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-])c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)o2)c1	ZINC000002782950	132257084	/nfs/dbraw/zinc/25/70/84/132257084.db2.gz	KRHLWXCOXRGGLK-LFIBNONCSA-N	-2	0	436.807	3.965	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000009265417	132311983	/nfs/dbraw/zinc/31/19/83/132311983.db2.gz	PCSUIKLJCSABCI-MOSHPQCFSA-N	-2	0	443.459	3.767	50	10		IHCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000009310860	132313281	/nfs/dbraw/zinc/31/32/81/132313281.db2.gz	VTUZNVAOKUUZJB-PDGQHHTCSA-N	-2	0	432.457	3.785	50	10		IHCARL
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1C	ZINC000009908231	132331568	/nfs/dbraw/zinc/33/15/68/132331568.db2.gz	FPAJYFYKKMAJIF-DEDYPNTBSA-N	-2	0	445.500	3.624	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038160480	569462235	/nfs/dbraw/zinc/46/22/35/569462235.db2.gz	OCXZCRDGFCNDFI-ZSOIEALJSA-N	-2	0	425.397	3.823	50	10		IHCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000002777086	132257144	/nfs/dbraw/zinc/25/71/44/132257144.db2.gz	UZJMLXHRSOGLHI-CPNJWEJPSA-N	-2	0	446.415	3.710	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000014011053	535659722	/nfs/dbraw/zinc/65/97/22/535659722.db2.gz	AYBWOJCCHKEQGJ-FMNVXAMXSA-N	-2	0	438.436	3.752	50	10		IHCARL
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000013073961	562984285	/nfs/dbraw/zinc/98/42/85/562984285.db2.gz	JZOJWSJRBKTEGZ-SLVCOGOPSA-N	-2	0	431.491	3.638	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000016225883	568873457	/nfs/dbraw/zinc/87/34/57/568873457.db2.gz	PWJGNIYRQWMJSG-NVNXTCNLSA-N	-2	0	444.827	3.709	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009493454	569540772	/nfs/dbraw/zinc/54/07/72/569540772.db2.gz	CEVJXXJRLXGMKP-DEDYPNTBSA-N	-2	0	443.459	3.767	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000035225635	520622353	/nfs/dbraw/zinc/62/23/53/520622353.db2.gz	KSUWOAIIHRDNQH-XDUBLRSXSA-N	-2	0	440.477	3.609	50	10		IHCARL
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3[C@H]3C=CC[C@@H]32)c1	ZINC000012428654	526393927	/nfs/dbraw/zinc/39/39/27/526393927.db2.gz	GQICLGHDBAZQOY-WFXMLNOXSA-N	-2	0	448.504	3.802	50	10		IHCARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)c1	ZINC000001926257	555725128	/nfs/dbraw/zinc/72/51/28/555725128.db2.gz	FPTMIZJURSOJKZ-UHFFFAOYSA-N	-2	0	449.506	3.540	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000001832079	562924782	/nfs/dbraw/zinc/92/47/82/562924782.db2.gz	VUCLFWSFUQONIV-YBFXNURJSA-N	-2	0	433.420	3.888	50	10		IHCARL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000002209164	132248821	/nfs/dbraw/zinc/24/88/21/132248821.db2.gz	DHDSBNKKVGECOV-UDWIEESQSA-N	-2	0	447.422	3.598	50	10		IHCARL
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)c1C	ZINC000009264467	132311685	/nfs/dbraw/zinc/31/16/85/132311685.db2.gz	GNQPCQHGYGUYFN-CPNJWEJPSA-N	-2	0	445.500	3.624	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009265357	132311918	/nfs/dbraw/zinc/31/19/18/132311918.db2.gz	CEVJXXJRLXGMKP-MOSHPQCFSA-N	-2	0	443.459	3.767	50	10		IHCARL
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000013073864	569309068	/nfs/dbraw/zinc/30/90/68/569309068.db2.gz	MEQJNPCRLRYMKG-FBKCMUNRSA-N	-2	0	431.491	3.774	50	10		IHCARL
CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1	ZINC000002057469	132247629	/nfs/dbraw/zinc/24/76/29/132247629.db2.gz	FCYLJPRAVNHJGG-XSFVSMFZSA-N	-2	0	445.500	3.569	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015822814	557467578	/nfs/dbraw/zinc/46/75/78/557467578.db2.gz	SGLIJVQQNWTHKU-YRNVUSSQSA-N	-2	0	431.788	3.859	50	10		IHCARL
CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000008818984	569477043	/nfs/dbraw/zinc/47/70/43/569477043.db2.gz	JZOJWSJRBKTEGZ-FSEGOYHTSA-N	-2	0	431.491	3.638	50	10		IHCARL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	ZINC000008884266	569483099	/nfs/dbraw/zinc/48/30/99/569483099.db2.gz	ZPLPKHBWBBBLTM-GULXKOIASA-N	-2	0	435.454	3.605	50	10		IHCARL
COC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)C2=O)cc1	ZINC000034234342	556807030	/nfs/dbraw/zinc/80/70/30/556807030.db2.gz	XCJLCDKUYGSXQI-SDQBBNPISA-N	-2	0	435.219	3.992	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038163790	569462274	/nfs/dbraw/zinc/46/22/74/569462274.db2.gz	WIPCFEVCPANGHO-ZSOIEALJSA-N	-2	0	425.397	3.823	50	10		IHCARL
CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000009311433	132313338	/nfs/dbraw/zinc/31/33/38/132313338.db2.gz	URPVXCYQRWUFRP-QPEQYQDCSA-N	-2	0	437.304	3.929	50	10		IHCARL
O=C([O-])c1cccc(-n2cccc2C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1	ZINC000013751538	132354392	/nfs/dbraw/zinc/35/43/92/132354392.db2.gz	CJBBYGLSVYQHCY-VBKFSLOCSA-N	-2	0	435.436	3.986	50	10		IHCARL
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000015799898	557464114	/nfs/dbraw/zinc/46/41/14/557464114.db2.gz	QTYWZYNKKDRRLE-KPKJPENVSA-N	-2	0	432.186	3.570	50	10		IHCARL
CCOc1ccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)cc1	ZINC000018010659	568894319	/nfs/dbraw/zinc/89/43/19/568894319.db2.gz	ATJHOEXCCSPXCB-UZNZLNSGSA-N	-2	0	448.504	3.639	50	10		IHCARL
Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(Br)c(C(=O)[O-])c3)n2)o1	ZINC000003328424	569446314	/nfs/dbraw/zinc/44/63/14/569446314.db2.gz	ZGTPZFUWDSWDJA-UHFFFAOYSA-N	-2	0	443.300	3.973	50	10		IHCARL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	ZINC000008884263	569483087	/nfs/dbraw/zinc/48/30/87/569483087.db2.gz	ZPLPKHBWBBBLTM-NCPSJORJSA-N	-2	0	435.454	3.605	50	10		IHCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000012411810	521037735	/nfs/dbraw/zinc/03/77/35/521037735.db2.gz	UZJMLXHRSOGLHI-UYRXBGFRSA-N	-2	0	446.415	3.710	50	10		IHCARL
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3[C@H]3C=CC[C@H]32)c1	ZINC000012428652	526394622	/nfs/dbraw/zinc/39/46/22/526394622.db2.gz	GQICLGHDBAZQOY-UEXGIBASSA-N	-2	0	448.504	3.802	50	10		IHCARL
CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(OCc2ccccc2)c1	ZINC000016361940	556602922	/nfs/dbraw/zinc/60/29/22/556602922.db2.gz	MJRIRXUNOLFJDQ-QBFSEMIESA-N	-2	0	436.468	3.979	50	10		IHCARL
O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000013616195	132351881	/nfs/dbraw/zinc/35/18/81/132351881.db2.gz	MFYTZUHJUPEELC-GZTJUZNOSA-N	-2	0	436.807	3.965	50	10		IHCARL
O=C([O-])c1cccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c1	ZINC000013800017	132354496	/nfs/dbraw/zinc/35/44/96/132354496.db2.gz	FCFRMHGBIBSIKX-YBEGLDIGSA-N	-2	0	446.371	3.880	50	10		IHCARL
CC(C)n1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21	ZINC000001101677	555628952	/nfs/dbraw/zinc/62/89/52/555628952.db2.gz	RYVBJSCCXDSGNR-WQRHYEAKSA-N	-2	0	433.489	3.752	50	10		IHCARL
O=c1oc2ccccc2c([O-])c1C(c1ccc(O)c(O)c1)c1c([O-])c2ccccc2oc1=O	ZINC000009779154	569567389	/nfs/dbraw/zinc/56/73/89/569567389.db2.gz	ORWZLFWKVFUBIL-UHFFFAOYSA-N	-2	0	444.395	3.902	50	10	biogenic	IHCARL
CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000009908220	132331626	/nfs/dbraw/zinc/33/16/26/132331626.db2.gz	DFBWJMOUHMTVAA-XSFVSMFZSA-N	-2	0	445.500	3.569	50	10		IHCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000013496596	556509131	/nfs/dbraw/zinc/50/91/31/556509131.db2.gz	FPDSCGVJPYCFHD-AQTBWJFISA-N	-2	0	439.522	3.662	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015837841	568928267	/nfs/dbraw/zinc/92/82/67/568928267.db2.gz	OCXZCRDGFCNDFI-RIYZIHGNSA-N	-2	0	425.397	3.823	50	10		IHCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1	ZINC000001215181	132240116	/nfs/dbraw/zinc/24/01/16/132240116.db2.gz	ZFUWDBVVCMAAJR-WUXMJOGZSA-N	-2	0	435.661	3.783	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000035225636	520623434	/nfs/dbraw/zinc/62/34/34/520623434.db2.gz	KSUWOAIIHRDNQH-KWWJGWKXSA-N	-2	0	440.477	3.609	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000014011047	535658447	/nfs/dbraw/zinc/65/84/47/535658447.db2.gz	ALKQRNANASUZHA-HNDQUVLASA-N	-2	0	438.436	3.752	50	10		IHCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000013075876	556455610	/nfs/dbraw/zinc/45/56/10/556455610.db2.gz	ALNOWECHUBAJES-FUEWVNAISA-N	-2	0	437.882	3.729	50	10		IHCARL
COc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C(=O)[N-]C2=S)cc1	ZINC000020290537	557005757	/nfs/dbraw/zinc/00/57/57/557005757.db2.gz	BLAPAQUJTDHBTK-UYRXBGFRSA-N	-2	0	447.472	3.856	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015836149	557467607	/nfs/dbraw/zinc/46/76/07/557467607.db2.gz	ONGGHPPYMVCSJM-AWNIVKPZSA-N	-2	0	431.788	3.859	50	10		IHCARL
Cc1cc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccccc4)c3=O)cc2)no1	ZINC000044827124	557537447	/nfs/dbraw/zinc/53/74/47/557537447.db2.gz	VVQOVNYOLQFMIU-CPNJWEJPSA-N	-2	0	437.481	3.502	50	10		IHCARL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)[N-]C2=S)cc1	ZINC000002364505	132253051	/nfs/dbraw/zinc/25/30/51/132253051.db2.gz	XDDKTWMJPWXZER-LDADJPATSA-N	-2	0	432.457	3.785	50	10		IHCARL
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=O)[N-]C2=S)cc1	ZINC000008749102	132292875	/nfs/dbraw/zinc/29/28/75/132292875.db2.gz	BENSUKRITBUIIY-PDGQHHTCSA-N	-2	0	432.457	3.785	50	10		IHCARL
COc1ccc(OC)c(/C=C2/SC(=S)N(c3cc(C(=O)[O-])cc(C(=O)[O-])c3)C2=O)c1	ZINC000001801622	555717001	/nfs/dbraw/zinc/71/70/01/555717001.db2.gz	WVURENJCOKEWAD-CXUHLZMHSA-N	-2	0	445.474	3.506	50	10		IHCARL
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)o2)c1	ZINC000002929102	569425975	/nfs/dbraw/zinc/42/59/75/569425975.db2.gz	LBVSJAICDNLLEY-XNTDXEJSSA-N	-2	0	426.787	3.899	50	10		IHCARL
O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)o2)c1	ZINC000002198705	132248691	/nfs/dbraw/zinc/24/86/91/132248691.db2.gz	BXDQZCAUWFWBRT-GZTJUZNOSA-N	-2	0	436.420	3.615	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000004047883	132268893	/nfs/dbraw/zinc/26/88/93/132268893.db2.gz	UVYBUVXTOVILPS-FYJGNVAPSA-N	-2	0	443.459	3.767	50	10		IHCARL
O=C([O-])COc1c(Cl)cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl	ZINC000013809860	132354761	/nfs/dbraw/zinc/35/47/61/132354761.db2.gz	YBAUIRPTPBNZTF-SDQBBNPISA-N	-2	0	435.219	3.964	50	10		IHCARL
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3[C@@H]3C=CC[C@H]32)c1	ZINC000014944234	556459542	/nfs/dbraw/zinc/45/95/42/556459542.db2.gz	GQICLGHDBAZQOY-OPYAIIAOSA-N	-2	0	448.504	3.802	50	10		IHCARL
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000013073866	569309090	/nfs/dbraw/zinc/30/90/90/569309090.db2.gz	MEQJNPCRLRYMKG-KWZJRMENSA-N	-2	0	431.491	3.774	50	10		IHCARL
O=C([O-])c1ccccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1	ZINC000015799272	557463969	/nfs/dbraw/zinc/46/39/69/557463969.db2.gz	XUXXLGUXTCGTMM-MHWRWJLKSA-N	-2	0	446.371	3.880	50	10		IHCARL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c([O-])c(Br)c3)C2=O)cc1	ZINC000009311445	132313466	/nfs/dbraw/zinc/31/34/66/132313466.db2.gz	ZFUWDBVVCMAAJR-SDQBBNPISA-N	-2	0	435.661	3.783	50	10		IHCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000013075878	556455666	/nfs/dbraw/zinc/45/56/66/556455666.db2.gz	ALNOWECHUBAJES-CWZJEYLYSA-N	-2	0	437.882	3.729	50	10		IHCARL
C[C@H](Oc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000015821808	556554033	/nfs/dbraw/zinc/55/40/33/556554033.db2.gz	MEVWASZAEAZSCU-UJFYRASASA-N	-2	0	430.869	3.864	50	10		IHCARL
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc([N+](=O)[O-])c1[O-]	ZINC000032099503	568780660	/nfs/dbraw/zinc/78/06/60/568780660.db2.gz	OBQYLWVCTQOYAP-MLPAPPSSSA-N	-2	0	445.815	3.857	50	10		IHCARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000028632270	569415840	/nfs/dbraw/zinc/41/58/40/569415840.db2.gz	JNYGQUFAAFOPBY-LICLKQGHSA-N	-2	0	429.263	3.655	50	10		IHCARL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/c3ccc(N)c(C(=O)[O-])c3)cc2)n1	ZINC000004528854	555999528	/nfs/dbraw/zinc/99/95/28/555999528.db2.gz	AOQOBVSQDBQULZ-WCWDXBQESA-N	-2	0	426.458	3.590	50	10		IHCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OCC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000015822822	557467568	/nfs/dbraw/zinc/46/75/68/557467568.db2.gz	YVILGMXFOTWHFY-OQLLNIDSSA-N	-2	0	441.396	3.605	50	10		IHCARL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	ZINC000015769584	568822120	/nfs/dbraw/zinc/82/21/20/568822120.db2.gz	UIDUKNQMKWGBON-GDNBJRDFSA-N	-2	0	426.787	3.899	50	10		IHCARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000009059122	132226596	/nfs/dbraw/zinc/22/65/96/132226596.db2.gz	ZUOUVUCTQPERDE-NVNXTCNLSA-N	-2	0	434.326	3.676	50	10		IHCARL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)ccc1Br	ZINC000015745779	556547919	/nfs/dbraw/zinc/54/79/19/556547919.db2.gz	IQHPJAWLSRBWKT-KPKJPENVSA-N	-2	0	446.213	3.878	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000003363462	557526318	/nfs/dbraw/zinc/52/63/18/557526318.db2.gz	PCSUIKLJCSABCI-DEDYPNTBSA-N	-2	0	443.459	3.767	50	10		IHCARL
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000013073959	562984233	/nfs/dbraw/zinc/98/42/33/562984233.db2.gz	JZOJWSJRBKTEGZ-CIKBWMHTSA-N	-2	0	431.491	3.638	50	10		IHCARL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	ZINC000009884788	569572780	/nfs/dbraw/zinc/57/27/80/569572780.db2.gz	QOEWSQPJTVMMJI-CWZJEYLYSA-N	-2	0	437.882	3.729	50	10		IHCARL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=S)N(c4cccc(F)c4)C3=O)o2)cc1	ZINC000002381952	132253502	/nfs/dbraw/zinc/25/35/02/132253502.db2.gz	FLDAFNMZWFCFFP-GZTJUZNOSA-N	-2	0	436.420	3.615	50	10		IHCARL
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)c(C)c1	ZINC000008451838	132282386	/nfs/dbraw/zinc/28/23/86/132282386.db2.gz	WHHMVTQEKOVZHO-CPNJWEJPSA-N	-2	0	445.500	3.624	50	10		IHCARL
C[C@@H](Oc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1)C(=O)[O-]	ZINC000015821805	556553924	/nfs/dbraw/zinc/55/39/24/556553924.db2.gz	MEVWASZAEAZSCU-LKBVRNOZSA-N	-2	0	430.869	3.864	50	10		IHCARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000100497939	557262298	/nfs/dbraw/zinc/26/22/98/557262298.db2.gz	FPDSCGVJPYCFHD-QGOAFFKASA-N	-2	0	439.522	3.662	50	10		IHCARL
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)c1	ZINC000009264461	132311723	/nfs/dbraw/zinc/31/17/23/132311723.db2.gz	MCCBBOVYEXCBGC-CPNJWEJPSA-N	-2	0	445.500	3.624	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000009265355	132311940	/nfs/dbraw/zinc/31/19/40/132311940.db2.gz	PVHMKDYRXWZIPZ-UYRXBGFRSA-N	-2	0	443.459	3.767	50	10		IHCARL
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)c1	ZINC000014011074	132355832	/nfs/dbraw/zinc/35/58/32/132355832.db2.gz	RJSLKGLXRZIAMM-WUXMJOGZSA-N	-2	0	446.213	3.878	50	10		IHCARL
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000015658588	556540830	/nfs/dbraw/zinc/54/08/30/556540830.db2.gz	JZZBJTLBEKDVTL-YBEGLDIGSA-N	-2	0	425.784	3.675	50	10		IHCARL
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000103020369	557416347	/nfs/dbraw/zinc/41/63/47/557416347.db2.gz	GQICLGHDBAZQOY-LQWHRVPQSA-N	-2	0	448.504	3.802	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000009493457	569540775	/nfs/dbraw/zinc/54/07/75/569540775.db2.gz	PVHMKDYRXWZIPZ-CPNJWEJPSA-N	-2	0	443.459	3.767	50	10		IHCARL
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(OCC(=O)[O-])cc1	ZINC000085878375	568838792	/nfs/dbraw/zinc/83/87/92/568838792.db2.gz	RSHOAGZPTUZKOB-UHFFFAOYSA-N	-2	0	449.419	3.747	50	10	biogenic	IHCARL
CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000008818985	569477015	/nfs/dbraw/zinc/47/70/15/569477015.db2.gz	JZOJWSJRBKTEGZ-BRYYZUPOSA-N	-2	0	431.491	3.638	50	10		IHCARL
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000013898336	132355417	/nfs/dbraw/zinc/35/54/17/132355417.db2.gz	IENVHHSEMAHKJP-WUXMJOGZSA-N	-2	0	432.186	3.570	50	10		IHCARL
O=C([O-])c1cc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)o2)ccc1Cl	ZINC000002976349	556153598	/nfs/dbraw/zinc/15/35/98/556153598.db2.gz	PDOKWUQBHPRJOB-OQLLNIDSSA-N	-2	0	440.795	3.553	50	10		IHCARL
Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000101122966	557261199	/nfs/dbraw/zinc/26/11/99/557261199.db2.gz	HLIIFWLUUZOPLN-MHWRWJLKSA-N	-2	0	447.232	3.708	50	10		IHCARL
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)ccc1Br	ZINC000015822421	568839870	/nfs/dbraw/zinc/83/98/70/568839870.db2.gz	JFSLCULTHOGFDN-GHXNOFRVSA-N	-2	0	435.661	3.783	50	10		IHCARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000059475168	569461500	/nfs/dbraw/zinc/46/15/00/569461500.db2.gz	JNYGQUFAAFOPBY-YVLHZVERSA-N	-2	0	429.263	3.655	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038170617	569462249	/nfs/dbraw/zinc/46/22/49/569462249.db2.gz	SGLIJVQQNWTHKU-XFFZJAGNSA-N	-2	0	431.788	3.859	50	10		IHCARL
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000009805755	569568831	/nfs/dbraw/zinc/56/88/31/569568831.db2.gz	IYDHZHGKPIUUAG-DEDYPNTBSA-N	-2	0	435.480	3.587	50	10		IHCARL
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000013148152	132345781	/nfs/dbraw/zinc/34/57/81/132345781.db2.gz	UVYBUVXTOVILPS-BKUYFWCQSA-N	-2	0	443.459	3.767	50	10		IHCARL
CCN(CC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(OCc2ccccc2)c1	ZINC000009234797	569514003	/nfs/dbraw/zinc/51/40/03/569514003.db2.gz	MJRIRXUNOLFJDQ-ACCUITESSA-N	-2	0	436.468	3.979	50	10		IHCARL
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000010232905	569579362	/nfs/dbraw/zinc/57/93/62/569579362.db2.gz	MEQJNPCRLRYMKG-KNGSKEOJSA-N	-2	0	431.491	3.774	50	10		IHCARL
Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2cccc(C(=O)[O-])c2)C1=O	ZINC000009845922	132329828	/nfs/dbraw/zinc/32/98/28/132329828.db2.gz	BUHCNVLBTNDZSS-SFQUDFHCSA-N	-2	0	449.850	3.804	50	10		IHCARL
CC(=O)c1c([O-])c(/N=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)oc1=O	ZINC000005345126	556046689	/nfs/dbraw/zinc/04/66/89/556046689.db2.gz	LOYVIUKLDMFZED-FMQUCBEESA-N	-2	0	434.455	3.529	50	10		IHCARL
O=C([O-])c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)ccc1Cl	ZINC000008853421	569479551	/nfs/dbraw/zinc/47/95/51/569479551.db2.gz	CQLKMZCZYWHROC-YBEGLDIGSA-N	-2	0	426.787	3.899	50	10		IHCARL
CN(C)c1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000013838800	132354867	/nfs/dbraw/zinc/35/48/67/132354867.db2.gz	RVOBWZJBAZGBTD-XSFVSMFZSA-N	-2	0	444.447	3.748	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000014011055	535658841	/nfs/dbraw/zinc/65/88/41/535658841.db2.gz	AYBWOJCCHKEQGJ-RQNDZEIBSA-N	-2	0	438.436	3.752	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015822947	557467509	/nfs/dbraw/zinc/46/75/09/557467509.db2.gz	WIPCFEVCPANGHO-RIYZIHGNSA-N	-2	0	425.397	3.823	50	10		IHCARL
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CCC(=O)[O-])C(=O)[O-])C3=O)o2)cc1	ZINC000010232906	569579342	/nfs/dbraw/zinc/57/93/42/569579342.db2.gz	MEQJNPCRLRYMKG-DWKHYPNZSA-N	-2	0	431.491	3.774	50	10		IHCARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1	ZINC000009311422	132313342	/nfs/dbraw/zinc/31/33/42/132313342.db2.gz	CGWWFQVAFXKFCT-UNOMPAQXSA-N	-2	0	430.416	3.928	50	10		IHCARL
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C(=O)[N-]C2=S)cc1C	ZINC000009762862	132328411	/nfs/dbraw/zinc/32/84/11/132328411.db2.gz	QYNVLHGCLMSACP-DEDYPNTBSA-N	-2	0	445.500	3.624	50	10		IHCARL
O=C([O-])COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C1=O	ZINC000013535788	132349347	/nfs/dbraw/zinc/34/93/47/132349347.db2.gz	PCJZHNIDXRTZDC-ZSOIEALJSA-N	-2	0	434.326	3.676	50	10		IHCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1	ZINC000018272221	556688787	/nfs/dbraw/zinc/68/87/87/556688787.db2.gz	BJNJUMDPLDXLBZ-CPNJWEJPSA-N	-2	0	446.415	3.914	50	10		IHCARL
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OCC(=O)[O-])C2=O)cc1	ZINC000016226128	521037394	/nfs/dbraw/zinc/03/73/94/521037394.db2.gz	HGLXLSFFXIULPU-MHWRWJLKSA-N	-2	0	444.827	3.709	50	10		IHCARL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(SCC(=O)[O-])c(O)c2ccccc12	ZINC000008859957	556228148	/nfs/dbraw/zinc/22/81/48/556228148.db2.gz	ABFJZAIMAMBGGU-UHFFFAOYSA-N	-3	0	448.478	3.740	50	10		IHCARL
COc1ccc(OC)c(/C=C2\SC(=S)N(c3cc(C(=O)[O-])cc(C(=O)[O-])c3)C2=O)c1	ZINC000012603375	524801225	/nfs/dbraw/zinc/80/12/25/524801225.db2.gz	WVURENJCOKEWAD-SXGWCWSVSA-N	-2	0	445.474	3.506	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000014011050	535658379	/nfs/dbraw/zinc/65/83/79/535658379.db2.gz	ALKQRNANASUZHA-VQCBNXJZSA-N	-2	0	438.436	3.752	50	10		IHCARL
CCOc1cccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)c1	ZINC000015723238	556983856	/nfs/dbraw/zinc/98/38/56/556983856.db2.gz	GKPRHIDGZHMMLN-UIMCMNAESA-N	-2	0	448.504	3.639	50	10		IHCARL
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000038170611	569462293	/nfs/dbraw/zinc/46/22/93/569462293.db2.gz	ONGGHPPYMVCSJM-MLPAPPSSSA-N	-2	0	431.788	3.859	50	10		IHCARL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)c1	ZINC000002119674	132248113	/nfs/dbraw/zinc/24/81/13/132248113.db2.gz	CGWWFQVAFXKFCT-XDHOZWIPSA-N	-2	0	430.416	3.928	50	10		IHCARL
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000002121632	132248265	/nfs/dbraw/zinc/24/82/65/132248265.db2.gz	VTUZNVAOKUUZJB-LDADJPATSA-N	-2	0	432.457	3.785	50	10		IHCARL
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)o2)c1	ZINC000012428658	526387508	/nfs/dbraw/zinc/38/75/08/526387508.db2.gz	LBVSJAICDNLLEY-GDNBJRDFSA-N	-2	0	426.787	3.899	50	10		IHCARL
CCOc1cccc(N2C(=O)C(=Cc3c(C)[n-]n(-c4ccccc4)c3=O)C(=O)[N-]C2=S)c1	ZINC000016693221	568938757	/nfs/dbraw/zinc/93/87/57/568938757.db2.gz	XZLOXJUCWVOVEJ-UYRXBGFRSA-N	-2	0	448.504	3.957	50	10		IHCARL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	ZINC000009884786	569572768	/nfs/dbraw/zinc/57/27/68/569572768.db2.gz	QOEWSQPJTVMMJI-FUEWVNAISA-N	-2	0	437.882	3.729	50	10		IHCARL