[O-]	ZINC000095044770	193414083	/nfs/dbraw/zinc/41/40/83/193414083.db2.gz	IJFJLNOSDNIMPS-UHFFFAOYSA-N	-2	3	309.351	1.668	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]Cc2ccccn2)s1	ZINC000021053242	248177812	/nfs/dbraw/zinc/17/78/12/248177812.db2.gz	BZSUPYKTZKVKBH-UHFFFAOYSA-N	-2	3	312.372	1.249	10	0		DDAEHL
O=C([O-])c1n[nH]c2cc([O-])cc(I)c21	ZINC000014984223	352152663	/nfs/dbraw/zinc/15/26/63/352152663.db2.gz	FSDCFBPUSOJHBD-UHFFFAOYSA-N	-2	3	304.043	1.571	10	0		DDAEHL
Cc1ccccc1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C(F)(F)F	ZINC000094221143	193350872	/nfs/dbraw/zinc/35/08/72/193350872.db2.gz	QAWIAAQXOQCEJX-JTQLQIEISA-N	-2	3	311.281	1.679	10	0		DDAEHL
CC(C)n1cc([N-]S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cn1	ZINC000061683241	184182172	/nfs/dbraw/zinc/18/21/72/184182172.db2.gz	XCEIKYGDIZBVPZ-LLVKDONJSA-N	-2	3	316.383	1.060	10	0		DDAEHL
O=C([O-])c1cncc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1	ZINC000062947008	184261889	/nfs/dbraw/zinc/26/18/89/184261889.db2.gz	WTFCADVUPYWEEB-UHFFFAOYSA-N	-2	3	310.306	1.861	10	0		DDAEHL
CC[C@H](C)[C@H](NCC(=O)/N=c1/cc[n-]n1[C@H](C)C1CC1)C(=O)[O-]	ZINC000263192313	287749954	/nfs/dbraw/zinc/74/99/54/287749954.db2.gz	VYKOXUWIZPTIAY-ZBWMNKLYSA-N	-2	3	322.409	1.303	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c[nH]1	ZINC000087672961	185230119	/nfs/dbraw/zinc/23/01/19/185230119.db2.gz	LRYQUPNADPJFFS-ZJUUUORDSA-N	-2	3	317.411	1.530	10	0		DDAEHL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]c1ncccc1Br	ZINC000083891672	192388609	/nfs/dbraw/zinc/38/86/09/192388609.db2.gz	ULYXRQMQACWJNU-YFKPBYRVSA-N	-2	3	309.141	1.059	10	0		DDAEHL
O=c1cc(CCc2ccc(OC(F)(F)F)cc2)[n-]nc1[O-]	ZINC000205766890	354306783	/nfs/dbraw/zinc/30/67/83/354306783.db2.gz	VDVDHPDLXQSFIW-UHFFFAOYSA-N	-2	3	300.236	1.747	10	0		DDAEHL
CCC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCC1	ZINC000233067004	354329641	/nfs/dbraw/zinc/32/96/41/354329641.db2.gz	GKXIOYPHVWYJTQ-UHFFFAOYSA-N	-2	3	301.368	1.357	10	0		DDAEHL
C[C@@H](CCC(=O)[O-])Nc1ccc(F)c([N-]S(C)(=O)=O)c1	ZINC000080203166	192012898	/nfs/dbraw/zinc/01/28/98/192012898.db2.gz	WGJYJHZVKCPJCG-QMMMGPOBSA-N	-2	3	304.343	1.862	10	0		DDAEHL
CC(C)OCCS(=O)(=O)[N-]c1cc(N)ccc1C(=O)[O-]	ZINC000093665069	193285978	/nfs/dbraw/zinc/28/59/78/193285978.db2.gz	ZLKVRDVXRYKULO-UHFFFAOYSA-N	-2	3	302.352	1.134	10	0		DDAEHL
C[C@@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CCC[C@H](C(=O)[O-])C1	ZINC000164573487	162154017	/nfs/dbraw/zinc/15/40/17/162154017.db2.gz	WIMCFTSMYDKMNP-CDNKDTADSA-N	-2	3	320.393	1.011	10	0		DDAEHL
O=[S@]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000675060529	563910462	/nfs/dbraw/zinc/91/04/62/563910462.db2.gz	BMIXQUPMEKUQJI-UHFFFAOYSA-N	-2	3	303.283	1.108	10	0		DDAEHL
CCC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000087502924	185227149	/nfs/dbraw/zinc/22/71/49/185227149.db2.gz	HJIYHWWBACKIHV-QMMMGPOBSA-N	-2	3	307.318	1.744	10	0		DDAEHL
C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000049566468	352555585	/nfs/dbraw/zinc/55/55/85/352555585.db2.gz	FKJDXTACGXDSQX-QMMMGPOBSA-N	-2	3	313.335	1.001	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c(F)c1	ZINC000092114672	193162109	/nfs/dbraw/zinc/16/21/09/193162109.db2.gz	JEEVJJCNBQMWJY-GHMZBOCLSA-N	-2	3	317.338	1.106	10	0		DDAEHL
O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)ccc1Cl	ZINC000019231148	182109651	/nfs/dbraw/zinc/10/96/51/182109651.db2.gz	CDEZLHXPDRCUIZ-UHFFFAOYSA-N	-2	3	317.672	1.879	10	0		DDAEHL
O=C([O-])C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1	ZINC000000264945	406637605	/nfs/dbraw/zinc/63/76/05/406637605.db2.gz	LABLHXLNLNYNPG-UHFFFAOYSA-N	-2	3	303.405	1.917	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCC[C@H](C)C1	ZINC000041034935	302844458	/nfs/dbraw/zinc/84/44/58/302844458.db2.gz	GCKDUZJLDBPTKM-SDBXPKJASA-N	-2	3	316.379	1.603	10	0		DDAEHL
COc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)c1	ZINC000262009661	203173239	/nfs/dbraw/zinc/17/32/39/203173239.db2.gz	FIOWQRDRMKMLDW-OLZOCXBDSA-N	-2	3	305.330	1.584	10	0		DDAEHL
CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000040777538	183132100	/nfs/dbraw/zinc/13/21/00/183132100.db2.gz	ZNDAZPTTWKRWNA-VIFPVBQESA-N	-2	3	321.420	1.061	10	0		DDAEHL
CC(C)n1cc([N-]S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cn1	ZINC000061683242	184182270	/nfs/dbraw/zinc/18/22/70/184182270.db2.gz	XCEIKYGDIZBVPZ-NSHDSACASA-N	-2	3	316.383	1.060	10	0		DDAEHL
C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000385993995	325757899	/nfs/dbraw/zinc/75/78/99/325757899.db2.gz	BIECQWFMFQEALD-MRVPVSSYSA-N	-2	3	303.384	1.601	10	0		DDAEHL
CCC[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-]	ZINC000087501185	185227095	/nfs/dbraw/zinc/22/70/95/185227095.db2.gz	QAKMHPRLRSOURZ-QMMMGPOBSA-N	-2	3	306.771	1.514	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C(=O)[O-])c1	ZINC000092890248	185348176	/nfs/dbraw/zinc/34/81/76/185348176.db2.gz	BRJTWEKPLAZADA-WDEREUQCSA-N	-2	3	315.395	1.072	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c[nH]1	ZINC000084147331	192406530	/nfs/dbraw/zinc/40/65/30/192406530.db2.gz	ZLXNGMGPDZBZFM-UHFFFAOYSA-N	-2	3	315.395	1.428	10	0		DDAEHL
N[C@@H](CCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000085841034	192533101	/nfs/dbraw/zinc/53/31/01/192533101.db2.gz	VJCOOSZFCFXWSC-QMMMGPOBSA-N	-2	3	300.698	1.169	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H]1CCCO1	ZINC000035216555	406970106	/nfs/dbraw/zinc/97/01/06/406970106.db2.gz	XBBQPYZLJHUVQM-APPZFPTMSA-N	-2	3	305.377	1.292	10	0		DDAEHL
NCc1ccccc1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000071700193	191009224	/nfs/dbraw/zinc/00/92/24/191009224.db2.gz	DCJTUQQGEQOGGO-UHFFFAOYSA-N	-2	3	314.297	1.794	10	0		DDAEHL
CCCCCC[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037732214	696133340	/nfs/dbraw/zinc/13/33/40/696133340.db2.gz	YVXGWEIIJUMZOQ-SECBINFHSA-N	-2	3	303.384	1.745	10	0		DDAEHL
CN(C)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000043411896	183361029	/nfs/dbraw/zinc/36/10/29/183361029.db2.gz	BWPVGBAAUBZOJY-UHFFFAOYSA-N	-2	3	318.370	1.142	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)CC2)c1	ZINC000092890045	185348112	/nfs/dbraw/zinc/34/81/12/185348112.db2.gz	DHWWSDXRUDQRRP-UHFFFAOYSA-N	-2	3	315.395	1.215	10	0		DDAEHL
COCCCS(=O)(=O)[N-]c1cc(Br)ccc1[O-]	ZINC000094573797	193381423	/nfs/dbraw/zinc/38/14/23/193381423.db2.gz	QXHHENZUKGWNNC-UHFFFAOYSA-N	-2	3	324.196	1.933	10	0		DDAEHL
O=C([O-])c1ccc(NCCCn2cnc3c2nc[n-]c3=O)cc1	ZINC000005117169	181205006	/nfs/dbraw/zinc/20/50/06/181205006.db2.gz	ABCJVUIHFVMELP-UHFFFAOYSA-N	-2	3	313.317	1.320	10	0		DDAEHL
O=c1[n-]c(N2CCOCC2)nc([O-])c1-c1ccccc1Cl	ZINC000093176525	193212504	/nfs/dbraw/zinc/21/25/04/193212504.db2.gz	OZKVHJKFQDPJIQ-UHFFFAOYSA-N	-2	3	307.737	1.633	10	0		DDAEHL
O=c1[n-]c(N2CCOCC2)nc([O-])c1-c1cccc(Cl)c1	ZINC000093174481	193211527	/nfs/dbraw/zinc/21/15/27/193211527.db2.gz	OLWJYLDRKUELMT-UHFFFAOYSA-N	-2	3	307.737	1.633	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-][C@H]2CCCCC[C@@H]2C(=O)[O-])c[nH]1	ZINC000094744683	193394633	/nfs/dbraw/zinc/39/46/33/193394633.db2.gz	NKFSETKYLGFABX-UWVGGRQHSA-N	-2	3	301.368	1.030	10	0		DDAEHL
O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c(Cl)c1	ZINC000071392819	406838440	/nfs/dbraw/zinc/83/84/40/406838440.db2.gz	BORDDODTAWMJAS-SECBINFHSA-N	-2	3	319.766	1.959	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c[nH]1	ZINC000087672962	185230037	/nfs/dbraw/zinc/23/00/37/185230037.db2.gz	LRYQUPNADPJFFS-NXEZZACHSA-N	-2	3	317.411	1.530	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c[nH]1	ZINC000087672963	185230056	/nfs/dbraw/zinc/23/00/56/185230056.db2.gz	LRYQUPNADPJFFS-UWVGGRQHSA-N	-2	3	317.411	1.530	10	0		DDAEHL
Cc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])CC(C)C)c[nH]1	ZINC000088273856	185244485	/nfs/dbraw/zinc/24/44/85/185244485.db2.gz	OUMSSYJCZYDPMU-SNVBAGLBSA-N	-2	3	303.384	1.133	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c(F)c1	ZINC000092114671	193162210	/nfs/dbraw/zinc/16/22/10/193162210.db2.gz	JEEVJJCNBQMWJY-QWRGUYRKSA-N	-2	3	317.338	1.106	10	0		DDAEHL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1	ZINC000021500921	182274843	/nfs/dbraw/zinc/27/48/43/182274843.db2.gz	HKJMRDDPLLUAHX-UHFFFAOYSA-N	-2	3	311.281	1.544	10	0		DDAEHL
O=C([O-])CSc1nnc(NC(=O)c2cccc([O-])c2)s1	ZINC000041018181	183156519	/nfs/dbraw/zinc/15/65/19/183156519.db2.gz	NTASOGAAEFULFF-UHFFFAOYSA-N	-2	3	311.344	1.673	10	0		DDAEHL
O=C([O-])CN1CCCN(C(=O)c2cc(Cl)ccc2[O-])CC1	ZINC000061125998	184162750	/nfs/dbraw/zinc/16/27/50/184162750.db2.gz	AZOHIBKIHAWGLN-UHFFFAOYSA-N	-2	3	312.753	1.278	10	0		DDAEHL
Cc1ccc([C@H](C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])o1	ZINC000134681177	484033211	/nfs/dbraw/zinc/03/32/11/484033211.db2.gz	UODNDDSCRJEGFK-ZETCQYMHSA-N	-2	3	316.360	1.782	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c[nH]1	ZINC000088273768	185244371	/nfs/dbraw/zinc/24/43/71/185244371.db2.gz	CWFIQSCFOQAEQF-JTQLQIEISA-N	-2	3	317.411	1.387	10	0		DDAEHL
CSC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114761	193162550	/nfs/dbraw/zinc/16/25/50/193162550.db2.gz	WTSRPRHRXZDAFO-MRVPVSSYSA-N	-2	3	321.395	1.801	10	0		DDAEHL
O=C([O-])c1ccc(Cl)c(NC(=O)c2cc(=O)[n-]c(=O)[nH]2)c1	ZINC000021516845	182277224	/nfs/dbraw/zinc/27/72/24/182277224.db2.gz	HATJJIVJGDMOOJ-UHFFFAOYSA-N	-2	3	309.665	1.079	10	0		DDAEHL
COC[C@H](C)S(=O)(=O)[N-]c1cc(OC)ccc1C(=O)[O-]	ZINC000275015561	293064735	/nfs/dbraw/zinc/06/47/35/293064735.db2.gz	CLTMNOQJDGZNGQ-QMMMGPOBSA-N	-2	3	303.336	1.170	10	0		DDAEHL
O=C([O-])c1cc(C(F)(F)F)ccc1NC(=O)c1cnn[n-]1	ZINC000090639336	185307635	/nfs/dbraw/zinc/30/76/35/185307635.db2.gz	LFHLBSOIDQPKGH-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
O=C([O-])c1cc(C(F)(F)F)ccc1NC(=O)c1c[n-]nn1	ZINC000090639336	185307636	/nfs/dbraw/zinc/30/76/36/185307636.db2.gz	LFHLBSOIDQPKGH-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
O=C([O-])c1cc(C(F)(F)F)ccc1NC(=O)c1cn[n-]n1	ZINC000090639336	185307637	/nfs/dbraw/zinc/30/76/37/185307637.db2.gz	LFHLBSOIDQPKGH-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
CCOC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114628	193162781	/nfs/dbraw/zinc/16/27/81/193162781.db2.gz	XDCUZAJWYGYCNT-MRVPVSSYSA-N	-2	3	305.327	1.227	10	0		DDAEHL
O=C([O-])/C=C/c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1	ZINC000063156920	184275084	/nfs/dbraw/zinc/27/50/84/184275084.db2.gz	VLCZIFRTPDTRKT-KTRBRXNASA-N	-2	3	311.359	1.705	10	0		DDAEHL
CCC[C@H](C[N-]S(=O)(=O)c1cn(CCC)c(C)n1)C(=O)[O-]	ZINC000087502187	185227271	/nfs/dbraw/zinc/22/72/71/185227271.db2.gz	OJFMFFUVAHRGLS-LLVKDONJSA-N	-2	3	317.411	1.381	10	0		DDAEHL
COC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114645	193162371	/nfs/dbraw/zinc/16/23/71/193162371.db2.gz	QZHZGILRUZDYRM-MRVPVSSYSA-N	-2	3	305.327	1.085	10	0		DDAEHL
C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000042865231	183315346	/nfs/dbraw/zinc/31/53/46/183315346.db2.gz	VAZDTJPXGIWEBO-RKDXNWHRSA-N	-2	3	301.368	1.213	10	0		DDAEHL
Cc1ccc(NC(=O)CSc2nc([O-])cc(=O)[n-]2)c(C)c1	ZINC000104609711	194020166	/nfs/dbraw/zinc/02/01/66/194020166.db2.gz	MUZDADMFZCORLB-UHFFFAOYSA-N	-2	3	305.359	1.378	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)[C@@H]1CCCO1	ZINC000035216467	406970138	/nfs/dbraw/zinc/97/01/38/406970138.db2.gz	PDKQBQJKQHJYPX-KCJUWKMLSA-N	-2	3	317.338	1.370	10	0		DDAEHL
CC(C)(C)[C@H](CC[N-]S(=O)(=O)c1c[nH]cn1)CCC(=O)[O-]	ZINC000079285759	185163344	/nfs/dbraw/zinc/16/33/44/185163344.db2.gz	GEZWTGOPIJQEND-JTQLQIEISA-N	-2	3	317.411	1.605	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nccs1	ZINC000080265214	192019593	/nfs/dbraw/zinc/01/95/93/192019593.db2.gz	SGGHKWVOGSFHML-LURJTMIESA-N	-2	3	318.401	1.942	10	0		DDAEHL
O=C([O-])c1cc(Cl)ccc1NC(=O)c1cc(=O)[n-]c(=O)[nH]1	ZINC000020013391	182178016	/nfs/dbraw/zinc/17/80/16/182178016.db2.gz	VOLCWDLJYGLRBJ-UHFFFAOYSA-N	-2	3	309.665	1.079	10	0		DDAEHL
CC(C)n1ncc2cc([N-]S(=O)(=O)[C@H](C)C(=O)[O-])cnc21	ZINC000049045957	183705733	/nfs/dbraw/zinc/70/57/33/183705733.db2.gz	DITJFYXDXQUWEE-MRVPVSSYSA-N	-2	3	312.351	1.227	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c1	ZINC000037981796	418416756	/nfs/dbraw/zinc/41/67/56/418416756.db2.gz	XHCYJXGQGFMTKK-VIFPVBQESA-N	-2	3	305.377	1.294	10	0		DDAEHL
CCOCCS(=O)(=O)[N-]c1ccc(/C=C/C(=O)[O-])c(F)c1	ZINC000088084496	185239180	/nfs/dbraw/zinc/23/91/80/185239180.db2.gz	KBKBTADHTBUGFT-GQCTYLIASA-N	-2	3	317.338	1.702	10	0		DDAEHL
CC(C)C[C@](C)(O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000090271954	185288586	/nfs/dbraw/zinc/28/85/86/185288586.db2.gz	CMQVYCFWMCOQFX-LBPRGKRZSA-N	-2	3	305.352	1.053	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCCC[C@@H]2C)c1	ZINC000092890104	185348089	/nfs/dbraw/zinc/34/80/89/185348089.db2.gz	QLDSLUXACVJSFW-GXFFZTMASA-N	-2	3	315.395	1.215	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccncc2)c(F)c1	ZINC000092114097	193162810	/nfs/dbraw/zinc/16/28/10/193162810.db2.gz	MRGZBFIHLZSOIA-UHFFFAOYSA-N	-2	3	310.306	1.397	10	0		DDAEHL
Cc1ccc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C(F)(F)F)cc1	ZINC000094221345	193350737	/nfs/dbraw/zinc/35/07/37/193350737.db2.gz	AXCLEJJNIVFRJS-JTQLQIEISA-N	-2	3	311.281	1.679	10	0		DDAEHL
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)C[C@@H]1CCCO1	ZINC000230027179	407678421	/nfs/dbraw/zinc/67/84/21/407678421.db2.gz	PSTGFKZYRKHOFJ-QMMMGPOBSA-N	-2	3	319.766	1.959	10	0		DDAEHL
C[C@@H](CC[N-]S(=O)(=O)c1ccccc1F)CCC(=O)[O-]	ZINC000079062424	185151916	/nfs/dbraw/zinc/15/19/16/185151916.db2.gz	DNFNIXLAAISEGS-SNVBAGLBSA-N	-2	3	303.355	1.995	10	0		DDAEHL
Cc1cc(=O)n(-c2ccc3cc([O-])cc(S(=O)(=O)[O-])c3c2)[n-]1	ZINC000005767749	181282251	/nfs/dbraw/zinc/28/22/51/181282251.db2.gz	GZMUIZGBSSTJPC-UHFFFAOYSA-N	-3	3	320.326	1.905	10	0		DDAEHL
CC(C)OC(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1	ZINC000091858588	193119426	/nfs/dbraw/zinc/11/94/26/193119426.db2.gz	PHYZFDCLTDVPBH-UHFFFAOYSA-N	-2	3	315.347	1.468	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](O)C2)c(F)c1	ZINC000092114377	193162703	/nfs/dbraw/zinc/16/27/03/193162703.db2.gz	KFEMKTWTAOJPRV-NXEZZACHSA-N	-2	3	317.338	1.106	10	0		DDAEHL
Cc1ccc([O-])c(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1	ZINC000091996700	193138675	/nfs/dbraw/zinc/13/86/75/193138675.db2.gz	BGUWQOIOQVYQCG-GFCCVEGCSA-N	-2	3	304.268	1.935	10	0		DDAEHL
C[C@@H](CC[N-]S(=O)(=O)c1cncc(F)c1)CCC(=O)[O-]	ZINC000079064295	185152201	/nfs/dbraw/zinc/15/22/01/185152201.db2.gz	HOTGYZPBWWOGRO-SECBINFHSA-N	-2	3	304.343	1.390	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCCC[C@H]2C)c1	ZINC000092890106	185347923	/nfs/dbraw/zinc/34/79/23/185347923.db2.gz	QLDSLUXACVJSFW-ZWNOBZJWSA-N	-2	3	315.395	1.215	10	0		DDAEHL
CCC[C@H](COC)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1	ZINC000083755666	192381543	/nfs/dbraw/zinc/38/15/43/192381543.db2.gz	BAMQMONJCIGZIN-SECBINFHSA-N	-2	3	321.420	1.469	10	0		DDAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c(F)c1	ZINC000092114547	193162161	/nfs/dbraw/zinc/16/21/61/193162161.db2.gz	JLNNGLWRDPUNFS-JTQLQIEISA-N	-2	3	317.338	1.371	10	0		DDAEHL
CSCC[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000040483713	183077673	/nfs/dbraw/zinc/07/76/73/183077673.db2.gz	FUYKKFJGFMZGAC-JTQLQIEISA-N	-2	3	312.347	1.102	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1	ZINC000070555951	406818168	/nfs/dbraw/zinc/81/81/68/406818168.db2.gz	JSHLIBZGFAVPIO-DTWKUNHWSA-N	-2	3	319.329	1.887	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1	ZINC000085977064	484002981	/nfs/dbraw/zinc/00/29/81/484002981.db2.gz	FGDKDRBUHVQBIQ-WPRPVWTQSA-N	-2	3	319.404	1.276	10	0		DDAEHL
Cc1nc(C=Cc2ccc(F)nc2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503220	697746398	/nfs/dbraw/zinc/74/63/98/697746398.db2.gz	UMBIIMORKGRXMU-ZZXKWVIFSA-N	-2	3	303.293	1.800	10	0		DDAEHL
CC(C)([N-]S(=O)(=O)c1cccnc1Cl)C(C)(C)C(=O)[O-]	ZINC000087623146	185229269	/nfs/dbraw/zinc/22/92/69/185229269.db2.gz	QFSCTBKMMAPGGO-UHFFFAOYSA-N	-2	3	320.798	1.903	10	0		DDAEHL
C[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000088512027	185254586	/nfs/dbraw/zinc/25/45/86/185254586.db2.gz	FYHNPHWDKSCEAM-SCZZXKLOSA-N	-2	3	301.368	1.355	10	0		DDAEHL
CC(C)C[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000090271955	185288593	/nfs/dbraw/zinc/28/85/93/185288593.db2.gz	CMQVYCFWMCOQFX-GFCCVEGCSA-N	-2	3	305.352	1.053	10	0		DDAEHL
CCC(CC)(CO)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114682	193162320	/nfs/dbraw/zinc/16/23/20/193162320.db2.gz	JSFFPJVLTCNMJB-UHFFFAOYSA-N	-2	3	319.354	1.353	10	0		DDAEHL
O=C([O-])[C@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cncc(F)c1	ZINC000094744811	193394862	/nfs/dbraw/zinc/39/48/62/193394862.db2.gz	BXURECNAUAPWMS-RYUDHWBXSA-N	-2	3	316.354	1.533	10	0		DDAEHL
COC(=O)CCS(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1[O-]	ZINC000042301760	183251312	/nfs/dbraw/zinc/25/13/12/183251312.db2.gz	MVBNDEIPSHGGMR-UHFFFAOYSA-N	-2	3	315.391	1.995	10	0		DDAEHL
CCCC[C@H](CC)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000223799006	354315844	/nfs/dbraw/zinc/31/58/44/354315844.db2.gz	AFSXMYOBIKMGDA-VIFPVBQESA-N	-2	3	303.384	1.603	10	0		DDAEHL
C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000235616130	354333500	/nfs/dbraw/zinc/33/35/00/354333500.db2.gz	XKYIFXJPHADIEN-DTWKUNHWSA-N	-2	3	301.368	1.213	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1C(=O)[O-]	ZINC000089426720	192788179	/nfs/dbraw/zinc/78/81/79/192788179.db2.gz	PLHVVLJMCWXVGH-ZJUUUORDSA-N	-2	3	302.352	1.071	10	0		DDAEHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H]1CCCO1	ZINC000035216554	406970206	/nfs/dbraw/zinc/97/02/06/406970206.db2.gz	XBBQPYZLJHUVQM-CBAPKCEASA-N	-2	3	305.377	1.292	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2C3)s1	ZINC000080147209	192005840	/nfs/dbraw/zinc/00/58/40/192005840.db2.gz	XRITWUCUAPWAFT-IQJOONFLSA-N	-2	3	315.416	1.842	10	0		DDAEHL
COc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F)c([O-])c1	ZINC000094217538	193349666	/nfs/dbraw/zinc/34/96/66/193349666.db2.gz	UHGQISTYUFUXDJ-NSHDSACASA-N	-2	3	307.224	1.536	10	0		DDAEHL
COC(=O)[C@H](C)S(=O)(=O)[N-]c1cc(C)c(C)c(C(=O)[O-])c1	ZINC000062348946	184231439	/nfs/dbraw/zinc/23/14/39/184231439.db2.gz	PPRGNMJUJJDENP-VIFPVBQESA-N	-2	3	315.347	1.305	10	0		DDAEHL
CCC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000087502926	185227221	/nfs/dbraw/zinc/22/72/21/185227221.db2.gz	HJIYHWWBACKIHV-MRVPVSSYSA-N	-2	3	307.318	1.744	10	0		DDAEHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccco1	ZINC000004641501	181131508	/nfs/dbraw/zinc/13/15/08/181131508.db2.gz	MODBGVLCLVZHQF-LLVKDONJSA-N	-2	3	313.306	1.913	10	0		DDAEHL
CN(C1CCCCC1)S(=O)(=O)[N-]c1cccc(C(=O)[O-])n1	ZINC000110935564	194370997	/nfs/dbraw/zinc/37/09/97/194370997.db2.gz	VJMIMUDJVDBYGC-UHFFFAOYSA-N	-2	3	313.379	1.701	10	0		DDAEHL
O=C([O-])/C=C/c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1	ZINC000063155486	184274668	/nfs/dbraw/zinc/27/46/68/184274668.db2.gz	NDWQLMFVETVMBL-LJLILKBBSA-N	-2	3	311.359	1.705	10	0		DDAEHL
O=Cc1cc(C(=O)[O-])cc([O-])c1C(=O)c1c([O-])cccc1[O-]	ZINC000000004360	406615748	/nfs/dbraw/zinc/61/57/48/406615748.db2.gz	INVAPAXTQZQLGN-UHFFFAOYSA-N	-4	3	302.238	1.545	10	0	in-vitro	DDAEHL
C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000385993996	418738085	/nfs/dbraw/zinc/73/80/85/418738085.db2.gz	BIECQWFMFQEALD-QMMMGPOBSA-N	-2	3	303.384	1.601	10	0		DDAEHL
C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)CC(=O)[O-]	ZINC000147245533	186038964	/nfs/dbraw/zinc/03/89/64/186038964.db2.gz	YEPWOKQREMPHMW-ZETCQYMHSA-N	-2	3	309.746	1.868	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1nccs1	ZINC000080265247	192019430	/nfs/dbraw/zinc/01/94/30/192019430.db2.gz	XYXKVZGUOGXHKW-ZCFIWIBFSA-N	-2	3	302.333	1.474	10	0		DDAEHL
CC[C@@](C)([N-]S(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-]	ZINC000094220856	193351068	/nfs/dbraw/zinc/35/10/68/193351068.db2.gz	UFZPFBYTVKNQJA-LLVKDONJSA-N	-2	3	321.376	1.066	10	0		DDAEHL
O=C([O-])c1n[n-]c(NC(=O)c2ccccc2Br)n1	ZINC000038711280	183007415	/nfs/dbraw/zinc/00/74/15/183007415.db2.gz	ZWBOHCZFQWIYNM-UHFFFAOYSA-N	-2	3	311.095	1.518	10	0		DDAEHL
COC(=O)CCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-]	ZINC000042301838	183251424	/nfs/dbraw/zinc/25/14/24/183251424.db2.gz	RNPHOZDNANFDSQ-UHFFFAOYSA-N	-2	3	321.738	1.343	10	0		DDAEHL
Cc1nc(N)[n-]c(=O)c1CCCNc1ccc(C(=O)[O-])cc1	ZINC000004822264	181157300	/nfs/dbraw/zinc/15/73/00/181157300.db2.gz	GOKUKACLBHSQFF-UHFFFAOYSA-N	-2	3	302.334	1.403	10	0		DDAEHL
CCn1nccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1	ZINC000195503435	201395434	/nfs/dbraw/zinc/39/54/34/201395434.db2.gz	POGVJCQOQHROOC-GQCTYLIASA-N	-2	3	302.334	1.482	10	0		DDAEHL
O=C([O-])C1CCC(C[N-]S(=O)(=O)c2cncc(F)c2)CC1	ZINC000093430058	193249864	/nfs/dbraw/zinc/24/98/64/193249864.db2.gz	NGCZCYQEPYVOPC-UHFFFAOYSA-N	-2	3	316.354	1.390	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]Cc2ccco2)s1	ZINC000020552487	182230783	/nfs/dbraw/zinc/23/07/83/182230783.db2.gz	JZPMXZVKDKEDMO-UHFFFAOYSA-N	-2	3	301.345	1.447	10	0		DDAEHL
COC(=O)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl	ZINC000042301728	183251326	/nfs/dbraw/zinc/25/13/26/183251326.db2.gz	KNRIREUNXNFZJN-UHFFFAOYSA-N	-2	3	321.738	1.343	10	0		DDAEHL
Cc1cnc(C[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cn1	ZINC000061321434	184168220	/nfs/dbraw/zinc/16/82/20/184168220.db2.gz	HNEZCQXMQCOXRW-UHFFFAOYSA-N	-2	3	313.360	1.023	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)s1	ZINC000228550411	163341640	/nfs/dbraw/zinc/34/16/40/163341640.db2.gz	XDPJKDYAVYXFER-MRVPVSSYSA-N	-2	3	321.445	1.407	10	0		DDAEHL
Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000005299123	325701201	/nfs/dbraw/zinc/70/12/01/325701201.db2.gz	CDUAVAXMQCAYTC-UHFFFAOYSA-N	-2	3	308.315	1.473	10	0		DDAEHL
CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000037731847	337367544	/nfs/dbraw/zinc/36/75/44/337367544.db2.gz	ZTTSYHIGUHFNGF-SECBINFHSA-N	-2	3	303.384	1.601	10	0		DDAEHL
CCC[C@@H](C[N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-]	ZINC000087502398	185227337	/nfs/dbraw/zinc/22/73/37/185227337.db2.gz	MNJITZDDWVSRJE-JTQLQIEISA-N	-2	3	303.355	1.913	10	0		DDAEHL
C[C@]([N-]S(=O)(=O)c1ccc(F)cc1)(C(=O)[O-])C(F)(F)F	ZINC000094221254	193350914	/nfs/dbraw/zinc/35/09/14/193350914.db2.gz	QQYASENIWMYOCA-VIFPVBQESA-N	-2	3	315.244	1.510	10	0		DDAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)s1	ZINC000088747550	185263922	/nfs/dbraw/zinc/26/39/22/185263922.db2.gz	PECDGLLHBBRWQJ-VIFPVBQESA-N	-2	3	301.389	1.762	10	0		DDAEHL
Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccn1	ZINC000092348976	185313459	/nfs/dbraw/zinc/31/34/59/185313459.db2.gz	QTDULQYFRQCYCG-UHFFFAOYSA-N	-2	3	308.315	1.595	10	0		DDAEHL
O=C([O-])c1sccc1Cn1[n-]c(=O)c2ccccc2c1=O	ZINC000110953946	194373521	/nfs/dbraw/zinc/37/35/21/194373521.db2.gz	APSSKDHJQSLVFK-UHFFFAOYSA-N	-2	3	302.311	1.498	10	0		DDAEHL
O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1	ZINC000063155410	184274859	/nfs/dbraw/zinc/27/48/59/184274859.db2.gz	IKGSXDCDSHXNTM-VIFPVBQESA-N	-2	3	319.766	1.959	10	0		DDAEHL
CC(C)CC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000392136667	336969109	/nfs/dbraw/zinc/96/91/09/336969109.db2.gz	PPQCJFWFPAFWQG-UHFFFAOYSA-N	-2	3	301.368	1.213	10	0		DDAEHL
CC[C@@](C)(CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F	ZINC000080885987	192198114	/nfs/dbraw/zinc/19/81/14/192198114.db2.gz	MQKPAJFGCXLPRS-LBPRGKRZSA-N	-2	3	323.317	1.102	10	0		DDAEHL
CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)[O-])C2)nc1C	ZINC000070556170	406820482	/nfs/dbraw/zinc/82/04/82/406820482.db2.gz	YAVNJZVQZWIPIL-QWRGUYRKSA-N	-2	3	315.395	1.133	10	0		DDAEHL
CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000037326237	696132139	/nfs/dbraw/zinc/13/21/39/696132139.db2.gz	MYVMWLHEQMOYCT-WRWORJQWSA-N	-2	3	307.318	1.742	10	0		DDAEHL
COc1ccc(C(=O)N(CC(=O)[O-])CC(F)(F)F)c([O-])c1	ZINC000092435725	185318169	/nfs/dbraw/zinc/31/81/69/185318169.db2.gz	IQVIXWDMTDXGED-UHFFFAOYSA-N	-2	3	307.224	1.490	10	0		DDAEHL
Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C(=O)[O-])O2)c1	ZINC000094558689	193379794	/nfs/dbraw/zinc/37/97/94/193379794.db2.gz	WQRKLVWQUHLWCI-KOLCDFICSA-N	-2	3	317.338	1.045	10	0		DDAEHL
C[C@H](CC[N-]S(=O)(=O)c1ccccc1F)CCC(=O)[O-]	ZINC000079062419	185151884	/nfs/dbraw/zinc/15/18/84/185151884.db2.gz	DNFNIXLAAISEGS-JTQLQIEISA-N	-2	3	303.355	1.995	10	0		DDAEHL
O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(Cl)c1	ZINC000071392818	406839645	/nfs/dbraw/zinc/83/96/45/406839645.db2.gz	BORDDODTAWMJAS-VIFPVBQESA-N	-2	3	319.766	1.959	10	0		DDAEHL
CCc1nc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c[nH]1	ZINC000087672964	185229999	/nfs/dbraw/zinc/22/99/99/185229999.db2.gz	LRYQUPNADPJFFS-VHSXEESVSA-N	-2	3	317.411	1.530	10	0		DDAEHL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]c1c2nsnc2ccc1Cl	ZINC000088119950	185239987	/nfs/dbraw/zinc/23/99/87/185239987.db2.gz	SOXSJZOYGHJQDS-BYPYZUCNSA-N	-2	3	321.767	1.560	10	0		DDAEHL
O=c1cc(CCc2cccc(OC(F)(F)F)c2)[n-]nc1[O-]	ZINC000205734792	354306707	/nfs/dbraw/zinc/30/67/07/354306707.db2.gz	FIDAQQRAMNFEGF-UHFFFAOYSA-N	-2	3	300.236	1.747	10	0		DDAEHL
CSC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000092114760	193162469	/nfs/dbraw/zinc/16/24/69/193162469.db2.gz	WTSRPRHRXZDAFO-QMMMGPOBSA-N	-2	3	321.395	1.801	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCC[C@H](C)C1	ZINC000041034934	183158436	/nfs/dbraw/zinc/15/84/36/183158436.db2.gz	GCKDUZJLDBPTKM-ISVAXAHUSA-N	-2	3	316.379	1.603	10	0		DDAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]CCc2nccs2)c1	ZINC000063134163	184272740	/nfs/dbraw/zinc/27/27/40/184272740.db2.gz	MNBOZJAWEXSXFT-UHFFFAOYSA-N	-2	3	318.401	1.424	10	0		DDAEHL
O=P([O-])([O-])C(Nc1cc(F)cc(F)c1)P(=O)([O-])[O-]	ZINC000584630587	337376674	/nfs/dbraw/zinc/37/66/74/337376674.db2.gz	GGQKYKQIBREUEY-UHFFFAOYSA-N	-4	3	303.094	1.016	10	0		DDAEHL
CC(C)([N-]S(=O)(=O)c1cncc(F)c1)C(C)(C)C(=O)[O-]	ZINC000087623518	185229251	/nfs/dbraw/zinc/22/92/51/185229251.db2.gz	TZQGNCVSQQNXFJ-UHFFFAOYSA-N	-2	3	304.343	1.388	10	0		DDAEHL
Cc1ncc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)s1	ZINC000235937096	354334202	/nfs/dbraw/zinc/33/42/02/354334202.db2.gz	XRVJLGQRIOCJQL-BDAKNGLRSA-N	-2	3	304.393	1.373	10	0		DDAEHL
O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1cnn[n-]1	ZINC000093432252	193250144	/nfs/dbraw/zinc/25/01/44/193250144.db2.gz	JFGPHIXHCURXEQ-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1c[n-]nn1	ZINC000093432252	193250145	/nfs/dbraw/zinc/25/01/45/193250145.db2.gz	JFGPHIXHCURXEQ-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
O=C([O-])c1ccc(C(F)(F)F)cc1NC(=O)c1cn[n-]n1	ZINC000093432252	193250146	/nfs/dbraw/zinc/25/01/46/193250146.db2.gz	JFGPHIXHCURXEQ-UHFFFAOYSA-N	-2	3	300.196	1.774	10	0		DDAEHL
O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1	ZINC000070555828	406817941	/nfs/dbraw/zinc/81/79/41/406817941.db2.gz	YZYMJBSPIVUPJF-UWVGGRQHSA-N	-2	3	301.339	1.747	10	0		DDAEHL
CCC1CCC(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000037905219	337368860	/nfs/dbraw/zinc/36/88/60/337368860.db2.gz	QCXVBOCAZJGARK-UHFFFAOYSA-N	-2	3	315.395	1.603	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@H](C)C2)c1	ZINC000092890100	185347993	/nfs/dbraw/zinc/34/79/93/185347993.db2.gz	WHINHJGOWRSHED-GXFFZTMASA-N	-2	3	315.395	1.215	10	0		DDAEHL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@H]3CC[C@@H]2C3)c1	ZINC000080147158	192005999	/nfs/dbraw/zinc/00/59/99/192005999.db2.gz	CREMTWZWNMCLFE-SBMIAAHKSA-N	-2	3	313.350	1.991	10	0		DDAEHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCSC1	ZINC000043511424	183369252	/nfs/dbraw/zinc/36/92/52/183369252.db2.gz	HQSAUEVMVSWUER-LLVKDONJSA-N	-2	3	323.342	1.203	10	0		DDAEHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc(F)cc2F)CCSC1	ZINC000043511367	183369731	/nfs/dbraw/zinc/36/97/31/183369731.db2.gz	DCSCLUWMCUITHA-NSHDSACASA-N	-2	3	323.342	1.203	10	0		DDAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCC[C@H](C(=O)[O-])C1	ZINC000070555900	406818218	/nfs/dbraw/zinc/81/82/18/406818218.db2.gz	LIOCPXKZTDXIRY-UWVGGRQHSA-N	-2	3	302.352	1.213	10	0		DDAEHL
Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])o1	ZINC000134681160	484032926	/nfs/dbraw/zinc/03/29/26/484032926.db2.gz	UODNDDSCRJEGFK-SSDOTTSWSA-N	-2	3	316.360	1.782	10	0		DDAEHL
C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nccs1	ZINC000080265216	192019233	/nfs/dbraw/zinc/01/92/33/192019233.db2.gz	SGGHKWVOGSFHML-ZCFIWIBFSA-N	-2	3	318.401	1.942	10	0		DDAEHL
O=C([O-])c1cncc([N-]S(=O)(=O)CCc2ccccn2)c1	ZINC000062947146	184261745	/nfs/dbraw/zinc/26/17/45/184261745.db2.gz	VDZHPQYFOJXTLF-UHFFFAOYSA-N	-2	3	307.331	1.159	10	0		DDAEHL
C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(CC(=O)[O-])s2)C1	ZINC000130993000	162002482	/nfs/dbraw/zinc/00/24/82/162002482.db2.gz	KWGKDSBEDKTDOL-DTWKUNHWSA-N	-2	3	303.405	1.842	10	0		DDAEHL
CC(C)[C@@H](CC[N-]S(=O)(=O)c1cn(C)cn1)CCC(=O)[O-]	ZINC000079250897	185162321	/nfs/dbraw/zinc/16/23/21/185162321.db2.gz	SEEQCGBIVQPEHT-LLVKDONJSA-N	-2	3	317.411	1.226	10	0		DDAEHL
CCn1cnc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCCC[C@@H]2C)c1	ZINC000092890105	185348072	/nfs/dbraw/zinc/34/80/72/185348072.db2.gz	QLDSLUXACVJSFW-GWCFXTLKSA-N	-2	3	315.395	1.215	10	0		DDAEHL
CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000068601691	190776569	/nfs/dbraw/zinc/77/65/69/190776569.db2.gz	NLVVQGWFKOLPFA-BDAKNGLRSA-N	-2	3	301.368	1.355	10	0		DDAEHL
NN=c1ncc(S(=O)(=O)[N-]c2nc3ccccc3s2)c[n-]1	ZINC000041071070	183162253	/nfs/dbraw/zinc/16/22/53/183162253.db2.gz	HNSFREWGGCCBIA-UHFFFAOYSA-N	-2	3	322.375	1.173	10	0		DDAEHL
CCCN(CCC)S(=O)(=O)[N-]c1ncccc1C(=O)[O-]	ZINC000110992042	194378417	/nfs/dbraw/zinc/37/84/17/194378417.db2.gz	XTZJCIBQNRWUNB-UHFFFAOYSA-N	-2	3	301.368	1.559	10	0		DDAEHL
O=P([O-])([O-])C(Nc1ccc(Cl)cc1)P(=O)([O-])[O-]	ZINC000059245747	184135651	/nfs/dbraw/zinc/13/56/51/184135651.db2.gz	PPOZCMYPJMEBPT-UHFFFAOYSA-N	-4	3	301.559	1.391	10	0		DDAEHL
Cc1cc(CS(=O)(=O)[N-]c2cc(N)ccc2C(=O)[O-])no1	ZINC000062831868	184254952	/nfs/dbraw/zinc/25/49/52/184254952.db2.gz	XFIVJUFCTODECV-UHFFFAOYSA-N	-2	3	311.319	1.205	10	0		DDAEHL
CC1CCC(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1	ZINC000063145696	184273821	/nfs/dbraw/zinc/27/38/21/184273821.db2.gz	CXBHCVVVGNTPNE-UHFFFAOYSA-N	-2	3	301.368	1.213	10	0		DDAEHL
CCn1nccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1	ZINC000443454619	230011265	/nfs/dbraw/zinc/01/12/65/230011265.db2.gz	POGVJCQOQHROOC-XQRVVYSFSA-N	-2	3	302.334	1.895	10	0		DDAEHL