smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(NC(=O)/C=C/c2ccccc2)cc(C(=O)[O-])c1	ZINC000000192872	180721369	/nfs/dbraw/zinc/72/13/69/180721369.db2.gz	VEIUXPLIWZQBJT-VOTSOKGWSA-N	-2	0	311.293	2.735	50	0		DFAARL
O=C([O-])c1cccc(Nc2cc(C(=O)[O-])ccc2C(=O)[O-])c1	ZINC000003843493	181048567	/nfs/dbraw/zinc/04/85/67/181048567.db2.gz	WRIFKAUEZLVBAD-UHFFFAOYSA-N	-3	0	301.254	2.525	50	0		DFAARL
CC1(C)[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@]1(C)C(=O)[O-]	ZINC000004990362	181185946	/nfs/dbraw/zinc/18/59/46/181185946.db2.gz	CJJSEBJKIPJYCU-YVEFUNNKSA-N	-2	0	319.357	2.850	50	0		DFAARL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1F	ZINC000013464567	181852375	/nfs/dbraw/zinc/85/23/75/181852375.db2.gz	VRWSQNJUGYYDMS-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])cc1C	ZINC000008714610	425674044	/nfs/dbraw/zinc/67/40/44/425674044.db2.gz	POVHVUIKWDUNBF-UHFFFAOYSA-N	-2	0	313.309	2.952	50	0		DFAARL
Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000008923736	425676954	/nfs/dbraw/zinc/67/69/54/425676954.db2.gz	GTHSEHHPODAHPT-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2NC(=O)[N-]C2=O)o1	ZINC000015012719	425778101	/nfs/dbraw/zinc/77/81/01/425778101.db2.gz	TURBDDXSHZASGX-GHXNOFRVSA-N	-2	0	312.281	2.974	50	0		DFAARL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1F	ZINC000014097298	425765831	/nfs/dbraw/zinc/76/58/31/425765831.db2.gz	HWZVBBXJQCFUKR-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])s1	ZINC000035306738	425844077	/nfs/dbraw/zinc/84/40/77/425844077.db2.gz	VUCRIKANHPJHES-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)sc1C(=O)[O-]	ZINC000037238708	425847597	/nfs/dbraw/zinc/84/75/97/425847597.db2.gz	SXOATFSUNBAHJP-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(F)c1	ZINC000076082335	426099534	/nfs/dbraw/zinc/09/95/34/426099534.db2.gz	DXMJEWMDOSVHQC-UHFFFAOYSA-N	-2	0	323.345	2.942	50	0		DFAARL
O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)cc(C(=O)[O-])c1	ZINC000000012853	331458541	/nfs/dbraw/zinc/45/85/41/331458541.db2.gz	FCIYBTVPZNALLN-UHFFFAOYSA-N	-2	0	319.700	2.989	50	0		DFAARL
COc1ccc(C(=O)[O-])cc1-c1cc(C(=O)[O-])ccc1OC	ZINC000199618525	563618466	/nfs/dbraw/zinc/61/84/66/563618466.db2.gz	UVKMCJMFEOUORW-UHFFFAOYSA-N	-2	0	302.282	2.767	50	0		DFAARL
O=C([O-])C[C@H](C(=O)[O-])c1cccc(Br)c1Cl	ZINC000675055385	568420077	/nfs/dbraw/zinc/42/00/77/568420077.db2.gz	RTTHAMUALFQXPW-LURJTMIESA-N	-2	0	307.527	2.745	50	0		DFAARL
O=C([O-])c1ccc(C(=O)c2ccc(Cl)cc2)cc1C(=O)[O-]	ZINC000022205214	398416380	/nfs/dbraw/zinc/41/63/80/398416380.db2.gz	AVJIXLNSRMANJU-UHFFFAOYSA-N	-2	0	304.685	2.967	50	0		DFAARL
Cc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])cc1C	ZINC000004806133	181154016	/nfs/dbraw/zinc/15/40/16/181154016.db2.gz	FRKOXAYCFPCIAZ-UHFFFAOYSA-N	-2	0	313.309	2.952	50	0		DFAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1	ZINC000015243615	181992600	/nfs/dbraw/zinc/99/26/00/181992600.db2.gz	CLSIUZFVJABYCB-UHFFFAOYSA-N	-2	0	319.310	2.525	50	0		DFAARL
O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000043583583	183373204	/nfs/dbraw/zinc/37/32/04/183373204.db2.gz	YLMNFDFIMYDQRX-SNVBAGLBSA-N	-2	0	311.765	2.763	50	0		DFAARL
O=C([O-])c1cc(Br)cc(C(=O)[O-])c1Br	ZINC000141426667	304221193	/nfs/dbraw/zinc/22/11/93/304221193.db2.gz	MCBAPDGFMNMXOL-UHFFFAOYSA-N	-2	0	323.924	2.608	50	0		DFAARL
Cc1ccc(C(=O)[O-])c(N2CCC(CC3CC3)(C(=O)[O-])CC2)n1	ZINC000067935469	425914915	/nfs/dbraw/zinc/91/49/15/425914915.db2.gz	CJESPBGUMOKITG-UHFFFAOYSA-N	-2	0	318.373	2.560	50	0		DFAARL
Cc1coc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc12	ZINC000187080384	323218180	/nfs/dbraw/zinc/21/81/80/323218180.db2.gz	HJWVZCBOBGVCQV-UHFFFAOYSA-N	-2	0	320.326	2.568	50	0		DFAARL
COc1ccc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)cc1	ZINC000005733553	181278534	/nfs/dbraw/zinc/27/85/34/181278534.db2.gz	GPQLHGCIAUEJQK-UHFFFAOYSA-N	-2	0	314.293	2.888	50	0	biogenic,in-vitro	DFAARL
O=C([O-])c1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1Cl	ZINC000005051031	304226120	/nfs/dbraw/zinc/22/61/20/304226120.db2.gz	HLXGDPVIJRNPHN-NXEZZACHSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1	ZINC000018196644	304244408	/nfs/dbraw/zinc/24/44/08/304244408.db2.gz	HLFBZWAZGXZUSH-UWVGGRQHSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1ccc(C(=O)Nc2ccccc2Cl)c(C(=O)[O-])c1	ZINC000000168148	425542295	/nfs/dbraw/zinc/54/22/95/425542295.db2.gz	ZIPVTUOORICYQJ-UHFFFAOYSA-N	-2	0	319.700	2.989	50	0		DFAARL
O=C([O-])Cc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1	ZINC000000262026	425549600	/nfs/dbraw/zinc/54/96/00/425549600.db2.gz	GLZVKBFEXWLPAX-CXUHLZMHSA-N	-2	0	300.270	2.678	50	0		DFAARL
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000007417234	425644393	/nfs/dbraw/zinc/64/43/93/425644393.db2.gz	RAOFKQQUCKPYOJ-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1	ZINC000037462906	425848245	/nfs/dbraw/zinc/84/82/45/425848245.db2.gz	BDVWBVDCGILJSF-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
O=C([O-])c1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000005205347	181216548	/nfs/dbraw/zinc/21/65/48/181216548.db2.gz	OQHBPEZKDSWIIE-UHFFFAOYSA-N	-3	0	302.238	2.574	50	0		DFAARL
O=C([O-])c1ccccc1C(=O)c1nc2c([n-]1)C(=O)c1ccccc1-2	ZINC000005687452	181272561	/nfs/dbraw/zinc/27/25/61/181272561.db2.gz	GKGSAINEYBYADD-UHFFFAOYSA-N	-2	0	318.288	2.550	50	0		DFAARL
CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000062869620	184257377	/nfs/dbraw/zinc/25/73/77/184257377.db2.gz	RCTOYAHWZMJPQJ-OAHLLOKOSA-N	-2	0	311.765	2.763	50	0		DFAARL
Brc1ccc2nc3c(nc2c1)[N-]c1nonc1[N-]3	ZINC000006534117	425627175	/nfs/dbraw/zinc/62/71/75/425627175.db2.gz	AEWVTDHFEZLKLW-UHFFFAOYSA-N	-2	0	305.095	2.576	50	0		DFAARL
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1	ZINC000007230428	425639387	/nfs/dbraw/zinc/63/93/87/425639387.db2.gz	WCOIAUYWMTVWKQ-UHFFFAOYSA-N	-2	0	323.345	2.942	50	0		DFAARL
O=C([O-])c1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1	ZINC000013092197	425748726	/nfs/dbraw/zinc/74/87/26/425748726.db2.gz	HLBJCLJLDOEFEG-UHFFFAOYSA-N	-2	0	305.717	2.674	50	0		DFAARL
CC(=O)Nc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000000342298	180762349	/nfs/dbraw/zinc/76/23/49/180762349.db2.gz	CHDQBSJNFCRTFK-UHFFFAOYSA-N	-2	0	315.281	2.834	50	0		DFAARL
CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@]1(C)C(=O)[O-]	ZINC000004990363	181185783	/nfs/dbraw/zinc/18/57/83/181185783.db2.gz	CJJSEBJKIPJYCU-SJKOYZFVSA-N	-2	0	319.357	2.850	50	0		DFAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl	ZINC000018196622	304247565	/nfs/dbraw/zinc/24/75/65/304247565.db2.gz	JXCAEQNRNRTMQF-NXEZZACHSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1[O-]	ZINC000001401799	304266704	/nfs/dbraw/zinc/26/67/04/304266704.db2.gz	GUWKHLANBBRVJE-UHFFFAOYSA-N	-2	0	316.700	2.652	50	0		DFAARL
O=C([O-])c1c(-c2ccccc2)nn(-c2ccccc2)c1C(=O)[O-]	ZINC000000035802	425530165	/nfs/dbraw/zinc/53/01/65/425530165.db2.gz	WERNQSNSNVDBBJ-UHFFFAOYSA-N	-2	0	308.293	2.936	50	0	in-vitro	DFAARL
Cc1ccc(C(C)(SCC(=O)[O-])SCC(=O)[O-])cc1	ZINC000002160627	425590944	/nfs/dbraw/zinc/59/09/44/425590944.db2.gz	ZAPDKGQNLIZUEU-UHFFFAOYSA-N	-2	0	300.401	2.803	50	0		DFAARL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000007056425	425634645	/nfs/dbraw/zinc/63/46/45/425634645.db2.gz	BTRGCINJKHQSRR-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1	ZINC000013278619	425752197	/nfs/dbraw/zinc/75/21/97/425752197.db2.gz	DYXXCSHKWSEWHF-UHFFFAOYSA-N	-2	0	319.310	2.525	50	0		DFAARL
COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000096305773	426413216	/nfs/dbraw/zinc/41/32/16/426413216.db2.gz	BLGXDPWTXWFMKU-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
CC(=C\C(=O)[O-])/C(=C\c1ccc(Br)cc1)C(=O)[O-]	ZINC000004770285	277928479	/nfs/dbraw/zinc/92/84/79/277928479.db2.gz	ZNIGSYWPHSYEND-JMFBPXTISA-N	-2	0	311.131	2.948	50	0		DFAARL
O=C1N=C([O-])C2c3c1cccc3C(=O)C(c1ccccc1)=C2[O-]	ZINC000006666594	398356460	/nfs/dbraw/zinc/35/64/60/398356460.db2.gz	OKDFLZXKMRVILB-UHFFFAOYSA-N	-2	0	305.289	2.856	50	0		DFAARL
CC(C)n1ccc([N-]S(=O)(=O)c2ccc(Cl)c([O-])c2)n1	ZINC000585136616	398435057	/nfs/dbraw/zinc/43/50/57/398435057.db2.gz	NCEISMMORJPQJO-UHFFFAOYSA-N	-2	0	315.782	2.624	50	0		DFAARL
Cc1[n-]n(-c2cccc(Cl)c2Cl)c(=O)c1CC(=O)[O-]	ZINC000102204242	398675701	/nfs/dbraw/zinc/67/57/01/398675701.db2.gz	REFZWDZVINVHJW-UHFFFAOYSA-N	-2	0	301.129	2.820	50	0		DFAARL
CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000021817729	182293412	/nfs/dbraw/zinc/29/34/12/182293412.db2.gz	NZXNBZOYAGRMSS-UHFFFAOYSA-N	-2	0	311.384	2.810	50	0		DFAARL
O=C([O-])c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Cl	ZINC000005051029	304226054	/nfs/dbraw/zinc/22/60/54/304226054.db2.gz	HLXGDPVIJRNPHN-ZJUUUORDSA-N	-2	0	323.732	2.644	50	0		DFAARL
COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C	ZINC000054797363	425891284	/nfs/dbraw/zinc/89/12/84/425891284.db2.gz	XWKUJFJFKIXTRO-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000000575914	425569899	/nfs/dbraw/zinc/56/98/99/425569899.db2.gz	CEGHGHLJXIQYPB-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F	ZINC000015243672	425779754	/nfs/dbraw/zinc/77/97/54/425779754.db2.gz	LECNDKQZDRDQHL-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000048382917	425875223	/nfs/dbraw/zinc/87/52/23/425875223.db2.gz	IWVSKMQBMXZIJX-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
Cc1nc(-n2ccc3c2cccc3C(=O)[O-])sc1C(=O)[O-]	ZINC000040451262	302539057	/nfs/dbraw/zinc/53/90/57/302539057.db2.gz	XLXVSSRATFVSCF-UHFFFAOYSA-N	-2	0	302.311	2.792	50	0		DFAARL
O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000003881287	181051820	/nfs/dbraw/zinc/05/18/20/181051820.db2.gz	KFSMKLIYYYGIKW-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0	in-vitro	DFAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C	ZINC000005126815	181206246	/nfs/dbraw/zinc/20/62/46/181206246.db2.gz	VYDSWDOEZIUOTB-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
CCCC[C@@H](COC(=O)c1ccccc1C(=O)[O-])CC(=O)[O-]	ZINC000005822026	181287002	/nfs/dbraw/zinc/28/70/02/181287002.db2.gz	CCNOZWPVQWCJFK-LLVKDONJSA-N	-2	0	308.330	2.823	50	0	in-vitro	DFAARL
COc1ccc(/C=C/C(=O)c2cc(CC(=O)[O-])ccc2[O-])cc1	ZINC000048533880	398785943	/nfs/dbraw/zinc/78/59/43/398785943.db2.gz	AXMMVUCBERNIGU-XBXARRHUSA-N	-2	0	312.321	2.924	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(F)c1	ZINC000075584056	398811767	/nfs/dbraw/zinc/81/17/67/398811767.db2.gz	MTBYAXNKLDVJIA-UHFFFAOYSA-N	-2	0	323.345	2.942	50	0		DFAARL
O=C([O-])COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1	ZINC000019941755	182168209	/nfs/dbraw/zinc/16/82/09/182168209.db2.gz	WURHNPAXJPIXHT-UHFFFAOYSA-N	-2	0	312.277	2.629	50	0		DFAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(Br)cc1Cl	ZINC000675053149	544282868	/nfs/dbraw/zinc/28/28/68/544282868.db2.gz	GSZPYKDOGIUTKT-SSDOTTSWSA-N	-2	0	307.527	2.745	50	0		DFAARL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000000296062	425551543	/nfs/dbraw/zinc/55/15/43/425551543.db2.gz	SSOMJRJEEVXYPJ-UHFFFAOYSA-N	-2	0	311.746	2.839	50	0		DFAARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1Cl	ZINC000037641986	425849068	/nfs/dbraw/zinc/84/90/68/425849068.db2.gz	VXYDDXPDNYALFF-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
COc1ccc2nc(C)cc(S[C@H](CC(=O)[O-])C(=O)[O-])c2c1	ZINC000008991747	295279754	/nfs/dbraw/zinc/27/97/54/295279754.db2.gz	XTVOISJTXQNHKC-CYBMUJFWSA-N	-2	0	321.354	2.572	50	0		DFAARL
O=C([O-])C(=Cc1nc(-c2ccccc2)n2ccccc12)C(=O)[O-]	ZINC000004136708	181078279	/nfs/dbraw/zinc/07/82/79/181078279.db2.gz	IPDMHYFTZGQUJQ-UHFFFAOYSA-N	-2	0	308.293	2.554	50	0		DFAARL
O=C([O-])c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl	ZINC000018196624	304247545	/nfs/dbraw/zinc/24/75/45/304247545.db2.gz	JXCAEQNRNRTMQF-ZJUUUORDSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1ccccc1NCCNc1ccccc1C(=O)[O-]	ZINC000002527901	425595042	/nfs/dbraw/zinc/59/50/42/425595042.db2.gz	BMRDIJXIHSOUFN-UHFFFAOYSA-N	-2	0	300.314	2.607	50	0		DFAARL
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C	ZINC000015243144	425780505	/nfs/dbraw/zinc/78/05/05/425780505.db2.gz	GLVMLQCBILEOCR-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
O=C([O-])CCn1cc(C(=O)[O-])c(-c2ccc3ccccc3c2)n1	ZINC000027642669	425817890	/nfs/dbraw/zinc/81/78/90/425817890.db2.gz	UFNYZYGMBQWZCE-UHFFFAOYSA-N	-2	0	310.309	2.876	50	0		DFAARL
Cc1cc(S(=O)(=O)[N-]c2ccccc2C)sc1C(=O)[O-]	ZINC000037238826	425847652	/nfs/dbraw/zinc/84/76/52/425847652.db2.gz	JKXWAIWWUOAKQM-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000006706954	181375846	/nfs/dbraw/zinc/37/58/46/181375846.db2.gz	AXQCRUDKRXUZOT-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)s1	ZINC000021804628	182291201	/nfs/dbraw/zinc/29/12/01/182291201.db2.gz	FJRDKHNPHTYQMF-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
O=C([O-])c1cccc(NC(=S)Nc2cccc(C(=O)[O-])c2)c1	ZINC000038534984	183001900	/nfs/dbraw/zinc/00/19/00/183001900.db2.gz	XQTXLNVJFLDDQA-UHFFFAOYSA-N	-2	0	316.338	2.892	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000000267728	425549843	/nfs/dbraw/zinc/54/98/43/425549843.db2.gz	BOZMDSWFBJTFRW-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000012552002	425731914	/nfs/dbraw/zinc/73/19/14/425731914.db2.gz	FFEGZYPQYRPNDV-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
Cc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])c(C)c1	ZINC000000168144	180713167	/nfs/dbraw/zinc/71/31/67/180713167.db2.gz	CJNMLMUHWZFIFT-UHFFFAOYSA-N	-2	0	313.309	2.952	50	0		DFAARL
CC1(C)[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC[C@]1(C)C(=O)[O-]	ZINC000004174812	181081574	/nfs/dbraw/zinc/08/15/74/181081574.db2.gz	VYQKLFAQJYCAQY-SJKOYZFVSA-N	-2	0	319.357	2.850	50	0		DFAARL
Cc1cccc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])c1C	ZINC000004828581	181158264	/nfs/dbraw/zinc/15/82/64/181158264.db2.gz	RHFDRSYHWHLRMY-UHFFFAOYSA-N	-2	0	313.309	2.952	50	0		DFAARL
Cc1nc(S[C@@H](C)C(=O)[O-])[n-]c(=O)c1Oc1ccccc1	ZINC000005687120	181271633	/nfs/dbraw/zinc/27/16/33/181271633.db2.gz	JXCOMRPDJHNVQU-VIFPVBQESA-N	-2	0	306.343	2.848	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])s1	ZINC000021010715	182260238	/nfs/dbraw/zinc/26/02/38/182260238.db2.gz	WGSSPNHZQJETQS-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1	ZINC000066290465	425903413	/nfs/dbraw/zinc/90/34/13/425903413.db2.gz	YMEDCYDMVYWRMY-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
O=C([O-])c1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000001759937	425587354	/nfs/dbraw/zinc/58/73/54/425587354.db2.gz	CPBPNIAQWUCTAS-UHFFFAOYSA-N	-2	0	300.270	2.727	50	0		DFAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(Cl)c(Br)c1	ZINC000675055513	563909925	/nfs/dbraw/zinc/90/99/25/563909925.db2.gz	URKABOJOBOURPQ-ZCFIWIBFSA-N	-2	0	307.527	2.745	50	0		DFAARL
O=C([O-])c1cc(Sc2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000004760059	181149204	/nfs/dbraw/zinc/14/92/04/181149204.db2.gz	DWMJRSPNFCPIQN-UHFFFAOYSA-N	-2	0	306.295	2.645	50	0		DFAARL
O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1	ZINC000018196647	304244414	/nfs/dbraw/zinc/24/44/14/304244414.db2.gz	HLFBZWAZGXZUSH-ZJUUUORDSA-N	-2	0	323.732	2.644	50	0		DFAARL
Cc1scc([N-]S(=O)(=O)c2ccc(C)cc2)c1C(=O)[O-]	ZINC000000118154	425537467	/nfs/dbraw/zinc/53/74/67/425537467.db2.gz	GGJKFCGFPZUTGH-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000015243807	425780090	/nfs/dbraw/zinc/78/00/90/425780090.db2.gz	YHLNKHFHDIZZRW-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000003194435	180989992	/nfs/dbraw/zinc/98/99/92/180989992.db2.gz	XIZMIRRBYQPDKO-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
Cc1cc(Cc2cc(C)cc(C(=O)[O-])c2O)c(O)c(C(=O)[O-])c1	ZINC000004028828	181064548	/nfs/dbraw/zinc/06/45/48/181064548.db2.gz	DWSMPYCNEIBXNQ-UHFFFAOYSA-N	-2	0	316.309	2.702	50	0		DFAARL
CC(=C\C(=O)[O-])/C(=C/c1ccc(Br)o1)C(=O)[O-]	ZINC000005004431	181189051	/nfs/dbraw/zinc/18/90/51/181189051.db2.gz	OYFRNRSXSAUPJE-NDWVUGOJSA-N	-2	0	301.092	2.541	50	0		DFAARL
O=C([O-])c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1	ZINC000100026389	304244938	/nfs/dbraw/zinc/24/49/38/304244938.db2.gz	HFBBETQVOXCNFI-UHFFFAOYSA-N	-2	0	318.379	2.867	50	0		DFAARL
O=C([O-])CSc1sc(=S)sc1SCC(=O)[O-]	ZINC000003051869	425608304	/nfs/dbraw/zinc/60/83/04/425608304.db2.gz	BHNWNFVBUKSDKL-UHFFFAOYSA-N	-2	0	314.456	2.892	50	0		DFAARL
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000076082191	426098799	/nfs/dbraw/zinc/09/87/99/426098799.db2.gz	JBDVRUWDXFLRPH-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000005094753	301532692	/nfs/dbraw/zinc/53/26/92/301532692.db2.gz	DRZSTBQWYYZQMP-NEPJUHHUSA-N	-2	0	305.330	2.523	50	0		DFAARL
O=C([O-])C[C@@H](C(=O)[O-])c1cc(Br)ccc1Cl	ZINC000675055728	563909959	/nfs/dbraw/zinc/90/99/59/563909959.db2.gz	XCJGWFJOLQSUIX-SSDOTTSWSA-N	-2	0	307.527	2.745	50	0		DFAARL
CC1(C)[C@H](C(=O)Nc2ccccc2C(=O)[O-])CC[C@]1(C)C(=O)[O-]	ZINC000004380049	398349652	/nfs/dbraw/zinc/34/96/52/398349652.db2.gz	DSZCZBJFFVGVEJ-APPDUMDISA-N	-2	0	319.357	2.850	50	0		DFAARL
O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3cccs3)ccc21	ZINC000065565353	184366720	/nfs/dbraw/zinc/36/67/20/184366720.db2.gz	FGWXEYTUTIWYJY-UHFFFAOYSA-N	-2	0	322.367	2.728	50	0		DFAARL
CCC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002132426	425590381	/nfs/dbraw/zinc/59/03/81/425590381.db2.gz	JAMUAKBPEKPDLM-MFKMUULPSA-N	-2	0	307.346	2.850	50	0		DFAARL
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000003186669	425612230	/nfs/dbraw/zinc/61/22/30/425612230.db2.gz	ZUZRRPADJRWWIE-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
COc1c([O-])c2c(O)cc(-c3ccccc3)oc-2c(OC)c1=O	ZINC000014757486	425774225	/nfs/dbraw/zinc/77/42/25/425774225.db2.gz	RBVYFSLWUBLPMG-UHFFFAOYSA-N	-2	0	314.293	2.888	50	0		DFAARL
O=C([O-])[C@](O)(c1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F	ZINC000003619065	181042368	/nfs/dbraw/zinc/04/23/68/181042368.db2.gz	LCPXMAUXGJHWPZ-MRVPVSSYSA-N	-2	0	305.035	2.534	50	0		DFAARL
O=C([O-])c1ccc(C(=O)Nc2ccc(Cl)cc2)c(C(=O)[O-])c1	ZINC000006221773	181320940	/nfs/dbraw/zinc/32/09/40/181320940.db2.gz	SNLQUMBLYUUEJW-UHFFFAOYSA-N	-2	0	319.700	2.989	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1	ZINC000076081890	426099744	/nfs/dbraw/zinc/09/97/44/426099744.db2.gz	BSBFNAHNAUPTSJ-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
COc1ccc2nc(C)cc(S[C@@H](CC(=O)[O-])C(=O)[O-])c2c1	ZINC000008991746	295279751	/nfs/dbraw/zinc/27/97/51/295279751.db2.gz	XTVOISJTXQNHKC-ZDUSSCGKSA-N	-2	0	321.354	2.572	50	0		DFAARL
O=C([O-])c1cccc(-n2cc(C(=O)c3ccccc3[O-])cn2)c1	ZINC000003880968	181051379	/nfs/dbraw/zinc/05/13/79/181051379.db2.gz	IHEWBIDZCKEDRI-UHFFFAOYSA-N	-2	0	308.293	2.507	50	0		DFAARL
Cc1nn(-c2ccccc2)c(CC(C)(C)C(=O)[O-])c1C(=O)[O-]	ZINC000004258612	181089228	/nfs/dbraw/zinc/08/92/28/181089228.db2.gz	HARHTDAQMLSUHM-UHFFFAOYSA-N	-2	0	302.330	2.532	50	0		DFAARL
COc1ccc([C@H](C(=O)[O-])[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000004776137	181151204	/nfs/dbraw/zinc/15/12/04/181151204.db2.gz	JMDQOIIJRILROU-GJZGRUSLSA-N	-2	0	300.310	2.732	50	0		DFAARL
O=C([O-])Cc1ccc(-n2c(-c3ccncc3)n[n-]c2=S)cc1	ZINC000005813707	181286278	/nfs/dbraw/zinc/28/62/78/181286278.db2.gz	RFMLYQZRDBZNEZ-UHFFFAOYSA-N	-2	0	312.354	2.619	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])s1	ZINC000021013194	182260053	/nfs/dbraw/zinc/26/00/53/182260053.db2.gz	DTQGSGPMHGEZGD-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])s1	ZINC000021034578	182261904	/nfs/dbraw/zinc/26/19/04/182261904.db2.gz	ZKSADECETBGYEI-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)s1	ZINC000059880791	184141941	/nfs/dbraw/zinc/14/19/41/184141941.db2.gz	MNTVNAJAIKTULU-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
Cc1ccc(C)c(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])c1	ZINC000001738170	425587671	/nfs/dbraw/zinc/58/76/71/425587671.db2.gz	KJNVFELDRJJGMQ-UHFFFAOYSA-N	-2	0	313.309	2.952	50	0		DFAARL
CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000002658020	425599197	/nfs/dbraw/zinc/59/91/97/425599197.db2.gz	LEYCIKCECNAMKC-UHFFFAOYSA-N	-2	0	321.354	2.584	50	0		DFAARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000003204806	425611997	/nfs/dbraw/zinc/61/19/97/425611997.db2.gz	IPYXNQFKHRDMCT-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000007230440	425639427	/nfs/dbraw/zinc/63/94/27/425639427.db2.gz	FGVLYBXUWOBUNL-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
Cc1cccc(C)c1NC(=O)c1ccc(C(=O)[O-])cc1C(=O)[O-]	ZINC000011565810	425710757	/nfs/dbraw/zinc/71/07/57/425710757.db2.gz	RIEZFTLBPKPGBS-UHFFFAOYSA-N	-2	0	313.309	2.952	50	0		DFAARL
CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)s1	ZINC000048440697	425875576	/nfs/dbraw/zinc/87/55/76/425875576.db2.gz	FBDZDHOQUAYIRB-UHFFFAOYSA-N	-2	0	311.384	2.810	50	0		DFAARL
CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)s1	ZINC000048440694	425875680	/nfs/dbraw/zinc/87/56/80/425875680.db2.gz	NWIWMCWYPCDHQT-UHFFFAOYSA-N	-2	0	311.384	2.810	50	0		DFAARL
COc1ccc(-c2c(C(=O)[O-])c(C(=O)[O-])c3n2CCC3)cc1	ZINC000004041237	295045660	/nfs/dbraw/zinc/04/56/60/295045660.db2.gz	DMAQNDSWOZHGCU-UHFFFAOYSA-N	-2	0	301.298	2.506	50	0		DFAARL
CC1(C)[C@H](C(=O)Nc2ccccc2C(=O)[O-])CC[C@@]1(C)C(=O)[O-]	ZINC000000339833	398345311	/nfs/dbraw/zinc/34/53/11/398345311.db2.gz	DSZCZBJFFVGVEJ-GTNSWQLSSA-N	-2	0	319.357	2.850	50	0		DFAARL
O=C([O-])CCn1c(=O)c2sc3ccccc3c2[n-]c1=S	ZINC000000424668	398345796	/nfs/dbraw/zinc/34/57/96/398345796.db2.gz	KHXFDQMMMJNIMX-UHFFFAOYSA-N	-2	0	306.368	2.748	50	0		DFAARL
COc1ccc([C@H](C(=O)[O-])[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000004776134	181150616	/nfs/dbraw/zinc/15/06/16/181150616.db2.gz	JMDQOIIJRILROU-CABCVRRESA-N	-2	0	300.310	2.732	50	0		DFAARL
O=C([O-])/C=C/c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000000440825	425562058	/nfs/dbraw/zinc/56/20/58/425562058.db2.gz	YEDJYLSAYFEXFD-VOTSOKGWSA-N	-2	0	309.368	2.647	50	0		DFAARL
O=C([O-])c1[nH]c(C(=O)[O-])c(CC(F)(F)F)c1CC(F)(F)F	ZINC000002519546	425594200	/nfs/dbraw/zinc/59/42/00/425594200.db2.gz	GUADTFMPOQZXOE-UHFFFAOYSA-N	-2	0	319.157	2.621	50	0		DFAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1	ZINC000008725736	425674717	/nfs/dbraw/zinc/67/47/17/425674717.db2.gz	KDLDNWOTCJDSEP-UHFFFAOYSA-N	-2	0	323.395	2.736	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)s1	ZINC000044750172	425857983	/nfs/dbraw/zinc/85/79/83/425857983.db2.gz	QQFOVKRZBOQMEZ-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
CCCCn1c(C)c(C(=O)[O-])c2cc(OCC(=O)[O-])ccc21	ZINC000034151281	425842455	/nfs/dbraw/zinc/84/24/55/425842455.db2.gz	ZTLVOWMKFGTBPI-UHFFFAOYSA-N	-2	0	305.330	2.911	50	0		DFAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)sc1C(=O)[O-]	ZINC000037225789	425847352	/nfs/dbraw/zinc/84/73/52/425847352.db2.gz	QQKKDGBMAHBVSP-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1Br	ZINC000095884049	426375327	/nfs/dbraw/zinc/37/53/27/426375327.db2.gz	BNNXNTIECPGWRX-UHFFFAOYSA-N	-2	0	301.136	2.791	50	0		DFAARL
O=C([O-])c1cc(NC(=O)CCc2ccccc2)cc(C(=O)[O-])c1	ZINC000004822573	181157229	/nfs/dbraw/zinc/15/72/29/181157229.db2.gz	BFRMURCQDBMRJT-UHFFFAOYSA-N	-2	0	313.309	2.654	50	0		DFAARL
O=C([O-])CCn1c(=O)c2oc3ccc(Cl)cc3c2[n-]c1=S	ZINC000101411163	304065127	/nfs/dbraw/zinc/06/51/27/304065127.db2.gz	CVUCCNOINMFTLJ-UHFFFAOYSA-N	-2	0	324.745	2.560	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2F)c(C(=O)[O-])c1	ZINC000058355006	184107780	/nfs/dbraw/zinc/10/77/80/184107780.db2.gz	YWGPYMQJERRHJX-UHFFFAOYSA-N	-2	0	323.345	2.942	50	0		DFAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1	ZINC000001165253	425576488	/nfs/dbraw/zinc/57/64/88/425576488.db2.gz	ZMDMMZAPWNUVJN-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
CCCCCCc1ccc(OCC(=O)[O-])cc1OCC(=O)[O-]	ZINC000002116249	425588312	/nfs/dbraw/zinc/58/83/12/425588312.db2.gz	OVUFMPMEHVAGDU-UHFFFAOYSA-N	-2	0	310.346	2.736	50	0		DFAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1	ZINC000013300049	425751452	/nfs/dbraw/zinc/75/14/52/425751452.db2.gz	XXRUGNORSGQOLG-UHFFFAOYSA-N	-2	0	319.310	2.525	50	0		DFAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2)sc1C(=O)[O-]	ZINC000037225791	425847290	/nfs/dbraw/zinc/84/72/90/425847290.db2.gz	ZPFBBRHEKMOXRM-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(Br)c(Cl)c1	ZINC000675055803	563909882	/nfs/dbraw/zinc/90/98/82/563909882.db2.gz	YKIIARASGDJQPZ-LURJTMIESA-N	-2	0	307.527	2.745	50	0		DFAARL
O=C([O-])c1ccc(Nn2c(=O)c3ccccc3[n-]c2=S)cc1	ZINC000000424918	398346389	/nfs/dbraw/zinc/34/63/89/398346389.db2.gz	JKZIBTMNTWOVFR-UHFFFAOYSA-N	-2	0	313.338	2.632	50	0		DFAARL
CCCC[C@H](CCC(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000002860411	282946833	/nfs/dbraw/zinc/94/68/33/282946833.db2.gz	ULJXHGMYIHCCRR-LLVKDONJSA-N	-2	0	307.346	2.995	50	0		DFAARL
O=C([O-])CCc1cc(Br)c([O-])c(Br)c1	ZINC000000165717	304064033	/nfs/dbraw/zinc/06/40/33/304064033.db2.gz	RYXMOITYFVDWIR-UHFFFAOYSA-N	-2	0	323.968	2.934	50	0		DFAARL
Cc1c(C(=O)[O-])sc2[n-]c(=S)n(Cc3ccco3)c(=O)c12	ZINC000017055998	182073395	/nfs/dbraw/zinc/07/33/95/182073395.db2.gz	SXKKLUQJQWHKAB-UHFFFAOYSA-N	-2	0	322.367	2.769	50	0		DFAARL
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)o1	ZINC000020593470	182235825	/nfs/dbraw/zinc/23/58/25/182235825.db2.gz	DDPFDTXIZWTMLM-UHFFFAOYSA-N	-2	0	319.697	2.571	50	0		DFAARL
O=C([O-])c1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1	ZINC000000236197	304244734	/nfs/dbraw/zinc/24/47/34/304244734.db2.gz	FJVVHJQAUCPBBN-UHFFFAOYSA-N	-2	0	312.350	2.806	50	0		DFAARL
N#Cc1cc(C(=O)[O-])c(=O)[n-]c1SCc1ccccc1Cl	ZINC000000349969	425554315	/nfs/dbraw/zinc/55/43/15/425554315.db2.gz	FZRPNRZMGDRASQ-UHFFFAOYSA-N	-2	0	320.757	2.890	50	0		DFAARL
O=C([O-])c1ccc(OCCOc2ccc(C(=O)[O-])cc2)cc1	ZINC000002163682	425590878	/nfs/dbraw/zinc/59/08/78/425590878.db2.gz	VAXBLYWAVAIJJJ-UHFFFAOYSA-N	-2	0	302.282	2.541	50	0		DFAARL
CCCC[C@H](CCC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000002332637	425592683	/nfs/dbraw/zinc/59/26/83/425592683.db2.gz	AQDOJCJKQPMHOY-LLVKDONJSA-N	-2	0	307.346	2.995	50	0		DFAARL
CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000013300422	425752155	/nfs/dbraw/zinc/75/21/55/425752155.db2.gz	YRMWNKFPKJPNNT-UHFFFAOYSA-N	-2	0	311.384	2.810	50	0		DFAARL
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000005094754	301533129	/nfs/dbraw/zinc/53/31/29/301533129.db2.gz	DRZSTBQWYYZQMP-RYUDHWBXSA-N	-2	0	305.330	2.523	50	0		DFAARL
O=C([O-])C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000000425229	398346035	/nfs/dbraw/zinc/34/60/35/398346035.db2.gz	VXXLIOIHIURFSO-UHFFFAOYSA-N	-2	0	318.398	2.950	50	0		DFAARL
CC1(C)[C@@H](C(=O)Nc2ccccc2C(=O)[O-])CC[C@@]1(C)C(=O)[O-]	ZINC000033686644	398546220	/nfs/dbraw/zinc/54/62/20/398546220.db2.gz	DSZCZBJFFVGVEJ-DIFFPNOSSA-N	-2	0	319.357	2.850	50	0		DFAARL
CC1(C)[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC[C@@]1(C)C(=O)[O-]	ZINC000004174810	181082099	/nfs/dbraw/zinc/08/20/99/181082099.db2.gz	VYQKLFAQJYCAQY-PXAZEXFGSA-N	-2	0	319.357	2.850	50	0		DFAARL
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000000116295	425536798	/nfs/dbraw/zinc/53/67/98/425536798.db2.gz	YRWKEEDITQJPCZ-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0	in-vivo	DFAARL
CC(C)=CCC/C(C)=C/CO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000008215849	425662557	/nfs/dbraw/zinc/66/25/57/425662557.db2.gz	GVVPGTZRZFNKDS-JXMROGBWSA-N	-3	0	314.211	2.905	50	0	endogenous,in-man	DFAARL
Cc1cc(Cc2cc(C)c(O)c(C(=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000004028795	181064314	/nfs/dbraw/zinc/06/43/14/181064314.db2.gz	UPLNCYRSCVJILM-UHFFFAOYSA-N	-2	0	316.309	2.702	50	0	in-vivo	DFAARL
COc1ccc([C@@H](C(=O)[O-])[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000004776139	181151143	/nfs/dbraw/zinc/15/11/43/181151143.db2.gz	JMDQOIIJRILROU-LSDHHAIUSA-N	-2	0	300.310	2.732	50	0		DFAARL
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000015243526	181992785	/nfs/dbraw/zinc/99/27/85/181992785.db2.gz	PIXUBQRYUTZMEM-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(F)c2F)c1	ZINC000040230331	183048024	/nfs/dbraw/zinc/04/80/24/183048024.db2.gz	HYEUMRKWMRXWLF-UHFFFAOYSA-N	-2	0	319.310	2.525	50	0		DFAARL
COc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1C(=O)[O-]	ZINC000042122715	183234333	/nfs/dbraw/zinc/23/43/33/183234333.db2.gz	SGNNSBSTXQAMNF-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
O=C([O-])c1cc(Br)c(Br)cc1C(=O)[O-]	ZINC000020357711	304220410	/nfs/dbraw/zinc/22/04/10/304220410.db2.gz	ZIRYHOLKTROMQO-UHFFFAOYSA-N	-2	0	323.924	2.608	50	0		DFAARL
CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000062869619	184257558	/nfs/dbraw/zinc/25/75/58/184257558.db2.gz	RCTOYAHWZMJPQJ-HNNXBMFYSA-N	-2	0	311.765	2.763	50	0		DFAARL
O=C([O-])c1cn(-c2ccccc2)nc1-c1ccccc1C(=O)[O-]	ZINC000003887870	304274018	/nfs/dbraw/zinc/27/40/18/304274018.db2.gz	ARCDSLUROOXTCW-UHFFFAOYSA-N	-2	0	308.293	2.936	50	0		DFAARL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)s1	ZINC000008718237	425674542	/nfs/dbraw/zinc/67/45/42/425674542.db2.gz	JHJBROMILZIZIT-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
COc1cc([O-])cc2occ(-c3ccc(O)cc3O)c(=O)c12	ZINC000014758993	425774389	/nfs/dbraw/zinc/77/43/89/425774389.db2.gz	TUTSVLUUGMNALO-UHFFFAOYSA-N	-2	0	300.266	2.585	50	0	endogenous,in-man	DFAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000013299957	425752044	/nfs/dbraw/zinc/75/20/44/425752044.db2.gz	LJKLPXBFLFMYMJ-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccco2)cc1)C(=O)[O-]	ZINC000390833970	323342880	/nfs/dbraw/zinc/34/28/80/323342880.db2.gz	PPUGYZNCJIOZMZ-GFCCVEGCSA-N	-2	0	323.370	2.734	50	0		DFAARL
O=C([O-])C[C@@H](C(=O)[O-])c1cc(Cl)ccc1Br	ZINC000675053582	544282858	/nfs/dbraw/zinc/28/28/58/544282858.db2.gz	JCGDUGLORZBCQU-SSDOTTSWSA-N	-2	0	307.527	2.745	50	0		DFAARL
CCC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002132422	425590433	/nfs/dbraw/zinc/59/04/33/425590433.db2.gz	JAMUAKBPEKPDLM-GWCFXTLKSA-N	-2	0	307.346	2.850	50	0		DFAARL
Cc1nc2ccc(Br)cc2c(C(=O)[O-])c1C(=O)[O-]	ZINC000004602474	425618542	/nfs/dbraw/zinc/61/85/42/425618542.db2.gz	HTYBTJJSQMJKSN-UHFFFAOYSA-N	-2	0	310.103	2.702	50	0		DFAARL
Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2)sc1C(=O)[O-]	ZINC000037225785	425847470	/nfs/dbraw/zinc/84/74/70/425847470.db2.gz	ZZDWQIRHZDPLFN-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000048382909	425875218	/nfs/dbraw/zinc/87/52/18/425875218.db2.gz	WAJIKCCAENACFN-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
CC(=C/C(=O)[O-])/C(=C\c1ccc(Br)cc1)C(=O)[O-]	ZINC000004844113	277928535	/nfs/dbraw/zinc/92/85/35/277928535.db2.gz	ZNIGSYWPHSYEND-FAWHLJIPSA-N	-2	0	311.131	2.948	50	0		DFAARL
O=C([O-])C[C@@H](C(=O)[O-])c1cccc(Br)c1Cl	ZINC000675055389	568420069	/nfs/dbraw/zinc/42/00/69/568420069.db2.gz	RTTHAMUALFQXPW-ZCFIWIBFSA-N	-2	0	307.527	2.745	50	0		DFAARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000023744291	182367379	/nfs/dbraw/zinc/36/73/79/182367379.db2.gz	CGPQFNBEBSWYTD-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1	ZINC000043589602	183373954	/nfs/dbraw/zinc/37/39/54/183373954.db2.gz	YLMNFDFIMYDQRX-JTQLQIEISA-N	-2	0	311.765	2.763	50	0		DFAARL
Cc1cc(C)c([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])c1	ZINC000060360625	184146884	/nfs/dbraw/zinc/14/68/84/184146884.db2.gz	MOADGNWTARRVIN-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
COc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C	ZINC000065844488	184380932	/nfs/dbraw/zinc/38/09/32/184380932.db2.gz	XNALNFWNDNYNBK-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
O=C([O-])c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl	ZINC000018196618	304247783	/nfs/dbraw/zinc/24/77/83/304247783.db2.gz	JXCAEQNRNRTMQF-VHSXEESVSA-N	-2	0	323.732	2.644	50	0		DFAARL
COc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-]	ZINC000054392575	425890167	/nfs/dbraw/zinc/89/01/67/425890167.db2.gz	ZBPSHBGYFHPBHL-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2O)c(C(=O)[O-])c1	ZINC000058368529	425897919	/nfs/dbraw/zinc/89/79/19/425897919.db2.gz	NMWRRUVZJSFLKA-UHFFFAOYSA-N	-2	0	321.354	2.508	50	0		DFAARL
Cc1nc(N(CCC(=O)[O-])CCC(=O)[O-])sc1C(C)(C)C	ZINC000003074258	425608621	/nfs/dbraw/zinc/60/86/21/425608621.db2.gz	GNAXHDYHDZADRO-UHFFFAOYSA-N	-2	0	314.407	2.505	50	0		DFAARL
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000007057455	425634622	/nfs/dbraw/zinc/63/46/22/425634622.db2.gz	BOZXIGSWPYDKJK-UHFFFAOYSA-N	-2	0	321.354	2.584	50	0		DFAARL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1F	ZINC000007057347	425634860	/nfs/dbraw/zinc/63/48/60/425634860.db2.gz	GAIHBHBTWOPWJH-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000013300070	425751737	/nfs/dbraw/zinc/75/17/37/425751737.db2.gz	JJPWZHMQJPOZQM-UHFFFAOYSA-N	-2	0	311.384	2.810	50	0		DFAARL
Cc1nn(-c2ccccc2C(=O)[O-])c(C(F)(F)F)c1C(=O)[O-]	ZINC000038863111	425851145	/nfs/dbraw/zinc/85/11/45/425851145.db2.gz	GALDVCGSHYQPFV-UHFFFAOYSA-N	-2	0	314.219	2.596	50	0		DFAARL
CC1(C)[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC[C@]1(C)C(=O)[O-]	ZINC000004174811	281465493	/nfs/dbraw/zinc/46/54/93/281465493.db2.gz	VYQKLFAQJYCAQY-YVEFUNNKSA-N	-2	0	319.357	2.850	50	0		DFAARL
Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C	ZINC000004649225	181132049	/nfs/dbraw/zinc/13/20/49/181132049.db2.gz	VGKCPFCLEXCVCP-UHFFFAOYSA-N	-2	0	313.309	2.952	50	0		DFAARL
Cc1ccc2nc(SCC(=O)[O-])cc(SCC(=O)[O-])c2c1	ZINC000005337721	181231013	/nfs/dbraw/zinc/23/10/13/181231013.db2.gz	XNYNNQVFROFGTI-UHFFFAOYSA-N	-2	0	323.395	2.897	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2ccccc2F)c(C(=O)[O-])c1	ZINC000021519213	182277967	/nfs/dbraw/zinc/27/79/67/182277967.db2.gz	APMKTLRHGQTPMR-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
O=C([O-])c1ccccc1OCCOc1ccccc1C(=O)[O-]	ZINC000002811404	425603505	/nfs/dbraw/zinc/60/35/05/425603505.db2.gz	XAIPIJFEACIWEQ-UHFFFAOYSA-N	-2	0	302.282	2.541	50	0		DFAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000000267722	425550170	/nfs/dbraw/zinc/55/01/70/425550170.db2.gz	FCQQSWBWHBFVGN-UHFFFAOYSA-N	-2	0	321.354	2.503	50	0		DFAARL
Cc1cc(S[C@@H](CC(=O)[O-])C(=O)[O-])c2cc(F)ccc2n1	ZINC000009423787	425687837	/nfs/dbraw/zinc/68/78/37/425687837.db2.gz	XHFPXCZNRNYZDN-LBPRGKRZSA-N	-2	0	309.318	2.702	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C	ZINC000015243150	425779441	/nfs/dbraw/zinc/77/94/41/425779441.db2.gz	UHSZCKHSWFCGSG-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000013262501	425752028	/nfs/dbraw/zinc/75/20/28/425752028.db2.gz	JICLMKADRMWUQD-UHFFFAOYSA-N	-2	0	311.746	2.839	50	0		DFAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC000007053783	333002403	/nfs/dbraw/zinc/00/24/03/333002403.db2.gz	RSXGYSLICMLOMA-UHFFFAOYSA-N	-2	0	311.746	2.839	50	0		DFAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(Cl)c(Br)c1	ZINC000675055512	563909928	/nfs/dbraw/zinc/90/99/28/563909928.db2.gz	URKABOJOBOURPQ-LURJTMIESA-N	-2	0	307.527	2.745	50	0		DFAARL
CC1(C)[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@@]1(C)C(=O)[O-]	ZINC000004811422	181155421	/nfs/dbraw/zinc/15/54/21/181155421.db2.gz	CJJSEBJKIPJYCU-SJCJKPOMSA-N	-2	0	319.357	2.850	50	0		DFAARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000065354887	304223762	/nfs/dbraw/zinc/22/37/62/304223762.db2.gz	YBMRDJSVFYJTFH-UHFFFAOYSA-N	-3	0	304.229	2.587	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1	ZINC000015243146	425780172	/nfs/dbraw/zinc/78/01/72/425780172.db2.gz	IJJUQEMABMHDQQ-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-]	ZINC000005094755	301533093	/nfs/dbraw/zinc/53/30/93/301533093.db2.gz	DRZSTBQWYYZQMP-VXGBXAGGSA-N	-2	0	305.330	2.523	50	0		DFAARL
CCCC[C@@H](CCC(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-]	ZINC000002860410	282900228	/nfs/dbraw/zinc/90/02/28/282900228.db2.gz	ULJXHGMYIHCCRR-NSHDSACASA-N	-2	0	307.346	2.995	50	0		DFAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cs1	ZINC000016623586	182054241	/nfs/dbraw/zinc/05/42/41/182054241.db2.gz	RDHTWKGSDLJFJN-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
O=C([O-])c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl	ZINC000018196620	304247885	/nfs/dbraw/zinc/24/78/85/304247885.db2.gz	JXCAEQNRNRTMQF-UWVGGRQHSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1ccc(C(=O)Nc2cccc(Cl)c2)c(C(=O)[O-])c1	ZINC000000196956	425543795	/nfs/dbraw/zinc/54/37/95/425543795.db2.gz	GCGJKPFXXYROPO-UHFFFAOYSA-N	-2	0	319.700	2.989	50	0		DFAARL
CC(=C/C(=O)[O-])/C(=C\c1ccc(Br)o1)C(=O)[O-]	ZINC000004769972	425620943	/nfs/dbraw/zinc/62/09/43/425620943.db2.gz	OYFRNRSXSAUPJE-QXMOYCCXSA-N	-2	0	301.092	2.541	50	0		DFAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000015243178	425779512	/nfs/dbraw/zinc/77/95/12/425779512.db2.gz	VZKRAJWHGSDOCE-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000013300828	425751684	/nfs/dbraw/zinc/75/16/84/425751684.db2.gz	IZUBMZTWKOTCEB-UHFFFAOYSA-N	-2	0	315.347	2.695	50	0		DFAARL
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-]	ZINC000005094756	301533250	/nfs/dbraw/zinc/53/32/50/301533250.db2.gz	DRZSTBQWYYZQMP-NWDGAFQWSA-N	-2	0	305.330	2.523	50	0		DFAARL
CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccco2)cc1)C(=O)[O-]	ZINC000390833971	323342268	/nfs/dbraw/zinc/34/22/68/323342268.db2.gz	PPUGYZNCJIOZMZ-LBPRGKRZSA-N	-2	0	323.370	2.734	50	0		DFAARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000006315998	181329534	/nfs/dbraw/zinc/32/95/34/181329534.db2.gz	BNVGMMGAVWOVOA-UHFFFAOYSA-N	-2	0	311.746	2.839	50	0		DFAARL
O=C([O-])Cc1ccc(Nc2nnc(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000016675947	182057304	/nfs/dbraw/zinc/05/73/04/182057304.db2.gz	JVKSMWDJIVEJQI-UHFFFAOYSA-N	-2	0	322.324	2.615	50	0		DFAARL
Cc1cc(O)c(Cc2c([O-])cc(C)c(C=O)c2[O-])c(O)c1C	ZINC000031157673	182607225	/nfs/dbraw/zinc/60/72/25/182607225.db2.gz	CTJPDNXMUMTMJX-UHFFFAOYSA-N	-2	0	302.326	2.838	50	0	biogenic,in-vitro	DFAARL
O=C([O-])C[C@H](C(=O)[O-])c1cc(Cl)ccc1Br	ZINC000675053585	544282865	/nfs/dbraw/zinc/28/28/65/544282865.db2.gz	JCGDUGLORZBCQU-ZETCQYMHSA-N	-2	0	307.527	2.745	50	0		DFAARL
Cc1nc(S[C@H](C)C(=O)[O-])[n-]c(=O)c1Oc1ccccc1	ZINC000005687121	181271639	/nfs/dbraw/zinc/27/16/39/181271639.db2.gz	JXCOMRPDJHNVQU-SECBINFHSA-N	-2	0	306.343	2.848	50	0		DFAARL
O=C([O-])c1cc(-n2[n-]c(C(F)(F)F)cc2=O)ccc1Cl	ZINC000110071305	304220040	/nfs/dbraw/zinc/22/00/40/304220040.db2.gz	ICYZZVSQLGOYSF-UHFFFAOYSA-N	-2	0	306.627	2.948	50	0		DFAARL
O=C([O-])c1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1Cl	ZINC000005051030	304226001	/nfs/dbraw/zinc/22/60/01/304226001.db2.gz	HLXGDPVIJRNPHN-UWVGGRQHSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1ccc(NCCNc2ccc(C(=O)[O-])cc2)cc1	ZINC000065740949	184378733	/nfs/dbraw/zinc/37/87/33/184378733.db2.gz	PLRTXWVDXUGELT-UHFFFAOYSA-N	-2	0	300.314	2.607	50	0	in-vitro	DFAARL
O=C([O-])c1ccc(Cl)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1	ZINC000018196646	304244581	/nfs/dbraw/zinc/24/45/81/304244581.db2.gz	HLFBZWAZGXZUSH-NXEZZACHSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])C[C@H](C(=O)[O-])c1ccc(Br)cc1Cl	ZINC000675053151	544282862	/nfs/dbraw/zinc/28/28/62/544282862.db2.gz	GSZPYKDOGIUTKT-ZETCQYMHSA-N	-2	0	307.527	2.745	50	0		DFAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000003201176	425611574	/nfs/dbraw/zinc/61/15/74/425611574.db2.gz	WVBRKQMHYJPLHK-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
Cc1c([N-]S(=O)(=O)c2ccccc2F)cccc1C(=O)[O-]	ZINC000038106390	425850776	/nfs/dbraw/zinc/85/07/76/425850776.db2.gz	WIWBPCWCFAIOCP-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)c[nH]1	ZINC000071858375	425995484	/nfs/dbraw/zinc/99/54/84/425995484.db2.gz	FLLLTJJHQDRPMZ-UHFFFAOYSA-N	-2	0	316.338	2.667	50	0		DFAARL
Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2	ZINC000170617151	197792044	/nfs/dbraw/zinc/79/20/44/197792044.db2.gz	ORIFKWVGYOGVNH-UHFFFAOYSA-N	-2	0	321.354	2.576	50	0		DFAARL
COc1ccc([C@@H](C(=O)[O-])[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000004776135	181150216	/nfs/dbraw/zinc/15/02/16/181150216.db2.gz	JMDQOIIJRILROU-HUUCEWRRSA-N	-2	0	300.310	2.732	50	0		DFAARL
O=C([O-])c1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1Cl	ZINC000005051032	304226003	/nfs/dbraw/zinc/22/60/03/304226003.db2.gz	HLXGDPVIJRNPHN-VHSXEESVSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1ccc(Sc2ccccc2C(=O)[O-])c(C(=O)[O-])c1	ZINC000000173194	304250349	/nfs/dbraw/zinc/25/03/49/304250349.db2.gz	VVDOVOBSWFHMEW-UHFFFAOYSA-N	-3	0	318.306	2.932	50	0		DFAARL
Cc1[n-]n2c(nc(C)c(CCC(=O)[O-])c2=O)c1-c1ccccc1	ZINC000017029002	425787901	/nfs/dbraw/zinc/78/79/01/425787901.db2.gz	QQKGOIYRGRHVAU-UHFFFAOYSA-N	-2	0	311.341	2.736	50	0		DFAARL
O=C([O-])[C@@](O)(c1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F	ZINC000003619067	181042033	/nfs/dbraw/zinc/04/20/33/181042033.db2.gz	LCPXMAUXGJHWPZ-QMMMGPOBSA-N	-2	0	305.035	2.534	50	0		DFAARL
O=C([O-])c1ccc(Cl)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1	ZINC000018196642	304244412	/nfs/dbraw/zinc/24/44/12/304244412.db2.gz	HLFBZWAZGXZUSH-VHSXEESVSA-N	-2	0	323.732	2.644	50	0		DFAARL
O=C([O-])c1cc(NC(=O)c2ccccc2Cl)cc(C(=O)[O-])c1	ZINC000000064174	425533278	/nfs/dbraw/zinc/53/32/78/425533278.db2.gz	ZTPGEDDTXTWHKF-UHFFFAOYSA-N	-2	0	319.700	2.989	50	0		DFAARL
CCCC[C@@H](CCC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)[O-]	ZINC000002332636	425593284	/nfs/dbraw/zinc/59/32/84/425593284.db2.gz	AQDOJCJKQPMHOY-NSHDSACASA-N	-2	0	307.346	2.995	50	0		DFAARL
CC1(C)[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC[C@@]1(C)C(=O)[O-]	ZINC000004174809	181081784	/nfs/dbraw/zinc/08/17/84/181081784.db2.gz	VYQKLFAQJYCAQY-SJCJKPOMSA-N	-2	0	319.357	2.850	50	0		DFAARL
O=C([O-])c1cc(Br)c(C(=O)[O-])cc1Br	ZINC000000134032	304220910	/nfs/dbraw/zinc/22/09/10/304220910.db2.gz	VUTICWRXMKBOSF-UHFFFAOYSA-N	-2	0	323.924	2.608	50	0		DFAARL
CCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002132427	425591378	/nfs/dbraw/zinc/59/13/78/425591378.db2.gz	JAMUAKBPEKPDLM-ZWNOBZJWSA-N	-2	0	307.346	2.850	50	0		DFAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl	ZINC000048567802	425876189	/nfs/dbraw/zinc/87/61/89/425876189.db2.gz	YMDDQPMIUGFFKX-UHFFFAOYSA-N	-2	0	317.775	2.901	50	0		DFAARL
Cc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1	ZINC000095377444	426369075	/nfs/dbraw/zinc/36/90/75/426369075.db2.gz	CADRVQPRFLSBGG-UHFFFAOYSA-N	-2	0	321.354	2.508	50	0		DFAARL
COc1ccc(-c2c(C(=O)[O-])c(C)nc(C)c2C(=O)[O-])cc1	ZINC000019203175	295045548	/nfs/dbraw/zinc/04/55/48/295045548.db2.gz	NVGXQNBATWIBIP-UHFFFAOYSA-N	-2	0	301.298	2.770	50	0		DFAARL
CCC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000002132424	180911723	/nfs/dbraw/zinc/91/17/23/180911723.db2.gz	JAMUAKBPEKPDLM-GXFFZTMASA-N	-2	0	307.346	2.850	50	0		DFAARL
O=C([O-])CC1(CC(=O)Nc2cccc(C(=O)[O-])c2)CCCC1	ZINC000000151538	304043535	/nfs/dbraw/zinc/04/35/35/304043535.db2.gz	CJORVHVNDFGCPS-UHFFFAOYSA-N	-2	0	305.330	2.749	50	0		DFAARL
CCCC[C@H](COC(=O)c1ccccc1C(=O)[O-])CC(=O)[O-]	ZINC000005821706	181287271	/nfs/dbraw/zinc/28/72/71/181287271.db2.gz	CCNOZWPVQWCJFK-NSHDSACASA-N	-2	0	308.330	2.823	50	0	in-vitro	DFAARL
O=C([O-])CSC(SCC(=O)[O-])c1ccc(Cl)cc1	ZINC000004739861	304071770	/nfs/dbraw/zinc/07/17/70/304071770.db2.gz	ALAHYDJJVUIRAB-UHFFFAOYSA-N	-2	0	306.792	2.974	50	0		DFAARL
O=C([O-])c1ccc(OCCCOc2ccc(C(=O)[O-])cc2)cc1	ZINC000001846432	425587487	/nfs/dbraw/zinc/58/74/87/425587487.db2.gz	VBISQLWPGDULSX-UHFFFAOYSA-N	-2	0	316.309	2.931	50	0	in-man	DFAARL
Cc1cc(S[C@H](CC(=O)[O-])C(=O)[O-])c2cc(F)ccc2n1	ZINC000009423788	425687460	/nfs/dbraw/zinc/68/74/60/425687460.db2.gz	XHFPXCZNRNYZDN-GFCCVEGCSA-N	-2	0	309.318	2.702	50	0		DFAARL
Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1	ZINC000037462821	425848477	/nfs/dbraw/zinc/84/84/77/425848477.db2.gz	UNJICJRNMYFBJE-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL
Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1	ZINC000095377445	426369787	/nfs/dbraw/zinc/36/97/87/426369787.db2.gz	BTSODUZUIPBYPQ-UHFFFAOYSA-N	-2	0	321.354	2.508	50	0		DFAARL
O=C([O-])C[C@@H](C(=O)[O-])c1ccc(Br)c(Cl)c1	ZINC000675055804	563909865	/nfs/dbraw/zinc/90/98/65/563909865.db2.gz	YKIIARASGDJQPZ-ZCFIWIBFSA-N	-2	0	307.527	2.745	50	0		DFAARL
O=C([O-])C[C@H](C(=O)[O-])c1cc(Br)ccc1Cl	ZINC000675055729	563909871	/nfs/dbraw/zinc/90/98/71/563909871.db2.gz	XCJGWFJOLQSUIX-ZETCQYMHSA-N	-2	0	307.527	2.745	50	0		DFAARL
CC1(C)[C@@H](C(=O)Nc2ccccc2C(=O)[O-])CC[C@]1(C)C(=O)[O-]	ZINC000004380050	398349875	/nfs/dbraw/zinc/34/98/75/398349875.db2.gz	DSZCZBJFFVGVEJ-PIGZYNQJSA-N	-2	0	319.357	2.850	50	0		DFAARL
CC1(C)[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC[C@@]1(C)C(=O)[O-]	ZINC000004811424	181155580	/nfs/dbraw/zinc/15/55/80/181155580.db2.gz	CJJSEBJKIPJYCU-PXAZEXFGSA-N	-2	0	319.357	2.850	50	0		DFAARL
O=C([O-])c1ccc(-n2cc(C(=O)c3ccccc3[O-])cn2)cc1	ZINC000005764107	181281670	/nfs/dbraw/zinc/28/16/70/181281670.db2.gz	YQGKRZHXRPCXLV-UHFFFAOYSA-N	-2	0	308.293	2.507	50	0		DFAARL
Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000015243832	425779433	/nfs/dbraw/zinc/77/94/33/425779433.db2.gz	JZGXBDJDRXIRMK-UHFFFAOYSA-N	-2	0	311.384	2.864	50	0		DFAARL
Cc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1C(=O)[O-]	ZINC000044750164	425857681	/nfs/dbraw/zinc/85/76/81/425857681.db2.gz	PINMEUOMRKQBKA-UHFFFAOYSA-N	-2	0	309.318	2.633	50	0		DFAARL