smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000002979035	132261057	/nfs/dbraw/zinc/26/10/57/132261057.db2.gz	ZTORDMOINPMZIK-MPMPPSQCSA-N	-2	0	424.478	2.987	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000008660981	132332004	/nfs/dbraw/zinc/33/20/04/132332004.db2.gz	WAVCZCZIHBICOQ-KMTKGMGQSA-N	-2	0	418.478	2.708	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000009191580	132337058	/nfs/dbraw/zinc/33/70/58/132337058.db2.gz	USWMDMFBKOEGGC-ADVGAGMGSA-N	-2	0	422.441	2.539	50	10		HFCARL
C[C@@H](Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000012381032	132359231	/nfs/dbraw/zinc/35/92/31/132359231.db2.gz	KMSRNEIUMVWFIJ-WIWNTQSISA-N	-2	0	414.801	2.858	50	10		HFCARL
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-]	ZINC000002961733	536597521	/nfs/dbraw/zinc/59/75/21/536597521.db2.gz	AMXZIJCRTPDPJL-NTEUORMPSA-N	-2	0	400.774	2.713	50	10		HFCARL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002983077	557435922	/nfs/dbraw/zinc/43/59/22/557435922.db2.gz	FRQCAOQWRLVDTN-XDUBLRSXSA-N	-2	0	410.451	2.678	50	10		HFCARL
COc1ccc2c(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)c[nH]c2c1	ZINC000051330864	560875670	/nfs/dbraw/zinc/87/56/70/560875670.db2.gz	FRPXQEFBXYYSHJ-LNYFCXHSSA-N	-2	0	420.468	2.696	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000100149904	559164550	/nfs/dbraw/zinc/16/45/50/559164550.db2.gz	RJLFMNCWMGVXQF-YPOUMIDOSA-N	-2	0	402.410	2.543	50	10		HFCARL
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000036047419	569082713	/nfs/dbraw/zinc/08/27/13/569082713.db2.gz	WRRZZAZIGIYVLF-XGICHPGQSA-N	-2	0	403.778	2.732	50	10		HFCARL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000000875973	527641975	/nfs/dbraw/zinc/64/19/75/527641975.db2.gz	QUZLRQNDPZNXEC-NTEUORMPSA-N	-2	0	423.425	2.696	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000100149908	559130753	/nfs/dbraw/zinc/13/07/53/559130753.db2.gz	RJLFMNCWMGVXQF-KMTKGMGQSA-N	-2	0	402.410	2.543	50	10		HFCARL
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-]	ZINC000016226082	560859524	/nfs/dbraw/zinc/85/95/24/560859524.db2.gz	HWNTZGPNIAVPCP-ZSOIEALJSA-N	-2	0	411.326	2.808	50	10		HFCARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000033330014	568696933	/nfs/dbraw/zinc/69/69/33/568696933.db2.gz	WXKXTOUZKAJAAO-ZROIWOOFSA-N	-2	0	400.387	2.961	50	10		HFCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1C	ZINC000002979468	132261107	/nfs/dbraw/zinc/26/11/07/132261107.db2.gz	VIXVRUGOXFYVEY-SWEABUAFSA-N	-2	0	408.410	2.822	50	10		HFCARL
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)C1=O	ZINC000004703692	557584273	/nfs/dbraw/zinc/58/42/73/557584273.db2.gz	FQEMASCCXOGIHW-RIYZIHGNSA-N	-2	0	414.801	2.709	50	10		HFCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C2=O)c1	ZINC000002982932	557777397	/nfs/dbraw/zinc/77/73/97/557777397.db2.gz	ARUXVSYIRBTWIW-RIYZIHGNSA-N	-2	0	414.801	2.778	50	10		HFCARL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000017057512	558813338	/nfs/dbraw/zinc/81/33/38/558813338.db2.gz	CZEJIMLLFXJWQC-SXGWCWSVSA-N	-2	0	424.409	2.646	50	10		HFCARL
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)c(C)c1	ZINC000004821930	559150015	/nfs/dbraw/zinc/15/00/15/559150015.db2.gz	IHWAINKISWKVAP-LICLKQGHSA-N	-2	0	408.410	2.742	50	10		HFCARL
COc1ccc2c(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)c[nH]c2c1	ZINC000051330866	560875699	/nfs/dbraw/zinc/87/56/99/560875699.db2.gz	FRPXQEFBXYYSHJ-KKMLBMJLSA-N	-2	0	420.468	2.696	50	10		HFCARL
Cc1cc([N+](=O)[O-])cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)c1[O-]	ZINC000015836311	569013208	/nfs/dbraw/zinc/01/32/08/569013208.db2.gz	QZRZVROOVJLPFM-ZSOIEALJSA-N	-2	0	418.203	2.833	50	10		HFCARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000002305059	132252170	/nfs/dbraw/zinc/25/21/70/132252170.db2.gz	SKSTVFWOEDQNMA-FHXOWUIVSA-N	-2	0	424.409	2.604	50	10		HFCARL
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000002375663	132253681	/nfs/dbraw/zinc/25/36/81/132253681.db2.gz	UIJKGSQGFSTCOS-WOJGMQOQSA-N	-2	0	408.410	2.940	50	10		HFCARL
C[C@H](Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)C(=O)[O-]	ZINC000015821992	558754730	/nfs/dbraw/zinc/75/47/30/558754730.db2.gz	HSNFDVHQWJDGPX-UXYFDLPDSA-N	-2	0	424.365	2.774	50	10		HFCARL
COc1ccc2c(/C=C3/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)c[nH]c2c1	ZINC000009576359	571269833	/nfs/dbraw/zinc/26/98/33/571269833.db2.gz	FRPXQEFBXYYSHJ-IAEDUXEVSA-N	-2	0	420.468	2.696	50	10		HFCARL
Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)[N-]C1=S	ZINC000002144229	132248956	/nfs/dbraw/zinc/24/89/56/132248956.db2.gz	QODBGRYTNYPGEG-MHWRWJLKSA-N	-2	0	419.462	2.866	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O	ZINC000100221646	559132223	/nfs/dbraw/zinc/13/22/23/559132223.db2.gz	OPGWHUKWAMGKGS-LSCADSNKSA-N	-2	0	416.437	2.852	50	10		HFCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000008753610	571112776	/nfs/dbraw/zinc/11/27/76/571112776.db2.gz	NMJSKRGHXFRERG-JRZFIGEHSA-N	-2	0	416.274	2.578	50	10		HFCARL
Cc1ccccc1N1C(=O)/C(=C\c2cn(CC(=O)[O-])c3ccccc23)C(=O)[N-]C1=S	ZINC000009263217	132337802	/nfs/dbraw/zinc/33/78/02/132337802.db2.gz	QODBGRYTNYPGEG-YBEGLDIGSA-N	-2	0	419.462	2.866	50	10		HFCARL
CCc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000009311461	132338457	/nfs/dbraw/zinc/33/84/57/132338457.db2.gz	MPJDNUYJFTXQPH-CYUIRQCWSA-N	-2	0	424.478	2.932	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000102571995	560816734	/nfs/dbraw/zinc/81/67/34/560816734.db2.gz	USWMDMFBKOEGGC-AYYGCFCKSA-N	-2	0	422.441	2.950	50	10		HFCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000012363137	132359044	/nfs/dbraw/zinc/35/90/44/132359044.db2.gz	MVWVGAHEKKTOHW-MFVBVHDHSA-N	-2	0	410.451	2.678	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000016945564	558809697	/nfs/dbraw/zinc/80/96/97/558809697.db2.gz	XNEPUFVOXNUGAD-FEEIMYBTSA-N	-2	0	422.441	2.950	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000100560028	559226338	/nfs/dbraw/zinc/22/63/38/559226338.db2.gz	DMBNRBIUHRYQFY-LSCADSNKSA-N	-2	0	416.437	2.852	50	10		HFCARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000016225728	560859519	/nfs/dbraw/zinc/85/95/19/560859519.db2.gz	UVYITSJCMOQOLN-RIYZIHGNSA-N	-2	0	411.326	2.565	50	10		HFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S	ZINC000009423875	571257717	/nfs/dbraw/zinc/25/77/17/571257717.db2.gz	KZMILANJCUWEQX-CKXDQPNJSA-N	-2	0	402.453	2.754	50	10		HFCARL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002969443	132261024	/nfs/dbraw/zinc/26/10/24/132261024.db2.gz	VQQZXRCBQSOTIH-VLURKWGBSA-N	-2	0	424.478	2.932	50	10		HFCARL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)o1	ZINC000004677923	132282490	/nfs/dbraw/zinc/28/24/90/132282490.db2.gz	WWXGTIMEKLWIGO-MHWRWJLKSA-N	-2	0	403.350	2.706	50	10		HFCARL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccnc4)C3=O)o2)c1	ZINC000004677909	132282534	/nfs/dbraw/zinc/28/25/34/132282534.db2.gz	DZQMAKATZBSZII-YBEGLDIGSA-N	-2	0	403.350	2.706	50	10		HFCARL
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC(=O)[O-])cc3)C2=O)cc1	ZINC000009168635	132336830	/nfs/dbraw/zinc/33/68/30/132336830.db2.gz	UIJKGSQGFSTCOS-WQRHYEAKSA-N	-2	0	408.410	2.940	50	10		HFCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@@H](C)C(=O)[O-])C2=O)cc1	ZINC000010059503	132345045	/nfs/dbraw/zinc/34/50/45/132345045.db2.gz	SHNJCESDUMUPLB-VLURKWGBSA-N	-2	0	424.409	2.604	50	10		HFCARL
C[C@H](Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000012381031	132359248	/nfs/dbraw/zinc/35/92/48/132359248.db2.gz	KMSRNEIUMVWFIJ-RCEBRVLHSA-N	-2	0	414.801	2.858	50	10		HFCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000032707993	527624835	/nfs/dbraw/zinc/62/48/35/527624835.db2.gz	NMJSKRGHXFRERG-UMYFRRCYSA-N	-2	0	416.274	2.578	50	10		HFCARL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1	ZINC000004747747	559046109	/nfs/dbraw/zinc/04/61/09/559046109.db2.gz	BWEJEQPOMHIQRI-QGOAFFKASA-N	-2	0	407.426	2.970	50	10		HFCARL
CCN1C(=O)[N-]C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)[O-])c3)c2C)C1=O	ZINC000005781442	568718279	/nfs/dbraw/zinc/71/82/79/568718279.db2.gz	GYZPXNKNXOQLQK-NVNXTCNLSA-N	-2	0	415.833	2.927	50	10		HFCARL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002355855	132253259	/nfs/dbraw/zinc/25/32/59/132253259.db2.gz	KMSRNEIUMVWFIJ-UJFYRASASA-N	-2	0	414.801	2.858	50	10		HFCARL
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002814083	132257986	/nfs/dbraw/zinc/25/79/86/132257986.db2.gz	MVWVGAHEKKTOHW-HNEYUBDGSA-N	-2	0	410.451	2.678	50	10		HFCARL
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000004711863	132285322	/nfs/dbraw/zinc/28/53/22/132285322.db2.gz	WPDNGBFAIBAUHF-QGOAFFKASA-N	-2	0	401.378	2.842	50	10		HFCARL
Cc1cccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c1C	ZINC000009263199	132337757	/nfs/dbraw/zinc/33/77/57/132337757.db2.gz	MKXLYMDRPPNJHT-RQNDZEIBSA-N	-2	0	424.478	2.987	50	10		HFCARL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000022034028	558985336	/nfs/dbraw/zinc/98/53/36/558985336.db2.gz	FJFRIJDWRDECFX-KPKJPENVSA-N	-2	0	403.803	2.785	50	10		HFCARL
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000013477238	560811027	/nfs/dbraw/zinc/81/10/27/560811027.db2.gz	YNAQXOYOKJXDQD-JYRVWZFOSA-N	-2	0	404.176	2.524	50	10		HFCARL
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000002990802	132261295	/nfs/dbraw/zinc/26/12/95/132261295.db2.gz	DEHRSIBXJPHMFA-NTEUORMPSA-N	-2	0	400.774	2.713	50	10		HFCARL
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Cl	ZINC000002971276	132261082	/nfs/dbraw/zinc/26/10/82/132261082.db2.gz	BXHBXGLJMWLQKW-AWNIVKPZSA-N	-2	0	418.764	2.609	50	10		HFCARL
Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c1C	ZINC000006565983	132311681	/nfs/dbraw/zinc/31/16/81/132311681.db2.gz	MKXLYMDRPPNJHT-MPMPPSQCSA-N	-2	0	424.478	2.987	50	10		HFCARL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Sc2nc[nH]n2)c1	ZINC000015919301	558761827	/nfs/dbraw/zinc/76/18/27/558761827.db2.gz	ROGMLDFSXQITLL-UHFFFAOYSA-N	-2	0	407.433	2.679	50	10		HFCARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000033455674	559194009	/nfs/dbraw/zinc/19/40/09/559194009.db2.gz	XRYAKJJVIVQYDU-ZROIWOOFSA-N	-2	0	411.326	2.565	50	10		HFCARL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000002355858	132253269	/nfs/dbraw/zinc/25/32/69/132253269.db2.gz	KMSRNEIUMVWFIJ-LKBVRNOZSA-N	-2	0	414.801	2.858	50	10		HFCARL
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000002982280	558780101	/nfs/dbraw/zinc/78/01/01/558780101.db2.gz	FBLVKSVBGQBYOO-VGOFMYFVSA-N	-2	0	402.453	2.979	50	10		HFCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1C	ZINC000002979466	132261067	/nfs/dbraw/zinc/26/10/67/132261067.db2.gz	VIXVRUGOXFYVEY-MPMPPSQCSA-N	-2	0	408.410	2.822	50	10		HFCARL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	ZINC000004703308	132283859	/nfs/dbraw/zinc/28/38/59/132283859.db2.gz	RZPYGPYBRPXIIF-CXUHLZMHSA-N	-2	0	407.357	2.531	50	10		HFCARL
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000002979037	132261048	/nfs/dbraw/zinc/26/10/48/132261048.db2.gz	ZTORDMOINPMZIK-SWEABUAFSA-N	-2	0	424.478	2.987	50	10		HFCARL
CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000002989336	132261269	/nfs/dbraw/zinc/26/12/69/132261269.db2.gz	OCUFYYIUYCCLCN-LFIBNONCSA-N	-2	0	424.409	2.849	50	10		HFCARL
CCc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000009311462	132338507	/nfs/dbraw/zinc/33/85/07/132338507.db2.gz	MPJDNUYJFTXQPH-FDIDITGRSA-N	-2	0	424.478	2.932	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000100149916	559164604	/nfs/dbraw/zinc/16/46/04/559164604.db2.gz	FTKFJVSVRJFQAR-KTZOAPACSA-N	-2	0	422.828	2.888	50	10		HFCARL
O=C([O-])Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc21	ZINC000019877621	558300319	/nfs/dbraw/zinc/30/03/19/558300319.db2.gz	OGLWAABRBKSAOW-LZYBPNLTSA-N	-2	0	423.425	2.696	50	10		HFCARL
Cn1cc(/C=C2\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C2=O)c2ccccc21	ZINC000013777033	558592573	/nfs/dbraw/zinc/59/25/73/558592573.db2.gz	YYONBJMERXAXBK-HRYODUOUSA-N	-2	0	404.469	2.698	50	10		HFCARL
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1[O-]	ZINC000004724979	558926307	/nfs/dbraw/zinc/92/63/07/558926307.db2.gz	UXTDCPVRDJCQTI-WQLSENKSSA-N	-2	0	404.176	2.524	50	10		HFCARL
Cn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21	ZINC000004739993	559043311	/nfs/dbraw/zinc/04/33/11/559043311.db2.gz	YNHQZMMVHVDVNH-MHWRWJLKSA-N	-2	0	405.435	2.708	50	10		HFCARL
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000012462289	569401548	/nfs/dbraw/zinc/40/15/48/569401548.db2.gz	CKRDHLGUEYHUNO-AUWJEWJLSA-N	-2	0	416.817	2.582	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000001207445	132242479	/nfs/dbraw/zinc/24/24/79/132242479.db2.gz	RJLFMNCWMGVXQF-BOFQVRIASA-N	-2	0	402.410	2.748	50	10		HFCARL
O=C([O-])Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000002293035	132251753	/nfs/dbraw/zinc/25/17/53/132251753.db2.gz	QUZLRQNDPZNXEC-ZROIWOOFSA-N	-2	0	423.425	2.696	50	10		HFCARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1	ZINC000009008180	132334959	/nfs/dbraw/zinc/33/49/59/132334959.db2.gz	MAXYHOOEPSAQBC-LCYFTJDESA-N	-2	0	400.387	2.532	50	10		HFCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O[C@H](C)C(=O)[O-])C2=O)cc1	ZINC000010059504	132345097	/nfs/dbraw/zinc/34/50/97/132345097.db2.gz	SHNJCESDUMUPLB-LVLBFHFTSA-N	-2	0	424.409	2.604	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O	ZINC000013123332	558517778	/nfs/dbraw/zinc/51/77/78/558517778.db2.gz	RJLFMNCWMGVXQF-ZCWPUFOUSA-N	-2	0	402.410	2.543	50	10		HFCARL
Cn1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)c2ccccc21	ZINC000013777030	558592552	/nfs/dbraw/zinc/59/25/52/558592552.db2.gz	YYONBJMERXAXBK-IAOKNECISA-N	-2	0	404.469	2.698	50	10		HFCARL
C[C@H](Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)C(=O)[O-]	ZINC000019996512	568586232	/nfs/dbraw/zinc/58/62/32/568586232.db2.gz	HSNFDVHQWJDGPX-LWHXSLQUSA-N	-2	0	424.365	2.774	50	10		HFCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000012362899	132359050	/nfs/dbraw/zinc/35/90/50/132359050.db2.gz	ZTORDMOINPMZIK-FMNVXAMXSA-N	-2	0	424.478	2.987	50	10		HFCARL
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000002899813	535658576	/nfs/dbraw/zinc/65/85/76/535658576.db2.gz	LYTOMTSCDNDJLF-ZSOIEALJSA-N	-2	0	411.370	2.674	50	10		HFCARL
CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002158924	132248986	/nfs/dbraw/zinc/24/89/86/132248986.db2.gz	MPJDNUYJFTXQPH-HTMJNSLASA-N	-2	0	424.478	2.932	50	10		HFCARL
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002969447	132261124	/nfs/dbraw/zinc/26/11/24/132261124.db2.gz	VQQZXRCBQSOTIH-LVLBFHFTSA-N	-2	0	424.478	2.932	50	10		HFCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000002289626	536183859	/nfs/dbraw/zinc/18/38/59/536183859.db2.gz	UNLLRSTZQFSXME-RNEAKCBISA-N	-2	0	408.410	2.767	50	10		HFCARL
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)cc1	ZINC000002289624	536183971	/nfs/dbraw/zinc/18/39/71/536183971.db2.gz	UNLLRSTZQFSXME-HTMJNSLASA-N	-2	0	408.410	2.767	50	10		HFCARL
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1Cl	ZINC000001137759	536597980	/nfs/dbraw/zinc/59/79/80/536597980.db2.gz	FNYRCDCUUMTGQD-MDWZMJQESA-N	-2	0	400.774	2.713	50	10		HFCARL
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000013546345	558537837	/nfs/dbraw/zinc/53/78/37/558537837.db2.gz	QUUHNTDMOUNRRM-VGOFMYFVSA-N	-2	0	411.370	2.592	50	10		HFCARL
Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000002968520	132261077	/nfs/dbraw/zinc/26/10/77/132261077.db2.gz	BWWGBSWDKXRQKR-VVBXCHJUSA-N	-2	0	410.451	2.678	50	10		HFCARL
Cc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c1	ZINC000002968516	132260851	/nfs/dbraw/zinc/26/08/51/132260851.db2.gz	BWWGBSWDKXRQKR-HNEYUBDGSA-N	-2	0	410.451	2.678	50	10		HFCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S	ZINC000032707996	527632074	/nfs/dbraw/zinc/63/20/74/527632074.db2.gz	NMJSKRGHXFRERG-RAJVOEEQSA-N	-2	0	416.274	2.578	50	10		HFCARL
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000059248956	558932652	/nfs/dbraw/zinc/93/26/52/558932652.db2.gz	FHUOOGQPCVJXJG-IWQAVIMZSA-N	-2	0	414.414	2.509	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccccc2F)C1=O	ZINC000100223895	559132484	/nfs/dbraw/zinc/13/24/84/559132484.db2.gz	USWMDMFBKOEGGC-XFNCEPBJSA-N	-2	0	422.441	2.539	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000100149934	559164587	/nfs/dbraw/zinc/16/45/87/559164587.db2.gz	XNEPUFVOXNUGAD-KTZOAPACSA-N	-2	0	422.441	2.539	50	10		HFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S	ZINC000009423874	571257703	/nfs/dbraw/zinc/25/77/03/571257703.db2.gz	KZMILANJCUWEQX-GFAPJHNFSA-N	-2	0	402.453	2.754	50	10		HFCARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000009311412	132338522	/nfs/dbraw/zinc/33/85/22/132338522.db2.gz	SKSTVFWOEDQNMA-FHNWIRHTSA-N	-2	0	424.409	2.604	50	10		HFCARL
O=C([O-])c1cc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)ccc1Cl	ZINC000016266044	558781987	/nfs/dbraw/zinc/78/19/87/558781987.db2.gz	LRIBVXGKYACWHX-JYRVWZFOSA-N	-2	0	419.821	2.921	50	10		HFCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC(=O)[O-])c4ccccc34)C2=O)cc1	ZINC000002365447	132253279	/nfs/dbraw/zinc/25/32/79/132253279.db2.gz	GPLGIAWFASZQDT-LICLKQGHSA-N	-2	0	403.394	2.701	50	10		HFCARL
Cc1cc([O-])c(CC(Cc2c([O-])cc(C)oc2=O)c2ccc(O)c(O)c2)c(=O)o1	ZINC000016756422	558805784	/nfs/dbraw/zinc/80/57/84/558805784.db2.gz	IAZCVMXYQGAJHB-UHFFFAOYSA-N	-2	0	400.383	2.601	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000100902331	560726916	/nfs/dbraw/zinc/72/69/16/560726916.db2.gz	LXTAEFGQJVYMER-BOPFTXTBSA-N	-2	0	422.441	2.857	50	10		HFCARL
COc1ccc2c(/C=C3/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)c[nH]c2c1	ZINC000009576357	571269830	/nfs/dbraw/zinc/26/98/30/571269830.db2.gz	FRPXQEFBXYYSHJ-VYAXBHEWSA-N	-2	0	420.468	2.696	50	10		HFCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000012362896	132359046	/nfs/dbraw/zinc/35/90/46/132359046.db2.gz	ZTORDMOINPMZIK-RQNDZEIBSA-N	-2	0	424.478	2.987	50	10		HFCARL
O=C([O-])CC1(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)CCCCC1	ZINC000020622745	558394427	/nfs/dbraw/zinc/39/44/27/558394427.db2.gz	YMHXAFMKQKBPMC-PTNGSMBKSA-N	-2	0	419.865	2.822	50	10		HFCARL
O=C([O-])Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21	ZINC000004704517	558913732	/nfs/dbraw/zinc/91/37/32/558913732.db2.gz	GUKNQTILINBBLV-ZROIWOOFSA-N	-2	0	407.357	2.531	50	10		HFCARL
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1)C(=O)[O-]	ZINC000059248958	558932698	/nfs/dbraw/zinc/93/26/98/558932698.db2.gz	FHUOOGQPCVJXJG-ZTMOJVSCSA-N	-2	0	414.414	2.509	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000100192559	559131677	/nfs/dbraw/zinc/13/16/77/559131677.db2.gz	DMBNRBIUHRYQFY-GEBKJHSDSA-N	-2	0	416.437	2.852	50	10		HFCARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016225927	560859536	/nfs/dbraw/zinc/85/95/36/560859536.db2.gz	XRYAKJJVIVQYDU-NTEUORMPSA-N	-2	0	411.326	2.565	50	10		HFCARL
COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)c2c1	ZINC000008991925	571207411	/nfs/dbraw/zinc/20/74/11/571207411.db2.gz	IGRNJDQSJVGFTQ-LNYFCXHSSA-N	-2	0	420.468	2.696	50	10		HFCARL
O=C([O-])COc1ccccc1/C=C1/SC(=S)N([N-]C(=O)c2cccs2)C1=O	ZINC000009234056	571239801	/nfs/dbraw/zinc/23/98/01/571239801.db2.gz	HKZMVRSJAMGTDY-MDWZMJQESA-N	-2	0	420.493	2.758	50	10		HFCARL
CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002158929	132248964	/nfs/dbraw/zinc/24/89/64/132248964.db2.gz	MPJDNUYJFTXQPH-RNEAKCBISA-N	-2	0	424.478	2.932	50	10		HFCARL
COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1[O-]	ZINC000008914474	132334083	/nfs/dbraw/zinc/33/40/83/132334083.db2.gz	COXVNOIDJRMDKS-OVCLIPMQSA-N	-2	0	411.370	2.592	50	10		HFCARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000017057377	558813354	/nfs/dbraw/zinc/81/33/54/558813354.db2.gz	SKSTVFWOEDQNMA-NCUBORBFSA-N	-2	0	424.409	2.808	50	10		HFCARL
O=C([O-])c1ccccc1NC=C1C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O	ZINC000098086687	559064953	/nfs/dbraw/zinc/06/49/53/559064953.db2.gz	UVHHPPIVEFXOCJ-LCYFTJDESA-N	-2	0	401.831	2.782	50	10		HFCARL
O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])SC1=S	ZINC000002680111	560587398	/nfs/dbraw/zinc/58/73/98/560587398.db2.gz	QAEWMLDUAYWCSD-UVTDQMKNSA-N	-2	0	409.485	2.996	50	10		HFCARL
Cc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000002814085	132257946	/nfs/dbraw/zinc/25/79/46/132257946.db2.gz	MVWVGAHEKKTOHW-VVBXCHJUSA-N	-2	0	410.451	2.678	50	10		HFCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000012363135	132359036	/nfs/dbraw/zinc/35/90/36/132359036.db2.gz	MVWVGAHEKKTOHW-GPLLRDDGSA-N	-2	0	410.451	2.678	50	10		HFCARL
COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)c2c1	ZINC000008991926	571207406	/nfs/dbraw/zinc/20/74/06/571207406.db2.gz	IGRNJDQSJVGFTQ-KKMLBMJLSA-N	-2	0	420.468	2.696	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O	ZINC000004499331	132277680	/nfs/dbraw/zinc/27/76/80/132277680.db2.gz	DMBNRBIUHRYQFY-IZILLXMLSA-N	-2	0	416.437	2.852	50	10		HFCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000009169842	132336854	/nfs/dbraw/zinc/33/68/54/132336854.db2.gz	IQPDSBPMQLMZAL-YPOUMIDOSA-N	-2	0	402.410	2.543	50	10		HFCARL
C[C@@H](Oc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)C(=O)[O-]	ZINC000015821988	558754767	/nfs/dbraw/zinc/75/47/67/558754767.db2.gz	HSNFDVHQWJDGPX-OXFWXOROSA-N	-2	0	424.365	2.774	50	10		HFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S	ZINC000008991073	571206856	/nfs/dbraw/zinc/20/68/56/571206856.db2.gz	AAMPLAGIHYSXSU-FYQHACEVSA-N	-2	0	402.453	2.754	50	10		HFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S	ZINC000009051214	571216300	/nfs/dbraw/zinc/21/63/00/571216300.db2.gz	VVPFYNWJGVZJCM-ZBQKXELDSA-N	-2	0	405.453	2.525	50	10		HFCARL
Cc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002983079	557436120	/nfs/dbraw/zinc/43/61/20/557436120.db2.gz	FRQCAOQWRLVDTN-KWWJGWKXSA-N	-2	0	410.451	2.678	50	10		HFCARL
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2OCC(=O)[O-])SC1=S	ZINC000002680110	560885262	/nfs/dbraw/zinc/88/52/62/560885262.db2.gz	QAEWMLDUAYWCSD-GXDHUFHOSA-N	-2	0	409.485	2.996	50	10		HFCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000008753605	571112656	/nfs/dbraw/zinc/11/26/56/571112656.db2.gz	NMJSKRGHXFRERG-QFQXNISHSA-N	-2	0	416.274	2.578	50	10		HFCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S	ZINC000009051211	571216209	/nfs/dbraw/zinc/21/62/09/571216209.db2.gz	VVPFYNWJGVZJCM-ACLQVGRQSA-N	-2	0	405.453	2.525	50	10		HFCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl	ZINC000013546644	558537875	/nfs/dbraw/zinc/53/78/75/558537875.db2.gz	OLTCKKLHEMLIBQ-SDQBBNPISA-N	-2	0	401.762	2.929	50	10		HFCARL
O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000000715914	558774139	/nfs/dbraw/zinc/77/41/39/558774139.db2.gz	ZFMGFZJIHDSKHL-UHFFFAOYSA-N	-2	0	414.262	2.953	50	10		HFCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S	ZINC000008991074	571207067	/nfs/dbraw/zinc/20/70/67/571207067.db2.gz	AAMPLAGIHYSXSU-OZYJXZHSSA-N	-2	0	402.453	2.754	50	10		HFCARL
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)C2=O)c1	ZINC000002305061	132252157	/nfs/dbraw/zinc/25/21/57/132252157.db2.gz	SKSTVFWOEDQNMA-VBEHJTROSA-N	-2	0	424.409	2.604	50	10		HFCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C(=O)[O-])ccc3OCC)C2=O)cc1	ZINC000022229396	568477225	/nfs/dbraw/zinc/47/72/25/568477225.db2.gz	PYPJOIZIRSZQHS-SFQUDFHCSA-N	-2	0	424.409	2.849	50	10		HFCARL
COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000004180448	568949269	/nfs/dbraw/zinc/94/92/69/568949269.db2.gz	CKRDHLGUEYHUNO-VGOFMYFVSA-N	-2	0	416.817	2.582	50	10		HFCARL