smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1N1C(=O)c2ccccc2C1=O	ZINC000008417697	556167745	/nfs/dbraw/zinc/16/77/45/556167745.db2.gz	OHPPTXJPQLIMJI-UHFFFAOYSA-N	-2	0	444.399	3.444	50	0		IGAARL
O=C(c1[n-][n-]c2c(O)n(-c3cccc(F)c3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000016034527	556577437	/nfs/dbraw/zinc/57/74/37/556577437.db2.gz	LCVHSTJDFPPEGS-IRLDBZIGSA-N	-2	0	427.435	3.044	50	0		IGAARL
CCOC(=O)[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)[O-])C1	ZINC000032962055	556580114	/nfs/dbraw/zinc/58/01/14/556580114.db2.gz	WGEYBYDQKNBFIW-CYBMUJFWSA-N	-2	0	438.527	3.027	50	0		IGAARL
O=C([O-])[C@H]1CCCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)C1	ZINC000011866158	556666024	/nfs/dbraw/zinc/66/60/24/556666024.db2.gz	MMQZHUGLNQXBLS-AWEZNQCLSA-N	-2	0	445.522	3.034	50	0		IGAARL
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-]	ZINC000170596545	569142040	/nfs/dbraw/zinc/14/20/40/569142040.db2.gz	FKIAGKOKPPRNNU-UHFFFAOYSA-N	-2	0	430.324	3.115	50	0		IGAARL
O=C([O-])c1ccc(CN2C(=O)c3ccc(C(=O)c4ccc(C(=O)[O-])cc4)cc3C2=O)cc1	ZINC000001210091	555681956	/nfs/dbraw/zinc/68/19/56/555681956.db2.gz	VZTMSMZWWVWSSB-UHFFFAOYSA-N	-2	0	429.384	3.110	50	0		IGAARL
O=C([O-])c1cc(NC(=O)Cc2ccccc2)c(C(=O)[O-])cc1NC(=O)Cc1ccccc1	ZINC000009310951	556279263	/nfs/dbraw/zinc/27/92/63/556279263.db2.gz	OJVKDQBWFVOYFA-UHFFFAOYSA-N	-2	0	432.432	3.445	50	0		IGAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC(C)CC2)c1	ZINC000033253885	556894292	/nfs/dbraw/zinc/89/42/92/556894292.db2.gz	MQMKRTHALSNCFC-UHFFFAOYSA-N	-2	0	434.514	3.439	50	0		IGAARL
COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(F)c(OC(C)(C)C)cc1C(=O)[O-]	ZINC000072301091	557220776	/nfs/dbraw/zinc/22/07/76/557220776.db2.gz	MTGWAJGVUDMNTG-UHFFFAOYSA-N	-2	0	431.463	3.350	50	0		IGAARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c1	ZINC000013146575	562985387	/nfs/dbraw/zinc/98/53/87/562985387.db2.gz	DRCSRGIVTNLOSF-VCHYOVAHSA-N	-2	0	432.413	3.113	50	0		IGAARL
O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N[C@H](C(=O)[O-])c1ccccc1	ZINC000036584719	569119947	/nfs/dbraw/zinc/11/99/47/569119947.db2.gz	WPHGWZQFWCFHAO-DEOSSOPVSA-N	-2	0	445.427	3.487	50	0		IGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)cnc1N1CCCC1	ZINC000035397455	526352161	/nfs/dbraw/zinc/35/21/61/526352161.db2.gz	ORUFGGYORDCDIG-UHFFFAOYSA-N	-2	0	432.321	3.005	50	0		IGAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCCC2)ccc1F	ZINC000032932336	526355794	/nfs/dbraw/zinc/35/57/94/526355794.db2.gz	NOVXJKYAFHVNFR-UHFFFAOYSA-N	-2	0	426.853	3.214	50	0		IGAARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c1	ZINC000008746699	556210075	/nfs/dbraw/zinc/21/00/75/556210075.db2.gz	DULRDDXERHLPJT-UHFFFAOYSA-N	-2	0	440.433	3.167	50	0		IGAARL
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N(C)Cc2ccccc2)cc1	ZINC000064843748	556504155	/nfs/dbraw/zinc/50/41/55/556504155.db2.gz	QGODQPGURORPJN-UHFFFAOYSA-N	-2	0	439.493	3.420	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101138699	557261824	/nfs/dbraw/zinc/26/18/24/557261824.db2.gz	ZRHQREHRPPFCNI-MJGOQNOKSA-N	-2	0	425.872	3.254	50	0		IGAARL
O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)c2)c1	ZINC000003146684	562932561	/nfs/dbraw/zinc/93/25/61/562932561.db2.gz	IFXFPSSVEWRRPC-UHFFFAOYSA-N	-2	0	440.433	3.136	50	0		IGAARL
COc1cc(/C=C2\SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)ccc1OCC(=O)[O-]	ZINC000010059352	569152229	/nfs/dbraw/zinc/15/22/29/569152229.db2.gz	KCHKLKYRGUUEPI-MFOYZWKCSA-N	-2	0	443.433	3.093	50	0		IGAARL
CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC)O[C@@H](C)C2	ZINC000022244917	520796119	/nfs/dbraw/zinc/79/61/19/520796119.db2.gz	WKZMYOMQBZVZIM-CFNZNRNTSA-N	-2	0	433.482	3.316	50	0		IGAARL
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000012584128	524646001	/nfs/dbraw/zinc/64/60/01/524646001.db2.gz	PZMMKYOSIMVMAG-UHFFFAOYSA-N	-2	0	426.450	3.447	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101138703	557261818	/nfs/dbraw/zinc/26/18/18/557261818.db2.gz	ZRHQREHRPPFCNI-PKOBYXMFSA-N	-2	0	425.872	3.254	50	0		IGAARL
COc1ccc(S(=O)(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000008826156	562964493	/nfs/dbraw/zinc/96/44/93/562964493.db2.gz	PZXUDRUNWZMPHF-UHFFFAOYSA-N	-2	0	447.490	3.027	50	0		IGAARL
COc1ccc([N-]S(=O)(=O)c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)nn1	ZINC000037623980	569257774	/nfs/dbraw/zinc/25/77/74/569257774.db2.gz	YFUATOCFMCWUEH-UHFFFAOYSA-N	-2	0	429.414	3.105	50	0		IGAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl)OCCO2	ZINC000012763918	526356944	/nfs/dbraw/zinc/35/69/44/526356944.db2.gz	GQVPMQUQCDSPPZ-UHFFFAOYSA-N	-2	0	448.678	3.373	50	0		IGAARL
CCOC(=O)c1sc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])c(C(=O)OCC)c1C	ZINC000002933459	555864433	/nfs/dbraw/zinc/86/44/33/555864433.db2.gz	DKKRTROMMRWVRR-UHFFFAOYSA-N	-2	0	449.437	3.059	50	0		IGAARL
O=S(=O)([N-]c1nccs1)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1	ZINC000013948169	556343791	/nfs/dbraw/zinc/34/37/91/556343791.db2.gz	DNWDNHBYIQLXNH-UHFFFAOYSA-N	-2	0	431.467	3.023	50	0		IGAARL
O=C([O-])c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1	ZINC000003146868	557144608	/nfs/dbraw/zinc/14/46/08/557144608.db2.gz	FPWZBBOLENCORM-FTUOTLPMSA-N	-2	0	439.423	3.020	50	0		IGAARL
Cc1[n-]n(-c2ccccn2)c(=O)c1C(c1c(C)[n-]n(-c2ccccn2)c1=O)c1ccccc1	ZINC000137156004	568739165	/nfs/dbraw/zinc/73/91/65/568739165.db2.gz	QDSYVWCNYVZIQK-UHFFFAOYSA-N	-2	0	438.491	3.232	50	0		IGAARL
COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c([O-])nc2ccccn2c1=O	ZINC000096115458	569383306	/nfs/dbraw/zinc/38/33/06/569383306.db2.gz	YQWIFJRAAWHBHI-OAHLLOKOSA-N	-2	0	434.404	3.053	50	0		IGAARL
O=C(COc1ccccc1P(=O)([O-])[O-])N(CCc1ccccc1)Cc1ccccc1	ZINC000009183850	569509864	/nfs/dbraw/zinc/50/98/64/569509864.db2.gz	PWHOAVWZNZSHNA-UHFFFAOYSA-N	-2	0	425.421	3.140	50	0		IGAARL
COc1cc(OC)c(S(=O)(=O)[N-]c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000008834292	556225786	/nfs/dbraw/zinc/22/57/86/556225786.db2.gz	MMBHRFGGSCSQEW-UHFFFAOYSA-N	-2	0	448.522	3.305	50	0		IGAARL
O=C([O-])c1cc(C(=O)[O-])c2cc(Oc3ccc4nc(C(=O)[O-])cc(C(=O)[O-])c4c3)ccc2n1	ZINC000016133884	556584883	/nfs/dbraw/zinc/58/48/83/556584883.db2.gz	RHHJOVYNQBHFTC-UHFFFAOYSA-N	-4	0	448.343	3.368	50	0		IGAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000009562881	569547388	/nfs/dbraw/zinc/54/73/88/569547388.db2.gz	CTWOEOAUDDHXLU-UHFFFAOYSA-N	-2	0	436.486	3.436	50	0		IGAARL
Cn1cc(C(=O)[O-])c(-c2ccc([N-]S(=O)(=O)c3ccccc3OC(F)(F)F)cc2)n1	ZINC000048374790	557077114	/nfs/dbraw/zinc/07/71/14/557077114.db2.gz	VECXRHUGBTVIHS-UHFFFAOYSA-N	-2	0	441.387	3.485	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000017857652	557126242	/nfs/dbraw/zinc/12/62/42/557126242.db2.gz	ZRHQREHRPPFCNI-HKUYNNGSSA-N	-2	0	425.872	3.254	50	0		IGAARL
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C(F)(F)F)c1	ZINC000014205458	556392753	/nfs/dbraw/zinc/39/27/53/556392753.db2.gz	RBIBOTZLTXUODN-UHFFFAOYSA-N	-2	0	430.404	3.482	50	0		IGAARL
CCOC(=O)[C@](O)(c1ccc(N(CC)C(=O)c2ccccc2C(=O)[O-])cc1)C(F)(F)F	ZINC000003099825	556520489	/nfs/dbraw/zinc/52/04/89/556520489.db2.gz	XKDGNUFSZVXYDO-HXUWFJFHSA-N	-2	0	439.386	3.365	50	0		IGAARL
O=C([O-])c1[nH]c2ccc(Br)cc2c1CCNC(=O)c1ccccc1C(=O)[O-]	ZINC000001512296	568837933	/nfs/dbraw/zinc/83/79/33/568837933.db2.gz	JPNLHIGDDCGNSU-UHFFFAOYSA-N	-2	0	431.242	3.299	50	0		IGAARL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)c2ccc(Cl)cc21	ZINC000036365565	569086852	/nfs/dbraw/zinc/08/68/52/569086852.db2.gz	HDOBVCBUROOQNI-FQEVSTJZSA-N	-2	0	447.944	3.384	50	0		IGAARL
CCCn1nc(C)cc1CN(C)c1ncc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000035397881	521669475	/nfs/dbraw/zinc/66/94/75/521669475.db2.gz	FBMGTOSFOUKNDE-UHFFFAOYSA-N	-2	0	449.558	3.193	50	0		IGAARL
COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000012557119	524042965	/nfs/dbraw/zinc/04/29/65/524042965.db2.gz	MHPSTLYGMXGUES-UHFFFAOYSA-N	-2	0	449.403	3.238	50	0		IGAARL
Cc1ccc(C(=O)[O-])cc1N1C(=O)c2ccc(C(=O)c3ccc(C(=O)[O-])cc3)cc2C1=O	ZINC000020395563	526234837	/nfs/dbraw/zinc/23/48/37/526234837.db2.gz	XYAHNOWIYRROJS-UHFFFAOYSA-N	-2	0	429.384	3.423	50	0		IGAARL
O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1cccnc1Cl)c1ccc(F)cc1	ZINC000022408505	527254991	/nfs/dbraw/zinc/25/49/91/527254991.db2.gz	UKSBZGGMAAUSHP-UHFFFAOYSA-N	-2	0	441.893	3.476	50	0		IGAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c(Br)s1	ZINC000032588986	556405139	/nfs/dbraw/zinc/40/51/39/556405139.db2.gz	RZMRORFQFYAOPV-UHFFFAOYSA-N	-2	0	442.215	3.331	50	0		IGAARL
Cn1cnc(S(=O)(=O)[N-]c2cc(F)c(OC3CCCCC3)cc2C(=O)[O-])c1Cl	ZINC000072301050	556524165	/nfs/dbraw/zinc/52/41/65/556524165.db2.gz	QWBXTJFKQMGVQI-UHFFFAOYSA-N	-2	0	431.873	3.423	50	0		IGAARL
O=C([O-])c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1	ZINC000003146866	557144679	/nfs/dbraw/zinc/14/46/79/557144679.db2.gz	FPWZBBOLENCORM-SYGLVGHYSA-N	-2	0	439.423	3.020	50	0		IGAARL
CC(C)(C)OC(=O)N[C@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	ZINC000002569781	555787923	/nfs/dbraw/zinc/78/79/23/555787923.db2.gz	FIKNCGRWSBGBKP-SNVBAGLBSA-N	-2	0	439.100	3.438	50	0		IGAARL
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)c(OC)c1	ZINC000049543417	557110542	/nfs/dbraw/zinc/11/05/42/557110542.db2.gz	JJEQIDGMKBNCDJ-OAHLLOKOSA-N	-2	0	436.420	3.365	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000018212364	557252234	/nfs/dbraw/zinc/25/22/34/557252234.db2.gz	FMAQXTRIAGZPLV-PKOBYXMFSA-N	-2	0	425.872	3.254	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134307	557261692	/nfs/dbraw/zinc/26/16/92/557261692.db2.gz	FMAQXTRIAGZPLV-MJGOQNOKSA-N	-2	0	425.872	3.254	50	0		IGAARL
COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1OC	ZINC000058364539	557812285	/nfs/dbraw/zinc/81/22/85/557812285.db2.gz	WKPADOIGOSHEQG-UHFFFAOYSA-N	-2	0	430.276	3.274	50	0		IGAARL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1	ZINC000036384704	569092936	/nfs/dbraw/zinc/09/29/36/569092936.db2.gz	NJPBDWISHYXTHO-UHFFFAOYSA-N	-2	0	438.505	3.435	50	0		IGAARL
O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000095464005	569370417	/nfs/dbraw/zinc/37/04/17/569370417.db2.gz	ZRJZMMRMAVUKBF-QGZVFWFLSA-N	-2	0	448.497	3.114	50	0		IGAARL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(Br)c1	ZINC000078938846	521530088	/nfs/dbraw/zinc/53/00/88/521530088.db2.gz	KUAPPMAUTUNQLO-UHFFFAOYSA-N	-2	0	442.287	3.433	50	0		IGAARL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)c1C	ZINC000012548614	524190171	/nfs/dbraw/zinc/19/01/71/524190171.db2.gz	ILTDZYOEPRCYPD-UHFFFAOYSA-N	-2	0	428.466	3.325	50	0		IGAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)cc([N-]S(=O)(=O)c2cccs2)c1	ZINC000003884797	555950918	/nfs/dbraw/zinc/95/09/18/555950918.db2.gz	YMKWCYZZDNTRNS-UHFFFAOYSA-N	-3	0	444.537	3.109	50	0		IGAARL
Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)ccc1Br	ZINC000097591202	556271781	/nfs/dbraw/zinc/27/17/81/556271781.db2.gz	GFQPVYPXEMFDDI-UHFFFAOYSA-N	-2	0	436.287	3.442	50	0		IGAARL
O=S(=O)([N-]c1nccs1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1	ZINC000013948168	556343751	/nfs/dbraw/zinc/34/37/51/556343751.db2.gz	NCABCLDFEXIEBF-UHFFFAOYSA-N	-2	0	431.467	3.023	50	0		IGAARL
CCc1cccc(NC(=O)CSc2[n-]c3cc(C(=O)[O-])ccc3c(=O)c2C(=O)OC)c1	ZINC000015731532	568814924	/nfs/dbraw/zinc/81/49/24/568814924.db2.gz	OAMSWEODZGXGQE-UHFFFAOYSA-N	-2	0	440.477	3.306	50	0		IGAARL
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC(C)CC2)cc1Cl	ZINC000064843710	568971532	/nfs/dbraw/zinc/97/15/32/568971532.db2.gz	XNEJLSGYSBIGTO-UHFFFAOYSA-N	-2	0	439.921	3.479	50	0		IGAARL
O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)c1	ZINC000036386264	569092922	/nfs/dbraw/zinc/09/29/22/569092922.db2.gz	FCZAYUULYOOOJY-UHFFFAOYSA-N	-2	0	430.461	3.310	50	0		IGAARL
CCN(CC)c1ncc([N-]S(=O)(=O)c2ccc(Br)s2)cc1C(=O)[O-]	ZINC000035397647	520935773	/nfs/dbraw/zinc/93/57/73/520935773.db2.gz	GTXKKVMSPBPVIP-UHFFFAOYSA-N	-2	0	434.337	3.251	50	0		IGAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(I)cc2)c1	ZINC000003226358	555903522	/nfs/dbraw/zinc/90/35/22/555903522.db2.gz	GSCDBKDBOKSHFU-UHFFFAOYSA-N	-2	0	437.642	3.444	50	0		IGAARL
CCOC(=O)[C@@](O)(c1ccc(N(CC)C(=O)c2ccccc2C(=O)[O-])cc1)C(F)(F)F	ZINC000003099826	556520474	/nfs/dbraw/zinc/52/04/74/556520474.db2.gz	XKDGNUFSZVXYDO-FQEVSTJZSA-N	-2	0	439.386	3.365	50	0		IGAARL
O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)C1	ZINC000011866157	556666019	/nfs/dbraw/zinc/66/60/19/556666019.db2.gz	MMQZHUGLNQXBLS-CQSZACIVSA-N	-2	0	445.522	3.034	50	0		IGAARL
CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000170593374	569141198	/nfs/dbraw/zinc/14/11/98/569141198.db2.gz	DDUOTOQNPKEJGE-UHFFFAOYSA-N	-2	0	444.303	3.363	50	0		IGAARL
CN(Cc1ccccc1)c1ncc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1C(=O)[O-]	ZINC000035397364	523353571	/nfs/dbraw/zinc/35/35/71/523353571.db2.gz	QYTJUTWCEDJKGM-UHFFFAOYSA-N	-2	0	433.436	3.495	50	0		IGAARL
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc(N2CCC(C)CC2)c(C(=O)[O-])c1	ZINC000035397334	524252717	/nfs/dbraw/zinc/25/27/17/524252717.db2.gz	NLUYPAMESAPISS-UHFFFAOYSA-N	-2	0	439.921	3.479	50	0		IGAARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)c1	ZINC000004174323	555972626	/nfs/dbraw/zinc/97/26/26/555972626.db2.gz	HYVXIFPZMWXDDT-LIKPIUCQSA-N	-2	0	439.423	3.480	50	0		IGAARL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)no1	ZINC000016130450	556584824	/nfs/dbraw/zinc/58/48/24/556584824.db2.gz	RNIFVRFVGXBFQR-UHFFFAOYSA-N	-2	0	433.920	3.300	50	0		IGAARL
O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1	ZINC000003146867	557144631	/nfs/dbraw/zinc/14/46/31/557144631.db2.gz	FPWZBBOLENCORM-KWUNMVGSSA-N	-2	0	439.423	3.020	50	0		IGAARL
CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC)O[C@H](C)C2	ZINC000022244915	520796548	/nfs/dbraw/zinc/79/65/48/520796548.db2.gz	WKZMYOMQBZVZIM-STMXVASLSA-N	-2	0	433.482	3.316	50	0		IGAARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc(C(=O)[O-])c1	ZINC000010060508	556324644	/nfs/dbraw/zinc/32/46/44/556324644.db2.gz	PSKBFWNAFNOXDY-UHFFFAOYSA-N	-2	0	436.420	3.264	50	0		IGAARL
O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1	ZINC000002030682	562925606	/nfs/dbraw/zinc/92/56/06/562925606.db2.gz	LRLRDCCVFFSAKO-UHFFFAOYSA-N	-2	0	440.433	3.136	50	0		IGAARL
O=C([N-]C(=O)C(F)(F)F)Oc1cc2ccccc2cc1OC(=O)[N-]C(=O)C(F)(F)F	ZINC000000934537	568638814	/nfs/dbraw/zinc/63/88/14/568638814.db2.gz	PLHCHJNCRZZRHO-UHFFFAOYSA-N	-2	0	438.236	3.194	50	0		IGAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2C)sc1C(=O)[O-]	ZINC000037043788	569139706	/nfs/dbraw/zinc/13/97/06/569139706.db2.gz	IAWVXHXVDBQKHI-UHFFFAOYSA-N	-2	0	437.280	3.469	50	0		IGAARL
CCCCOC(=O)c1ccc(NC(=O)c2c([O-])[n-]c3cc(OC)c(OC)cc3c2=O)cc1	ZINC000016977055	569168970	/nfs/dbraw/zinc/16/89/70/569168970.db2.gz	CRLYFAUTIKDGFR-UHFFFAOYSA-N	-2	0	440.452	3.460	50	0		IGAARL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(Br)c1	ZINC000012521055	521529930	/nfs/dbraw/zinc/52/99/30/521529930.db2.gz	RJKDTBJSPOOKIG-UHFFFAOYSA-N	-2	0	428.260	3.125	50	0		IGAARL
CC[C@@H](C)[C@H](NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]	ZINC000020763652	522372397	/nfs/dbraw/zinc/37/23/97/522372397.db2.gz	COPFYWOGBTWROU-DMZKTXOQSA-N	-2	0	425.437	3.160	50	0		IGAARL
O=C([O-])CCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CCC(=O)[O-])cc3o2)cc1	ZINC000002846270	555837667	/nfs/dbraw/zinc/83/76/67/555837667.db2.gz	KNTGVUPSOUVHNG-UHFFFAOYSA-N	-2	0	425.397	3.101	50	0		IGAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000016128467	556584658	/nfs/dbraw/zinc/58/46/58/556584658.db2.gz	XMMNYZOFTJFUAD-UHFFFAOYSA-N	-2	0	440.524	3.064	50	0		IGAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@@H](C)C2)c1	ZINC000033253952	556894268	/nfs/dbraw/zinc/89/42/68/556894268.db2.gz	XPTKXBORVLXZLA-CQSZACIVSA-N	-2	0	434.514	3.439	50	0		IGAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCC[C@H](C)C2)c1	ZINC000033253953	556894287	/nfs/dbraw/zinc/89/42/87/556894287.db2.gz	XPTKXBORVLXZLA-AWEZNQCLSA-N	-2	0	434.514	3.439	50	0		IGAARL
Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cnn1-c1ccccn1	ZINC000078902698	569320093	/nfs/dbraw/zinc/32/00/93/569320093.db2.gz	PESKEYNWKYESPS-UHFFFAOYSA-N	-2	0	426.376	3.094	50	0		IGAARL
Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)o1	ZINC000078517757	569586697	/nfs/dbraw/zinc/58/66/97/569586697.db2.gz	FAFNOEHBCIVTLW-UHFFFAOYSA-N	-2	0	438.259	3.307	50	0		IGAARL
O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000012297018	526945998	/nfs/dbraw/zinc/94/59/98/526945998.db2.gz	WPHGWZQFWCFHAO-XMMPIXPASA-N	-2	0	445.427	3.487	50	0		IGAARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CC3(CC(=O)[O-])CCCC3)cc2)n1	ZINC000006102595	556076607	/nfs/dbraw/zinc/07/66/07/556076607.db2.gz	KLFXAIUPIJFHAD-UHFFFAOYSA-N	-2	0	446.529	3.258	50	0		IGAARL
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CC3(C(=O)[O-])CCCCC3)cc2)c1C	ZINC000013255926	556501095	/nfs/dbraw/zinc/50/10/95/556501095.db2.gz	NMSCCPNNEMSQHB-UHFFFAOYSA-N	-2	0	435.502	3.456	50	0		IGAARL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(Br)c1	ZINC000012941323	568869972	/nfs/dbraw/zinc/86/99/72/568869972.db2.gz	NTHOHQVGDWECCS-UHFFFAOYSA-N	-2	0	446.250	3.264	50	0		IGAARL
Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000040005523	569482521	/nfs/dbraw/zinc/48/25/21/569482521.db2.gz	BSKXJORWMMIHTF-UHFFFAOYSA-N	-2	0	430.507	3.486	50	0		IGAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c1	ZINC000008746703	556210008	/nfs/dbraw/zinc/21/00/08/556210008.db2.gz	HTFWFMFDXKVICR-UHFFFAOYSA-N	-2	0	446.462	3.228	50	0		IGAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Br)OCCCO2	ZINC000012548383	526357033	/nfs/dbraw/zinc/35/70/33/526357033.db2.gz	XQNDNSDKXYMZCM-UHFFFAOYSA-N	-2	0	428.260	3.109	50	0		IGAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@@H](CC(=O)[O-])c3ccccc3)cc2)no1	ZINC000006102576	556076681	/nfs/dbraw/zinc/07/66/81/556076681.db2.gz	IWGQTYOENVVRAI-INIZCTEOSA-N	-2	0	443.481	3.371	50	0		IGAARL
COc1ccc(C(Cc2c([O-])cc(C)oc2=O)Cc2c([O-])cc(C)oc2=O)cc1OC	ZINC000016756427	556639272	/nfs/dbraw/zinc/63/92/72/556639272.db2.gz	ZZCJFWLWEQIWJA-UHFFFAOYSA-N	-2	0	428.437	3.207	50	0		IGAARL
Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)n1	ZINC000072313018	556688395	/nfs/dbraw/zinc/68/83/95/556688395.db2.gz	TYONIOYCRSTDEY-UHFFFAOYSA-N	-2	0	427.482	3.337	50	0		IGAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)ccc1Cl	ZINC000003358832	569447790	/nfs/dbraw/zinc/44/77/90/569447790.db2.gz	HYUVIKNLOIRDKK-UHFFFAOYSA-N	-2	0	434.857	3.362	50	0		IGAARL
CCOc1cc(C=NNc2cccc(C(=O)[O-])c2)c(Br)cc1OCC(=O)[O-]	ZINC000008398412	569463244	/nfs/dbraw/zinc/46/32/44/569463244.db2.gz	SNSCXQLVTZIFLD-UHFFFAOYSA-N	-2	0	437.246	3.455	50	0		IGAARL
O=C([O-])c1cc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)cc(C(=O)[O-])c1	ZINC000013341876	556502661	/nfs/dbraw/zinc/50/26/61/556502661.db2.gz	ASSMKHRUOZTGDO-UHFFFAOYSA-N	-2	0	429.479	3.307	50	0		IGAARL
COc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3C(=O)[O-])[C@@H]2C1=O	ZINC000102762439	557385211	/nfs/dbraw/zinc/38/52/11/557385211.db2.gz	PFENJNKAHWXPSP-FDFHNCONSA-N	-2	0	444.443	3.445	50	0		IGAARL
O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)c2ccc(F)cc21	ZINC000036358933	569085425	/nfs/dbraw/zinc/08/54/25/569085425.db2.gz	PPIVHLGKWQJUDW-NRFANRHFSA-N	-2	0	445.516	3.260	50	0		IGAARL
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc([O-])n(Cc2ccc(F)cc2)c1=O	ZINC000009059152	569499321	/nfs/dbraw/zinc/49/93/21/569499321.db2.gz	UVCHPTHGPXGLCG-OAQYLSRUSA-N	-2	0	434.471	3.291	50	0		IGAARL
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)cc1	ZINC000048312084	557061263	/nfs/dbraw/zinc/06/12/63/557061263.db2.gz	RPVLAKQWZRMUHF-UHFFFAOYSA-N	-2	0	431.239	3.046	50	0		IGAARL
Cc1ccc(S(=O)(=O)[N-]c2cccc(I)c2C(=O)[O-])c(F)c1	ZINC000225564723	557743285	/nfs/dbraw/zinc/74/32/85/557743285.db2.gz	IWZVHCGYTQGNGT-UHFFFAOYSA-N	-2	0	435.214	3.238	50	0		IGAARL
O=C([O-])c1ccc(S(=O)(=O)c2cc(Br)c([O-])c(Br)c2)cc1	ZINC000002566401	562928351	/nfs/dbraw/zinc/92/83/51/562928351.db2.gz	PWOOQGJCRRKDBU-UHFFFAOYSA-N	-2	0	436.077	3.448	50	0		IGAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c(OC)c1	ZINC000089434864	568924787	/nfs/dbraw/zinc/92/47/87/568924787.db2.gz	FIYXMRNQUIYXSA-UHFFFAOYSA-N	-2	0	434.239	3.104	50	0		IGAARL
COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c([O-])nc2ccccn2c1=O	ZINC000096115457	569383275	/nfs/dbraw/zinc/38/32/75/569383275.db2.gz	YQWIFJRAAWHBHI-HNNXBMFYSA-N	-2	0	434.404	3.053	50	0		IGAARL
O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc(C(=O)[O-])c2)C3=O)c1	ZINC000000754626	555553899	/nfs/dbraw/zinc/55/38/99/555553899.db2.gz	KUOYJCFZRGLATO-UHFFFAOYSA-N	-2	0	430.372	3.136	50	0		IGAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1	ZINC000000797229	555558305	/nfs/dbraw/zinc/55/83/05/555558305.db2.gz	CYEUYLPREPLYKK-UHFFFAOYSA-N	-2	0	448.522	3.305	50	0		IGAARL
O=C([O-])c1cc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc(C(=O)[O-])c1	ZINC000001199541	555677883	/nfs/dbraw/zinc/67/78/83/555677883.db2.gz	DFDHXUVLPOXWKA-UHFFFAOYSA-N	-2	0	430.372	3.136	50	0		IGAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1	ZINC000034864525	556584329	/nfs/dbraw/zinc/58/43/29/556584329.db2.gz	NYISCHGQEQZJRB-UHFFFAOYSA-N	-2	0	426.450	3.447	50	0		IGAARL
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(Br)c1	ZINC000012521303	521529760	/nfs/dbraw/zinc/52/97/60/521529760.db2.gz	MTQZZGVOCWKEER-UHFFFAOYSA-N	-2	0	428.260	3.125	50	0		IGAARL
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCO3)c(Br)c1	ZINC000012526106	525594240	/nfs/dbraw/zinc/59/42/40/525594240.db2.gz	RMEAPSKKKXWPBL-UHFFFAOYSA-N	-2	0	428.260	3.028	50	0		IGAARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1	ZINC000004174327	555972590	/nfs/dbraw/zinc/97/25/90/555972590.db2.gz	HYVXIFPZMWXDDT-UJKMTWAASA-N	-2	0	439.423	3.480	50	0		IGAARL
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccs2)CC1	ZINC000032971120	556589126	/nfs/dbraw/zinc/58/91/26/556589126.db2.gz	SCJFYPYOKUWTHW-UHFFFAOYSA-N	-2	0	438.527	3.027	50	0		IGAARL
O=C([O-])c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(=O)[O-])c(C(=O)[O-])c3)cc2)cc1	ZINC000003123153	556840627	/nfs/dbraw/zinc/84/06/27/556840627.db2.gz	GIPWXWSWIQXULY-UHFFFAOYSA-N	-3	0	442.401	3.406	50	0		IGAARL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134265	557261753	/nfs/dbraw/zinc/26/17/53/557261753.db2.gz	RTAWYOCWMFSMSA-NVXWUHKLSA-N	-2	0	432.263	3.209	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134305	557261805	/nfs/dbraw/zinc/26/18/05/557261805.db2.gz	FMAQXTRIAGZPLV-IEBWSBKVSA-N	-2	0	425.872	3.254	50	0		IGAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000108803834	557543578	/nfs/dbraw/zinc/54/35/78/557543578.db2.gz	GXSFPZFNIHKOHY-GOTSBHOMSA-N	-2	0	444.491	3.373	50	0		IGAARL
COC(=O)c1c(=O)c2ccc(C(=O)[O-])cc2[n-]c1SCC(=O)Nc1ccc(C)cc1	ZINC000015731534	568814336	/nfs/dbraw/zinc/81/43/36/568814336.db2.gz	HXMDTYICCYYSFZ-UHFFFAOYSA-N	-2	0	426.450	3.052	50	0		IGAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1	ZINC000012532629	523768331	/nfs/dbraw/zinc/76/83/31/523768331.db2.gz	BPUJOOFEBVOVQO-UHFFFAOYSA-N	-2	0	442.497	3.179	50	0		IGAARL
COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000012508160	524629248	/nfs/dbraw/zinc/62/92/48/524629248.db2.gz	IODBHVXGFRYFEW-UHFFFAOYSA-N	-2	0	426.450	3.447	50	0		IGAARL
O=C([O-])c1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)cc(C(=O)[O-])c1	ZINC000009287825	556272607	/nfs/dbraw/zinc/27/26/07/556272607.db2.gz	FUKWCWVMHIICJE-UHFFFAOYSA-N	-2	0	444.399	3.132	50	0		IGAARL
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1	ZINC000032815171	556401599	/nfs/dbraw/zinc/40/15/99/556401599.db2.gz	VHPVGLZUFINFAT-UHFFFAOYSA-N	-2	0	446.250	3.264	50	0		IGAARL
CCOC(=O)[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)[O-])C1	ZINC000032962056	556580123	/nfs/dbraw/zinc/58/01/23/556580123.db2.gz	WGEYBYDQKNBFIW-ZDUSSCGKSA-N	-2	0	438.527	3.027	50	0		IGAARL
COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1OC	ZINC000058380517	557812668	/nfs/dbraw/zinc/81/26/68/557812668.db2.gz	UULIOFLNLBGHNM-UHFFFAOYSA-N	-2	0	434.239	3.104	50	0		IGAARL
Cc1ccccc1NS(=O)(=O)c1ccc2ncc(C(=O)NCCC(C)C)c(O)c2c1	ZINC000006181468	568869090	/nfs/dbraw/zinc/86/90/90/568869090.db2.gz	LFPXVIVWBFCNGO-UHFFFAOYSA-N	-2	0	427.526	3.413	50	0		IGAARL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)c2ccc(Cl)cc21	ZINC000036365567	569086823	/nfs/dbraw/zinc/08/68/23/569086823.db2.gz	HDOBVCBUROOQNI-HXUWFJFHSA-N	-2	0	447.944	3.384	50	0		IGAARL
CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000170593372	569141189	/nfs/dbraw/zinc/14/11/89/569141189.db2.gz	KXOCNHKNHJBVOC-UHFFFAOYSA-N	-2	0	444.303	3.363	50	0		IGAARL
CCCCN(C)c1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1C(=O)[O-]	ZINC000035397261	520438551	/nfs/dbraw/zinc/43/85/51/520438551.db2.gz	JNVJODMUWRCHFM-UHFFFAOYSA-N	-2	0	427.910	3.479	50	0		IGAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)c1	ZINC000012755536	526407064	/nfs/dbraw/zinc/40/70/64/526407064.db2.gz	PSVRMTIIKZXXDX-UHFFFAOYSA-N	-2	0	436.490	3.371	50	0		IGAARL
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C[C@H](CC(=O)[O-])c3ccccc3)cc2)no1	ZINC000006102580	556076655	/nfs/dbraw/zinc/07/66/55/556076655.db2.gz	IWGQTYOENVVRAI-MRXNPFEDSA-N	-2	0	443.481	3.371	50	0		IGAARL
Cc1c2c(cc(=O)n1Cc1ccc(C(=O)[O-])cc1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000009972269	556319827	/nfs/dbraw/zinc/31/98/27/556319827.db2.gz	UFSBBXSERZQNHQ-UHFFFAOYSA-N	-2	0	432.461	3.145	50	0		IGAARL
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccccc3C(=O)[O-])cc1)C2=O	ZINC000013895182	556328550	/nfs/dbraw/zinc/32/85/50/556328550.db2.gz	NGGNBCWUSUFACM-UHFFFAOYSA-N	-2	0	430.372	3.136	50	0		IGAARL
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Br)c2O)cc1C(=O)[O-]	ZINC000079014693	556736982	/nfs/dbraw/zinc/73/69/82/556736982.db2.gz	GUDFXRNFKCRCCT-UHFFFAOYSA-N	-2	0	436.667	3.316	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134312	557261711	/nfs/dbraw/zinc/26/17/11/557261711.db2.gz	FMAQXTRIAGZPLV-HKUYNNGSSA-N	-2	0	425.872	3.254	50	0		IGAARL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101134249	557261773	/nfs/dbraw/zinc/26/17/73/557261773.db2.gz	RTAWYOCWMFSMSA-RDJZCZTQSA-N	-2	0	432.263	3.209	50	0		IGAARL
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)cc1F	ZINC000096011297	569379785	/nfs/dbraw/zinc/37/97/85/569379785.db2.gz	GSXDJTXFGICQLY-UHFFFAOYSA-N	-2	0	442.534	3.399	50	0		IGAARL
Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000008826155	569477483	/nfs/dbraw/zinc/47/74/83/569477483.db2.gz	JOXNSXHXSFXMSN-UHFFFAOYSA-N	-2	0	426.450	3.452	50	0		IGAARL
CC(C)C[C@H](NC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)C(=O)[O-]	ZINC000020763042	519384160	/nfs/dbraw/zinc/38/41/60/519384160.db2.gz	KWAMQJKXYGOFSY-INIZCTEOSA-N	-2	0	425.437	3.160	50	0		IGAARL
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000012557088	524647205	/nfs/dbraw/zinc/64/72/05/524647205.db2.gz	LEHTUUFKBUSQSO-UHFFFAOYSA-N	-2	0	426.450	3.447	50	0		IGAARL
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)c(Br)c1	ZINC000097591207	556271870	/nfs/dbraw/zinc/27/18/70/556271870.db2.gz	UZCCSVPUQJLDOW-UHFFFAOYSA-N	-2	0	436.287	3.442	50	0		IGAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccccc1	ZINC000013028940	556441691	/nfs/dbraw/zinc/44/16/91/556441691.db2.gz	KSPKUJQEVJOZIW-UHFFFAOYSA-N	-2	0	438.505	3.467	50	0		IGAARL
O=C([O-])CN1C(=O)/C(=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])SC1=S	ZINC000083328267	557057480	/nfs/dbraw/zinc/05/74/80/557057480.db2.gz	AYYZGBLLDDNXII-DHDCSXOGSA-N	-2	0	430.463	3.177	50	0		IGAARL
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)c(OC)c1	ZINC000049543415	557110460	/nfs/dbraw/zinc/11/04/60/557110460.db2.gz	JJEQIDGMKBNCDJ-HNNXBMFYSA-N	-2	0	436.420	3.365	50	0		IGAARL
O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1	ZINC000253424315	569267026	/nfs/dbraw/zinc/26/70/26/569267026.db2.gz	DJVAAQMCTZVMDY-UHFFFAOYSA-N	-2	0	430.797	3.236	50	0		IGAARL
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	ZINC000000866123	555573845	/nfs/dbraw/zinc/57/38/45/555573845.db2.gz	VASPSJMCMOPMGN-UHFFFAOYSA-N	-2	0	426.450	3.447	50	0		IGAARL
CC(C)(C)OC(=O)N[C@@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	ZINC000002555054	555787312	/nfs/dbraw/zinc/78/73/12/555787312.db2.gz	FIKNCGRWSBGBKP-JTQLQIEISA-N	-2	0	439.100	3.438	50	0		IGAARL
O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1	ZINC000002864546	555846722	/nfs/dbraw/zinc/84/67/22/555846722.db2.gz	QOVWVFHYYYYHPD-UHFFFAOYSA-N	-2	0	440.433	3.136	50	0		IGAARL
Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)cc1C(=O)[O-]	ZINC000071905875	556710691	/nfs/dbraw/zinc/71/06/91/556710691.db2.gz	MARRXEVUIJQUHU-UHFFFAOYSA-N	-2	0	436.287	3.442	50	0		IGAARL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000101138696	557261733	/nfs/dbraw/zinc/26/17/33/557261733.db2.gz	ZRHQREHRPPFCNI-IEBWSBKVSA-N	-2	0	425.872	3.254	50	0		IGAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)c(C(=O)[O-])c2)c1	ZINC000033253433	556893749	/nfs/dbraw/zinc/89/37/49/556893749.db2.gz	RIBHAIRFAOGDHM-UHFFFAOYSA-N	-2	0	434.514	3.439	50	0		IGAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)cc1OC	ZINC000095447094	569367468	/nfs/dbraw/zinc/36/74/68/569367468.db2.gz	OIXIUCVPAAAKNG-UHFFFAOYSA-N	-2	0	430.276	3.274	50	0		IGAARL
O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000000754582	555553875	/nfs/dbraw/zinc/55/38/75/555553875.db2.gz	WPTNFLHXWLUIGA-UHFFFAOYSA-N	-2	0	430.372	3.136	50	0		IGAARL
O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1	ZINC000002864593	555846762	/nfs/dbraw/zinc/84/67/62/555846762.db2.gz	OJCXQTMETLHCIQ-UHFFFAOYSA-N	-2	0	440.433	3.136	50	0		IGAARL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cncn2)cc1	ZINC000008746709	556209996	/nfs/dbraw/zinc/20/99/96/556209996.db2.gz	QODAHUZEQJKMOY-UHFFFAOYSA-N	-2	0	440.403	3.104	50	0		IGAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1-n1cccn1	ZINC000013032912	556442940	/nfs/dbraw/zinc/44/29/40/556442940.db2.gz	KVLHLWFENHUORY-UHFFFAOYSA-N	-2	0	441.387	3.399	50	0		IGAARL
O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1	ZINC000003146869	557144655	/nfs/dbraw/zinc/14/46/55/557144655.db2.gz	FPWZBBOLENCORM-CBCGPPTASA-N	-2	0	439.423	3.020	50	0		IGAARL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)cc(OC)c1	ZINC000089585557	568938780	/nfs/dbraw/zinc/93/87/80/568938780.db2.gz	ULVOSAQFLYKWPS-UHFFFAOYSA-N	-2	0	430.276	3.274	50	0		IGAARL
O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000095464004	569370397	/nfs/dbraw/zinc/37/03/97/569370397.db2.gz	ZRJZMMRMAVUKBF-KRWDZBQOSA-N	-2	0	448.497	3.114	50	0		IGAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cnc(N3CCCCCCC3)c(C(=O)[O-])c2)c1	ZINC000035397595	524882325	/nfs/dbraw/zinc/88/23/25/524882325.db2.gz	XJWBBMDPFRUGPR-UHFFFAOYSA-N	-2	0	449.529	3.368	50	0		IGAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)ccc1F	ZINC000012552339	526355488	/nfs/dbraw/zinc/35/54/88/526355488.db2.gz	PTEDTGNURJIRML-UHFFFAOYSA-N	-2	0	428.441	3.255	50	0		IGAARL
COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000006161584	556078915	/nfs/dbraw/zinc/07/89/15/556078915.db2.gz	CPSUFFSAIHVDAB-UHFFFAOYSA-N	-2	0	426.450	3.447	50	0		IGAARL
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000009323696	556281727	/nfs/dbraw/zinc/28/17/27/556281727.db2.gz	IECRBVHJLQCGAS-RQZCQDPDSA-N	-2	0	443.433	3.093	50	0		IGAARL
COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205949736	557368518	/nfs/dbraw/zinc/36/85/18/557368518.db2.gz	MNRKKSNSPIIGQF-HNNXBMFYSA-N	-2	0	434.404	3.053	50	0		IGAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(I)cc1C	ZINC000058370566	557812645	/nfs/dbraw/zinc/81/26/45/557812645.db2.gz	WMFIIXASHCPDQU-UHFFFAOYSA-N	-2	0	447.250	3.107	50	0		IGAARL
COC(=O)c1c(=O)c2ccc(C(=O)[O-])cc2[n-]c1SCC(=O)Nc1cc(C)ccc1C	ZINC000015731533	568814398	/nfs/dbraw/zinc/81/43/98/568814398.db2.gz	VHZUAQVXHLJXCJ-UHFFFAOYSA-N	-2	0	440.477	3.361	50	0		IGAARL
O=C([N-]C(=O)c1ccc(Cl)cc1)OCCOC(=O)[N-]C(=O)c1ccc(Cl)cc1	ZINC000001805325	568908709	/nfs/dbraw/zinc/90/87/09/568908709.db2.gz	QTIQNHJYUUVFNN-UHFFFAOYSA-N	-2	0	425.224	3.426	50	0		IGAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(I)c2)sc1C(=O)[O-]	ZINC000035276735	525421824	/nfs/dbraw/zinc/42/18/24/525421824.db2.gz	MALPYZFTYSJZID-UHFFFAOYSA-N	-2	0	437.280	3.469	50	0		IGAARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)c1	ZINC000004174324	555972585	/nfs/dbraw/zinc/97/25/85/555972585.db2.gz	HYVXIFPZMWXDDT-JQBYJRRVSA-N	-2	0	439.423	3.480	50	0		IGAARL
COc1cc(Br)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1OC	ZINC000058377064	557812565	/nfs/dbraw/zinc/81/25/65/557812565.db2.gz	AAXMZHTVHYKCCB-UHFFFAOYSA-N	-2	0	434.239	3.104	50	0		IGAARL
O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccs3)CC2)c2ccc(F)cc21	ZINC000036358934	569085391	/nfs/dbraw/zinc/08/53/91/569085391.db2.gz	PPIVHLGKWQJUDW-OAQYLSRUSA-N	-2	0	445.516	3.260	50	0		IGAARL
Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)cc2)no1	ZINC000001027654	555604696	/nfs/dbraw/zinc/60/46/96/555604696.db2.gz	ASIBMSFNEHTHPT-UHFFFAOYSA-N	-2	0	445.881	3.377	50	0		IGAARL
O=C([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(C(=O)[O-])c(C(=O)[O-])c3)cc2)cc1	ZINC000002371739	555773155	/nfs/dbraw/zinc/77/31/55/555773155.db2.gz	KZRHRPKYHRQAHF-UHFFFAOYSA-N	-3	0	442.401	3.406	50	0		IGAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000000847557	556689719	/nfs/dbraw/zinc/68/97/19/556689719.db2.gz	ARCCMIBPDOTEGX-GZTJUZNOSA-N	-2	0	439.269	3.110	50	0		IGAARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000108803842	557543616	/nfs/dbraw/zinc/54/36/16/557543616.db2.gz	GXSFPZFNIHKOHY-DHIUTWEWSA-N	-2	0	444.491	3.373	50	0		IGAARL
CCCCN(C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1	ZINC000064843606	568971489	/nfs/dbraw/zinc/97/14/89/568971489.db2.gz	YYNIELIVZOENNI-UHFFFAOYSA-N	-2	0	427.910	3.479	50	0		IGAARL
COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)cc1F	ZINC000096011305	569379775	/nfs/dbraw/zinc/37/97/75/569379775.db2.gz	GKXLVIQGYQKETO-UHFFFAOYSA-N	-2	0	440.193	3.374	50	0		IGAARL
Cc1c(C(=O)[O-])sc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)c1C(=O)[O-]	ZINC000008720043	569471489	/nfs/dbraw/zinc/47/14/89/569471489.db2.gz	FNYWMARWYHNHTA-UHFFFAOYSA-N	-3	0	449.510	3.330	50	0		IGAARL