smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCOCC1	ZINC000009282893	132312284	/nfs/dbraw/zinc/31/22/84/132312284.db2.gz	LQJDBOBVVOBVEI-UHFFFAOYSA-N	-2	0	426.878	2.684	50	0		IFAARL
CCOC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)[O-])CC1	ZINC000032961608	556572855	/nfs/dbraw/zinc/57/28/55/556572855.db2.gz	RDNTYZLEBXPDCH-UHFFFAOYSA-N	-2	0	439.515	2.526	50	0		IFAARL
COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(C(=O)[O-])c1	ZINC000060362431	556747201	/nfs/dbraw/zinc/74/72/01/556747201.db2.gz	GDZOLBNXGCIEBG-UHFFFAOYSA-N	-2	0	428.422	2.922	50	0		IFAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC(C)CC2)c1	ZINC000064843703	568971616	/nfs/dbraw/zinc/97/16/16/568971616.db2.gz	XFSMVGHDRUESGK-UHFFFAOYSA-N	-2	0	435.502	2.834	50	0		IFAARL
CCOC(=O)[C@H]1CCCN(c2ncc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2C)C1	ZINC000064843685	568971630	/nfs/dbraw/zinc/97/16/30/568971630.db2.gz	JUNXZSPBWZWFET-HNNXBMFYSA-N	-2	0	447.513	2.669	50	0		IFAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cnc(N3CCCCCC3)c(C(=O)[O-])c2)c1	ZINC000035397424	524880722	/nfs/dbraw/zinc/88/07/22/524880722.db2.gz	KKQNHKWWZYWUTF-UHFFFAOYSA-N	-2	0	435.502	2.978	50	0		IFAARL
Cc1ccc(-c2csc(NC(=O)CSc3nnc(CCC(=O)[O-])c(=O)[n-]3)n2)cc1	ZINC000022799470	525781816	/nfs/dbraw/zinc/78/18/16/525781816.db2.gz	JHTDNPJDCVDNNI-UHFFFAOYSA-N	-2	0	431.499	2.757	50	0		IFAARL
O=C([O-])c1cc(NC(=O)c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc2)ccc1O	ZINC000002432104	555778360	/nfs/dbraw/zinc/77/83/60/555778360.db2.gz	LSHREOLZGWNOJJ-UHFFFAOYSA-N	-2	0	436.376	2.999	50	0		IFAARL
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000002985963	555874019	/nfs/dbraw/zinc/87/40/19/555874019.db2.gz	JSNKWIHGHGUCHB-AUWJEWJLSA-N	-2	0	447.241	2.915	50	0		IFAARL
C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001737607	568889335	/nfs/dbraw/zinc/88/93/35/568889335.db2.gz	KITDQPUUEZXMSZ-SCLBCKFNSA-N	-2	0	439.420	2.662	50	0		IFAARL
O=S(=O)([N-]c1ccccn1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1	ZINC000095466326	569370930	/nfs/dbraw/zinc/37/09/30/569370930.db2.gz	SWJUBMRKRCLVJV-UHFFFAOYSA-N	-2	0	425.438	2.961	50	0		IFAARL
O=C([O-])c1cc(C(c2ccc(O)c(C(=O)[O-])c2)=C2CCC(=O)[C@H](C(=O)[O-])C2)ccc1O	ZINC000002546473	569408960	/nfs/dbraw/zinc/40/89/60/569408960.db2.gz	BWIVUOSTPYEJJO-OAHLLOKOSA-N	-3	0	426.377	2.750	50	0		IFAARL
CCCN(Cc1nc(=O)c2sccc2[n-]1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000014190348	556387614	/nfs/dbraw/zinc/38/76/14/556387614.db2.gz	GWJUHJUVKHDRKE-UHFFFAOYSA-N	-2	0	435.527	2.603	50	0		IFAARL
O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1	ZINC000003873921	557852536	/nfs/dbraw/zinc/85/25/36/557852536.db2.gz	UJIDKYTZIQTXPM-UHFFFAOYSA-N	-2	0	437.451	2.625	50	0	fda	IFAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156121	568848259	/nfs/dbraw/zinc/84/82/59/568848259.db2.gz	SILUVYOYOLFCJQ-IAGOWNOFSA-N	-2	0	432.502	2.724	50	0		IFAARL
CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc12	ZINC000002117006	569182557	/nfs/dbraw/zinc/18/25/57/569182557.db2.gz	AHEAWSJEHSANGR-CJNGLKHVSA-N	-2	0	433.457	2.646	50	0		IFAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002120497	569183441	/nfs/dbraw/zinc/18/34/41/569183441.db2.gz	MGNPLPPZHVAOMF-INIZCTEOSA-N	-2	0	431.828	2.521	50	0		IFAARL
O=C([O-])c1cccc(OCCOCCOCCOCCOc2cccc(C(=O)[O-])c2)c1	ZINC000003844452	555947684	/nfs/dbraw/zinc/94/76/84/555947684.db2.gz	XORTWHDHXPYGBQ-UHFFFAOYSA-N	-2	0	434.441	2.591	50	0		IFAARL
O=C([O-])c1cc(NC(=O)COc2ccc(I)cc2)cc(C(=O)[O-])c1	ZINC000009581539	556300806	/nfs/dbraw/zinc/30/08/06/556300806.db2.gz	KHMWINQPYVMSKH-UHFFFAOYSA-N	-2	0	441.177	2.705	50	0		IFAARL
Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1	ZINC000032765623	556332908	/nfs/dbraw/zinc/33/29/08/556332908.db2.gz	HFJYGJAUOBKYRV-UHFFFAOYSA-N	-2	0	444.494	2.773	50	0		IFAARL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1C(=O)[O-]	ZINC000033007310	556655953	/nfs/dbraw/zinc/65/59/53/556655953.db2.gz	DRKJXSQNCLDGDN-UHFFFAOYSA-N	-2	0	426.878	2.684	50	0		IFAARL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)no1	ZINC000017096413	556660219	/nfs/dbraw/zinc/66/02/19/556660219.db2.gz	YGXFLYCCYWXNQL-UHFFFAOYSA-N	-2	0	429.426	2.863	50	0		IFAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000025526780	557212923	/nfs/dbraw/zinc/21/29/23/557212923.db2.gz	DKGNIHAOTKJSCU-HUUCEWRRSA-N	-2	0	432.498	2.743	50	0		IFAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C)C2)c1	ZINC000064843821	568971691	/nfs/dbraw/zinc/97/16/91/568971691.db2.gz	LSSOHJFBVDVKHN-ZDUSSCGKSA-N	-2	0	435.502	2.834	50	0		IFAARL
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036359337	569085690	/nfs/dbraw/zinc/08/56/90/569085690.db2.gz	USORUPPNRFSOHO-LJQANCHMSA-N	-2	0	449.479	2.934	50	0		IFAARL
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000036610972	569123543	/nfs/dbraw/zinc/12/35/43/569123543.db2.gz	PCUGRWYXNUQSFH-KBPBESRZSA-N	-2	0	436.877	2.536	50	0		IFAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1	ZINC000253424887	569267097	/nfs/dbraw/zinc/26/70/97/569267097.db2.gz	ROTVBEIVHPABFK-UHFFFAOYSA-N	-2	0	441.465	2.770	50	0		IFAARL
O=C([O-])c1cc(NC(=O)c2cccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2)ccc1O	ZINC000003146588	569440894	/nfs/dbraw/zinc/44/08/94/569440894.db2.gz	LQPDWVOTLKCWIT-UHFFFAOYSA-N	-2	0	436.376	2.999	50	0		IFAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cn2cccn2)c1OC	ZINC000040088148	521935599	/nfs/dbraw/zinc/93/55/99/521935599.db2.gz	AUURFTDIELGQDU-CMDGGOBGSA-N	-2	0	443.481	2.847	50	0		IFAARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc(C(=O)[O-])c1	ZINC000002849671	555838661	/nfs/dbraw/zinc/83/86/61/555838661.db2.gz	AIPAGWUFZCNDMG-UHFFFAOYSA-N	-2	0	445.387	2.527	50	0		IFAARL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(=O)nc2ccc(Br)cn2c1[O-]	ZINC000206056493	556637898	/nfs/dbraw/zinc/63/78/98/556637898.db2.gz	JKDLARFZVAWXSM-CYBMUJFWSA-N	-2	0	447.241	2.556	50	0		IFAARL
COC(=O)c1[n-]n(-c2cccc3ccccc32)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000009075403	562966866	/nfs/dbraw/zinc/96/68/66/562966866.db2.gz	MVWMIPNHUXMCRQ-CTNGQTDRSA-N	-2	0	429.432	2.756	50	0		IFAARL
COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N(C)C	ZINC000096166146	569386064	/nfs/dbraw/zinc/38/60/64/569386064.db2.gz	MQMVWFIHWAYCRZ-UITAMQMPSA-N	-2	0	438.889	2.949	50	0		IFAARL
Cc1ccc(S(=O)(=O)[N-]c2nc(NC(=O)CCCC(=O)[O-])n(-c3ccccc3)n2)cc1	ZINC000096562354	569401159	/nfs/dbraw/zinc/40/11/59/569401159.db2.gz	LHDWAYMNICPTLU-UHFFFAOYSA-N	-2	0	443.485	2.570	50	0		IFAARL
CCN(CC)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1	ZINC000013041029	556447200	/nfs/dbraw/zinc/44/72/00/556447200.db2.gz	JEVBCSBDUSPBLC-UHFFFAOYSA-N	-2	0	446.934	2.870	50	0		IFAARL
COc1cc(O)c(C(=O)CCC(=O)[O-])cc1-c1cc(C(=O)CCC(=O)[O-])c(O)cc1OC	ZINC000071770737	556888083	/nfs/dbraw/zinc/88/80/83/556888083.db2.gz	UPLCMDHVVRCWBK-UHFFFAOYSA-N	-2	0	446.408	2.877	50	0		IFAARL
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(O)c12	ZINC000100224939	557249189	/nfs/dbraw/zinc/24/91/89/557249189.db2.gz	ZMKUUKJPBNPUNJ-AEFFLSMTSA-N	-2	0	427.844	2.646	50	0		IFAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[n-]c1=O	ZINC000003407720	562935238	/nfs/dbraw/zinc/93/52/38/562935238.db2.gz	AJXQPOILPDPACI-UHFFFAOYSA-N	-2	0	436.799	2.585	50	0		IFAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCCCCC2)c1	ZINC000064843783	568971801	/nfs/dbraw/zinc/97/18/01/568971801.db2.gz	UGYJYGSHMRJINE-UHFFFAOYSA-N	-2	0	435.502	2.978	50	0		IFAARL
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036353273	569083893	/nfs/dbraw/zinc/08/38/93/569083893.db2.gz	XBMMKEWWGPGDJR-SFHVURJKSA-N	-2	0	435.452	2.543	50	0		IFAARL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(Cc3cccs3)CC1)cn2CC(=O)[O-]	ZINC000036357237	569084455	/nfs/dbraw/zinc/08/44/55/569084455.db2.gz	HWPUWIRFKSMVAL-NRFANRHFSA-N	-2	0	443.525	2.740	50	0		IFAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(I)c1	ZINC000065593459	569140063	/nfs/dbraw/zinc/14/00/63/569140063.db2.gz	WSENOVURSVUUPN-UHFFFAOYSA-N	-2	0	447.250	2.728	50	0		IFAARL
CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc12	ZINC000002117005	569182570	/nfs/dbraw/zinc/18/25/70/569182570.db2.gz	AHEAWSJEHSANGR-BBRMVZONSA-N	-2	0	433.457	2.646	50	0		IFAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-]	ZINC000095941738	569375552	/nfs/dbraw/zinc/37/55/52/569375552.db2.gz	JVTBIHIUDVMIRU-UHFFFAOYSA-N	-3	0	439.511	2.998	50	0		IFAARL
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000008725686	569472198	/nfs/dbraw/zinc/47/21/98/569472198.db2.gz	FZXDENIFJAWZER-UHFFFAOYSA-N	-2	0	444.556	2.730	50	0		IFAARL
COC(=O)[C@@H](Cc1cc(Br)c([O-])c(Br)c1)[N-]C(=O)C(F)(F)F	ZINC000002381231	555774376	/nfs/dbraw/zinc/77/43/76/555774376.db2.gz	UXZAEOXFCAKKTD-MRVPVSSYSA-N	-2	0	449.017	2.680	50	0		IFAARL
O=C(/C=C\c1ccccc1)Oc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc21	ZINC000097447394	556200553	/nfs/dbraw/zinc/20/05/53/556200553.db2.gz	OBXQVOFKTLTRGW-TWGQIWQCSA-N	-2	0	434.447	2.952	50	0		IFAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)c1	ZINC000013032560	556442860	/nfs/dbraw/zinc/44/28/60/556442860.db2.gz	UNTVJIJFVLEQBH-CYBMUJFWSA-N	-2	0	438.889	2.748	50	0		IFAARL
CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1	ZINC000013042257	556448535	/nfs/dbraw/zinc/44/85/35/556448535.db2.gz	ODIIGLQFCAKPIV-UHFFFAOYSA-N	-2	0	432.907	2.526	50	0		IFAARL
O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cc(N2CCCS2(=O)=O)ccc1O	ZINC000072307277	556562112	/nfs/dbraw/zinc/56/21/12/556562112.db2.gz	DDMHSZCZUNGDSP-DHZHZOJOSA-N	-2	0	428.919	2.998	50	0		IFAARL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(=O)nc2ccc(C(F)(F)F)cn2c1[O-]	ZINC000206052035	556637564	/nfs/dbraw/zinc/63/75/64/556637564.db2.gz	PSXSRTNUDKXPCH-CYBMUJFWSA-N	-2	0	436.342	2.812	50	0		IFAARL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(=O)nc2ccc(Br)cn2c1[O-]	ZINC000206056470	556637941	/nfs/dbraw/zinc/63/79/41/556637941.db2.gz	JKDLARFZVAWXSM-ZDUSSCGKSA-N	-2	0	447.241	2.556	50	0		IFAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccncc2)c1	ZINC000058162243	556765726	/nfs/dbraw/zinc/76/57/26/556765726.db2.gz	JXFKNZZHTVSRAZ-UHFFFAOYSA-N	-2	0	441.465	2.770	50	0		IFAARL
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)[O-]	ZINC000031291853	563083223	/nfs/dbraw/zinc/08/32/23/563083223.db2.gz	VPLAJGAMHNQZIY-ZBRFXRBCSA-N	-2	0	432.516	2.912	50	0	endogenous,world	IFAARL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(Cc3cccs3)CC1)cn2CC(=O)[O-]	ZINC000036357238	569084483	/nfs/dbraw/zinc/08/44/83/569084483.db2.gz	HWPUWIRFKSMVAL-OAQYLSRUSA-N	-2	0	443.525	2.740	50	0		IFAARL
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000036610974	569123505	/nfs/dbraw/zinc/12/35/05/569123505.db2.gz	PCUGRWYXNUQSFH-UONOGXRCSA-N	-2	0	436.877	2.536	50	0		IFAARL
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000036610973	569123531	/nfs/dbraw/zinc/12/35/31/569123531.db2.gz	PCUGRWYXNUQSFH-ZIAGYGMSSA-N	-2	0	436.877	2.536	50	0		IFAARL
COCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000170592912	569141201	/nfs/dbraw/zinc/14/12/01/569141201.db2.gz	IDYQRPNIHIIWAU-UHFFFAOYSA-N	-2	0	430.276	2.973	50	0		IFAARL
COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)c([N-]S(=O)(=O)C(F)F)c1	ZINC000095448004	569367512	/nfs/dbraw/zinc/36/75/12/569367512.db2.gz	XEUWTUPUUNHUEY-UHFFFAOYSA-N	-2	0	439.462	2.746	50	0		IFAARL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(Br)cn2c1=O	ZINC000096221116	569386941	/nfs/dbraw/zinc/38/69/41/569386941.db2.gz	QGAKXUOBRSGBMY-ZDUSSCGKSA-N	-2	0	447.241	2.556	50	0		IFAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1OC	ZINC000021633064	521934154	/nfs/dbraw/zinc/93/41/54/521934154.db2.gz	FANPEPATXVREHD-ZZXKWVIFSA-N	-2	0	443.380	2.924	50	0		IFAARL
O=C([O-])/C=C/c1cc(Br)cc(I)c1OCC(=O)[O-]	ZINC000022077361	527544945	/nfs/dbraw/zinc/54/49/45/527544945.db2.gz	DCSATGWJDWJKQP-OWOJBTEDSA-N	-2	0	426.988	2.615	50	0		IFAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000097601692	556274826	/nfs/dbraw/zinc/27/48/26/556274826.db2.gz	DKGNIHAOTKJSCU-GJZGRUSLSA-N	-2	0	432.498	2.743	50	0		IFAARL
O=C(c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2)c1ccc2ccccc2n1	ZINC000016034323	556577394	/nfs/dbraw/zinc/57/73/94/556577394.db2.gz	UGDMUQYECPGTMW-AEFFLSMTSA-N	-2	0	438.365	2.954	50	0		IFAARL
O=C([O-])CSc1nc(SCC(=O)[O-])c(-c2ccccc2)c(SCC(=O)[O-])n1	ZINC000019911893	556943338	/nfs/dbraw/zinc/94/33/38/556943338.db2.gz	DTPOCAGCYGTSTB-UHFFFAOYSA-N	-3	0	426.497	2.674	50	0		IFAARL
COc1ccccc1-n1c(O)c2[n-][n-]c(C(=O)C(c3ccccc3)c3ccccc3)c-2c1=O	ZINC000101363257	557277185	/nfs/dbraw/zinc/27/71/85/557277185.db2.gz	GCXHKNRHZSTLPF-JTHBVZDNSA-N	-2	0	439.471	2.914	50	0		IFAARL
COc1cc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(C(=O)[O-])cc1OC	ZINC000002130345	562925955	/nfs/dbraw/zinc/92/59/55/562925955.db2.gz	WSTDWYLHWCKFQQ-INIZCTEOSA-N	-2	0	427.413	2.701	50	0		IFAARL
CCOC(=O)[C@@H]1CCCN(c2ncc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2C)C1	ZINC000064843682	568971576	/nfs/dbraw/zinc/97/15/76/568971576.db2.gz	JUNXZSPBWZWFET-OAHLLOKOSA-N	-2	0	447.513	2.669	50	0		IFAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C)C2)c1	ZINC000064843818	568971856	/nfs/dbraw/zinc/97/18/56/568971856.db2.gz	LSSOHJFBVDVKHN-CYBMUJFWSA-N	-2	0	435.502	2.834	50	0		IFAARL
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000036610971	569123453	/nfs/dbraw/zinc/12/34/53/569123453.db2.gz	PCUGRWYXNUQSFH-KGLIPLIRSA-N	-2	0	436.877	2.536	50	0		IFAARL
O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000009882908	569149850	/nfs/dbraw/zinc/14/98/50/569149850.db2.gz	MCUPKZJSXATKFR-UHFFFAOYSA-N	-2	0	444.918	2.624	50	0		IFAARL
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1OC	ZINC000096405148	569400638	/nfs/dbraw/zinc/40/06/38/569400638.db2.gz	BTQKQKUHNARMIX-HJWRWDBZSA-N	-2	0	446.481	2.729	50	0		IFAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)[n-]c1=O	ZINC000012347398	527603316	/nfs/dbraw/zinc/60/33/16/527603316.db2.gz	BNSCLMOMFLNOOP-UHFFFAOYSA-N	-2	0	426.454	2.705	50	0		IFAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)c1	ZINC000013032558	556442894	/nfs/dbraw/zinc/44/28/94/556442894.db2.gz	UNTVJIJFVLEQBH-ZDUSSCGKSA-N	-2	0	438.889	2.748	50	0		IFAARL
COc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Br)c2C(=O)[O-])cc1OC	ZINC000072301093	557221253	/nfs/dbraw/zinc/22/12/53/557221253.db2.gz	OQZBGFVUJOHYEO-UHFFFAOYSA-N	-2	0	446.275	2.974	50	0		IFAARL
COC(=O)c1[n-]n(-c2cccc3ccccc32)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000009075402	562966853	/nfs/dbraw/zinc/96/68/53/562966853.db2.gz	MVWMIPNHUXMCRQ-PZJWPPBQSA-N	-2	0	429.432	2.756	50	0		IFAARL
CCO[P@](=O)([O-])c1ccccc1OCCOc1ccccc1[P@@](=O)([O-])OCC	ZINC000009302584	562969070	/nfs/dbraw/zinc/96/90/70/562969070.db2.gz	WGFZASSLNBYRBE-UHFFFAOYSA-N	-2	0	430.330	2.839	50	0		IFAARL
COc1cc(Br)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-]	ZINC000083915574	568785493	/nfs/dbraw/zinc/78/54/93/568785493.db2.gz	KOAYWFDWDSCXEU-UHFFFAOYSA-N	-2	0	448.222	2.794	50	0		IFAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1OC	ZINC000013032208	568904402	/nfs/dbraw/zinc/90/44/02/568904402.db2.gz	BTQKQKUHNARMIX-CMDGGOBGSA-N	-2	0	446.481	2.729	50	0		IFAARL
O=C([O-])c1cnc(N2CCOCC2)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1	ZINC000064844060	568971873	/nfs/dbraw/zinc/97/18/73/568971873.db2.gz	PUEFWHAVBBPFGA-UHFFFAOYSA-N	-2	0	432.285	2.724	50	0		IFAARL
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036359336	569085636	/nfs/dbraw/zinc/08/56/36/569085636.db2.gz	USORUPPNRFSOHO-IBGZPJMESA-N	-2	0	449.479	2.934	50	0		IFAARL
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)s1	ZINC000003991772	569457488	/nfs/dbraw/zinc/45/74/88/569457488.db2.gz	CVHPCKIWGNBWII-UHFFFAOYSA-N	-2	0	432.483	2.852	50	0		IFAARL
O=S(=O)([N-][N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(-c2ccccn2)s1	ZINC000006059128	556073145	/nfs/dbraw/zinc/07/31/45/556073145.db2.gz	FLXIEUUMTNTJGU-UHFFFAOYSA-N	-2	0	429.932	2.635	50	0		IFAARL
COc1ccccc1-n1c(O)c2[n-][n-]c(C(=O)C(c3ccccc3)c3ccccc3)c-2c1=O	ZINC000100672114	556642593	/nfs/dbraw/zinc/64/25/93/556642593.db2.gz	GCXHKNRHZSTLPF-GGAORHGYSA-N	-2	0	439.471	2.914	50	0		IFAARL
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000058369909	556783483	/nfs/dbraw/zinc/78/34/83/556783483.db2.gz	ITRHSFZMVMCRCM-UHFFFAOYSA-N	-2	0	447.250	2.728	50	0		IFAARL
COc1cccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)c1	ZINC000101362884	557276983	/nfs/dbraw/zinc/27/69/83/557276983.db2.gz	JFMIAKKZSCAQJI-GMAHTHKFSA-N	-2	0	439.471	2.914	50	0		IFAARL
COCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000170592910	569141145	/nfs/dbraw/zinc/14/11/45/569141145.db2.gz	RWICPSNDWMFVBT-UHFFFAOYSA-N	-2	0	430.276	2.973	50	0		IFAARL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(Br)cn2c1=O	ZINC000096221118	569386897	/nfs/dbraw/zinc/38/68/97/569386897.db2.gz	QGAKXUOBRSGBMY-CYBMUJFWSA-N	-2	0	447.241	2.556	50	0		IFAARL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O	ZINC000096232264	569387723	/nfs/dbraw/zinc/38/77/23/569387723.db2.gz	BAXLEZFKZWUGKU-ZDUSSCGKSA-N	-2	0	436.342	2.812	50	0		IFAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1OC	ZINC000012775240	521934679	/nfs/dbraw/zinc/93/46/79/521934679.db2.gz	FBPKJXODAKEERO-CMDGGOBGSA-N	-2	0	429.454	2.788	50	0		IFAARL
COC(=O)[C@H](Cc1cc(Br)c([O-])c(Br)c1)[N-]C(=O)C(F)(F)F	ZINC000002576315	555788201	/nfs/dbraw/zinc/78/82/01/555788201.db2.gz	UXZAEOXFCAKKTD-QMMMGPOBSA-N	-2	0	449.017	2.680	50	0		IFAARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc(C(=O)[O-])c1	ZINC000002862587	555845769	/nfs/dbraw/zinc/84/57/69/555845769.db2.gz	OQDLKUMRINSFQE-UHFFFAOYSA-N	-2	0	434.360	2.725	50	0		IFAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)c1C	ZINC000013032598	556442886	/nfs/dbraw/zinc/44/28/86/556442886.db2.gz	FBNIEKKQVJRICV-MRXNPFEDSA-N	-2	0	432.498	2.711	50	0		IFAARL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(=O)nc2ccc(C(F)(F)F)cn2c1[O-]	ZINC000206052018	556637238	/nfs/dbraw/zinc/63/72/38/556637238.db2.gz	PSXSRTNUDKXPCH-ZDUSSCGKSA-N	-2	0	436.342	2.812	50	0		IFAARL
CCOC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)cc2)n1	ZINC000058006527	556752552	/nfs/dbraw/zinc/75/25/52/556752552.db2.gz	KQCRVFBEPXWZSX-UHFFFAOYSA-N	-2	0	445.453	2.557	50	0		IFAARL
O=C(c1[n-][n-]c2c(O)n(-c3ccccc3C(F)(F)F)c(=O)c1-2)c1ccc2ccccc2n1	ZINC000018153132	557243854	/nfs/dbraw/zinc/24/38/54/557243854.db2.gz	RIJCPJYQLUYCDK-AEFFLSMTSA-N	-2	0	438.365	2.954	50	0		IFAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156119	568848237	/nfs/dbraw/zinc/84/82/37/568848237.db2.gz	SILUVYOYOLFCJQ-SJORKVTESA-N	-2	0	432.502	2.724	50	0		IFAARL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)c2ccc(F)cc21	ZINC000036358977	569085521	/nfs/dbraw/zinc/08/55/21/569085521.db2.gz	FNHOQKVDHFJFQD-FQEVSTJZSA-N	-2	0	431.489	2.870	50	0		IFAARL
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1OC	ZINC000021633083	521935323	/nfs/dbraw/zinc/93/53/23/521935323.db2.gz	KBYYMVTVMOVUHD-MDZDMXLPSA-N	-2	0	446.481	2.729	50	0		IFAARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2nccs2)C3=O)cc(C(=O)[O-])c1	ZINC000020493893	526351070	/nfs/dbraw/zinc/35/10/70/526351070.db2.gz	NPRZGVODMJAATN-UHFFFAOYSA-N	-2	0	437.389	2.592	50	0		IFAARL
Cc1nc(SCC(=O)Nc2ccccc2Br)[nH]c(=O)c1CCC(=O)[O-]	ZINC000013447665	556064247	/nfs/dbraw/zinc/06/42/47/556064247.db2.gz	OJVQXAZJUIMRLO-UHFFFAOYSA-N	-2	0	426.292	2.589	50	0		IFAARL
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N(C)C	ZINC000032592563	556407005	/nfs/dbraw/zinc/40/70/05/556407005.db2.gz	MQMVWFIHWAYCRZ-WEVVVXLNSA-N	-2	0	438.889	2.949	50	0		IFAARL
O=C([O-])c1cc(C(c2ccc(O)c(C(=O)[O-])c2)=C2CCC(=O)[C@@H](C(=O)[O-])C2)ccc1O	ZINC000004529298	556415907	/nfs/dbraw/zinc/41/59/07/556415907.db2.gz	BWIVUOSTPYEJJO-HNNXBMFYSA-N	-3	0	426.377	2.750	50	0		IFAARL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000032962221	556580658	/nfs/dbraw/zinc/58/06/58/556580658.db2.gz	GHMDWMHHVLGBIB-UHFFFAOYSA-N	-2	0	426.878	2.684	50	0		IFAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1N1CCOCC1	ZINC000032962215	556580687	/nfs/dbraw/zinc/58/06/87/556580687.db2.gz	BKSWGJQTSQTSED-UHFFFAOYSA-N	-2	0	447.332	2.846	50	0		IFAARL
C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000001737611	568889333	/nfs/dbraw/zinc/88/93/33/568889333.db2.gz	KITDQPUUEZXMSZ-FZKQIMNGSA-N	-2	0	439.420	2.662	50	0		IFAARL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)c2ccc(F)cc21	ZINC000036358978	569085509	/nfs/dbraw/zinc/08/55/09/569085509.db2.gz	FNHOQKVDHFJFQD-HXUWFJFHSA-N	-2	0	431.489	2.870	50	0		IFAARL
Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1	ZINC000040152681	569493467	/nfs/dbraw/zinc/49/34/67/569493467.db2.gz	CLEXJQNDKARAAC-UHFFFAOYSA-N	-2	0	448.526	2.709	50	0		IFAARL
CCn1cc(N(Cc2ccccc2Cl)C(=O)c2c(C(=O)[O-])cnn2C)c(C(=O)[O-])n1	ZINC000020615823	523399397	/nfs/dbraw/zinc/39/93/97/523399397.db2.gz	JKFXFMSPANWSRO-UHFFFAOYSA-N	-2	0	431.836	2.533	50	0		IFAARL
O=C([O-])CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[n-]c1=O	ZINC000012347408	527602951	/nfs/dbraw/zinc/60/29/51/527602951.db2.gz	PSSSMJPZUZREGQ-UHFFFAOYSA-N	-2	0	436.799	2.585	50	0		IFAARL
O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccc(O)c(C(=O)[O-])c2)C3=O)cc1	ZINC000002409493	555776756	/nfs/dbraw/zinc/77/67/56/555776756.db2.gz	ZVUMBIOJCACOEG-UHFFFAOYSA-N	-2	0	431.356	2.820	50	0		IFAARL
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000013544868	556513869	/nfs/dbraw/zinc/51/38/69/556513869.db2.gz	ODDGKRLAJYZJTF-VGOFMYFVSA-N	-2	0	447.241	2.915	50	0		IFAARL
CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c(C)c2oc1=O	ZINC000011866812	556667063	/nfs/dbraw/zinc/66/70/63/556667063.db2.gz	DEQQLBLPCLYGMH-KRWDZBQOSA-N	-2	0	447.484	2.956	50	0		IFAARL
Cc1oc2c(cc3c(C)c(CCC(=O)N(CC(=O)[O-])CC(=O)[O-])c(=O)oc3c2C)c1C	ZINC000002108368	569181677	/nfs/dbraw/zinc/18/16/77/569181677.db2.gz	CQDLYGULMPDHJK-UHFFFAOYSA-N	-2	0	429.425	2.703	50	0		IFAARL
O=C([O-])CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000095424992	569365899	/nfs/dbraw/zinc/36/58/99/569365899.db2.gz	VCIQHQUZRVTXPR-UHFFFAOYSA-N	-2	0	435.458	2.770	50	0		IFAARL
O=C([O-])/C(=C\c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])o1)NC(=O)c1ccccc1	ZINC000039932583	569482073	/nfs/dbraw/zinc/48/20/73/569482073.db2.gz	RIFKROOGTUZXGG-IWGRKNQJSA-N	-2	0	446.415	2.991	50	0		IFAARL
COc1ccccc1-n1c(O)c2[n-][n-]c(C(=O)C(c3ccccc3)c3ccccc3)c-2c1=O	ZINC000012320935	524535014	/nfs/dbraw/zinc/53/50/14/524535014.db2.gz	GCXHKNRHZSTLPF-FYYLOGMGSA-N	-2	0	439.471	2.914	50	0		IFAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)c1C	ZINC000013032596	556442997	/nfs/dbraw/zinc/44/29/97/556442997.db2.gz	FBNIEKKQVJRICV-INIZCTEOSA-N	-2	0	432.498	2.711	50	0		IFAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCN(c2ccccn2)CC1	ZINC000032961643	556575093	/nfs/dbraw/zinc/57/50/93/556575093.db2.gz	QSABFGKOMSNWPJ-UHFFFAOYSA-N	-2	0	444.538	2.969	50	0		IFAARL
COc1cccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)c1	ZINC000016034549	556577409	/nfs/dbraw/zinc/57/74/09/556577409.db2.gz	JFMIAKKZSCAQJI-FYYLOGMGSA-N	-2	0	439.471	2.914	50	0		IFAARL
COc1cccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)c1	ZINC000016034548	556577429	/nfs/dbraw/zinc/57/74/29/556577429.db2.gz	JFMIAKKZSCAQJI-JTHBVZDNSA-N	-2	0	439.471	2.914	50	0		IFAARL
CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])c(F)c1	ZINC000058173793	556768928	/nfs/dbraw/zinc/76/89/28/556768928.db2.gz	QSDDHGNDWMCIIY-UHFFFAOYSA-N	-2	0	438.458	2.849	50	0		IFAARL
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccs2)CC1	ZINC000085593029	557167923	/nfs/dbraw/zinc/16/79/23/557167923.db2.gz	BBGQSYGLOXXANW-UHFFFAOYSA-N	-2	0	439.515	2.526	50	0		IFAARL
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(O)c12	ZINC000100224936	557249222	/nfs/dbraw/zinc/24/92/22/557249222.db2.gz	ZMKUUKJPBNPUNJ-SJLPKXTDSA-N	-2	0	427.844	2.646	50	0		IFAARL
COc1ccccc1-n1c(O)c2[n-][n-]c(C(=O)C(c3ccccc3)c3ccccc3)c-2c1=O	ZINC000101363256	557277140	/nfs/dbraw/zinc/27/71/40/557277140.db2.gz	GCXHKNRHZSTLPF-GMAHTHKFSA-N	-2	0	439.471	2.914	50	0		IFAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000009704469	562975633	/nfs/dbraw/zinc/97/56/33/562975633.db2.gz	MWUXRFKCNQQTIJ-UHFFFAOYSA-N	-2	0	444.918	2.624	50	0		IFAARL
N=C([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ncc(C(F)(F)F)cc1Cl	ZINC000261494989	568735027	/nfs/dbraw/zinc/73/50/27/568735027.db2.gz	AKPFWQRITVYBJY-UHFFFAOYSA-N	-2	0	425.747	2.895	50	0		IFAARL
Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc12	ZINC000002098577	569179454	/nfs/dbraw/zinc/17/94/54/569179454.db2.gz	TYXJXETWIBYAQJ-SFHVURJKSA-N	-2	0	425.437	2.566	50	0		IFAARL
O=S(=O)([N-]c1ccccn1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1	ZINC000095469820	569371709	/nfs/dbraw/zinc/37/17/09/569371709.db2.gz	XUJVKTMXNPPUAY-UHFFFAOYSA-N	-2	0	425.438	2.961	50	0		IFAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1	ZINC000035397330	524882553	/nfs/dbraw/zinc/88/25/53/524882553.db2.gz	YQOYEQNSKYTXDR-UHFFFAOYSA-N	-2	0	435.502	2.834	50	0		IFAARL
CSCC[C@H](NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]	ZINC000012296921	525588022	/nfs/dbraw/zinc/58/80/22/525588022.db2.gz	KAASLVRNIIZCIU-HNNXBMFYSA-N	-2	0	443.477	2.867	50	0		IFAARL
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000002988028	555874528	/nfs/dbraw/zinc/87/45/28/555874528.db2.gz	ODDGKRLAJYZJTF-AUWJEWJLSA-N	-2	0	447.241	2.915	50	0		IFAARL
COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1cccc(C(=O)[O-])c1	ZINC000013544866	556513976	/nfs/dbraw/zinc/51/39/76/556513976.db2.gz	JSNKWIHGHGUCHB-VGOFMYFVSA-N	-2	0	447.241	2.915	50	0		IFAARL
COc1cccc(-n2c(O)c3[n-][n-]c(C(=O)C(c4ccccc4)c4ccccc4)c-3c2=O)c1	ZINC000100707151	556655613	/nfs/dbraw/zinc/65/56/13/556655613.db2.gz	JFMIAKKZSCAQJI-GGAORHGYSA-N	-2	0	439.471	2.914	50	0		IFAARL
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000011865584	556665269	/nfs/dbraw/zinc/66/52/69/556665269.db2.gz	MGNPLPPZHVAOMF-MRXNPFEDSA-N	-2	0	431.828	2.521	50	0		IFAARL
CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)cn1	ZINC000017100294	556665448	/nfs/dbraw/zinc/66/54/48/556665448.db2.gz	YQTAJSCDYYAFPZ-UHFFFAOYSA-N	-2	0	436.515	2.513	50	0		IFAARL
O=C(/C=C/c1ccccc1)Oc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])ccc21	ZINC000019881250	556937409	/nfs/dbraw/zinc/93/74/09/556937409.db2.gz	OBXQVOFKTLTRGW-RMKNXTFCSA-N	-2	0	434.447	2.952	50	0		IFAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000025526784	557213112	/nfs/dbraw/zinc/21/31/12/557213112.db2.gz	DKGNIHAOTKJSCU-GASCZTMLSA-N	-2	0	432.498	2.743	50	0		IFAARL
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036353274	569083976	/nfs/dbraw/zinc/08/39/76/569083976.db2.gz	XBMMKEWWGPGDJR-GOSISDBHSA-N	-2	0	435.452	2.543	50	0		IFAARL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O	ZINC000096232265	569387696	/nfs/dbraw/zinc/38/76/96/569387696.db2.gz	BAXLEZFKZWUGKU-CYBMUJFWSA-N	-2	0	436.342	2.812	50	0		IFAARL
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccccc1OCC(=O)[O-]	ZINC000218088997	569456264	/nfs/dbraw/zinc/45/62/64/569456264.db2.gz	MBZPLSHHTKFPOH-CYBMUJFWSA-N	-2	0	438.388	2.914	50	0		IFAARL
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccccc1OCC(=O)[O-]	ZINC000218088910	569456274	/nfs/dbraw/zinc/45/62/74/569456274.db2.gz	MBZPLSHHTKFPOH-ZDUSSCGKSA-N	-2	0	438.388	2.914	50	0		IFAARL
O=C([O-])/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])o1)NC(=O)c1ccccc1	ZINC000039932582	569482045	/nfs/dbraw/zinc/48/20/45/569482045.db2.gz	RIFKROOGTUZXGG-LRVMPXQBSA-N	-2	0	446.415	2.991	50	0		IFAARL
O=C([O-])/C(=C/c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])o1)NC(=O)c1ccccc1	ZINC000039932584	569482068	/nfs/dbraw/zinc/48/20/68/569482068.db2.gz	RIFKROOGTUZXGG-AXPXABNXSA-N	-2	0	446.415	2.991	50	0		IFAARL
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCCO2	ZINC000012541864	523506949	/nfs/dbraw/zinc/50/69/49/523506949.db2.gz	LILGXIPYSBNVGA-UHFFFAOYSA-N	-2	0	444.259	2.728	50	0		IFAARL
O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c([O-])c(S(=O)(=O)c1ccccc1)c2=O	ZINC000020529999	526739234	/nfs/dbraw/zinc/73/92/34/526739234.db2.gz	TYBMXCRCNQAABV-UHFFFAOYSA-N	-2	0	434.473	2.997	50	0		IFAARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)n1	ZINC000000704267	555544296	/nfs/dbraw/zinc/54/42/96/555544296.db2.gz	ASNQBPSYZGXIDK-UHFFFAOYSA-N	-2	0	426.454	2.845	50	0		IFAARL
O=C([O-])c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)cc1	ZINC000003129995	555890191	/nfs/dbraw/zinc/89/01/91/555890191.db2.gz	YHPUOYIGPPMSRM-UHFFFAOYSA-N	-2	0	446.458	2.749	50	0		IFAARL
CSCC[C@@H](NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]	ZINC000020426557	557015479	/nfs/dbraw/zinc/01/54/79/557015479.db2.gz	KAASLVRNIIZCIU-OAHLLOKOSA-N	-2	0	443.477	2.867	50	0		IFAARL
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc(OC)cc3)c(O)c12	ZINC000100224941	557249262	/nfs/dbraw/zinc/24/92/62/557249262.db2.gz	ZMKUUKJPBNPUNJ-WMZOPIPTSA-N	-2	0	427.844	2.646	50	0		IFAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156120	568848196	/nfs/dbraw/zinc/84/81/96/568848196.db2.gz	SILUVYOYOLFCJQ-IRXDYDNUSA-N	-2	0	432.502	2.724	50	0		IFAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)nc(C)n1	ZINC000006156122	568848263	/nfs/dbraw/zinc/84/82/63/568848263.db2.gz	SILUVYOYOLFCJQ-DLBZAZTESA-N	-2	0	432.502	2.724	50	0		IFAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2)no1	ZINC000009187802	569510454	/nfs/dbraw/zinc/51/04/54/569510454.db2.gz	VBMZQDLNEPWZPB-KRWDZBQOSA-N	-2	0	444.469	2.601	50	0		IFAARL
CCO[P@](=O)([O-])c1ccccc1NCCNc1ccccc1[P@@](=O)([O-])OCC	ZINC000009354916	569525163	/nfs/dbraw/zinc/52/51/63/569525163.db2.gz	KLUSQVIDIKLAQL-UHFFFAOYSA-N	-2	0	428.362	2.905	50	0		IFAARL