smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cccn1-c1ccccc1	ZINC000001173191	132238221	/nfs/dbraw/zinc/23/82/21/132238221.db2.gz	RKORBQYROVHBEA-VBKFSLOCSA-N	-1	0	426.259	5.291	10	0		IKAERM
COc1ccc(-c2cc(OCC(=O)[O-])nc(N(c3ccccc3)c3ccccc3)n2)cc1	ZINC000073698912	523113005	/nfs/dbraw/zinc/11/30/05/523113005.db2.gz	LQOVSJLJDOQJHG-UHFFFAOYSA-N	-1	0	427.460	5.085	10	0		IKAERM
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Oc4ccccc4)cc3)n2)c1	ZINC000073700062	525709722	/nfs/dbraw/zinc/70/97/22/525709722.db2.gz	JOOGDCCBFZYCMM-UHFFFAOYSA-N	-1	0	443.459	5.152	10	0		IKAERM
Cc1ccc(/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1Nc1nccc(-c2cccnc2)n1	ZINC000091351740	525939054	/nfs/dbraw/zinc/93/90/54/525939054.db2.gz	OEJGKSZHBTURNZ-FYJGNVAPSA-N	-1	0	442.906	5.869	10	0		IKAERM
O=C([O-])[C@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000073679611	526320209	/nfs/dbraw/zinc/32/02/09/526320209.db2.gz	OWSOSGFMHVSDSA-LJQANCHMSA-N	-1	0	427.426	5.273	10	0		IKAERM
O=C([O-])[C@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1	ZINC000073680620	526323382	/nfs/dbraw/zinc/32/33/82/526323382.db2.gz	JPDXTPDVGBQNLR-KRWDZBQOSA-N	-1	0	427.426	5.130	10	0		IKAERM
O=C([O-])c1ccc(Nc2cc(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073683341	526379998	/nfs/dbraw/zinc/37/99/98/526379998.db2.gz	GSBQVXDKLYQHHH-UHFFFAOYSA-N	-1	0	436.393	5.666	10	0		IKAERM
O=C([O-])c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073682767	526380818	/nfs/dbraw/zinc/38/08/18/526380818.db2.gz	IDZPAPXIYSKAKY-UHFFFAOYSA-N	-1	0	436.389	6.320	10	0		IKAERM
O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)OCC1c3ccccc3-c3ccccc31)CCC2	ZINC000723271771	556808104	/nfs/dbraw/zinc/80/81/04/556808104.db2.gz	OBDHLBINWJWYKK-LJQANCHMSA-N	-1	0	427.500	5.343	10	0		IKAERM
Cc1ccc([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)[O-])cc1	ZINC000725240754	557129955	/nfs/dbraw/zinc/12/99/55/557129955.db2.gz	ACCSMSWVBGRPLL-CLOONOSVSA-N	-1	0	427.500	5.187	10	0		IKAERM
Cc1ccc([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)[O-])cc1	ZINC000725240755	557130096	/nfs/dbraw/zinc/13/00/96/557130096.db2.gz	ACCSMSWVBGRPLL-DFBJGRDBSA-N	-1	0	427.500	5.187	10	0		IKAERM
COc1cccc([C@@H](C)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)C(=O)[O-])c1	ZINC000725240759	557130419	/nfs/dbraw/zinc/13/04/19/557130419.db2.gz	AQMCCOHFQIJSHL-QZTJIDSGSA-N	-1	0	445.515	5.480	10	0		IKAERM
O=C([O-])[C@@H]1CSC[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240840	557130777	/nfs/dbraw/zinc/13/07/77/557130777.db2.gz	IDIPLPCEVUAOBN-ZEQRLZLVSA-N	-1	0	445.540	5.179	10	0		IKAERM
O=C([O-])[C@H]1CSC[C@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240838	557130807	/nfs/dbraw/zinc/13/08/07/557130807.db2.gz	IDIPLPCEVUAOBN-DNQXCXABSA-N	-1	0	445.540	5.179	10	0		IKAERM
O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2cc(Cl)ccc21	ZINC000725240817	557131027	/nfs/dbraw/zinc/13/10/27/557131027.db2.gz	GLEXAOWFGNDPOG-QFIPXVFZSA-N	-1	0	433.891	5.273	10	0		IKAERM
O=C([O-])C1(N(Cc2ccccc2)C(=O)OCC2c3ccccc3-c3ccccc32)CCC1	ZINC000725240814	557131075	/nfs/dbraw/zinc/13/10/75/557131075.db2.gz	GESHOZUBKIVSPD-UHFFFAOYSA-N	-1	0	427.500	5.445	10	0		IKAERM
Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@](C)(C(=O)[O-])C2)cc1	ZINC000725240980	557132731	/nfs/dbraw/zinc/13/27/31/557132731.db2.gz	PFOGHFCCQNQWBK-MMTVBGGISA-N	-1	0	441.527	5.577	10	0		IKAERM
Cc1ccc([C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@](C)(C(=O)[O-])C2)cc1	ZINC000725240983	557133102	/nfs/dbraw/zinc/13/31/02/557133102.db2.gz	PFOGHFCCQNQWBK-WTYVLRPYSA-N	-1	0	441.527	5.577	10	0		IKAERM
O=C([O-])[C@H]1[C@H](c2cccc(F)c2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241129	557133632	/nfs/dbraw/zinc/13/36/32/557133632.db2.gz	YNRCVBQJTNFYHR-MHECFPHRSA-N	-1	0	431.463	5.017	10	0		IKAERM
CC1=CCC[C@H](C)[C@H]1C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000725246678	557147695	/nfs/dbraw/zinc/14/76/95/557147695.db2.gz	SJNMLXBDYOMFQO-JXQFQVJHSA-N	-1	0	433.548	5.608	10	0		IKAERM
O=C([O-])CCCN(CCOc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000309581225	557223935	/nfs/dbraw/zinc/22/39/35/557223935.db2.gz	XZOIFJLDMZOILS-UHFFFAOYSA-N	-1	0	445.515	5.181	10	0		IKAERM
CCCc1c2onc(CC)c2ccc1OCCCSc1ccc(CC(=O)[O-])cc1Cl	ZINC000012358260	562981651	/nfs/dbraw/zinc/98/16/51/562981651.db2.gz	LBEYMGDIPDOUKK-UHFFFAOYSA-N	-1	0	447.984	6.184	10	0	in-vivo	IKAERM
CCc1oc2ccccc2c1[C@@H](O)c1cc(Br)c([O-])c(Br)c1	ZINC000013586697	562995462	/nfs/dbraw/zinc/99/54/62/562995462.db2.gz	XJYGBWCERLPZTG-INIZCTEOSA-N	-1	0	426.104	5.308	10	0		IKAERM
O=C([O-])C[C@H]1CCc2c3cc(F)cc(Br)c3n(Cc3ccc(Cl)cc3)c21	ZINC000013972887	563013989	/nfs/dbraw/zinc/01/39/89/563013989.db2.gz	XSQAICBCYIFUQS-GFCCVEGCSA-N	-1	0	436.708	5.749	10	0		IKAERM
O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1c1ccc(Cl)cc1	ZINC000399743628	568626773	/nfs/dbraw/zinc/62/67/73/568626773.db2.gz	ZIPYEAFCQQVOGF-XZOQPEGZSA-N	-1	0	447.918	5.389	10	0		IKAERM
CC1(C)CCC[C@]2(C1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379269	568885036	/nfs/dbraw/zinc/88/50/36/568885036.db2.gz	AVMNIUFNKRHSKM-ATIYNZHBSA-N	-1	0	435.520	5.017	10	0		IKAERM
CCCC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379611	568885403	/nfs/dbraw/zinc/88/54/03/568885403.db2.gz	GSSOXHXICDZOTG-ZADXLRFVSA-N	-1	0	449.547	5.408	10	0		IKAERM
CCCCC[C@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675078702	569162141	/nfs/dbraw/zinc/16/21/41/569162141.db2.gz	IZUPOCNCVGOIHE-UZUQRXQVSA-N	-1	0	439.577	5.734	10	0		IKAERM
O=C([O-])[C@@H](c1c(F)cccc1F)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1	ZINC000226800920	569178172	/nfs/dbraw/zinc/17/81/72/569178172.db2.gz	BFPLVBILVOWGQY-XMMPIXPASA-N	-1	0	449.453	5.504	10	0		IKAERM
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000263616241	569282263	/nfs/dbraw/zinc/28/22/63/569282263.db2.gz	HSZZZVBVEHMHKY-DPKALAFNSA-N	-1	0	430.673	8.091	10	0		IKAERM
CSc1ccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000004265480	569587483	/nfs/dbraw/zinc/58/74/83/569587483.db2.gz	ONIFONDELRWRDX-QHCPKHFHSA-N	-1	0	433.529	5.463	10	0		IKAERM
Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1	ZINC000073700075	525737539	/nfs/dbraw/zinc/73/75/39/525737539.db2.gz	XQGMEGVPIILBIO-UHFFFAOYSA-N	-1	0	427.460	5.451	10	0		IKAERM
O=C([O-])c1ccc(Oc2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073682773	526382027	/nfs/dbraw/zinc/38/20/27/526382027.db2.gz	DVOXBUDSVJPSSO-UHFFFAOYSA-N	-1	0	437.377	5.715	10	0		IKAERM
O=C([O-])c1ccc(Oc2cc(-c3ccccn3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073682779	526382241	/nfs/dbraw/zinc/38/22/41/526382241.db2.gz	NHBQMKGOBAYISK-UHFFFAOYSA-N	-1	0	437.377	5.715	10	0		IKAERM
O=C([O-])c1cccc(OCCCCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000015042579	526393439	/nfs/dbraw/zinc/39/34/39/526393439.db2.gz	PMZNNFIWEGKMRO-UHFFFAOYSA-N	-1	0	445.515	5.473	10	0		IKAERM
CCCC1(CCC)CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1	ZINC000722632784	556746940	/nfs/dbraw/zinc/74/69/40/556746940.db2.gz	USCBITQMAQRHRS-UHFFFAOYSA-N	-1	0	435.564	5.977	10	0		IKAERM
CC(C)(C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])c1ccccc1	ZINC000725245782	557146001	/nfs/dbraw/zinc/14/60/01/557146001.db2.gz	GTQQBKMDQPIMAJ-IBGZPJMESA-N	-1	0	443.543	5.594	10	0		IKAERM
CC1=C[C@H](C)C[C@H](C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245705	557146092	/nfs/dbraw/zinc/14/60/92/557146092.db2.gz	FFIXOISZQOSTIF-IHPCNDPISA-N	-1	0	433.548	5.608	10	0		IKAERM
C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)[O-])c1)C(=O)c1cnc2ccccc2c1	ZINC000149966028	557169515	/nfs/dbraw/zinc/16/95/15/557169515.db2.gz	BXNMZRPTQFVRFA-QGZVFWFLSA-N	-1	0	428.463	5.476	10	0		IKAERM
COc1ccc(-c2c([O-])c3c(OC)c4c(c(CC=C(C)C)c3oc2=O)OC(C)(C)C=C4)cc1	ZINC000001531864	560181493	/nfs/dbraw/zinc/18/14/93/560181493.db2.gz	CCYKXDPVYWRNMH-UHFFFAOYSA-N	-1	0	448.515	5.876	10	0	in-vitro	IKAERM
Cc1cccc(-c2ccc3c(c2)c(C(=O)C(=O)[O-])cn3Cc2ccc(C(C)(C)C)cc2)c1	ZINC000013580622	562994472	/nfs/dbraw/zinc/99/44/72/562994472.db2.gz	HSXLMAFNWCSZGP-UHFFFAOYSA-N	-1	0	425.528	6.230	10	0	investigational	IKAERM
CCCS[C@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)[O-]	ZINC000049739539	563139247	/nfs/dbraw/zinc/13/92/47/563139247.db2.gz	JWYZUNXLVDVFIH-HSZRJFAPSA-N	-1	0	435.545	6.126	10	0		IKAERM
CC(C)(C)c1cc(NC(=O)c2cc3ccccc3s2)n(-c2ccc(OCC(=O)[O-])cc2)n1	ZINC000063540275	563152435	/nfs/dbraw/zinc/15/24/35/563152435.db2.gz	LJSRHOUVQCJACV-UHFFFAOYSA-N	-1	0	449.532	5.100	10	0		IKAERM
COc1ccc([C@@H]2CC[C@H](C(=O)[O-])N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000399704213	568626768	/nfs/dbraw/zinc/62/67/68/568626768.db2.gz	JUAOOVPMZVUPJH-LOSJGSFVSA-N	-1	0	443.499	5.234	10	0		IKAERM
CC(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379580	568885162	/nfs/dbraw/zinc/88/51/62/568885162.db2.gz	GAHZSCIGAUPPIK-YQXBWWBASA-N	-1	0	449.547	5.263	10	0		IKAERM
C[C@H]1C[C@]2(CC(C)(C)C1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380901	568885855	/nfs/dbraw/zinc/88/58/55/568885855.db2.gz	ROIYMFRWCGZABY-OVEGOBCQSA-N	-1	0	449.547	5.263	10	0		IKAERM
CCC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380791	568885895	/nfs/dbraw/zinc/88/58/95/568885895.db2.gz	PULNQIOVFAGJBF-UQBHCSHASA-N	-1	0	435.520	5.017	10	0		IKAERM
CC1(C)CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380792	568885912	/nfs/dbraw/zinc/88/59/12/568885912.db2.gz	PUUPCEULFDCGIN-JOCHJYFZSA-N	-1	0	435.520	5.017	10	0		IKAERM
CC[C@H](C)[C@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079837	569162407	/nfs/dbraw/zinc/16/24/07/569162407.db2.gz	YHZYFCJZLZWCPE-PBPSECFOSA-N	-1	0	425.550	5.200	10	0		IKAERM
COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1Cl	ZINC000226318393	569177973	/nfs/dbraw/zinc/17/79/73/569177973.db2.gz	WFOLIWCBVPBBHU-QFIPXVFZSA-N	-1	0	437.879	5.013	10	0		IKAERM
O=C([O-])[C@@H](Cc1ccccc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1	ZINC000226800057	569178145	/nfs/dbraw/zinc/17/81/45/569178145.db2.gz	WKSSMZSICXTKET-RUZDIDTESA-N	-1	0	427.500	5.096	10	0		IKAERM
CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1ccc(F)c(F)c1	ZINC000226788648	569178179	/nfs/dbraw/zinc/17/81/79/569178179.db2.gz	RNFXNQGIEPXGBI-HSZRJFAPSA-N	-1	0	437.442	5.362	10	0		IKAERM
COc1ccc([C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1	ZINC000226807395	569178191	/nfs/dbraw/zinc/17/81/91/569178191.db2.gz	CNBHIZODLZOSQE-VWLOTQADSA-N	-1	0	445.515	5.480	10	0		IKAERM
CCOc1ccccc1[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000226852101	569178221	/nfs/dbraw/zinc/17/82/21/569178221.db2.gz	LVJUCWZWVJVMAD-HSZRJFAPSA-N	-1	0	431.488	5.140	10	0		IKAERM
O=C([O-])c1ccc(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000685939176	569586881	/nfs/dbraw/zinc/58/68/81/569586881.db2.gz	GTEOOIWEXAHOQC-UHFFFAOYSA-N	-1	0	427.500	5.513	10	0		IKAERM
CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3	ZINC000030729880	574413998	/nfs/dbraw/zinc/41/39/98/574413998.db2.gz	MYWAIWDQTCHPTH-CVKNZFLTSA-N	-1	0	442.684	7.154	10	0	endogenous,in-man	IKAERM
CC(C)=CCC[C@@H](C)[C@@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3	ZINC000030729890	574414005	/nfs/dbraw/zinc/41/40/05/574414005.db2.gz	MYWAIWDQTCHPTH-MNPUSYCZSA-N	-1	0	442.684	7.154	10	0	endogenous,in-man	IKAERM
CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3	ZINC000030729894	574414012	/nfs/dbraw/zinc/41/40/12/574414012.db2.gz	MYWAIWDQTCHPTH-LJAIZBFVSA-N	-1	0	442.684	7.154	10	0	endogenous,in-man	IKAERM
C/C=C(\C)c1c(Cl)c(OC)c(C)c2c1Oc1c(Cl)c([O-])c(Cl)c(C)c1C(=O)O2	ZINC000014613586	518483713	/nfs/dbraw/zinc/48/37/13/518483713.db2.gz	FSINAZMQWFDQSD-VOTSOKGWSA-N	-1	0	443.710	6.726	10	0		IKAERM
COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(-c4ccccc4)cc3)n2)cc1	ZINC000073698114	523113137	/nfs/dbraw/zinc/11/31/37/523113137.db2.gz	MAPADVMNHGYRIY-UHFFFAOYSA-N	-1	0	427.460	5.026	10	0		IKAERM
O=C([O-])[C@@H]1CCCN(c2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)C1	ZINC000073680623	526272894	/nfs/dbraw/zinc/27/28/94/526272894.db2.gz	JPDXTPDVGBQNLR-QGZVFWFLSA-N	-1	0	427.426	5.130	10	0		IKAERM
O=C(Nc1cc(C(F)(F)F)ccc1OCCc1cccs1)c1cc(Cl)ccc1[O-]	ZINC000201360901	527104719	/nfs/dbraw/zinc/10/47/19/527104719.db2.gz	FDIBPCALCFLHHR-UHFFFAOYSA-N	-1	0	441.858	6.000	10	0		IKAERM
COc1ccc(Br)cc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1	ZINC000009408810	556287761	/nfs/dbraw/zinc/28/77/61/556287761.db2.gz	QGXWXFJKVQKCMT-JNJKJXIUSA-N	-1	0	428.326	5.452	10	0		IKAERM
O=C([O-])c1ccc(Br)cc1NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000071084637	556652610	/nfs/dbraw/zinc/65/26/10/556652610.db2.gz	FHHWVWYKRNBYMN-UHFFFAOYSA-N	-1	0	438.277	5.508	10	0		IKAERM
Cc1ccc([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)[O-])cc1	ZINC000725240757	557130230	/nfs/dbraw/zinc/13/02/30/557130230.db2.gz	ACCSMSWVBGRPLL-UQBPGWFLSA-N	-1	0	427.500	5.187	10	0		IKAERM
Cc1nc(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)sc1C(=O)[O-]	ZINC000725240956	557131393	/nfs/dbraw/zinc/13/13/93/557131393.db2.gz	NYNCMAUNGBTZTH-UHFFFAOYSA-N	-1	0	448.544	5.278	10	0		IKAERM
O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1C2CC3CC(C2)CC1C3	ZINC000725240905	557132456	/nfs/dbraw/zinc/13/24/56/557132456.db2.gz	KZNCKUDCKIVDBA-WHORSJEASA-N	-1	0	445.559	5.298	10	0		IKAERM
O=C([O-])[C@]1(Cc2cccs2)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240898	557132466	/nfs/dbraw/zinc/13/24/66/557132466.db2.gz	KPYQMYMUAHPSDP-RUZDIDTESA-N	-1	0	433.529	5.159	10	0		IKAERM
O=C([O-])[C@@]1(Cc2cccs2)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240899	557132497	/nfs/dbraw/zinc/13/24/97/557132497.db2.gz	KPYQMYMUAHPSDP-VWLOTQADSA-N	-1	0	433.529	5.159	10	0		IKAERM
O=C([O-])CN(Cc1ccc(Cl)s1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241010	557133042	/nfs/dbraw/zinc/13/30/42/557133042.db2.gz	RQPRWZXFKOKJBR-UHFFFAOYSA-N	-1	0	427.909	5.237	10	0		IKAERM
O=C([O-])[C@@H]1[C@@H](c2cccc(F)c2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241128	557133619	/nfs/dbraw/zinc/13/36/19/557133619.db2.gz	YNRCVBQJTNFYHR-KOSHJBKYSA-N	-1	0	431.463	5.017	10	0		IKAERM
O=C([O-])[C@H]1[C@@H](c2cccc(F)c2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241127	557133726	/nfs/dbraw/zinc/13/37/26/557133726.db2.gz	YNRCVBQJTNFYHR-HOYKHHGWSA-N	-1	0	431.463	5.017	10	0		IKAERM
CCC(C)(C)C1CCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC1	ZINC000725243875	557141919	/nfs/dbraw/zinc/14/19/19/557141919.db2.gz	ATRIHRCCZPPVQP-UHFFFAOYSA-N	-1	0	449.591	6.223	10	0		IKAERM
CC1(C)CCC[C@@H](C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245324	557144651	/nfs/dbraw/zinc/14/46/51/557144651.db2.gz	BYHVUOLDCHFTIN-OALUTQOASA-N	-1	0	435.564	5.832	10	0		IKAERM
CC1=C[C@H](C)C[C@@H](C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245697	557145923	/nfs/dbraw/zinc/14/59/23/557145923.db2.gz	FFIXOISZQOSTIF-DFQSSKMNSA-N	-1	0	433.548	5.608	10	0		IKAERM
CC1=CCC[C@H](C)[C@@H]1C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000725246679	557147768	/nfs/dbraw/zinc/14/77/68/557147768.db2.gz	SJNMLXBDYOMFQO-XLNZFTOWSA-N	-1	0	433.548	5.608	10	0		IKAERM
O=C([O-])CN(Cc1c(F)cccc1Cl)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000309595584	557224366	/nfs/dbraw/zinc/22/43/66/557224366.db2.gz	XSEZZTQBYAKSPC-UHFFFAOYSA-N	-1	0	439.870	5.315	10	0		IKAERM
O=c1cc(-c2cc(F)c(Cl)nc2Cl)nc2c(-c3ccccc3)c(C(F)(F)F)[n-]n21	ZINC000101404854	557292410	/nfs/dbraw/zinc/29/24/10/557292410.db2.gz	JEXACLGXUUYXDX-UHFFFAOYSA-N	-1	0	443.187	5.216	10	0	in-vitro	IKAERM
CCCSc1nc(Oc2ccc(CC(=O)[O-])cc2)ccc1C(=O)NC1CCCCC1	ZINC000095574753	563185420	/nfs/dbraw/zinc/18/54/20/563185420.db2.gz	QMJHGNGJQQDHLD-UHFFFAOYSA-N	-1	0	428.554	5.066	10	0		IKAERM
O=C([O-])CCCN(Cc1ccc(F)cc1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000380904031	568615850	/nfs/dbraw/zinc/61/58/50/568615850.db2.gz	WJGYLORCYNUEIY-UHFFFAOYSA-N	-1	0	433.479	5.442	10	0		IKAERM
O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1c1ccc(F)cc1F	ZINC000399733034	568626752	/nfs/dbraw/zinc/62/67/52/568626752.db2.gz	RQOTZIMJEZOACF-YADHBBJMSA-N	-1	0	449.453	5.014	10	0		IKAERM
CC(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379581	568885200	/nfs/dbraw/zinc/88/52/00/568885200.db2.gz	GAHZSCIGAUPPIK-ZADXLRFVSA-N	-1	0	449.547	5.263	10	0		IKAERM
O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000669379766	568885359	/nfs/dbraw/zinc/88/53/59/568885359.db2.gz	CICJUWMBCWEOSK-SFHVURJKSA-N	-1	0	427.500	5.479	10	0		IKAERM
CCCCC[C@@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675078700	569162137	/nfs/dbraw/zinc/16/21/37/569162137.db2.gz	IZUPOCNCVGOIHE-SBUREZEXSA-N	-1	0	439.577	5.734	10	0		IKAERM
CC[C@H](C)[C@@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079832	569162348	/nfs/dbraw/zinc/16/23/48/569162348.db2.gz	YHZYFCJZLZWCPE-KXNSMUHISA-N	-1	0	425.550	5.200	10	0		IKAERM
CC[C@H](C)[C@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079835	569162350	/nfs/dbraw/zinc/16/23/50/569162350.db2.gz	YHZYFCJZLZWCPE-NXHTTZLHSA-N	-1	0	425.550	5.200	10	0		IKAERM
CC(C)C[C@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079255	569162429	/nfs/dbraw/zinc/16/24/29/569162429.db2.gz	SFHWDLZBDZCYPA-OPAMFIHVSA-N	-1	0	425.550	5.200	10	0		IKAERM
Cc1cc(C)c([C@@H](C(=O)[O-])N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1	ZINC000226781173	569178200	/nfs/dbraw/zinc/17/82/00/569178200.db2.gz	SNCSQHIDUJMQMM-VWLOTQADSA-N	-1	0	429.516	5.618	10	0		IKAERM
CC1(C)CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])c2ccccc21	ZINC000226771108	569178217	/nfs/dbraw/zinc/17/82/17/569178217.db2.gz	ROTJRIOASQWVPR-NDEPHWFRSA-N	-1	0	441.527	5.577	10	0		IKAERM
O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000226811621	569178228	/nfs/dbraw/zinc/17/82/28/569178228.db2.gz	PLTGRIZBMNKCBN-NIYFSFCBSA-N	-1	0	441.527	5.489	10	0		IKAERM
O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000226811628	569178336	/nfs/dbraw/zinc/17/83/36/569178336.db2.gz	PLTGRIZBMNKCBN-BCHFMIIMSA-N	-1	0	441.527	5.489	10	0		IKAERM
Cc1ccc(OCCc2ccccc2C(F)(F)F)c(NC(=O)c2cc(Cl)ccc2[O-])c1	ZINC000201357939	525426306	/nfs/dbraw/zinc/42/63/06/525426306.db2.gz	GQURMWRUDCRBGT-UHFFFAOYSA-N	-1	0	449.856	6.247	10	0		IKAERM
O=C([O-])c1ccc(Nc2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073683337	526379907	/nfs/dbraw/zinc/37/99/07/526379907.db2.gz	JKGLAZZXAFGCQW-UHFFFAOYSA-N	-1	0	436.393	5.666	10	0		IKAERM
COc1ccc(Br)cc1[C@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	ZINC000009408812	556287775	/nfs/dbraw/zinc/28/77/75/556287775.db2.gz	QGXWXFJKVQKCMT-POBIVLNISA-N	-1	0	428.326	5.452	10	0		IKAERM
COc1cccc([C@H](C)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)C(=O)[O-])c1	ZINC000725240761	557130373	/nfs/dbraw/zinc/13/03/73/557130373.db2.gz	AQMCCOHFQIJSHL-ZWKOTPCHSA-N	-1	0	445.515	5.480	10	0		IKAERM
COc1cccc([C@@H](C)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)[O-])c1	ZINC000725240758	557130392	/nfs/dbraw/zinc/13/03/92/557130392.db2.gz	AQMCCOHFQIJSHL-MSOLQXFVSA-N	-1	0	445.515	5.480	10	0		IKAERM
O=C([O-])[C@@H]1CSC[C@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240839	557130735	/nfs/dbraw/zinc/13/07/35/557130735.db2.gz	IDIPLPCEVUAOBN-RPWUZVMVSA-N	-1	0	445.540	5.179	10	0		IKAERM
O=C([O-])[C@H](C1CC1)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240823	557131005	/nfs/dbraw/zinc/13/10/05/557131005.db2.gz	GODROTWNNCECON-VWLOTQADSA-N	-1	0	427.500	5.301	10	0		IKAERM
O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)Cc2cc(Cl)ccc21	ZINC000725240816	557131018	/nfs/dbraw/zinc/13/10/18/557131018.db2.gz	GLEXAOWFGNDPOG-JOCHJYFZSA-N	-1	0	433.891	5.273	10	0		IKAERM
O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C1C2CC3CC(C2)CC1C3	ZINC000725240904	557132486	/nfs/dbraw/zinc/13/24/86/557132486.db2.gz	KZNCKUDCKIVDBA-PVSRKQPTSA-N	-1	0	445.559	5.298	10	0		IKAERM
Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@](C)(C(=O)[O-])C2)cc1	ZINC000725240982	557133014	/nfs/dbraw/zinc/13/30/14/557133014.db2.gz	PFOGHFCCQNQWBK-PIIWDFAUSA-N	-1	0	441.527	5.577	10	0		IKAERM
C[C@H]1C[C@@H](c2ccc(C(=O)[O-])cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241055	557133134	/nfs/dbraw/zinc/13/31/34/557133134.db2.gz	UPCAQJUCLDBCNF-FXAWDEMLSA-N	-1	0	427.500	5.512	10	0		IKAERM
CC(C)(C)C1CCC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])CC1	ZINC000725243908	557141934	/nfs/dbraw/zinc/14/19/34/557141934.db2.gz	BCCAMHKBLKAYKW-UHFFFAOYSA-N	-1	0	435.564	5.832	10	0		IKAERM
O=C([O-])[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@H](C(F)(F)F)C1	ZINC000725245350	557144705	/nfs/dbraw/zinc/14/47/05/557144705.db2.gz	TWYKOPFGGIDBMO-NPMXOYFQSA-N	-1	0	447.453	5.349	10	0		IKAERM
CC1(C)CCC[C@H](C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245331	557144723	/nfs/dbraw/zinc/14/47/23/557144723.db2.gz	BYHVUOLDCHFTIN-RTBURBONSA-N	-1	0	435.564	5.832	10	0		IKAERM
CC(C)C1CCC(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1	ZINC000725245744	557145618	/nfs/dbraw/zinc/14/56/18/557145618.db2.gz	FMSQCVOJUGSROO-XVAXZDLZSA-N	-1	0	449.591	6.078	10	0		IKAERM
CC1=CCC[C@H](C)[C@H]1C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000725246677	557147285	/nfs/dbraw/zinc/14/72/85/557147285.db2.gz	SJNMLXBDYOMFQO-GLDPYIMESA-N	-1	0	433.548	5.608	10	0		IKAERM
CC1=CCC[C@H](C)[C@@H]1C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000725246676	557147359	/nfs/dbraw/zinc/14/73/59/557147359.db2.gz	SJNMLXBDYOMFQO-AXHZCLLHSA-N	-1	0	433.548	5.608	10	0		IKAERM
O=C([O-])CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1	ZINC000309573745	557223642	/nfs/dbraw/zinc/22/36/42/557223642.db2.gz	FBCZDDYPXBHHEN-RUZDIDTESA-N	-1	0	429.516	5.911	10	0		IKAERM
Cc1ccccc1CN(CCCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000309593792	557223974	/nfs/dbraw/zinc/22/39/74/557223974.db2.gz	QVBYJWXBZLSBLU-UHFFFAOYSA-N	-1	0	429.516	5.611	10	0		IKAERM
O=C([O-])C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1c[nH]c2ccccc21	ZINC000725269469	557367839	/nfs/dbraw/zinc/36/78/39/557367839.db2.gz	UNGWJSSLUPJOGC-QGZVFWFLSA-N	-1	0	440.499	5.265	10	0		IKAERM
CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C	ZINC000013509736	562991102	/nfs/dbraw/zinc/99/11/02/562991102.db2.gz	JDAULUKGZUDSNK-JRZBRKEGSA-N	-1	0	427.629	5.832	10	0		IKAERM
C[C@@H](CCCCCCCCCCCCCC/C=C/I)CC(=O)[O-]	ZINC000027895384	563048192	/nfs/dbraw/zinc/04/81/92/563048192.db2.gz	FDWMMXBOERPFFE-LQATUXICSA-N	-1	0	436.418	7.507	10	0		IKAERM
C[C@@](Cc1ccc(Cl)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000235399926	568614162	/nfs/dbraw/zinc/61/41/62/568614162.db2.gz	WLGWHNUTZFPJJY-VWLOTQADSA-N	-1	0	435.907	5.265	10	0		IKAERM
C[C@](Cc1ccc(Cl)cc1)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000235694674	568614358	/nfs/dbraw/zinc/61/43/58/568614358.db2.gz	WLGWHNUTZFPJJY-RUZDIDTESA-N	-1	0	435.907	5.265	10	0		IKAERM
CC1(C)CCC[C@@]2(C1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379280	568885179	/nfs/dbraw/zinc/88/51/79/568885179.db2.gz	AVMNIUFNKRHSKM-NVQXNPDNSA-N	-1	0	435.520	5.017	10	0		IKAERM
O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000669379765	568885288	/nfs/dbraw/zinc/88/52/88/568885288.db2.gz	CICJUWMBCWEOSK-GOSISDBHSA-N	-1	0	427.500	5.479	10	0		IKAERM
CC(C)Oc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380497	568885769	/nfs/dbraw/zinc/88/57/69/568885769.db2.gz	OQNKLFMPHTXUOF-XMMPIXPASA-N	-1	0	443.499	5.239	10	0		IKAERM
C[C@H]1C[C@@]2(CC(C)(C)C1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380903	568885860	/nfs/dbraw/zinc/88/58/60/568885860.db2.gz	ROIYMFRWCGZABY-YICQYGDHSA-N	-1	0	449.547	5.263	10	0		IKAERM
CC1(C)CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380793	568885876	/nfs/dbraw/zinc/88/58/76/568885876.db2.gz	PUUPCEULFDCGIN-QFIPXVFZSA-N	-1	0	435.520	5.017	10	0		IKAERM
CCC1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380790	568885884	/nfs/dbraw/zinc/88/58/84/568885884.db2.gz	PULNQIOVFAGJBF-SPYQMNCUSA-N	-1	0	435.520	5.017	10	0		IKAERM
CCCCN(Cc1ccccc1)c1ncc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-]	ZINC000064978731	569077949	/nfs/dbraw/zinc/07/79/49/569077949.db2.gz	MYIIOMDMHVCPIG-UHFFFAOYSA-N	-1	0	437.927	5.492	10	0		IKAERM
Cc1ccccc1C1=CCN(c2ncc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000064978891	569078050	/nfs/dbraw/zinc/07/80/50/569078050.db2.gz	JAIBKJWBKBRUSH-UHFFFAOYSA-N	-1	0	447.922	5.288	10	0		IKAERM
CC1(C)CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])c2ccccc21	ZINC000226771111	569178157	/nfs/dbraw/zinc/17/81/57/569178157.db2.gz	ROTJRIOASQWVPR-MUUNZHRXSA-N	-1	0	441.527	5.577	10	0		IKAERM
COc1ccc(CC[C@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000226772082	569178216	/nfs/dbraw/zinc/17/82/16/569178216.db2.gz	TYAZIYLQWXIWQQ-MHZLTWQESA-N	-1	0	445.515	5.010	10	0		IKAERM
Cc1cc(C)c([C@H](C(=O)[O-])N(C)C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1	ZINC000226781179	569178235	/nfs/dbraw/zinc/17/82/35/569178235.db2.gz	SNCSQHIDUJMQMM-RUZDIDTESA-N	-1	0	429.516	5.618	10	0		IKAERM
O=C([O-])c1[nH]c2c(cccc2-c2ccc(F)cc2)c1CCCOc1cccc2ccccc21	ZINC000142150632	569254919	/nfs/dbraw/zinc/25/49/19/569254919.db2.gz	LZOFPRRLLKMEKY-UHFFFAOYSA-N	-1	0	439.486	6.837	10	0		IKAERM
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000263616242	569282281	/nfs/dbraw/zinc/28/22/81/569282281.db2.gz	HSZZZVBVEHMHKY-HWAHVBGDSA-N	-1	0	430.673	8.091	10	0		IKAERM
O=C([O-])[C@H](CC[C@H](O)c1ccc(F)cc1)[C@H](Nc1ccc(F)cc1)c1ccc(O)cc1	ZINC000077292479	569293255	/nfs/dbraw/zinc/29/32/55/569293255.db2.gz	XGNDFEVQHMNNOJ-XPWALMASSA-N	-1	0	427.447	5.038	10	0	in-vitro	IKAERM
C[C@@H](CC(=O)[O-])N(Cc1ccc(F)cc1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675080003	569586958	/nfs/dbraw/zinc/58/69/58/569586958.db2.gz	ZSSGWOXUNVCGJA-KRWDZBQOSA-N	-1	0	433.479	5.440	10	0		IKAERM
C[C@H](CC(=O)[O-])N(Cc1ccc(F)cc1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675080007	569586964	/nfs/dbraw/zinc/58/69/64/569586964.db2.gz	ZSSGWOXUNVCGJA-QGZVFWFLSA-N	-1	0	433.479	5.440	10	0		IKAERM
CC(C)=CCC[C@@H](C)[C@H]1CC[C@@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1CC3	ZINC000030729885	574414000	/nfs/dbraw/zinc/41/40/00/574414000.db2.gz	MYWAIWDQTCHPTH-YVHVDXDRSA-N	-1	0	442.684	7.154	10	0	endogenous,in-man	IKAERM
COc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(-c4ccccc4)cc3)n2)c1	ZINC000073698111	525707158	/nfs/dbraw/zinc/70/71/58/525707158.db2.gz	DXCZGKKTXKYGCG-UHFFFAOYSA-N	-1	0	427.460	5.026	10	0		IKAERM
Cc1ccc(/C(=C\c2ccccc2F)C(=O)[O-])cc1Nc1nccc(-c2cccnc2)n1	ZINC000091351737	525938808	/nfs/dbraw/zinc/93/88/08/525938808.db2.gz	FLHBNCXKMXKJMM-DEDYPNTBSA-N	-1	0	426.451	5.355	10	0		IKAERM
O=C([O-])c1cccc(Nc2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)c1	ZINC000073683744	526393053	/nfs/dbraw/zinc/39/30/53/526393053.db2.gz	TTZTURTVIMHBET-UHFFFAOYSA-N	-1	0	435.405	6.271	10	0		IKAERM
O=C([O-])[C@@H]1CCCCN1c1cc(-c2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000073679616	527660165	/nfs/dbraw/zinc/66/01/65/527660165.db2.gz	OWSOSGFMHVSDSA-IBGZPJMESA-N	-1	0	427.426	5.273	10	0		IKAERM
O=C([O-])[C@@H]1C[C@H](Cc2ccc(F)cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000014632663	556430313	/nfs/dbraw/zinc/43/03/13/556430313.db2.gz	VEXHSSPGYVPINR-BVZFJXPGSA-N	-1	0	445.490	5.092	10	0		IKAERM
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CC=C2c1cccnc1	ZINC000077269418	556846991	/nfs/dbraw/zinc/84/69/91/556846991.db2.gz	LUQSJWRTYLGZJB-HLKZYUPGSA-N	-1	0	429.582	5.226	10	0	world	IKAERM
O=C([O-])c1ccoc1CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000400075639	557017369	/nfs/dbraw/zinc/01/73/69/557017369.db2.gz	RRTBRMNALZIFGK-UHFFFAOYSA-N	-1	0	431.488	5.181	10	0		IKAERM
COc1cccc([C@H](C)N(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)[O-])c1	ZINC000725240760	557130547	/nfs/dbraw/zinc/13/05/47/557130547.db2.gz	AQMCCOHFQIJSHL-ROUUACIJSA-N	-1	0	445.515	5.480	10	0		IKAERM
O=C([O-])c1sc2ccsc2c1CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240836	557130752	/nfs/dbraw/zinc/13/07/52/557130752.db2.gz	HSPVTTXLVKOZCI-UHFFFAOYSA-N	-1	0	435.526	5.700	10	0		IKAERM
O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000725240826	557131033	/nfs/dbraw/zinc/13/10/33/557131033.db2.gz	GXLAOQUEIARIMB-VQTJNVASSA-N	-1	0	427.500	5.126	10	0		IKAERM
O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000725240824	557131058	/nfs/dbraw/zinc/13/10/58/557131058.db2.gz	GXLAOQUEIARIMB-PMACEKPBSA-N	-1	0	427.500	5.126	10	0		IKAERM
O=C([O-])c1ccccc1CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1	ZINC000725240949	557131099	/nfs/dbraw/zinc/13/10/99/557131099.db2.gz	NTDMAYQMGJESEB-UHFFFAOYSA-N	-1	0	441.527	5.588	10	0		IKAERM
Cc1cccc([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)[O-])c1	ZINC000725240922	557132746	/nfs/dbraw/zinc/13/27/46/557132746.db2.gz	LVXVPDBQCBZQSR-DFBJGRDBSA-N	-1	0	427.500	5.187	10	0		IKAERM
Cc1cccc([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)[O-])c1	ZINC000725240921	557132781	/nfs/dbraw/zinc/13/27/81/557132781.db2.gz	LVXVPDBQCBZQSR-CLOONOSVSA-N	-1	0	427.500	5.187	10	0		IKAERM
COc1cccc([C@H]2[C@@H](C(=O)[O-])CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000725241119	557132991	/nfs/dbraw/zinc/13/29/91/557132991.db2.gz	XZWCELPTLYPFNZ-ZCYQVOJMSA-N	-1	0	443.499	5.092	10	0		IKAERM
COc1cccc([C@@H]2[C@@H](C(=O)[O-])CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000725241118	557133127	/nfs/dbraw/zinc/13/31/27/557133127.db2.gz	XZWCELPTLYPFNZ-UKILVPOCSA-N	-1	0	443.499	5.092	10	0		IKAERM
O=C([O-])c1ccc2c(ccn2CCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000725241085	557133356	/nfs/dbraw/zinc/13/33/56/557133356.db2.gz	WGFQSCPPFVDWKJ-UHFFFAOYSA-N	-1	0	440.499	5.268	10	0		IKAERM
C[C@@H]1C[C@@H](c2ccc(C(=O)[O-])cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241058	557133365	/nfs/dbraw/zinc/13/33/65/557133365.db2.gz	UPCAQJUCLDBCNF-YLJYHZDGSA-N	-1	0	427.500	5.512	10	0		IKAERM
O=C([O-])[C@@H]1[C@H](c2cccc(F)c2)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241130	557133679	/nfs/dbraw/zinc/13/36/79/557133679.db2.gz	YNRCVBQJTNFYHR-UUOWRZLLSA-N	-1	0	431.463	5.017	10	0		IKAERM
CC1(C)CC(C)(C)CC(CNC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1	ZINC000725244796	557144124	/nfs/dbraw/zinc/14/41/24/557144124.db2.gz	MCMKTLTZHMDQNX-UHFFFAOYSA-N	-1	0	435.564	5.832	10	0		IKAERM
O=C([O-])[C@@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@H](C(F)(F)F)C1	ZINC000725245351	557144692	/nfs/dbraw/zinc/14/46/92/557144692.db2.gz	TWYKOPFGGIDBMO-WNSKOXEYSA-N	-1	0	447.453	5.349	10	0		IKAERM
CC(C)C1CCC(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1	ZINC000725245738	557145700	/nfs/dbraw/zinc/14/57/00/557145700.db2.gz	FMSQCVOJUGSROO-CBNMVNINSA-N	-1	0	449.591	6.078	10	0		IKAERM
CC1=C[C@H](C)C[C@@H](C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245709	557145898	/nfs/dbraw/zinc/14/58/98/557145898.db2.gz	FFIXOISZQOSTIF-SXLOBPIMSA-N	-1	0	433.548	5.608	10	0		IKAERM
CC(C)(C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])c1ccccc1	ZINC000725245783	557146118	/nfs/dbraw/zinc/14/61/18/557146118.db2.gz	GTQQBKMDQPIMAJ-LJQANCHMSA-N	-1	0	443.543	5.594	10	0		IKAERM
C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)[O-]	ZINC000033902528	571747793	/nfs/dbraw/zinc/74/77/93/571747793.db2.gz	GYJSAWZGYQXRBS-XTQLREFJSA-N	-1	0	432.645	5.424	10	0	endogenous,in-man	IKAERM
CN1c2ccccc2N=C(c2ccc(C(=O)[O-])cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C	ZINC000013775910	563005822	/nfs/dbraw/zinc/00/58/22/563005822.db2.gz	DLFBCHSYAZBTSS-UHFFFAOYSA-N	-1	0	438.571	6.984	10	0		IKAERM
O=C([O-])CCCCCCCCCCCCCc1ccc(I)cc1	ZINC000027322913	563041513	/nfs/dbraw/zinc/04/15/13/563041513.db2.gz	LAYJRNOLKDYXNP-UHFFFAOYSA-N	-1	0	430.370	6.600	10	0		IKAERM
COc1ccc([C@H]2CC[C@H](C(=O)[O-])N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000399704210	568626749	/nfs/dbraw/zinc/62/67/49/568626749.db2.gz	JUAOOVPMZVUPJH-JWQCQUIFSA-N	-1	0	443.499	5.234	10	0		IKAERM
C[C@H]1C[C@@]2(CC(C)(C)C1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380902	568885870	/nfs/dbraw/zinc/88/58/70/568885870.db2.gz	ROIYMFRWCGZABY-STBOBJEWSA-N	-1	0	449.547	5.263	10	0		IKAERM
CCCCC[C@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675078694	569162177	/nfs/dbraw/zinc/16/21/77/569162177.db2.gz	IZUPOCNCVGOIHE-GAJHUEQPSA-N	-1	0	439.577	5.734	10	0		IKAERM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000675079775	569162343	/nfs/dbraw/zinc/16/23/43/569162343.db2.gz	XQLISBWQYTYZAO-SANMLTNESA-N	-1	0	433.479	5.397	10	0		IKAERM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@](C)(CC(=O)[O-])c1ccc(F)cc1	ZINC000675079772	569162418	/nfs/dbraw/zinc/16/24/18/569162418.db2.gz	XQLISBWQYTYZAO-AREMUKBSSA-N	-1	0	433.479	5.397	10	0		IKAERM
O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1Cl	ZINC000095748975	569178017	/nfs/dbraw/zinc/17/80/17/569178017.db2.gz	ZSWJICBJNZCLQW-NRFANRHFSA-N	-1	0	442.298	5.658	10	0		IKAERM
CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1ccc(F)c(F)c1	ZINC000226788655	569178220	/nfs/dbraw/zinc/17/82/20/569178220.db2.gz	RNFXNQGIEPXGBI-QHCPKHFHSA-N	-1	0	437.442	5.362	10	0		IKAERM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000226779759	569178226	/nfs/dbraw/zinc/17/82/26/569178226.db2.gz	NFDDIWZNBMUKCK-JOCHJYFZSA-N	-1	0	441.405	5.111	10	0		IKAERM
O=S(=O)([O-])C1c2cccc(c2)Cc2cccc(c2)Cc2cccc(c2)Cc2cccc1c2	ZINC000164920619	569255258	/nfs/dbraw/zinc/25/52/58/569255258.db2.gz	LSPMSLHSCWOOHQ-UHFFFAOYSA-N	-1	0	440.564	5.750	10	0		IKAERM
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000263616243	569282335	/nfs/dbraw/zinc/28/23/35/569282335.db2.gz	HSZZZVBVEHMHKY-QFQZGRCLSA-N	-1	0	430.673	8.091	10	0		IKAERM
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@H]3CC[C@@]21C	ZINC000004096562	574412188	/nfs/dbraw/zinc/41/21/88/574412188.db2.gz	UQFZKTIHSICSPG-DSHYQQBWSA-N	-1	0	444.700	7.090	10	0	endogenous,in-man	IKAERM
CCCCCc1cc(OC(=O)c2c(O)cc(OC)cc2CCCCC)cc(O)c1C(=O)[O-]	ZINC000005812130	291403401	/nfs/dbraw/zinc/40/34/01/291403401.db2.gz	UTAQXQVSEKIWBB-UHFFFAOYSA-N	-1	0	444.524	5.489	10	0	biogenic,in-vitro	IKAERM
COc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1	ZINC000073700067	523116432	/nfs/dbraw/zinc/11/64/32/523116432.db2.gz	JTPBOQPUZRHREP-UHFFFAOYSA-N	-1	0	443.459	5.152	10	0		IKAERM
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(OCc4ccccc4)cc3)n2)c1	ZINC000073699968	524108776	/nfs/dbraw/zinc/10/87/76/524108776.db2.gz	PQKQJLLYSCTGMK-UHFFFAOYSA-N	-1	0	441.487	5.238	10	0		IKAERM
O=C([O-])c1ccc(Nc2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073683334	526379481	/nfs/dbraw/zinc/37/94/81/526379481.db2.gz	HSVGLBIAJZONHX-UHFFFAOYSA-N	-1	0	435.405	6.271	10	0		IKAERM
O=C([O-])c1ccc(Oc2cc(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073682775	526382301	/nfs/dbraw/zinc/38/23/01/526382301.db2.gz	SVURBKDWXJUZNI-UHFFFAOYSA-N	-1	0	437.377	5.715	10	0		IKAERM
O=C([O-])c1cccc(Nc2cc(-c3ccncc3)nc(-c3ccc(C(F)(F)F)cc3)n2)c1	ZINC000073683747	526393088	/nfs/dbraw/zinc/39/30/88/526393088.db2.gz	AWWDLISKERFWTN-UHFFFAOYSA-N	-1	0	436.393	5.666	10	0		IKAERM
O=C([O-])c1cccc(Nc2cc(-c3cccnc3)nc(-c3ccc(C(F)(F)F)cc3)n2)c1	ZINC000073683751	526393154	/nfs/dbraw/zinc/39/31/54/526393154.db2.gz	FIUNCAZTUXWPEB-UHFFFAOYSA-N	-1	0	436.393	5.666	10	0		IKAERM
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2[C@H]3CC[C@H](C3)[C@@H]21	ZINC000009408813	556287876	/nfs/dbraw/zinc/28/78/76/556287876.db2.gz	QGXWXFJKVQKCMT-QOAUEAPYSA-N	-1	0	428.326	5.452	10	0		IKAERM
O=C([O-])c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2	ZINC000032917451	556549178	/nfs/dbraw/zinc/54/91/78/556549178.db2.gz	GZSWLEZVDIPMPF-UHFFFAOYSA-N	-1	0	429.419	5.715	10	0		IKAERM
O=C([O-])C1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CC2(C1)CCCCCC2	ZINC000722629623	556746641	/nfs/dbraw/zinc/74/66/41/556746641.db2.gz	LJOOYHDPDLIJNW-UHFFFAOYSA-N	-1	0	433.548	5.731	10	0		IKAERM
O=C([O-])[C@H]1CSC[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240837	557130749	/nfs/dbraw/zinc/13/07/49/557130749.db2.gz	IDIPLPCEVUAOBN-BJKOFHAPSA-N	-1	0	445.540	5.179	10	0		IKAERM
O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000725240827	557131049	/nfs/dbraw/zinc/13/10/49/557131049.db2.gz	GXLAOQUEIARIMB-WOJBJXKFSA-N	-1	0	427.500	5.126	10	0		IKAERM
O=C([O-])[C@@H](C1CC1)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240822	557131093	/nfs/dbraw/zinc/13/10/93/557131093.db2.gz	GODROTWNNCECON-RUZDIDTESA-N	-1	0	427.500	5.301	10	0		IKAERM
Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241108	557133327	/nfs/dbraw/zinc/13/33/27/557133327.db2.gz	XUGWQJHOOUHFDQ-HSZRJFAPSA-N	-1	0	430.504	5.199	10	0		IKAERM
CC1(C)CCC[C@H](C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245319	557144662	/nfs/dbraw/zinc/14/46/62/557144662.db2.gz	BYHVUOLDCHFTIN-MOPGFXCFSA-N	-1	0	435.564	5.832	10	0		IKAERM
CC1(C)CCC[C@@H](C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245327	557144710	/nfs/dbraw/zinc/14/47/10/557144710.db2.gz	BYHVUOLDCHFTIN-RBUKOAKNSA-N	-1	0	435.564	5.832	10	0		IKAERM
O=C([O-])[C@@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@@H](C(F)(F)F)C1	ZINC000725245329	557144732	/nfs/dbraw/zinc/14/47/32/557144732.db2.gz	TWYKOPFGGIDBMO-CMJOXMDJSA-N	-1	0	447.453	5.349	10	0		IKAERM
O=C([O-])CCCN(Cc1cccc(F)c1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000309576989	557223923	/nfs/dbraw/zinc/22/39/23/557223923.db2.gz	MPNUPNUPUYZSHM-UHFFFAOYSA-N	-1	0	433.479	5.442	10	0		IKAERM
O=C([O-])C1(C2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)CC2(CCC2)C1	ZINC000725271593	557369483	/nfs/dbraw/zinc/36/94/83/557369483.db2.gz	IAWKEOHAUPLHJI-UHFFFAOYSA-N	-1	0	445.559	5.683	10	0		IKAERM
CCOc1ccccc1[C@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000226851531	557376781	/nfs/dbraw/zinc/37/67/81/557376781.db2.gz	LVJUCWZWVJVMAD-QHCPKHFHSA-N	-1	0	431.488	5.140	10	0		IKAERM
C[C@H](CCCCCCCCCCCCCC/C=C/I)CC(=O)[O-]	ZINC000006491692	562946871	/nfs/dbraw/zinc/94/68/71/562946871.db2.gz	FDWMMXBOERPFFE-POWXATIXSA-N	-1	0	436.418	7.507	10	0		IKAERM
CCc1oc2ccccc2c1[C@H](O)c1cc(Br)c([O-])c(Br)c1	ZINC000013586698	562995479	/nfs/dbraw/zinc/99/54/79/562995479.db2.gz	XJYGBWCERLPZTG-MRXNPFEDSA-N	-1	0	426.104	5.308	10	0		IKAERM
Cc1nc(-c2c([O-])c3cc(-c4ccc(N(C)C)cc4)c(Cl)cc3[nH]c2=O)c(C)s1	ZINC000095575341	563185632	/nfs/dbraw/zinc/18/56/32/563185632.db2.gz	DVENMDYPSFIIAZ-UHFFFAOYSA-N	-1	0	425.941	5.360	10	0		IKAERM
O=C([O-])CCN(Cc1cccc(Cl)c1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000380893602	568615846	/nfs/dbraw/zinc/61/58/46/568615846.db2.gz	AZRYXDCESCRKII-UHFFFAOYSA-N	-1	0	435.907	5.566	10	0		IKAERM
CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000044546638	568620183	/nfs/dbraw/zinc/62/01/83/568620183.db2.gz	BAWUXFKOBQLNJZ-VWLOTQADSA-N	-1	0	443.543	6.039	10	0		IKAERM
COc1ccc([C@H]2CC[C@@H](C(=O)[O-])N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000399704217	568626762	/nfs/dbraw/zinc/62/67/62/568626762.db2.gz	JUAOOVPMZVUPJH-RPBOFIJWSA-N	-1	0	443.499	5.234	10	0		IKAERM
CC1(C)CCC[C@]2(C1)OC[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379277	568885073	/nfs/dbraw/zinc/88/50/73/568885073.db2.gz	AVMNIUFNKRHSKM-BKMJKUGQSA-N	-1	0	435.520	5.017	10	0		IKAERM
CC1(C)CCC[C@@]2(C1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379279	568885176	/nfs/dbraw/zinc/88/51/76/568885176.db2.gz	AVMNIUFNKRHSKM-GJZUVCINSA-N	-1	0	435.520	5.017	10	0		IKAERM
CCCC1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669379608	568885186	/nfs/dbraw/zinc/88/51/86/568885186.db2.gz	GSSOXHXICDZOTG-YQXBWWBASA-N	-1	0	449.547	5.408	10	0		IKAERM
CC(C)Oc1cccc2c1C[C@@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380496	568885793	/nfs/dbraw/zinc/88/57/93/568885793.db2.gz	OQNKLFMPHTXUOF-DEOSSOPVSA-N	-1	0	443.499	5.239	10	0		IKAERM
C[C@H]1C[C@]2(CC(C)(C)C1)OC[C@H](C(=O)[O-])N2C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000669380904	568885888	/nfs/dbraw/zinc/88/58/88/568885888.db2.gz	ROIYMFRWCGZABY-YSLVQDFJSA-N	-1	0	449.547	5.263	10	0		IKAERM
O=C([O-])c1ccc(Cl)c2c1CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2	ZINC000669384068	568886264	/nfs/dbraw/zinc/88/62/64/568886264.db2.gz	NCTWNRXZAWJAAV-UHFFFAOYSA-N	-1	0	433.891	5.345	10	0		IKAERM
CCCCN(Cc1ccccc1)c1ncc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-]	ZINC000064978740	569077974	/nfs/dbraw/zinc/07/79/74/569077974.db2.gz	ZXNNMPQCDCHUBW-UHFFFAOYSA-N	-1	0	437.927	5.492	10	0		IKAERM
CC[C@H](CC(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C)cs1	ZINC000675078675	569162129	/nfs/dbraw/zinc/16/21/29/569162129.db2.gz	INTKLKCSZVQFII-MRXNPFEDSA-N	-1	0	436.533	5.460	10	0		IKAERM
CC(C)C[C@@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079250	569162404	/nfs/dbraw/zinc/16/24/04/569162404.db2.gz	SFHWDLZBDZCYPA-AOMKIAJQSA-N	-1	0	425.550	5.200	10	0		IKAERM
CC(C)C[C@@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079256	569162420	/nfs/dbraw/zinc/16/24/20/569162420.db2.gz	SFHWDLZBDZCYPA-ZHRRBRCNSA-N	-1	0	425.550	5.200	10	0		IKAERM
O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000226811614	569178169	/nfs/dbraw/zinc/17/81/69/569178169.db2.gz	PLTGRIZBMNKCBN-SIBVEZHUSA-N	-1	0	441.527	5.489	10	0		IKAERM
CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000226788695	569178214	/nfs/dbraw/zinc/17/82/14/569178214.db2.gz	ROFAPVUFYGINCV-QHCPKHFHSA-N	-1	0	435.907	5.737	10	0		IKAERM
CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000226788685	569178225	/nfs/dbraw/zinc/17/82/25/569178225.db2.gz	ROFAPVUFYGINCV-HSZRJFAPSA-N	-1	0	435.907	5.737	10	0		IKAERM
COc1ccc(CC[C@@](C)(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000226772074	569178237	/nfs/dbraw/zinc/17/82/37/569178237.db2.gz	TYAZIYLQWXIWQQ-HHHXNRCGSA-N	-1	0	445.515	5.010	10	0		IKAERM
Cc1nc2ccccc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@@H](OC(C)(C)C)C(=O)[O-]	ZINC000211513433	569587155	/nfs/dbraw/zinc/58/71/55/569587155.db2.gz	MIXIIJCBELCMCZ-RUZDIDTESA-N	-1	0	442.515	5.634	10	0		IKAERM
C[C@@]12CC[C@@]3(C(=O)[O-])[C@@H](C1)C1=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)C[C@@H]23	ZINC000004097832	291399621	/nfs/dbraw/zinc/39/96/21/291399621.db2.gz	AXDBORJNOUXIBC-FZVIGMKHSA-N	-1	0	440.668	6.453	10	0	biogenic,in-vitro	IKAERM
COc1cccc(-c2cc(OCC(=O)[O-])nc(N(c3ccccc3)c3ccccc3)n2)c1	ZINC000073698908	525706739	/nfs/dbraw/zinc/70/67/39/525706739.db2.gz	ZEBMWMHGNXUGAY-UHFFFAOYSA-N	-1	0	427.460	5.085	10	0		IKAERM
O=C([O-])c1ccc(Nc2cc(-c3ccccn3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1	ZINC000073683346	526380061	/nfs/dbraw/zinc/38/00/61/526380061.db2.gz	PETFNSONBQUGGQ-UHFFFAOYSA-N	-1	0	436.393	5.666	10	0		IKAERM
O=C([O-])c1cccc(Nc2cc(-c3ccccn3)nc(-c3ccc(C(F)(F)F)cc3)n2)c1	ZINC000073683755	526393398	/nfs/dbraw/zinc/39/33/98/526393398.db2.gz	MYSMDTZVZSHBAG-UHFFFAOYSA-N	-1	0	436.393	5.666	10	0		IKAERM
O=C(Nc1cc(C(F)(F)F)ccc1OCCCc1ccccc1)c1cc(Cl)ccc1[O-]	ZINC000201360498	527105583	/nfs/dbraw/zinc/10/55/83/527105583.db2.gz	ATJJMFKTHHWELA-UHFFFAOYSA-N	-1	0	449.856	6.328	10	0		IKAERM
O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccc(-c3ccncc3)cc2)cs1)c1ccccc1	ZINC000006744035	556103118	/nfs/dbraw/zinc/10/31/18/556103118.db2.gz	VMTJQZUZINLEKC-JOCHJYFZSA-N	-1	0	428.513	5.423	10	0	in-vivo	IKAERM
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2[C@H]1[C@@H]1CC[C@H]2C1	ZINC000009408811	556287888	/nfs/dbraw/zinc/28/78/88/556287888.db2.gz	QGXWXFJKVQKCMT-PAMJOHJASA-N	-1	0	428.326	5.452	10	0		IKAERM
O=C([O-])[C@H](Cc1ccc(C(F)F)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000228918493	556581440	/nfs/dbraw/zinc/58/14/40/556581440.db2.gz	MKKRFWADPCHCFX-QFIPXVFZSA-N	-1	0	437.442	5.159	10	0		IKAERM
O=C([O-])[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1	ZINC000722976399	556749400	/nfs/dbraw/zinc/74/94/00/556749400.db2.gz	DKRGKXLQTMAACS-HXUWFJFHSA-N	-1	0	429.516	5.249	10	0		IKAERM
O=C([O-])[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)Cc1ccccc1	ZINC000722976394	556749421	/nfs/dbraw/zinc/74/94/21/556749421.db2.gz	DKRGKXLQTMAACS-FQEVSTJZSA-N	-1	0	429.516	5.249	10	0		IKAERM
O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)OCC1c3ccccc3-c3ccccc31)CCC2	ZINC000723271770	556808036	/nfs/dbraw/zinc/80/80/36/556808036.db2.gz	OBDHLBINWJWYKK-IBGZPJMESA-N	-1	0	427.500	5.343	10	0		IKAERM
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CC=C2c1cccnc1	ZINC000077269415	556847012	/nfs/dbraw/zinc/84/70/12/556847012.db2.gz	LUQSJWRTYLGZJB-VJLLXTKPSA-N	-1	0	429.582	5.226	10	0	world	IKAERM
CC(C)(CCC1C[C@@H]2CCC[C@H](C1)C2)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000071788266	556888298	/nfs/dbraw/zinc/88/82/98/556888298.db2.gz	AICFAXAINRRNTG-UNEJAWRNSA-N	-1	0	440.584	5.665	10	0		IKAERM
O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240788	557130184	/nfs/dbraw/zinc/13/01/84/557130184.db2.gz	COHRUDCBRQPVKX-UHFFFAOYSA-N	-1	0	437.442	5.191	10	0		IKAERM
Cc1cccc([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)[O-])c1	ZINC000725240923	557132670	/nfs/dbraw/zinc/13/26/70/557132670.db2.gz	LVXVPDBQCBZQSR-KBMIEXCESA-N	-1	0	427.500	5.187	10	0		IKAERM
Cc1ccc([C@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@](C)(C(=O)[O-])C2)cc1	ZINC000725240981	557132721	/nfs/dbraw/zinc/13/27/21/557132721.db2.gz	PFOGHFCCQNQWBK-NGOKVRLYSA-N	-1	0	441.527	5.577	10	0		IKAERM
C[C@@H]1C[C@H](c2ccc(C(=O)[O-])cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241057	557133283	/nfs/dbraw/zinc/13/32/83/557133283.db2.gz	UPCAQJUCLDBCNF-XLIONFOSSA-N	-1	0	427.500	5.512	10	0		IKAERM
C[C@H]1C[C@H](c2ccc(C(=O)[O-])cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241056	557133338	/nfs/dbraw/zinc/13/33/38/557133338.db2.gz	UPCAQJUCLDBCNF-PXNSSMCTSA-N	-1	0	427.500	5.512	10	0		IKAERM
COc1cccc([C@@H]2[C@H](C(=O)[O-])CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000725241116	557133683	/nfs/dbraw/zinc/13/36/83/557133683.db2.gz	XZWCELPTLYPFNZ-ILBGXUMGSA-N	-1	0	443.499	5.092	10	0		IKAERM
O=C([O-])CC[C@@H]1CC[C@H](C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725242213	557136860	/nfs/dbraw/zinc/13/68/60/557136860.db2.gz	NBECJXIXSFRHRH-VBKZILBWSA-N	-1	0	433.426	5.196	10	0		IKAERM
O=C([O-])[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCC[C@@H](C(F)(F)F)C1	ZINC000725245345	557144714	/nfs/dbraw/zinc/14/47/14/557144714.db2.gz	TWYKOPFGGIDBMO-IQMFZBJNSA-N	-1	0	447.453	5.349	10	0		IKAERM
CC1=C[C@H](C)C[C@H](C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1	ZINC000725245712	557145930	/nfs/dbraw/zinc/14/59/30/557145930.db2.gz	FFIXOISZQOSTIF-YSIASYRMSA-N	-1	0	433.548	5.608	10	0		IKAERM
CC1(C)CCC(C[C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1	ZINC000725246739	557147299	/nfs/dbraw/zinc/14/72/99/557147299.db2.gz	VBZSDVAJZKIPEM-IBGZPJMESA-N	-1	0	435.564	5.832	10	0		IKAERM
CC1(C)CCC(C[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1	ZINC000725246740	557147383	/nfs/dbraw/zinc/14/73/83/557147383.db2.gz	VBZSDVAJZKIPEM-LJQANCHMSA-N	-1	0	435.564	5.832	10	0		IKAERM
O=C([O-])CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1	ZINC000309573749	557223755	/nfs/dbraw/zinc/22/37/55/557223755.db2.gz	FBCZDDYPXBHHEN-VWLOTQADSA-N	-1	0	429.516	5.911	10	0		IKAERM
O=C([O-])C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)c1c[nH]c2ccccc21	ZINC000725269463	557367929	/nfs/dbraw/zinc/36/79/29/557367929.db2.gz	UNGWJSSLUPJOGC-KRWDZBQOSA-N	-1	0	440.499	5.265	10	0		IKAERM
C[C@H](CCC[C@H](C)C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000033902529	571748027	/nfs/dbraw/zinc/74/80/27/571748027.db2.gz	GYJSAWZGYQXRBS-NWICSPPLSA-N	-1	0	432.645	5.424	10	0	endogenous,in-man	IKAERM
CCCCCN(CCCCC)C(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2ccccc2c1	ZINC000003780994	562937819	/nfs/dbraw/zinc/93/78/19/562937819.db2.gz	LFMMKOQRKPJBIG-HSZRJFAPSA-N	-1	0	440.584	5.012	10	0	in-man	IKAERM
CCCS[C@@H](Cc1ccc2oc(Cc3nc(-c4ccccc4)oc3C)cc2c1)C(=O)[O-]	ZINC000013896729	563013852	/nfs/dbraw/zinc/01/38/52/563013852.db2.gz	JWYZUNXLVDVFIH-QHCPKHFHSA-N	-1	0	435.545	6.126	10	0		IKAERM
O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1	ZINC000026920345	563037787	/nfs/dbraw/zinc/03/77/87/563037787.db2.gz	BCWFPQLVRPXRGU-HMAPJEAMSA-N	-1	0	445.496	5.200	10	0		IKAERM
CCO[C@@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1	ZINC000028704625	563061804	/nfs/dbraw/zinc/06/18/04/563061804.db2.gz	JWHYSEDOYMYMNM-KRWDZBQOSA-N	-1	0	444.471	5.053	10	0		IKAERM
CC[C@@H](CC(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)c1nc(C)cs1	ZINC000675078672	569162219	/nfs/dbraw/zinc/16/22/19/569162219.db2.gz	INTKLKCSZVQFII-INIZCTEOSA-N	-1	0	436.533	5.460	10	0		IKAERM
CC(C)C[C@H]1SC[C@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079253	569162352	/nfs/dbraw/zinc/16/23/52/569162352.db2.gz	SFHWDLZBDZCYPA-KSFYIVLOSA-N	-1	0	425.550	5.200	10	0		IKAERM
CC[C@H](C)[C@@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675079852	569162419	/nfs/dbraw/zinc/16/24/19/569162419.db2.gz	YHZYFCJZLZWCPE-PXAQALGRSA-N	-1	0	425.550	5.200	10	0		IKAERM
O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1Cl	ZINC000095748974	569177964	/nfs/dbraw/zinc/17/79/64/569177964.db2.gz	ZSWJICBJNZCLQW-OAQYLSRUSA-N	-1	0	442.298	5.658	10	0		IKAERM
COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1Cl	ZINC000226318385	569177986	/nfs/dbraw/zinc/17/79/86/569177986.db2.gz	WFOLIWCBVPBBHU-JOCHJYFZSA-N	-1	0	437.879	5.013	10	0		IKAERM
CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1	ZINC000226779766	569178151	/nfs/dbraw/zinc/17/81/51/569178151.db2.gz	NFDDIWZNBMUKCK-QFIPXVFZSA-N	-1	0	441.405	5.111	10	0		IKAERM
CC[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000226771471	569178188	/nfs/dbraw/zinc/17/81/88/569178188.db2.gz	SPBRVOOZBAGXSI-VWLOTQADSA-N	-1	0	435.907	5.569	10	0		IKAERM
CC[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000226771475	569178211	/nfs/dbraw/zinc/17/82/11/569178211.db2.gz	SPBRVOOZBAGXSI-RUZDIDTESA-N	-1	0	435.907	5.569	10	0		IKAERM
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000263616244	569282284	/nfs/dbraw/zinc/28/22/84/569282284.db2.gz	HSZZZVBVEHMHKY-YSWJNTRLSA-N	-1	0	430.673	8.091	10	0		IKAERM
COc1cc(/C=C\C(=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1Cl	ZINC000033431451	521979184	/nfs/dbraw/zinc/97/91/84/521979184.db2.gz	YMOYVAXNYZRIKY-HYXAFXHYSA-N	-1	0	432.097	5.441	10	0		IKAERM
Cc1ccc2oc(-c3ccc(OCCC(C)C)cc3)c/c(=N/c3cccc(C(=O)[O-])c3)c2c1	ZINC000021486320	524085605	/nfs/dbraw/zinc/08/56/05/524085605.db2.gz	NNOFBBILVZLWDI-GNVQSUKOSA-N	-1	0	441.527	6.764	10	0		IKAERM
Cc1cccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(Oc4ccccc4)cc3)n2)c1	ZINC000073700070	524108792	/nfs/dbraw/zinc/10/87/92/524108792.db2.gz	ILZOTHRHOIGHKP-UHFFFAOYSA-N	-1	0	427.460	5.451	10	0		IKAERM
Cc1ccc(-c2cc(OCC(=O)[O-])nc(Nc3ccc(OCc4ccccc4)cc3)n2)cc1	ZINC000073699972	525736860	/nfs/dbraw/zinc/73/68/60/525736860.db2.gz	XGLZKOFIVNINQU-UHFFFAOYSA-N	-1	0	441.487	5.238	10	0		IKAERM
O=C([O-])C1CCN(c2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1	ZINC000073681872	527565169	/nfs/dbraw/zinc/56/51/69/527565169.db2.gz	XZSHMGLWGNQGGA-UHFFFAOYSA-N	-1	0	427.426	5.130	10	0		IKAERM
FC(F)(F)c1cccc(Nc2nc(Cl)nc([N-]c3nc(-c4ccccc4)cs3)n2)c1	ZINC000020530478	527686428	/nfs/dbraw/zinc/68/64/28/527686428.db2.gz	CAROLXHYSDMLRR-UHFFFAOYSA-N	-1	0	448.861	6.155	10	0		IKAERM
Cc1ccc([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)[O-])cc1	ZINC000725240756	557130129	/nfs/dbraw/zinc/13/01/29/557130129.db2.gz	ACCSMSWVBGRPLL-KBMIEXCESA-N	-1	0	427.500	5.187	10	0		IKAERM
O=C([O-])[C@H]1C[C@@H](c2ccccc2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000725240825	557131047	/nfs/dbraw/zinc/13/10/47/557131047.db2.gz	GXLAOQUEIARIMB-UXHICEINSA-N	-1	0	427.500	5.126	10	0		IKAERM
O=C([O-])c1cnc(CC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)s1	ZINC000725240880	557132419	/nfs/dbraw/zinc/13/24/19/557132419.db2.gz	JNAGCOMQNIKGSK-UHFFFAOYSA-N	-1	0	448.544	5.045	10	0		IKAERM
Cc1cccc([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)[O-])c1	ZINC000725240924	557132678	/nfs/dbraw/zinc/13/26/78/557132678.db2.gz	LVXVPDBQCBZQSR-UQBPGWFLSA-N	-1	0	427.500	5.187	10	0		IKAERM
COc1cccc([C@H]2[C@H](C(=O)[O-])CCN2C(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000725241117	557133098	/nfs/dbraw/zinc/13/30/98/557133098.db2.gz	XZWCELPTLYPFNZ-NOZRDPDXSA-N	-1	0	443.499	5.092	10	0		IKAERM
O=C([O-])c1csc(CC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)n1	ZINC000725240989	557133119	/nfs/dbraw/zinc/13/31/19/557133119.db2.gz	POFWXMMGKUICON-UHFFFAOYSA-N	-1	0	448.544	5.045	10	0		IKAERM
Cc1ccc(C2(C(=O)[O-])CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000725240988	557133131	/nfs/dbraw/zinc/13/31/31/557133131.db2.gz	PNRQHXXXGHAGQD-UHFFFAOYSA-N	-1	0	441.527	5.362	10	0		IKAERM
Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725241109	557133687	/nfs/dbraw/zinc/13/36/87/557133687.db2.gz	XUGWQJHOOUHFDQ-QHCPKHFHSA-N	-1	0	430.504	5.199	10	0		IKAERM
O=C([O-])[C@@H]1CC[C@@H](c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725242265	557136862	/nfs/dbraw/zinc/13/68/62/557136862.db2.gz	QKOQHHGBOIRSFD-ZEQRLZLVSA-N	-1	0	431.463	5.365	10	0		IKAERM
COc1ccc(-c2ccc3cc(C(=O)[O-])ccc3c2)cc1[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2	ZINC000103567394	557316801	/nfs/dbraw/zinc/31/68/01/557316801.db2.gz	ZVFMDETWRVTMJF-GZDATYFPSA-N	-1	0	428.528	5.796	10	0	in-vitro	IKAERM
CO[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc21)C(=O)[O-]	ZINC000013973811	563014029	/nfs/dbraw/zinc/01/40/29/563014029.db2.gz	DAYKLWSKQJBGCS-OAQYLSRUSA-N	-1	0	437.517	5.128	10	0		IKAERM
Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc43)c(C(=O)[O-])[nH]c21	ZINC000095933259	563195064	/nfs/dbraw/zinc/19/50/64/563195064.db2.gz	YXFMHHXNIYGNKK-UHFFFAOYSA-N	-1	0	435.523	7.006	10	0		IKAERM
O=C([O-])c1ccc(Br)c(NC(=O)OCC2c3ccccc3-c3ccccc32)c1	ZINC000236475102	568614749	/nfs/dbraw/zinc/61/47/49/568614749.db2.gz	WWUXWKNMPXUASF-UHFFFAOYSA-N	-1	0	438.277	5.508	10	0		IKAERM
O=C([O-])CCCN(CCc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000380896523	568615864	/nfs/dbraw/zinc/61/58/64/568615864.db2.gz	KAEKRYMFQJSMSG-UHFFFAOYSA-N	-1	0	429.516	5.345	10	0		IKAERM
CCCCN(Cc1ccccc1)c1ncc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-]	ZINC000064978729	569077954	/nfs/dbraw/zinc/07/79/54/569077954.db2.gz	YSDYRBMUSXOAML-UHFFFAOYSA-N	-1	0	437.927	5.492	10	0		IKAERM
CCCCC(=O)Nc1cnc(N(CC)CCC23CC4CC(CC(C4)C2)C3)c(C(=O)[O-])c1	ZINC000065331088	569137193	/nfs/dbraw/zinc/13/71/93/569137193.db2.gz	XYDAJGGQEJSYDY-UHFFFAOYSA-N	-1	0	427.589	5.341	10	0		IKAERM
CCCCC[C@@H]1SC[C@@H](CC(=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000675078698	569162190	/nfs/dbraw/zinc/16/21/90/569162190.db2.gz	IZUPOCNCVGOIHE-HXOBKFHXSA-N	-1	0	439.577	5.734	10	0		IKAERM
O=C([O-])[C@H](c1c(F)cccc1F)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1	ZINC000226800927	569178148	/nfs/dbraw/zinc/17/81/48/569178148.db2.gz	BFPLVBILVOWGQY-DEOSSOPVSA-N	-1	0	449.453	5.504	10	0		IKAERM
O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000226811611	569178177	/nfs/dbraw/zinc/17/81/77/569178177.db2.gz	PLTGRIZBMNKCBN-AFMDSPMNSA-N	-1	0	441.527	5.489	10	0		IKAERM
O=C([O-])[C@H](Cc1ccccc1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1	ZINC000226800064	569178207	/nfs/dbraw/zinc/17/82/07/569178207.db2.gz	WKSSMZSICXTKET-VWLOTQADSA-N	-1	0	427.500	5.096	10	0		IKAERM
COc1ccc([C@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)cc1	ZINC000226807402	569178215	/nfs/dbraw/zinc/17/82/15/569178215.db2.gz	CNBHIZODLZOSQE-RUZDIDTESA-N	-1	0	445.515	5.480	10	0		IKAERM