smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N1C(=O)[N-]C(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1=O	ZINC000020567701	570268251	/nfs/dbraw/zinc/26/82/51/570268251.db2.gz	IGSIGDSWMBFVMP-BMQCOBNYSA-N	-2	0	384.392	1.124	50	10		GDCARL
CCOc1cc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000001749677	570421421	/nfs/dbraw/zinc/42/14/21/570421421.db2.gz	QMNXCEFSSRYEJH-TZZQWBKVSA-N	-2	0	397.430	1.920	50	10		GDCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC000100931949	570781406	/nfs/dbraw/zinc/78/14/06/570781406.db2.gz	SRLSBWRWTYDAQD-WJDWOHSUSA-N	-2	0	399.432	1.762	50	10		GDCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000004357092	204041193	/nfs/dbraw/zinc/04/11/93/204041193.db2.gz	MOVUGJQPYGHZNW-UMWYPWBCSA-N	-2	0	381.387	1.544	50	10		GDCARL
CN1C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C(=O)N(C)C1=O	ZINC000005557843	204139669	/nfs/dbraw/zinc/13/96/69/204139669.db2.gz	UCDVWXOGTDYCKY-UHFFFAOYSA-N	-2	0	398.327	1.777	50	10		GDCARL
COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004357021	570696845	/nfs/dbraw/zinc/69/68/45/570696845.db2.gz	MBDANUPUXGIJDQ-CHPNCVJKSA-N	-2	0	395.414	1.602	50	10		GDCARL
NS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1[O-]	ZINC000089873264	530808456	/nfs/dbraw/zinc/80/84/56/530808456.db2.gz	BJDRVFGDXMCIKG-UHFFFAOYSA-N	-2	0	378.431	1.994	50	10		GDCARL
COc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)c(OC)c1	ZINC000013617656	204498257	/nfs/dbraw/zinc/49/82/57/204498257.db2.gz	HBKHSMHNSXCFNL-IUIMMGEKSA-N	-2	0	397.430	1.833	50	10		GDCARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccc3nsnc31)OCCO2	ZINC000019078997	570727629	/nfs/dbraw/zinc/72/76/29/570727629.db2.gz	CNVXYSYZDFENRZ-UHFFFAOYSA-N	-2	0	393.402	1.962	50	10		GDCARL
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002818318	570304753	/nfs/dbraw/zinc/30/47/53/570304753.db2.gz	VAWPPGHCQCRFJW-OPYOOOJUSA-N	-2	0	397.430	1.833	50	10		GDCARL
O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CNc1ccccc1	ZINC000004115895	204027423	/nfs/dbraw/zinc/02/74/23/204027423.db2.gz	QOXFLIGUNWRWFZ-GXDHUFHOSA-N	-2	0	387.373	1.717	50	10		GDCARL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1	ZINC000000706534	570296715	/nfs/dbraw/zinc/29/67/15/570296715.db2.gz	NVPVFFMZDATEQL-UKTHLTGXSA-N	-2	0	384.319	1.956	50	10		GDCARL
COc1cc(/C=C2/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000001893659	203922796	/nfs/dbraw/zinc/92/27/96/203922796.db2.gz	UMYYNCKLFGSTRQ-SZUMLMDFSA-N	-2	0	397.430	1.920	50	10		GDCARL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000006975160	204227777	/nfs/dbraw/zinc/22/77/77/204227777.db2.gz	WUGJMCDJICCUSG-QPEQYQDCSA-N	-2	0	380.312	1.780	50	10		GDCARL
COc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)c(OC)c1	ZINC000001787858	570268415	/nfs/dbraw/zinc/26/84/15/570268415.db2.gz	HBKHSMHNSXCFNL-YIVIPITNSA-N	-2	0	397.430	1.833	50	10		GDCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000002684941	530532560	/nfs/dbraw/zinc/53/25/60/530532560.db2.gz	XLKGZHKQYGJEQY-RAJVOEEQSA-N	-2	0	382.375	1.724	50	10		GDCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000001909837	570270137	/nfs/dbraw/zinc/27/01/37/570270137.db2.gz	DYACMNAJQCQSSV-ASGQQMQCSA-N	-2	0	392.414	1.528	50	10		GDCARL
CCOc1cc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000015223338	570787983	/nfs/dbraw/zinc/78/79/83/570787983.db2.gz	QMNXCEFSSRYEJH-DKBJHAQFSA-N	-2	0	397.430	1.920	50	10		GDCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000002684938	530532606	/nfs/dbraw/zinc/53/26/06/530532606.db2.gz	XLKGZHKQYGJEQY-QFQXNISHSA-N	-2	0	382.375	1.724	50	10		GDCARL
COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1[O-]	ZINC000013546367	570757441	/nfs/dbraw/zinc/75/74/41/570757441.db2.gz	SAWFOHQCUJZQMT-MDWZMJQESA-N	-2	0	383.316	1.975	50	10		GDCARL
COc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000032508928	530607679	/nfs/dbraw/zinc/60/76/79/530607679.db2.gz	PSJZIFWEFSBZHD-SDZLHINSSA-N	-2	0	383.403	1.530	50	10		GDCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015219378	136201834	/nfs/dbraw/zinc/20/18/34/136201834.db2.gz	PBAHCAFAEWAGED-KPKJPENVSA-N	-2	0	383.316	1.975	50	10		GDCARL
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000012569840	570680825	/nfs/dbraw/zinc/68/08/25/570680825.db2.gz	UMYYNCKLFGSTRQ-JBBGTMGVSA-N	-2	0	397.430	1.920	50	10	biogenic	GDCARL
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002818316	570304681	/nfs/dbraw/zinc/30/46/81/570304681.db2.gz	VAWPPGHCQCRFJW-UGZWPXFQSA-N	-2	0	397.430	1.833	50	10		GDCARL
COc1cc(/C=C2/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000001893662	206392647	/nfs/dbraw/zinc/39/26/47/206392647.db2.gz	UMYYNCKLFGSTRQ-SZJBZFAYSA-N	-2	0	397.430	1.920	50	10		GDCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	ZINC000004357095	530535772	/nfs/dbraw/zinc/53/57/72/530535772.db2.gz	MOVUGJQPYGHZNW-HCNJTKSQSA-N	-2	0	381.387	1.544	50	10		GDCARL
O=C([O-])COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000004825370	570292886	/nfs/dbraw/zinc/29/28/86/570292886.db2.gz	AJIXJHUWVHEBQD-OQLLNIDSSA-N	-2	0	398.346	1.951	50	10		GDCARL
COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000004357018	570696837	/nfs/dbraw/zinc/69/68/37/570696837.db2.gz	MBDANUPUXGIJDQ-OYUORYAFSA-N	-2	0	395.414	1.602	50	10		GDCARL
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000004704577	570395826	/nfs/dbraw/zinc/39/58/26/570395826.db2.gz	MWADCCMOYPULHW-UHFFFAOYSA-N	-2	0	396.355	1.722	50	10		GDCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1	ZINC000019593779	207144150	/nfs/dbraw/zinc/14/41/50/207144150.db2.gz	NFHQTWFGUZTMMA-ZROIWOOFSA-N	-2	0	381.344	1.978	50	10		GDCARL
CC[C@H](C)[C@H](NC=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000020358184	207190606	/nfs/dbraw/zinc/19/06/06/207190606.db2.gz	PKZUWCDMMNHAON-FFVMJPMASA-N	-2	0	379.413	1.546	50	10		GDCARL
O=C([O-])c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000004703311	570395461	/nfs/dbraw/zinc/39/54/61/570395461.db2.gz	ZWWDNLQRGWJMTF-NTUHNPAUSA-N	-2	0	380.312	1.780	50	10		GDCARL
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)[O-])C2=O)cc1	ZINC000002967864	136196513	/nfs/dbraw/zinc/19/65/13/136196513.db2.gz	VXRZZJVCJKWLMN-XNTDXEJSSA-N	-2	0	396.355	1.825	50	10		GDCARL
CN1c2ccccc2/C(=C2/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)C1=O	ZINC000012437009	570662620	/nfs/dbraw/zinc/66/26/20/570662620.db2.gz	VNJZJSFILOXGFB-NPAAXYOMSA-N	-2	0	392.414	1.162	50	10		GDCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000002684935	206250234	/nfs/dbraw/zinc/25/02/34/206250234.db2.gz	XLKGZHKQYGJEQY-UMYFRRCYSA-N	-2	0	382.375	1.724	50	10		GDCARL
CC[C@H](C)[C@@H](NC=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000020358182	207190411	/nfs/dbraw/zinc/19/04/11/207190411.db2.gz	PKZUWCDMMNHAON-QUMQCBJBSA-N	-2	0	379.413	1.546	50	10		GDCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000002293260	530532117	/nfs/dbraw/zinc/53/21/17/530532117.db2.gz	YFUOOIQIDRFCBL-OZEWEUHLSA-N	-2	0	378.387	1.138	50	10		GDCARL
COc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)c(OC)c1	ZINC000001787862	206392377	/nfs/dbraw/zinc/39/23/77/206392377.db2.gz	HBKHSMHNSXCFNL-STCRIKGOSA-N	-2	0	397.430	1.833	50	10		GDCARL
O=C1[N-]C(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)C(=O)N1	ZINC000005567094	530539896	/nfs/dbraw/zinc/53/98/96/530539896.db2.gz	AMNDXUMFUGWIND-UHFFFAOYSA-N	-2	0	389.987	1.667	50	10		GDCARL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3nsnc32)cc(C(=O)[O-])c1	ZINC000020057928	530569166	/nfs/dbraw/zinc/56/91/66/530569166.db2.gz	DCLNRWHLLLGBTM-UHFFFAOYSA-N	-3	0	379.375	1.889	50	10		GDCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000001909841	206394853	/nfs/dbraw/zinc/39/48/53/206394853.db2.gz	DYACMNAJQCQSSV-NPAAXYOMSA-N	-2	0	392.414	1.528	50	10		GDCARL
CCOc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000002121672	206399283	/nfs/dbraw/zinc/39/92/83/206399283.db2.gz	YNCBIKOEOBCJQK-WUXMJOGZSA-N	-2	0	397.430	1.835	50	10		GDCARL
CC(C)N1C(=O)[N-]C(=O)C(=CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1=O	ZINC000020567700	207202513	/nfs/dbraw/zinc/20/25/13/207202513.db2.gz	IGSIGDSWMBFVMP-GLNPCMGASA-N	-2	0	384.392	1.124	50	10		GDCARL
COc1ccc(N2CCN(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CC2(C)C)cc1	ZINC000426470930	534008082	/nfs/dbraw/zinc/00/80/82/534008082.db2.gz	VLJUDRYWHKNVIG-AWEZNQCLSA-N	-2	0	379.413	1.233	50	10		GDCARL
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000012569839	570680802	/nfs/dbraw/zinc/68/08/02/570680802.db2.gz	UMYYNCKLFGSTRQ-PPLKPFPSSA-N	-2	0	397.430	1.920	50	10	biogenic	GDCARL
CC[C@@H](C)[C@@H](NC=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000020358181	210329965	/nfs/dbraw/zinc/32/99/65/210329965.db2.gz	PKZUWCDMMNHAON-ZSKORGCUSA-N	-2	0	379.413	1.546	50	10		GDCARL
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000002207242	209349699	/nfs/dbraw/zinc/34/96/99/209349699.db2.gz	NDBWLORJJHHUKK-VZUCSPMQSA-N	-2	0	383.403	1.444	50	10		GDCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S	ZINC000002293258	209355242	/nfs/dbraw/zinc/35/52/42/209355242.db2.gz	YFUOOIQIDRFCBL-IZXMIOPHSA-N	-2	0	378.387	1.138	50	10		GDCARL
CCOc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000015223336	570787872	/nfs/dbraw/zinc/78/78/72/570787872.db2.gz	QMNXCEFSSRYEJH-TXEUWIOXSA-N	-2	0	397.430	1.920	50	10		GDCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S	ZINC000002684943	209376800	/nfs/dbraw/zinc/37/68/00/209376800.db2.gz	XLKGZHKQYGJEQY-JRZFIGEHSA-N	-2	0	382.375	1.724	50	10		GDCARL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1	ZINC000002280839	209354570	/nfs/dbraw/zinc/35/45/70/209354570.db2.gz	ZVCDHOBXFQKLIZ-CXUHLZMHSA-N	-2	0	398.346	1.951	50	10		GDCARL
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000002883880	209395198	/nfs/dbraw/zinc/39/51/98/209395198.db2.gz	OHPHCCDAEWCJFX-XBXARRHUSA-N	-2	0	383.154	1.004	50	10		GDCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(O)c(C(=O)[O-])c3)C2=O)c1	ZINC000033913197	570500481	/nfs/dbraw/zinc/50/04/81/570500481.db2.gz	WYUNXTGOCDPFOM-ZROIWOOFSA-N	-2	0	381.344	1.978	50	10		GDCARL
O=C([O-])COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000004807462	209527057	/nfs/dbraw/zinc/52/70/57/209527057.db2.gz	UHLZOSNTPWPXNK-GDNBJRDFSA-N	-2	0	380.356	1.812	50	10		GDCARL
C[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000002278380	209354649	/nfs/dbraw/zinc/35/46/49/209354649.db2.gz	LNJBLDKBMPLHDE-ZCCYMHNXSA-N	-2	0	392.414	1.162	50	10		GDCARL
CCOc1cc(/C=C2/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000001749673	209338972	/nfs/dbraw/zinc/33/89/72/209338972.db2.gz	QMNXCEFSSRYEJH-DAVUEJTQSA-N	-2	0	397.430	1.920	50	10		GDCARL
COCCCN1C(=O)[N-]C(=O)C(=CNCC2(CC(=O)[O-])CCCCC2)C1=O	ZINC000020623630	210354268	/nfs/dbraw/zinc/35/42/68/210354268.db2.gz	KEGQHSYJGRICHQ-QBFSEMIESA-N	-2	0	381.429	1.000	50	10		GDCARL
COc1cc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)ccc1O	ZINC000032508929	530607645	/nfs/dbraw/zinc/60/76/45/530607645.db2.gz	PSJZIFWEFSBZHD-SOUAVXJDSA-N	-2	0	383.403	1.530	50	10		GDCARL
COc1ccc(N2CCN(C(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CC2(C)C)cc1	ZINC000426470934	534009248	/nfs/dbraw/zinc/00/92/48/534009248.db2.gz	VLJUDRYWHKNVIG-CQSZACIVSA-N	-2	0	379.413	1.233	50	10		GDCARL
CSCC[C@@H](NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000002428287	209364266	/nfs/dbraw/zinc/36/42/66/209364266.db2.gz	WGKMCTWPPVLAEV-JATZPVMKSA-N	-2	0	381.385	1.088	50	10		GDCARL
O=C([O-])CC[C@@H](C/C=C1\C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000002409548	209362485	/nfs/dbraw/zinc/36/24/85/209362485.db2.gz	QVCKOCWTVQKOOC-SZJBZFAYSA-N	-3	0	394.380	1.456	50	10		GDCARL
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000005101379	570731323	/nfs/dbraw/zinc/73/13/23/570731323.db2.gz	DVNDVDYXVMYMRE-UHFFFAOYSA-N	-2	0	396.355	1.722	50	10		GDCARL
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C1=O	ZINC000009358110	221079240	/nfs/dbraw/zinc/07/92/40/221079240.db2.gz	RLSRIWVJUFVMDY-GXDHUFHOSA-N	-2	0	396.355	1.825	50	10		GDCARL
COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000013776425	221288266	/nfs/dbraw/zinc/28/82/66/221288266.db2.gz	CVCDSBXMMUQABD-GWHHBTOMSA-N	-2	0	397.430	1.833	50	10		GDCARL
O=C([O-])c1ccc(N2C(=O)[N-]C(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1	ZINC000002990690	136196543	/nfs/dbraw/zinc/19/65/43/136196543.db2.gz	WUGJMCDJICCUSG-NTUHNPAUSA-N	-2	0	380.312	1.780	50	10		GDCARL
COc1cccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)c1OC	ZINC000013768708	221287963	/nfs/dbraw/zinc/28/79/63/221287963.db2.gz	VNXCOFXMMICVKB-NJQKBMNKSA-N	-2	0	397.430	1.833	50	10		GDCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000101622794	570828136	/nfs/dbraw/zinc/82/81/36/570828136.db2.gz	MSMMIXYCQPRRRG-NTEUORMPSA-N	-2	0	381.344	1.978	50	10		GDCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000020494038	570263785	/nfs/dbraw/zinc/26/37/85/570263785.db2.gz	MSMMIXYCQPRRRG-ZROIWOOFSA-N	-2	0	381.344	1.978	50	10		GDCARL
COc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000013659506	221279672	/nfs/dbraw/zinc/27/96/72/221279672.db2.gz	NDBWLORJJHHUKK-WZUFQYTHSA-N	-2	0	383.403	1.444	50	10		GDCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1O	ZINC000001147262	136195953	/nfs/dbraw/zinc/19/59/53/136195953.db2.gz	LHNKOPZFWUNDKV-MDWZMJQESA-N	-2	0	382.328	1.765	50	10		GDCARL
COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)c1	ZINC000013776423	221287977	/nfs/dbraw/zinc/28/79/77/221287977.db2.gz	CVCDSBXMMUQABD-OGGBREFQSA-N	-2	0	397.430	1.833	50	10		GDCARL
CC[C@@H](C)[C@H](NC=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O)C(=O)[O-]	ZINC000020358183	570253115	/nfs/dbraw/zinc/25/31/15/570253115.db2.gz	PKZUWCDMMNHAON-SKUMXWNJSA-N	-2	0	379.413	1.546	50	10		GDCARL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc([O-])c(S(N)(=O)=O)c1	ZINC000095444497	530817595	/nfs/dbraw/zinc/81/75/95/530817595.db2.gz	ZHYPSUCKPHQTRF-UHFFFAOYSA-N	-2	0	387.395	1.057	50	10		GDCARL
CN1c2ccccc2/C(=C2/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)C1=O	ZINC000012437008	221193105	/nfs/dbraw/zinc/19/31/05/221193105.db2.gz	VNJZJSFILOXGFB-ASGQQMQCSA-N	-2	0	392.414	1.162	50	10		GDCARL
CCOc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000016688955	221369116	/nfs/dbraw/zinc/36/91/16/221369116.db2.gz	YNCBIKOEOBCJQK-SDQBBNPISA-N	-2	0	397.430	1.835	50	10		GDCARL
C[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(CC(=O)[O-])C2=O)SC1=S	ZINC000002278378	220518652	/nfs/dbraw/zinc/51/86/52/220518652.db2.gz	LNJBLDKBMPLHDE-VCKOUUQGSA-N	-2	0	392.414	1.162	50	10		GDCARL
COC(=O)c1ccc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000032707981	570751731	/nfs/dbraw/zinc/75/17/31/570751731.db2.gz	MBDANUPUXGIJDQ-VUUNSECVSA-N	-2	0	395.414	1.602	50	10		GDCARL
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1[O-]	ZINC000036651842	221863980	/nfs/dbraw/zinc/86/39/80/221863980.db2.gz	RMTNDJNGPDCERH-ONNFQVAWSA-N	-2	0	384.391	1.985	50	10		GDCARL
COC(=O)c1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)cc1	ZINC000032707978	570751624	/nfs/dbraw/zinc/75/16/24/570751624.db2.gz	MBDANUPUXGIJDQ-OTXQMUPVSA-N	-2	0	395.414	1.602	50	10		GDCARL
COc1cccc(/C=C2\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C2=O)c1OC	ZINC000013768706	221288309	/nfs/dbraw/zinc/28/83/09/221288309.db2.gz	VNXCOFXMMICVKB-ISAHRAOESA-N	-2	0	397.430	1.833	50	10		GDCARL
O=C([O-])CCN1C(=O)/C(=C2/C(=O)N(CC(=O)[O-])c3ccccc32)SC1=S	ZINC000001811552	212257847	/nfs/dbraw/zinc/25/78/47/212257847.db2.gz	BJKJQMFIKYKMMU-SEYXRHQNSA-N	-2	0	392.414	1.164	50	10		GDCARL
O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=CNc1ccccc1	ZINC000013897291	221292831	/nfs/dbraw/zinc/29/28/31/221292831.db2.gz	QOXFLIGUNWRWFZ-UVTDQMKNSA-N	-2	0	387.373	1.717	50	10		GDCARL
COc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C2=O)c(OC)c1	ZINC000013617657	221276899	/nfs/dbraw/zinc/27/68/99/221276899.db2.gz	HBKHSMHNSXCFNL-CGYDICSFSA-N	-2	0	397.430	1.833	50	10		GDCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1	ZINC000100821617	570560768	/nfs/dbraw/zinc/56/07/68/570560768.db2.gz	SRLSBWRWTYDAQD-LFIBNONCSA-N	-2	0	399.432	1.762	50	10		GDCARL