smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](CO)C(=O)[O-])ccc3C2=O)cc1OC	ZINC000012882659	523424873	/nfs/dbraw/zinc/42/48/73/523424873.db2.gz	BMTLEIZNIKPUDP-CPIUSTHESA-N	-1	0	443.408	1.261	50	30	biogenic	IDEARM
COc1ccc(Cl)cc1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000009581064	524216011	/nfs/dbraw/zinc/21/60/11/524216011.db2.gz	ALXRTPJFCGKWDS-LROIWZQWSA-N	-1	0	432.907	1.815	50	30		IDEARM
COc1ccc(OC)c(/C=C2\Oc3cc(OCC(=O)N[C@@H](CO)C(=O)[O-])ccc3C2=O)c1	ZINC000008790685	524799361	/nfs/dbraw/zinc/79/93/61/524799361.db2.gz	DMQXFVMBLTYXNL-ASTMVQESSA-N	-1	0	443.408	1.261	50	30	biogenic	IDEARM
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)o1	ZINC000012371821	525153930	/nfs/dbraw/zinc/15/39/30/525153930.db2.gz	HUFQRNYOZKCNCH-WJDWOHSUSA-N	-1	0	434.474	1.359	50	30		IDEARM
O=C(C[C@@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-])Nc1ccc2c(c1)OCCO2	ZINC000071281972	527140093	/nfs/dbraw/zinc/14/00/93/527140093.db2.gz	PGZDFQLTFCEWIU-URMYYVDKSA-N	-1	0	427.848	1.918	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl	ZINC000013556014	527613962	/nfs/dbraw/zinc/61/39/62/527613962.db2.gz	FMOFFZDCCFYMKY-BFESSNOMSA-N	-1	0	432.907	1.038	50	30		IDEARM
O=C([O-])COc1cccc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)c1	ZINC000008694785	527619096	/nfs/dbraw/zinc/61/90/96/527619096.db2.gz	MBXVEAIHRCOCGN-HYARGMPZSA-N	-1	0	441.492	1.608	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2	ZINC000011907298	556671891	/nfs/dbraw/zinc/67/18/91/556671891.db2.gz	YUCXJHJFCARWEZ-FCXKHPDRSA-N	-1	0	426.472	1.272	50	30		IDEARM
COc1ccc(CCN2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000011999258	556679868	/nfs/dbraw/zinc/67/98/68/556679868.db2.gz	JQUCSJTXJNTFBZ-HCKAZOGZSA-N	-1	0	440.543	1.590	50	30		IDEARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000253500118	569283453	/nfs/dbraw/zinc/28/34/53/569283453.db2.gz	WXAWNCDYPXVODT-ADHQCREQSA-N	-1	0	435.517	1.670	50	30	biogenic	IDEARM
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@]12c1ccccc1N(CC(=O)[O-])C2=O	ZINC000027987822	569405286	/nfs/dbraw/zinc/40/52/86/569405286.db2.gz	NPEWQJQZLYARLN-JOCHJYFZSA-N	-1	0	426.425	1.372	50	30		IDEARM
CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)cc1	ZINC000225681815	569406979	/nfs/dbraw/zinc/40/69/79/569406979.db2.gz	LVHHPPLRKGCZIJ-UHFFFAOYSA-N	-1	0	442.541	1.797	50	30		IDEARM
CN(C)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000008994792	569495564	/nfs/dbraw/zinc/49/55/64/569495564.db2.gz	HWZDHWODRQMPTN-NOJWBWKLSA-N	-1	0	425.532	1.609	50	30		IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	ZINC000009237016	569514194	/nfs/dbraw/zinc/51/41/94/569514194.db2.gz	OJIJMSMYZDCBJK-NPWBBNBUSA-N	-1	0	442.515	1.560	50	30		IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	ZINC000009237011	569514224	/nfs/dbraw/zinc/51/42/24/569514224.db2.gz	OJIJMSMYZDCBJK-QNLHBCBFSA-N	-1	0	442.515	1.560	50	30		IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC	ZINC000009348110	569524397	/nfs/dbraw/zinc/52/43/97/569524397.db2.gz	QKSFSFXEPGTZJU-SUUAPBBVSA-N	-1	0	442.515	1.560	50	30		IDEARM
COc1ccccc1CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000009488642	569539958	/nfs/dbraw/zinc/53/99/58/569539958.db2.gz	JDLUBAPAJFFQFJ-QNLHBCBFSA-N	-1	0	426.516	1.547	50	30		IDEARM
COc1ccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000013817542	524018160	/nfs/dbraw/zinc/01/81/60/524018160.db2.gz	VYZNWSCIJXVDMZ-NOJWBWKLSA-N	-1	0	426.516	1.547	50	30		IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)ccc3C2=O)c1	ZINC000012883139	525768421	/nfs/dbraw/zinc/76/84/21/525768421.db2.gz	XQULUMHMUYSFDM-SWPSSXATSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1	ZINC000009187441	527613645	/nfs/dbraw/zinc/61/36/45/527613645.db2.gz	FUOMPEZBEMAZBI-BFESSNOMSA-N	-1	0	432.907	1.038	50	30		IDEARM
C#CCOc1c(I)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCC	ZINC000002970745	557134418	/nfs/dbraw/zinc/13/44/18/557134418.db2.gz	WCKKLJHPQIRFFQ-UHFFFAOYSA-N	-1	0	440.193	1.451	50	30		IDEARM
CC(=O)Nc1nc(NC(C)=O)nc(NC(=O)N=S(=O)([O-])c2ccccc2Cl)n1	ZINC000026952167	557252194	/nfs/dbraw/zinc/25/21/94/557252194.db2.gz	MZPGJLZRVHYSSW-UHFFFAOYSA-N	-1	0	427.830	1.157	50	30		IDEARM
COc1ccc(CCN2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000101259350	557264997	/nfs/dbraw/zinc/26/49/97/557264997.db2.gz	BDHNMUGIIQKEOJ-PSEQUABUSA-N	-1	0	426.516	1.200	50	30		IDEARM
COc1ccc(CCN2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000101259346	557265031	/nfs/dbraw/zinc/26/50/31/557265031.db2.gz	BDHNMUGIIQKEOJ-FXDIGPMBSA-N	-1	0	426.516	1.200	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2	ZINC000103729844	557440909	/nfs/dbraw/zinc/44/09/09/557440909.db2.gz	JYZYYGUCDGBFJQ-TWPXGBDXSA-N	-1	0	440.499	1.314	50	30		IDEARM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@]2(O)C(=O)OC)cc1	ZINC000001085818	568657520	/nfs/dbraw/zinc/65/75/20/568657520.db2.gz	VDJASVNLMIFWGH-JOCHJYFZSA-N	-1	0	425.393	1.767	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2	ZINC000016741001	569160823	/nfs/dbraw/zinc/16/08/23/569160823.db2.gz	JYZYYGUCDGBFJQ-SUUAPBBVSA-N	-1	0	440.499	1.314	50	30		IDEARM
CCOC(=O)C(C#N)=NNc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1	ZINC000252462864	569184821	/nfs/dbraw/zinc/18/48/21/569184821.db2.gz	WVYIDARGXWIZKM-UHFFFAOYSA-N	-1	0	434.434	1.149	50	30		IDEARM
NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccccc2C(=O)N2CCOCC2)c1=O	ZINC000252462472	569184829	/nfs/dbraw/zinc/18/48/29/569184829.db2.gz	SOCIZXRHMPELIZ-UHFFFAOYSA-N	-1	0	436.497	1.417	50	30		IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC	ZINC000009348113	569524388	/nfs/dbraw/zinc/52/43/88/569524388.db2.gz	QKSFSFXEPGTZJU-KFTHWLFJSA-N	-1	0	442.515	1.560	50	30		IDEARM
CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009487742	569539742	/nfs/dbraw/zinc/53/97/42/569539742.db2.gz	JJEVRHORUMNGOE-SBOQUQFBSA-N	-1	0	439.559	1.999	50	30		IDEARM
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000039888749	518972933	/nfs/dbraw/zinc/97/29/33/518972933.db2.gz	FZNCOOMWJPLXAV-OAHLLOKOSA-N	-1	0	428.401	1.258	50	30		IDEARM
CNC(=O)c1ccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccccc3Cl)N=C2[O-])cc1	ZINC000071284860	521838437	/nfs/dbraw/zinc/83/84/37/521838437.db2.gz	VMLIYLJAHRWZFP-IMQYADFFSA-N	-1	0	426.864	1.506	50	30		IDEARM
COC(=O)c1ccccc1NC(=O)C[C@@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-]	ZINC000071283093	522275432	/nfs/dbraw/zinc/27/54/32/522275432.db2.gz	IKDKORSJCKLATI-RSFOSLOZSA-N	-1	0	427.848	1.933	50	30		IDEARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000022021350	522451195	/nfs/dbraw/zinc/45/11/95/522451195.db2.gz	ZZBJMLDDPXVTSC-UHFFFAOYSA-N	-1	0	443.528	1.806	50	30		IDEARM
CCn1c(=O)[nH]c(=O)c2c(C(=O)[N-]S(=O)(=O)c3c(C)noc3C)cc(C(C)C)nc21	ZINC000040153182	523091039	/nfs/dbraw/zinc/09/10/39/523091039.db2.gz	IWGZDLYFNPPTHK-UHFFFAOYSA-N	-1	0	435.462	1.526	50	30		IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)ccc3C2=O)cc1	ZINC000012882728	523424290	/nfs/dbraw/zinc/42/42/90/523424290.db2.gz	YSZJKTQRCNOGKF-BXBKELKXSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)ccc3C2=O)c1	ZINC000012883147	525769065	/nfs/dbraw/zinc/76/90/65/525769065.db2.gz	XQULUMHMUYSFDM-GIDXQBGWSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
NC(=O)CC[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)[O-]	ZINC000033553643	526875456	/nfs/dbraw/zinc/87/54/56/526875456.db2.gz	HIXCLYZMFJEMTD-SLVCOGOPSA-N	-1	0	430.438	1.578	50	30		IDEARM
Cn1cc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1C(N)=O	ZINC000040129942	527282513	/nfs/dbraw/zinc/28/25/13/527282513.db2.gz	DLPVGHAUAPVXSY-UHFFFAOYSA-N	-1	0	435.458	1.594	50	30		IDEARM
N=C(NN=Cc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O	ZINC000003014659	556155498	/nfs/dbraw/zinc/15/54/98/556155498.db2.gz	BFJZKGUURAWRPN-QPCOYWRUSA-N	-1	0	440.437	1.827	50	30		IDEARM
NC(=NN=Cc1ccc2c(c1)OCO2)Sc1cc(O)n(-c2cccc(C(=O)[O-])c2)c1O	ZINC000003012505	556155801	/nfs/dbraw/zinc/15/58/01/556155801.db2.gz	CYKAOIYHIOLQBW-QPCOYWRUSA-N	-1	0	440.437	1.827	50	30		IDEARM
Cc1nnc(C(=O)NC(C)(C)c2nc(/C([O-])=N/Cc3ccc(F)cc3)c(O)c(=O)n2C)o1	ZINC000013831130	556316996	/nfs/dbraw/zinc/31/69/96/556316996.db2.gz	CZFFBEXEKNGXKS-UHFFFAOYSA-N	-1	0	444.423	1.486	50	30	fda	IDEARM
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12c1ccccc1N(CC(=O)[O-])C2=O	ZINC000027023125	557255599	/nfs/dbraw/zinc/25/55/99/557255599.db2.gz	QGTXDQSNGCTFPI-QHCPKHFHSA-N	-1	0	440.452	1.762	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O	ZINC000101764758	557297897	/nfs/dbraw/zinc/29/78/97/557297897.db2.gz	SHLYJDIJMYQJLC-HNNXBMFYSA-N	-1	0	428.445	1.533	50	30		IDEARM
Cc1cc(=O)[n-]c(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C#N	ZINC000023673828	557371147	/nfs/dbraw/zinc/37/11/47/557371147.db2.gz	HCLHQGAOSGKYPJ-UHFFFAOYSA-N	-1	0	426.498	1.720	50	30		IDEARM
Cc1c(NN=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000252590330	569191723	/nfs/dbraw/zinc/19/17/23/569191723.db2.gz	ARORINKRLJYKNT-UHFFFAOYSA-N	-1	0	432.440	1.531	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCCO2	ZINC000011907329	569303258	/nfs/dbraw/zinc/30/32/58/569303258.db2.gz	JYZYYGUCDGBFJQ-ZSGLKTKSSA-N	-1	0	440.499	1.314	50	30		IDEARM
O=C([O-])COc1ccc(CN=Nc2nc(N3CCCCC3)nc(N3CCOCC3)n2)cc1	ZINC000008694786	569470121	/nfs/dbraw/zinc/47/01/21/569470121.db2.gz	FQGNBMMZVHUUEW-HYARGMPZSA-N	-1	0	441.492	1.608	50	30		IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)ccc3C2=O)c1	ZINC000008791135	569476172	/nfs/dbraw/zinc/47/61/72/569476172.db2.gz	XQULUMHMUYSFDM-APZMTDQGSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
CN(C)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000008997114	569495834	/nfs/dbraw/zinc/49/58/34/569495834.db2.gz	HWZDHWODRQMPTN-FXDIGPMBSA-N	-1	0	425.532	1.609	50	30		IDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1	ZINC000009290590	569519738	/nfs/dbraw/zinc/51/97/38/569519738.db2.gz	FAROFEPFIBSAFW-ZSPRGJAKSA-N	-1	0	447.332	1.915	50	30		IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC	ZINC000009293781	569520303	/nfs/dbraw/zinc/52/03/03/569520303.db2.gz	GKSYOPDGVJHWHC-AJORXLENSA-N	-1	0	428.488	1.170	50	30		IDEARM
C=CCOC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([O-])c([N+](=O)[O-])c1	ZINC000039888748	518972838	/nfs/dbraw/zinc/97/28/38/518972838.db2.gz	FZNCOOMWJPLXAV-HNNXBMFYSA-N	-1	0	428.401	1.258	50	30		IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc3C2=O)c1	ZINC000008791207	525767450	/nfs/dbraw/zinc/76/74/50/525767450.db2.gz	LPPVWOWMDWYMQC-PKXKBNNOSA-N	-1	0	440.408	1.135	50	30	biogenic	IDEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1	ZINC000009466895	526400591	/nfs/dbraw/zinc/40/05/91/526400591.db2.gz	BXYIWWXNAJPEHW-INIZCTEOSA-N	-1	0	449.510	1.506	50	30		IDEARM
CC(=O)Nc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)cc1	ZINC000096570038	557202987	/nfs/dbraw/zinc/20/29/87/557202987.db2.gz	DKVAABYUUJNZFZ-CJLVFECKSA-N	-1	0	425.430	1.811	50	30		IDEARM
COc1cccc(CN2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000102585331	557355699	/nfs/dbraw/zinc/35/56/99/557355699.db2.gz	COWITFFQWCTXCF-JSKCELRFSA-N	-1	0	426.516	1.547	50	30		IDEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21	ZINC000103047864	557416659	/nfs/dbraw/zinc/41/66/59/557416659.db2.gz	QWNLVFJAYZOLCD-ZQIUZPCESA-N	-1	0	436.807	1.835	50	30		IDEARM
COc1ccc(CCN2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000008686102	562962713	/nfs/dbraw/zinc/96/27/13/562962713.db2.gz	BDHNMUGIIQKEOJ-VVWDJWGFSA-N	-1	0	426.516	1.200	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H]3CSC[C@H]3O)C1=O)O2	ZINC000263586905	568759949	/nfs/dbraw/zinc/75/99/49/568759949.db2.gz	ZLCUAISAQVPXBL-KIEKVVTASA-N	-1	0	445.493	1.635	50	30	biogenic	IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2	ZINC000016741003	569160741	/nfs/dbraw/zinc/16/07/41/569160741.db2.gz	JYZYYGUCDGBFJQ-NFVGTTHASA-N	-1	0	440.499	1.314	50	30		IDEARM
CCOc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000016741103	569160770	/nfs/dbraw/zinc/16/07/70/569160770.db2.gz	RCLWSVRTJVJDSD-QNLHBCBFSA-N	-1	0	426.516	1.942	50	30		IDEARM
N#Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-n3cnnn3)c2)ccc1Br	ZINC000241738528	569203768	/nfs/dbraw/zinc/20/37/68/569203768.db2.gz	QYGXKHOLFKBNQW-UHFFFAOYSA-N	-1	0	433.247	1.415	50	30		IDEARM
CN(CC(=O)[N-]S(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)OC(C)(C)C	ZINC000253424783	569267104	/nfs/dbraw/zinc/26/71/04/569267104.db2.gz	KPTPQYFUMKTLID-UHFFFAOYSA-N	-1	0	432.296	1.993	50	30		IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	ZINC000009237018	569514207	/nfs/dbraw/zinc/51/42/07/569514207.db2.gz	OJIJMSMYZDCBJK-QWESTDSTSA-N	-1	0	442.515	1.560	50	30		IDEARM
COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCC(=O)[O-]	ZINC000009310229	569521722	/nfs/dbraw/zinc/52/17/22/569521722.db2.gz	WIKKPVCGWDBGLO-LPYMAVHISA-N	-1	0	441.492	1.990	50	30		IDEARM
CC(C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009451177	569536424	/nfs/dbraw/zinc/53/64/24/569536424.db2.gz	AMSOHEQSMXODTP-FXDIGPMBSA-N	-1	0	426.516	1.513	50	30		IDEARM
N#Cc1c(N2CCC[C@H](C(=O)[O-])C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C1CCCC1	ZINC000003295256	132263295	/nfs/dbraw/zinc/26/32/95/132263295.db2.gz	ROKDIRVAAZVJLR-NSHDSACASA-N	-1	0	435.488	1.799	50	30		IDEARM
COc1cc([C@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-]	ZINC000012867778	522967512	/nfs/dbraw/zinc/96/75/12/522967512.db2.gz	GQSSXLYPQGITGZ-MRXNPFEDSA-N	-1	0	441.440	1.736	50	30		IDEARM
COC(=O)CCNC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000253397959	523072366	/nfs/dbraw/zinc/07/23/66/523072366.db2.gz	BUDKZUASMUODEV-NCSHYYEOSA-N	-1	0	429.425	1.721	50	30	biogenic	IDEARM
COc1ccc(O)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCN3)c2)c1	ZINC000095462946	524759084	/nfs/dbraw/zinc/75/90/84/524759084.db2.gz	ZKONPTQHRRNLDC-UHFFFAOYSA-N	-1	0	425.488	1.672	50	30		IDEARM
N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000040267202	526474340	/nfs/dbraw/zinc/47/43/40/526474340.db2.gz	TYDYSNDOISDVDV-LIRRHRJNSA-N	-1	0	432.502	1.001	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1	ZINC000013554942	527574944	/nfs/dbraw/zinc/57/49/44/527574944.db2.gz	JUTZGAXGVOZWTM-FKQWUUPDSA-N	-1	0	428.507	1.720	50	30		IDEARM
CCOC(=O)C1CCN(c2nc(N)c3c(N)nc(SCC(=O)[O-])cc3c2C#N)CC1	ZINC000013135927	535605119	/nfs/dbraw/zinc/60/51/19/535605119.db2.gz	GREDNHREVCFGKQ-UHFFFAOYSA-N	-1	0	430.490	1.622	50	30		IDEARM
Cc1c(NN=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000100670414	556642627	/nfs/dbraw/zinc/64/26/27/556642627.db2.gz	ARORINKRLJYKNT-BWAHOGKJSA-N	-1	0	432.440	1.531	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3OC)C2)c(=O)[nH]c1=O	ZINC000101456152	557286741	/nfs/dbraw/zinc/28/67/41/557286741.db2.gz	OZOFYWYAJZUZHA-CQSZACIVSA-N	-1	0	444.444	1.152	50	30		IDEARM
COc1ccc(CCN2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000008686101	562962732	/nfs/dbraw/zinc/96/27/32/562962732.db2.gz	BDHNMUGIIQKEOJ-NOJWBWKLSA-N	-1	0	426.516	1.200	50	30		IDEARM
COc1ccc(Cc2nnc(NN=Cc3c(CO)cnc(C)c3O)[n-]c2=O)cc1OC	ZINC000027548629	569271430	/nfs/dbraw/zinc/27/14/30/569271430.db2.gz	HGYXNOSBGMJJPB-LSFURLLWSA-N	-1	0	426.433	1.533	50	30		IDEARM
O=C([N-]S(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O)c1ccc([N+](=O)[O-])cc1	ZINC000002314857	569272331	/nfs/dbraw/zinc/27/23/31/569272331.db2.gz	IELJLQNEIFSKMW-UHFFFAOYSA-N	-1	0	446.850	1.603	50	30		IDEARM
COc1ccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009123798	569504217	/nfs/dbraw/zinc/50/42/17/569504217.db2.gz	VYZNWSCIJXVDMZ-PSEQUABUSA-N	-1	0	426.516	1.547	50	30		IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC	ZINC000009293783	569520318	/nfs/dbraw/zinc/52/03/18/569520318.db2.gz	GKSYOPDGVJHWHC-UOXMJMQQSA-N	-1	0	428.488	1.170	50	30		IDEARM
COc1ccc(Cl)cc1N1C(=NC(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000009581062	569549129	/nfs/dbraw/zinc/54/91/29/569549129.db2.gz	ALXRTPJFCGKWDS-PWTBMBKCSA-N	-1	0	432.907	1.815	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3ncn(C)n3)C1=O)O2	ZINC000253396311	518242441	/nfs/dbraw/zinc/24/24/41/518242441.db2.gz	AZFPNDZDKGERPK-NCSHYYEOSA-N	-1	0	438.440	1.487	50	30	biogenic	IDEARM
COC(=O)c1ccc(/C=C2\Oc3c(ccc([O-])c3CN3CCN(CCO)CC3)C2=O)cc1	ZINC000022788155	521937681	/nfs/dbraw/zinc/93/76/81/521937681.db2.gz	IPHDWGRYDSJHGK-STZFKDTASA-N	-1	0	438.480	1.905	50	30	biogenic	IDEARM
COc1ccc(S(=O)(=O)N=C(N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000015721460	524996235	/nfs/dbraw/zinc/99/62/35/524996235.db2.gz	AYUPPTBECADHBL-AWEZNQCLSA-N	-1	0	444.510	1.046	50	30		IDEARM
O=C([N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(I)c1	ZINC000040150542	527160878	/nfs/dbraw/zinc/16/08/78/527160878.db2.gz	WCNFEUCQCWTVIS-SNVBAGLBSA-N	-1	0	429.257	1.113	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl	ZINC000013556012	527614348	/nfs/dbraw/zinc/61/43/48/527614348.db2.gz	FMOFFZDCCFYMKY-VHLXVWNNSA-N	-1	0	432.907	1.038	50	30		IDEARM
C=CCCOc1ccc(-c2nnc(CCC(=O)N3CCN(C)CC3)c(=O)[n-]2)cc1OC	ZINC000034767478	555907065	/nfs/dbraw/zinc/90/70/65/555907065.db2.gz	MTIIXFBGQYZXGQ-UHFFFAOYSA-N	-1	0	427.505	1.914	50	30		IDEARM
NC(=N[N+](=O)[O-])NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000015721288	556544940	/nfs/dbraw/zinc/54/49/40/556544940.db2.gz	RXMHIKWOZKQXCJ-SFHVURJKSA-N	-1	0	441.444	1.855	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3OC)C2)c(=O)[nH]c1=O	ZINC000101764761	568621159	/nfs/dbraw/zinc/62/11/59/568621159.db2.gz	SHLYJDIJMYQJLC-OAHLLOKOSA-N	-1	0	428.445	1.533	50	30		IDEARM
CCOc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000016741105	569160790	/nfs/dbraw/zinc/16/07/90/569160790.db2.gz	RCLWSVRTJVJDSD-NPWBBNBUSA-N	-1	0	426.516	1.942	50	30		IDEARM
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000253500120	569283415	/nfs/dbraw/zinc/28/34/15/569283415.db2.gz	WXAWNCDYPXVODT-WQDQUHCESA-N	-1	0	435.517	1.670	50	30	biogenic	IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N4C[C@@H](O)C[C@H]4C(=O)[O-])ccc3C2=O)cc1	ZINC000008790504	569476124	/nfs/dbraw/zinc/47/61/24/569476124.db2.gz	ZXFAGVPNRLZYRK-QZAZVHDXSA-N	-1	0	439.420	1.737	50	30	biogenic	IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1	ZINC000009045388	569498061	/nfs/dbraw/zinc/49/80/61/569498061.db2.gz	FUOMPEZBEMAZBI-VLCBPTRESA-N	-1	0	432.907	1.038	50	30		IDEARM
COc1ccc(C)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000009293659	569520273	/nfs/dbraw/zinc/52/02/73/569520273.db2.gz	XBLGMKQQHJMQNP-QWESTDSTSA-N	-1	0	426.516	1.860	50	30		IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	ZINC000009309751	569521627	/nfs/dbraw/zinc/52/16/27/569521627.db2.gz	HTZLAHMRHHGVJO-LROIWZQWSA-N	-1	0	432.907	1.815	50	30		IDEARM
COc1cccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000009488105	569539824	/nfs/dbraw/zinc/53/98/24/569539824.db2.gz	COWITFFQWCTXCF-PSEQUABUSA-N	-1	0	426.516	1.547	50	30		IDEARM
COc1ccccc1CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000009488646	569539943	/nfs/dbraw/zinc/53/99/43/569539943.db2.gz	JDLUBAPAJFFQFJ-NPWBBNBUSA-N	-1	0	426.516	1.547	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1	ZINC000009579518	569548530	/nfs/dbraw/zinc/54/85/30/569548530.db2.gz	XKCKSHGHSBFFOD-KCSHYBADSA-N	-1	0	436.870	1.182	50	30		IDEARM
CC(C)(C)OC(=O)N1CCN(CC(=O)NN=c2[n-]nc(-c3ccccc3)s2)C(=O)C1	ZINC000328592366	569583008	/nfs/dbraw/zinc/58/30/08/569583008.db2.gz	FJXKXNWKOFIWPH-UHFFFAOYSA-N	-1	0	432.506	2.568	50	30		IDEARM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C(=O)c1ccc(I)cc1	ZINC000040156571	521422697	/nfs/dbraw/zinc/42/26/97/521422697.db2.gz	SZQLWXAHNCSMMF-UHFFFAOYSA-N	-1	0	449.226	1.885	50	30		IDEARM
CNC(=O)c1cccc(NC(=O)C[C@H]2N=C(NN=Cc3ccccc3Cl)N=C2[O-])c1	ZINC000071286064	521896257	/nfs/dbraw/zinc/89/62/57/521896257.db2.gz	SRSWMGIQITXEDV-BRUSPLQXSA-N	-1	0	426.864	1.506	50	30		IDEARM
COc1cc([N+](=O)[O-])cc(/C=N/N(C)C2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1[O-]	ZINC000012414071	522972525	/nfs/dbraw/zinc/97/25/25/522972525.db2.gz	YLTITADVZXTJAB-CAOOACKPSA-N	-1	0	435.374	1.632	50	30		IDEARM
COc1ccc(C=NNC2=N[C@@H](CC(=O)Nc3ccc(F)c(F)c3)C([O-])=N2)cc1OC	ZINC000071279368	523444424	/nfs/dbraw/zinc/44/44/24/523444424.db2.gz	ZZOOVCASEJBPHW-MQEPLNOPSA-N	-1	0	431.399	1.789	50	30		IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@H](CC(N)=O)C(=O)[O-])ccc3C2=O)c1	ZINC000008995542	525768387	/nfs/dbraw/zinc/76/83/87/525768387.db2.gz	LPPVWOWMDWYMQC-SHZLZMIXSA-N	-1	0	440.408	1.135	50	30	biogenic	IDEARM
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000040267203	526475307	/nfs/dbraw/zinc/47/53/07/526475307.db2.gz	TYDYSNDOISDVDV-IFXJQAMLSA-N	-1	0	432.502	1.001	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3OC)C2)c(=O)[nH]c1=O	ZINC000101456150	557286589	/nfs/dbraw/zinc/28/65/89/557286589.db2.gz	OZOFYWYAJZUZHA-AWEZNQCLSA-N	-1	0	444.444	1.152	50	30		IDEARM
Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1[O-]	ZINC000019799792	557522669	/nfs/dbraw/zinc/52/26/69/557522669.db2.gz	SGIXTNMPGRWRRX-OAHLLOKOSA-N	-1	0	432.392	1.863	50	30		IDEARM
N#Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)c1	ZINC000065097558	569103793	/nfs/dbraw/zinc/10/37/93/569103793.db2.gz	RIFRSANUNAVIHQ-UHFFFAOYSA-N	-1	0	445.482	1.943	50	30		IDEARM
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@]12c1ccccc1N(CC(=O)[O-])C2=O	ZINC000027987828	569405323	/nfs/dbraw/zinc/40/53/23/569405323.db2.gz	NPEWQJQZLYARLN-QFIPXVFZSA-N	-1	0	426.425	1.372	50	30		IDEARM
N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000031773055	569457276	/nfs/dbraw/zinc/45/72/76/569457276.db2.gz	CVOJLBVPHIGZCX-INIZCTEOSA-N	-1	0	440.524	1.320	50	30		IDEARM
O=C([O-])CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1	ZINC000009290591	569519774	/nfs/dbraw/zinc/51/97/74/569519774.db2.gz	FAROFEPFIBSAFW-GHBQHLJCSA-N	-1	0	447.332	1.915	50	30		IDEARM
COc1ccc(C)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000009293656	569520269	/nfs/dbraw/zinc/52/02/69/569520269.db2.gz	XBLGMKQQHJMQNP-QNLHBCBFSA-N	-1	0	426.516	1.860	50	30		IDEARM
COc1ccc(C)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000009293658	569520270	/nfs/dbraw/zinc/52/02/70/569520270.db2.gz	XBLGMKQQHJMQNP-NPWBBNBUSA-N	-1	0	426.516	1.860	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl	ZINC000009486897	569539626	/nfs/dbraw/zinc/53/96/26/569539626.db2.gz	FMOFFZDCCFYMKY-YHCMSDNUSA-N	-1	0	432.907	1.038	50	30		IDEARM
CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009487746	569539781	/nfs/dbraw/zinc/53/97/81/569539781.db2.gz	JJEVRHORUMNGOE-WZHXCRBMSA-N	-1	0	439.559	1.999	50	30		IDEARM
CC(C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009580323	519836630	/nfs/dbraw/zinc/83/66/30/519836630.db2.gz	AMSOHEQSMXODTP-VVWDJWGFSA-N	-1	0	426.516	1.513	50	30		IDEARM
CCCC[C@H](C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1)N1CCCS1(=O)=O	ZINC000095455079	521123215	/nfs/dbraw/zinc/12/32/15/521123215.db2.gz	NFKGNPNYFBCEGI-CQSZACIVSA-N	-1	0	435.593	1.902	50	30		IDEARM
O=C1[N-]C(=S)NC(=O)C1=NNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000002546188	555786908	/nfs/dbraw/zinc/78/69/08/555786908.db2.gz	DYMRQWPYFCBFCH-UHFFFAOYSA-N	-1	0	429.483	1.577	50	30		IDEARM
CCOC(=O)C(C#N)=N[N-]c1c(S(=O)(=O)Cc2ccco2)csc1C(=O)OC	ZINC000003083104	555884898	/nfs/dbraw/zinc/88/48/98/555884898.db2.gz	PJNTXSMRHSCSPA-WOJGMQOQSA-N	-1	0	425.444	1.956	50	30		IDEARM
CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@]2(O)C(=O)OC)cc1	ZINC000001085819	568657512	/nfs/dbraw/zinc/65/75/12/568657512.db2.gz	VDJASVNLMIFWGH-QFIPXVFZSA-N	-1	0	425.393	1.767	50	30		IDEARM
COc1ccc([N+](=O)[O-])cc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(C(N)=S)c1=O	ZINC000002133289	569185107	/nfs/dbraw/zinc/18/51/07/569185107.db2.gz	YILDYNVPHPZFQI-HKWRFOASSA-N	-1	0	443.401	1.770	50	30		IDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000253500119	569283407	/nfs/dbraw/zinc/28/34/07/569283407.db2.gz	WXAWNCDYPXVODT-HNFXJVHYSA-N	-1	0	435.517	1.670	50	30	biogenic	IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2	ZINC000009237272	569514203	/nfs/dbraw/zinc/51/42/03/569514203.db2.gz	LXMDAINMXWRSPQ-NFVGTTHASA-N	-1	0	440.499	1.267	50	30		IDEARM
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009291864	569519868	/nfs/dbraw/zinc/51/98/68/569519868.db2.gz	RTKAOJZNTVZDBD-PSEQUABUSA-N	-1	0	426.516	1.942	50	30		IDEARM
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009291863	569519849	/nfs/dbraw/zinc/51/98/49/569519849.db2.gz	RTKAOJZNTVZDBD-FXDIGPMBSA-N	-1	0	426.516	1.942	50	30		IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl	ZINC000009309750	569521673	/nfs/dbraw/zinc/52/16/73/569521673.db2.gz	HTZLAHMRHHGVJO-PWTBMBKCSA-N	-1	0	432.907	1.815	50	30		IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC	ZINC000009348108	569524390	/nfs/dbraw/zinc/52/43/90/569524390.db2.gz	QKSFSFXEPGTZJU-NFVGTTHASA-N	-1	0	442.515	1.560	50	30		IDEARM
CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009580680	569548798	/nfs/dbraw/zinc/54/87/98/569548798.db2.gz	JJEVRHORUMNGOE-HCKAZOGZSA-N	-1	0	439.559	1.999	50	30		IDEARM
N#Cc1c(N2CCC[C@@H](C(=O)[O-])C2)nc(N)c2c(N)nc3c(c12)CC(=O)N3C1CCCC1	ZINC000003295253	132263322	/nfs/dbraw/zinc/26/33/22/132263322.db2.gz	ROKDIRVAAZVJLR-LLVKDONJSA-N	-1	0	435.488	1.799	50	30		IDEARM
CCCC[C@@H](C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1)N1CCCS1(=O)=O	ZINC000095455078	520980693	/nfs/dbraw/zinc/98/06/93/520980693.db2.gz	NFKGNPNYFBCEGI-AWEZNQCLSA-N	-1	0	435.593	1.902	50	30		IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)O)ccc3C2=O)cc1	ZINC000012881038	523425892	/nfs/dbraw/zinc/42/58/92/523425892.db2.gz	YSZJKTQRCNOGKF-GIDXQBGWSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
COc1ccc(C=NNC2=N[C@H](CC(=O)Nc3c(F)cccc3F)C([O-])=N2)cc1OC	ZINC000071284714	523444493	/nfs/dbraw/zinc/44/44/93/523444493.db2.gz	ZXDFXUKBZDBHPL-LOLZCCBGSA-N	-1	0	431.399	1.789	50	30		IDEARM
COc1ccc(C=NNC2=N[C@@H](CC(=O)Nc3c(F)cccc3F)C([O-])=N2)cc1OC	ZINC000071284715	523444957	/nfs/dbraw/zinc/44/49/57/523444957.db2.gz	ZXDFXUKBZDBHPL-WUJFOHIQSA-N	-1	0	431.399	1.789	50	30		IDEARM
Cc1ccc(S(=O)(=O)N=C(N)NCCC[C@@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C)cc1	ZINC000015721463	525480290	/nfs/dbraw/zinc/48/02/90/525480290.db2.gz	OTYPUFUDTDVBRU-HNNXBMFYSA-N	-1	0	442.538	1.688	50	30		IDEARM
CCOC(=O)C(C#N)=NNc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1	ZINC000002134136	555746886	/nfs/dbraw/zinc/74/68/86/555746886.db2.gz	WVYIDARGXWIZKM-LPYMAVHISA-N	-1	0	434.434	1.149	50	30		IDEARM
COc1cc(/C=C2/Oc3cc(OCC(=O)NCC(=O)[O-])ccc3C2=O)cc(OC)c1OC	ZINC000008876779	556230296	/nfs/dbraw/zinc/23/02/96/556230296.db2.gz	UCPPRJILLBXGDE-OMCISZLKSA-N	-1	0	443.408	1.908	50	30	biogenic	IDEARM
COc1ccc(OC)c(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000011907290	556671876	/nfs/dbraw/zinc/67/18/76/556671876.db2.gz	XLYPMEZEIRYZNL-QWESTDSTSA-N	-1	0	442.515	1.560	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101455725	557285931	/nfs/dbraw/zinc/28/59/31/557285931.db2.gz	JCCSIAGNKJJXLW-AWEZNQCLSA-N	-1	0	444.444	1.152	50	30		IDEARM
C=CCn1c(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2[n-]c1=S	ZINC000009508706	562972557	/nfs/dbraw/zinc/97/25/57/562972557.db2.gz	JNCCBOTXYVGFHN-UHFFFAOYSA-N	-1	0	444.538	1.865	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3nc(N)n[nH]3)C1=O)O2	ZINC000253413634	569265977	/nfs/dbraw/zinc/26/59/77/569265977.db2.gz	VGUAKSIQOXPFLO-LNYGYFNRSA-N	-1	0	439.428	1.059	50	30	biogenic	IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N4C[C@H](O)C[C@H]4C(=O)[O-])ccc3C2=O)c1	ZINC000008790579	569476081	/nfs/dbraw/zinc/47/60/81/569476081.db2.gz	UYFWMFUZOVXVQT-OKNPOSPGSA-N	-1	0	439.420	1.737	50	30	biogenic	IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	ZINC000009237014	569514227	/nfs/dbraw/zinc/51/42/27/569514227.db2.gz	OJIJMSMYZDCBJK-WANPKNOUSA-N	-1	0	442.515	1.560	50	30		IDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1	ZINC000009290592	569519768	/nfs/dbraw/zinc/51/97/68/569519768.db2.gz	FAROFEPFIBSAFW-XURMGJQESA-N	-1	0	447.332	1.915	50	30		IDEARM
COc1ccc(C)cc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000009293657	569520266	/nfs/dbraw/zinc/52/02/66/569520266.db2.gz	XBLGMKQQHJMQNP-WANPKNOUSA-N	-1	0	426.516	1.860	50	30		IDEARM
COc1ccc(Cl)cc1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000009581066	569549140	/nfs/dbraw/zinc/54/91/40/569549140.db2.gz	ALXRTPJFCGKWDS-ZTUJZTNKSA-N	-1	0	432.907	1.815	50	30		IDEARM
CCOC(=O)c1[nH]cnc1[N-]N=C(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1	ZINC000008694876	521600456	/nfs/dbraw/zinc/60/04/56/521600456.db2.gz	XADVHERUHLRSBW-UHFFFAOYSA-N	-1	0	448.483	1.987	50	30		IDEARM
COc1ccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009123799	524017833	/nfs/dbraw/zinc/01/78/33/524017833.db2.gz	VYZNWSCIJXVDMZ-VVWDJWGFSA-N	-1	0	426.516	1.547	50	30		IDEARM
COc1ccc(OC)c(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000012276993	524843104	/nfs/dbraw/zinc/84/31/04/524843104.db2.gz	XLYPMEZEIRYZNL-XDLPEBSCSA-N	-1	0	442.515	1.560	50	30		IDEARM
Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1	ZINC000009466898	526426558	/nfs/dbraw/zinc/42/65/58/526426558.db2.gz	BXYIWWXNAJPEHW-MRXNPFEDSA-N	-1	0	449.510	1.506	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2	ZINC000009237276	527576672	/nfs/dbraw/zinc/57/66/72/527576672.db2.gz	LXMDAINMXWRSPQ-SUUAPBBVSA-N	-1	0	440.499	1.267	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl	ZINC000013556009	527613802	/nfs/dbraw/zinc/61/38/02/527613802.db2.gz	FMOFFZDCCFYMKY-VLCBPTRESA-N	-1	0	432.907	1.038	50	30		IDEARM
CC(=O)N(C)c1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)cc1	ZINC000004179665	555974173	/nfs/dbraw/zinc/97/41/73/555974173.db2.gz	VERJMCPVMCGAIU-XLNRJJMWSA-N	-1	0	439.457	1.836	50	30		IDEARM
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@]12c1ccccc1N(CC(=O)[O-])C2=O	ZINC000027023120	557255648	/nfs/dbraw/zinc/25/56/48/557255648.db2.gz	QGTXDQSNGCTFPI-HSZRJFAPSA-N	-1	0	440.452	1.762	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3cc(OC)ccc3OC)C2)c(=O)[nH]c1=O	ZINC000101764728	557297799	/nfs/dbraw/zinc/29/77/99/557297799.db2.gz	HAYRSEPXHVSYAG-HNNXBMFYSA-N	-1	0	428.445	1.533	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3cc(OC)ccc3OC)C2)c(=O)[nH]c1=O	ZINC000101764732	557297844	/nfs/dbraw/zinc/29/78/44/557297844.db2.gz	HAYRSEPXHVSYAG-OAHLLOKOSA-N	-1	0	428.445	1.533	50	30		IDEARM
COc1cccc(CN2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000102664060	557362285	/nfs/dbraw/zinc/36/22/85/557362285.db2.gz	COWITFFQWCTXCF-MNGLYYNBSA-N	-1	0	426.516	1.547	50	30		IDEARM
N#Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000031773052	569457297	/nfs/dbraw/zinc/45/72/97/569457297.db2.gz	CVOJLBVPHIGZCX-MRXNPFEDSA-N	-1	0	440.524	1.320	50	30		IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)ccc3C2=O)cc1	ZINC000008790324	569476069	/nfs/dbraw/zinc/47/60/69/569476069.db2.gz	YSZJKTQRCNOGKF-APZMTDQGSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N4C[C@@H](O)C[C@H]4C(=O)[O-])ccc3C2=O)c1	ZINC000008790584	569476109	/nfs/dbraw/zinc/47/61/09/569476109.db2.gz	UYFWMFUZOVXVQT-QZAZVHDXSA-N	-1	0	439.420	1.737	50	30	biogenic	IDEARM
CN(C)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000008997115	569495901	/nfs/dbraw/zinc/49/59/01/569495901.db2.gz	HWZDHWODRQMPTN-VVWDJWGFSA-N	-1	0	425.532	1.609	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1	ZINC000009045378	569498098	/nfs/dbraw/zinc/49/80/98/569498098.db2.gz	FUOMPEZBEMAZBI-VHLXVWNNSA-N	-1	0	432.907	1.038	50	30		IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	ZINC000009309753	569521626	/nfs/dbraw/zinc/52/16/26/569521626.db2.gz	HTZLAHMRHHGVJO-CMSRKXFBSA-N	-1	0	432.907	1.815	50	30		IDEARM
CCN(CC)c1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009487744	569539790	/nfs/dbraw/zinc/53/97/90/569539790.db2.gz	JJEVRHORUMNGOE-SFJAUFLASA-N	-1	0	439.559	1.999	50	30		IDEARM
COc1ccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009123797	524018153	/nfs/dbraw/zinc/01/81/53/524018153.db2.gz	VYZNWSCIJXVDMZ-FXDIGPMBSA-N	-1	0	426.516	1.547	50	30		IDEARM
COc1ccc(OC)c(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000012276994	524843965	/nfs/dbraw/zinc/84/39/65/524843965.db2.gz	XLYPMEZEIRYZNL-XFZROIIOSA-N	-1	0	442.515	1.560	50	30		IDEARM
COc1cccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000013556685	525926689	/nfs/dbraw/zinc/92/66/89/525926689.db2.gz	COWITFFQWCTXCF-VVWDJWGFSA-N	-1	0	426.516	1.547	50	30		IDEARM
N#CCOc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000040267201	526475344	/nfs/dbraw/zinc/47/53/44/526475344.db2.gz	TYDYSNDOISDVDV-AUUYWEPGSA-N	-1	0	432.502	1.001	50	30		IDEARM
COc1cc(OC)nc(NC(=O)N=S(=O)([O-])c2ncccc2OCC(F)(F)F)n1	ZINC000013831539	556316845	/nfs/dbraw/zinc/31/68/45/556316845.db2.gz	AIMMSOZBPYFASU-UHFFFAOYSA-N	-1	0	437.356	1.545	50	30	in-vitro	IDEARM
COc1ccc(S(=O)(=O)N/N=C(/C)c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)c(OC)c1	ZINC000019645842	556840248	/nfs/dbraw/zinc/84/02/48/556840248.db2.gz	JDZGWUGHVVOSRK-SNOGGGIRSA-N	-1	0	447.469	1.986	50	30		IDEARM
Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1[O-]	ZINC000019799794	557522703	/nfs/dbraw/zinc/52/27/03/557522703.db2.gz	SGIXTNMPGRWRRX-HNNXBMFYSA-N	-1	0	432.392	1.863	50	30		IDEARM
N#Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)cc1	ZINC000065097548	569103846	/nfs/dbraw/zinc/10/38/46/569103846.db2.gz	LBPITXGLEFAZOL-UHFFFAOYSA-N	-1	0	445.482	1.943	50	30		IDEARM
O=C(NCCC[NH2+]CCCNC(=O)C(=N[O-])c1ccccc1)C(=N[O-])c1ccccc1	ZINC000252461066	569184595	/nfs/dbraw/zinc/18/45/95/569184595.db2.gz	KHQOKRKRRYMRMU-UHFFFAOYSA-N	-1	0	425.489	1.346	50	30		IDEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c([O-])c1	ZINC000020309534	569359711	/nfs/dbraw/zinc/35/97/11/569359711.db2.gz	MHJVXZIIFXWDBI-FQEVSTJZSA-N	-1	0	439.468	1.706	50	30		IDEARM
COc1cc(-c2cc(C(=O)N3CCc4[n-]c(=O)c(C#N)cc4C3)[nH]n2)cc(OC)c1OC	ZINC000225683306	569407003	/nfs/dbraw/zinc/40/70/03/569407003.db2.gz	JNWCQCAPPKTXSD-UHFFFAOYSA-N	-1	0	435.440	1.861	50	30		IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N4C[C@H](O)C[C@H]4C(=O)[O-])ccc3C2=O)cc1	ZINC000008790502	569476078	/nfs/dbraw/zinc/47/60/78/569476078.db2.gz	ZXFAGVPNRLZYRK-OKNPOSPGSA-N	-1	0	439.420	1.737	50	30	biogenic	IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC	ZINC000009293782	569520292	/nfs/dbraw/zinc/52/02/92/569520292.db2.gz	GKSYOPDGVJHWHC-YPBRSNMLSA-N	-1	0	428.488	1.170	50	30		IDEARM
COc1ccc(OC)c(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	ZINC000100937136	518157594	/nfs/dbraw/zinc/15/75/94/518157594.db2.gz	XLYPMEZEIRYZNL-NIHJGPKUSA-N	-1	0	442.515	1.560	50	30		IDEARM
CCOC(=O)/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000013058340	520394433	/nfs/dbraw/zinc/39/44/33/520394433.db2.gz	GRCYEGSSMRUYTE-WJDWOHSUSA-N	-1	0	443.433	1.745	50	30		IDEARM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000012112413	520887631	/nfs/dbraw/zinc/88/76/31/520887631.db2.gz	NBBKOOFNZQMRHY-XLNRJJMWSA-N	-1	0	442.526	1.668	50	30		IDEARM
COc1cc([C@@H]2c3c(=O)[nH]c(=O)[nH]c3NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(=O)[O-]	ZINC000012867784	522934580	/nfs/dbraw/zinc/93/45/80/522934580.db2.gz	GQSSXLYPQGITGZ-INIZCTEOSA-N	-1	0	441.440	1.736	50	30		IDEARM
COc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC	ZINC000009348114	524381760	/nfs/dbraw/zinc/38/17/60/524381760.db2.gz	QKSFSFXEPGTZJU-ZSGLKTKSSA-N	-1	0	442.515	1.560	50	30		IDEARM
CC(=O)Nc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(C(N)=S)c2=O)cc1	ZINC000001953991	555726308	/nfs/dbraw/zinc/72/63/08/555726308.db2.gz	DKVAABYUUJNZFZ-JWGURIENSA-N	-1	0	425.430	1.811	50	30		IDEARM
NC(=S)N/N=C/c1cc(I)c([O-])c(I)c1	ZINC000013763967	556302194	/nfs/dbraw/zinc/30/21/94/556302194.db2.gz	URUZIJZUGSVSRZ-KGVSQERTSA-N	-1	0	447.039	1.769	50	30		IDEARM
COc1cccc(/C=C2/SC(=S)N(/C=C(\C(C)=O)C(=O)NCC(=O)[O-])C2=O)c1O	ZINC000017223227	556673939	/nfs/dbraw/zinc/67/39/39/556673939.db2.gz	OBGQGEXUEZREAX-ABHUBJDASA-N	-1	0	436.467	1.276	50	30		IDEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21	ZINC000221535541	556699950	/nfs/dbraw/zinc/69/99/50/556699950.db2.gz	QWNLVFJAYZOLCD-CPUCHLNUSA-N	-1	0	436.807	1.835	50	30		IDEARM
O=C(NCCC[NH2+]CCCNC(=O)/C(=N/[O-])c1ccccc1)/C(=N/[O-])c1ccccc1	ZINC000004664840	556861503	/nfs/dbraw/zinc/86/15/03/556861503.db2.gz	KHQOKRKRRYMRMU-VCNVVWDHSA-N	-1	0	425.489	1.346	50	30		IDEARM
CNC(=O)[C@H](C)NC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000263585264	568758881	/nfs/dbraw/zinc/75/88/81/568758881.db2.gz	GWKLBGJICWVQTP-AYGICIEISA-N	-1	0	428.441	1.293	50	30	biogenic	IDEARM
CCOc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000016741106	569160754	/nfs/dbraw/zinc/16/07/54/569160754.db2.gz	RCLWSVRTJVJDSD-QWESTDSTSA-N	-1	0	426.516	1.942	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2	ZINC000016741002	569160780	/nfs/dbraw/zinc/16/07/80/569160780.db2.gz	JYZYYGUCDGBFJQ-KFTHWLFJSA-N	-1	0	440.499	1.314	50	30		IDEARM
Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCc3[n-]c(=O)c(C#N)cc3C2)c1C	ZINC000225681778	569407017	/nfs/dbraw/zinc/40/70/17/569407017.db2.gz	PYMTYJJIQKYAQW-UHFFFAOYSA-N	-1	0	442.541	1.734	50	30		IDEARM
CN(C)c1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000008994791	569495546	/nfs/dbraw/zinc/49/55/46/569495546.db2.gz	HWZDHWODRQMPTN-PSEQUABUSA-N	-1	0	425.532	1.609	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1	ZINC000009579515	569548521	/nfs/dbraw/zinc/54/85/21/569548521.db2.gz	XKCKSHGHSBFFOD-ZJVHTTKQSA-N	-1	0	436.870	1.182	50	30		IDEARM
CNC(=O)c1cccc(NC(=O)C[C@@H]2N=C(NN=Cc3ccccc3Cl)N=C2[O-])c1	ZINC000071286065	521894983	/nfs/dbraw/zinc/89/49/83/521894983.db2.gz	SRSWMGIQITXEDV-IMQYADFFSA-N	-1	0	426.864	1.506	50	30		IDEARM
COC(=O)c1ccccc1NC(=O)C[C@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-]	ZINC000071283092	522274786	/nfs/dbraw/zinc/27/47/86/522274786.db2.gz	IKDKORSJCKLATI-CNPYVQQSSA-N	-1	0	427.848	1.933	50	30		IDEARM
COc1cccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)O)ccc3C2=O)c1	ZINC000012885695	525768885	/nfs/dbraw/zinc/76/88/85/525768885.db2.gz	XQULUMHMUYSFDM-BXBKELKXSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
COc1cccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000013556682	525926958	/nfs/dbraw/zinc/92/69/58/525926958.db2.gz	COWITFFQWCTXCF-NOJWBWKLSA-N	-1	0	426.516	1.547	50	30		IDEARM
O=C([N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1)c1cccc(I)c1	ZINC000040150543	527161446	/nfs/dbraw/zinc/16/14/46/527161446.db2.gz	WCNFEUCQCWTVIS-JTQLQIEISA-N	-1	0	429.257	1.113	50	30		IDEARM
O=C(C[C@H]1N=C(NN=Cc2ccccc2Cl)N=C1[O-])Nc1ccc2c(c1)OCCO2	ZINC000071281970	527181492	/nfs/dbraw/zinc/18/14/92/527181492.db2.gz	PGZDFQLTFCEWIU-XHADFYDMSA-N	-1	0	427.848	1.918	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101455990	557286252	/nfs/dbraw/zinc/28/62/52/557286252.db2.gz	HWFYJZREGDGCQX-AWEZNQCLSA-N	-1	0	433.262	1.888	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H]3CSC[C@@H]3O)C1=O)O2	ZINC000263586906	568759941	/nfs/dbraw/zinc/75/99/41/568759941.db2.gz	ZLCUAISAQVPXBL-MNSWIZTASA-N	-1	0	445.493	1.635	50	30	biogenic	IDEARM
CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C#N)s1	ZINC000239654173	569139721	/nfs/dbraw/zinc/13/97/21/569139721.db2.gz	BMUJEMGXXJZNMG-UHFFFAOYSA-N	-1	0	434.952	1.951	50	30		IDEARM
CCOc1ccccc1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000016741104	569160749	/nfs/dbraw/zinc/16/07/49/569160749.db2.gz	RCLWSVRTJVJDSD-WANPKNOUSA-N	-1	0	426.516	1.942	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCOCCO)C1=O)O2	ZINC000253412744	569265881	/nfs/dbraw/zinc/26/58/81/569265881.db2.gz	RWSXYEFZKRKYSB-QMUTUGEISA-N	-1	0	431.441	1.167	50	30	biogenic	IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2	ZINC000009237279	569514180	/nfs/dbraw/zinc/51/41/80/569514180.db2.gz	LXMDAINMXWRSPQ-KFTHWLFJSA-N	-1	0	440.499	1.267	50	30		IDEARM
COc1ccc(CCN2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009242979	569514765	/nfs/dbraw/zinc/51/47/65/569514765.db2.gz	JQUCSJTXJNTFBZ-SBOQUQFBSA-N	-1	0	440.543	1.590	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1	ZINC000009446677	569535915	/nfs/dbraw/zinc/53/59/15/569535915.db2.gz	XKCKSHGHSBFFOD-YOSPKHMWSA-N	-1	0	436.870	1.182	50	30		IDEARM
COc1ccccc1CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000009488644	569539978	/nfs/dbraw/zinc/53/99/78/569539978.db2.gz	JDLUBAPAJFFQFJ-WANPKNOUSA-N	-1	0	426.516	1.547	50	30		IDEARM
CCCCCCCCCCSC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000050875497	520023763	/nfs/dbraw/zinc/02/37/63/520023763.db2.gz	XAAOGZMKEJNHLW-CVEARBPZSA-N	-1	0	447.598	1.738	50	30		IDEARM
CNC(=O)c1ccc(NC(=O)C[C@H]2N=C(NN=Cc3ccccc3Cl)N=C2[O-])cc1	ZINC000071284859	521838947	/nfs/dbraw/zinc/83/89/47/521838947.db2.gz	VMLIYLJAHRWZFP-BRUSPLQXSA-N	-1	0	426.864	1.506	50	30		IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)O)ccc3C2=O)cc1	ZINC000012881033	523424071	/nfs/dbraw/zinc/42/40/71/523424071.db2.gz	YSZJKTQRCNOGKF-SWPSSXATSA-N	-1	0	427.409	1.640	50	30	biogenic	IDEARM
COc1ccc(C=NNC2=N[C@H](CC(=O)Nc3ccc(F)c(F)c3)C([O-])=N2)cc1OC	ZINC000071279367	523444097	/nfs/dbraw/zinc/44/40/97/523444097.db2.gz	ZZOOVCASEJBPHW-GQLBNTDBSA-N	-1	0	431.399	1.789	50	30		IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl	ZINC000009309752	524380449	/nfs/dbraw/zinc/38/04/49/524380449.db2.gz	HTZLAHMRHHGVJO-ZTUJZTNKSA-N	-1	0	432.907	1.815	50	30		IDEARM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=C/C(=N\OCC(=O)[O-])CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	ZINC000252695240	525355412	/nfs/dbraw/zinc/35/54/12/525355412.db2.gz	WXAWNCDYPXVODT-YAGRQZSSSA-N	-1	0	435.517	1.670	50	30	biogenic	IDEARM
CCCCCCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000008234409	556153900	/nfs/dbraw/zinc/15/39/00/556153900.db2.gz	XAAOGZMKEJNHLW-HOTGVXAUSA-N	-1	0	447.598	1.738	50	30	in-vitro	IDEARM
COc1ccc(CCN2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000013814107	556313757	/nfs/dbraw/zinc/31/37/57/556313757.db2.gz	JQUCSJTXJNTFBZ-WZHXCRBMSA-N	-1	0	440.543	1.590	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c(=O)[nH]c1=O	ZINC000101455727	557286399	/nfs/dbraw/zinc/28/63/99/557286399.db2.gz	JCCSIAGNKJJXLW-CQSZACIVSA-N	-1	0	444.444	1.152	50	30		IDEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21	ZINC000103047870	557416618	/nfs/dbraw/zinc/41/66/18/557416618.db2.gz	QWNLVFJAYZOLCD-KEYYUXOJSA-N	-1	0	436.807	1.835	50	30		IDEARM
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C(=O)NC1=S	ZINC000002995803	557670085	/nfs/dbraw/zinc/67/00/85/557670085.db2.gz	NQJDKGYSYUUXBC-UXBLZVDNSA-N	-1	0	425.260	1.725	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CSC[C@@H]3O)C1=O)O2	ZINC000263586908	568759924	/nfs/dbraw/zinc/75/99/24/568759924.db2.gz	ZLCUAISAQVPXBL-ZAKRHGSWSA-N	-1	0	445.493	1.635	50	30	biogenic	IDEARM
C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000002058182	568834426	/nfs/dbraw/zinc/83/44/26/568834426.db2.gz	NHLNHUGPIGAULS-UHFFFAOYSA-N	-1	0	428.182	1.614	50	30		IDEARM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cc(I)c(OC)c(OC)c2)C1=O	ZINC000033550670	568866606	/nfs/dbraw/zinc/86/66/06/568866606.db2.gz	VERVHWBOUGAPIA-POHAHGRESA-N	-1	0	442.209	1.956	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NC(C)C)C1=O)O2	ZINC000253412294	569265884	/nfs/dbraw/zinc/26/58/84/569265884.db2.gz	QNHNAUJPPVXKMR-LJJIPZOBSA-N	-1	0	442.468	1.683	50	30	biogenic	IDEARM
CC(=O)NCCNC(C)=C1C(=O)C=C2Oc3c(c([O-])c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000253413105	569265950	/nfs/dbraw/zinc/26/59/50/569265950.db2.gz	TUIOGMCZDFUPAG-NCSHYYEOSA-N	-1	0	428.441	1.294	50	30	biogenic	IDEARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000095460446	569369633	/nfs/dbraw/zinc/36/96/33/569369633.db2.gz	DOQGZYAZUKFZSK-UHFFFAOYSA-N	-1	0	445.482	1.958	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1	ZINC000009045384	569498093	/nfs/dbraw/zinc/49/80/93/569498093.db2.gz	FUOMPEZBEMAZBI-YHCMSDNUSA-N	-1	0	432.907	1.038	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2	ZINC000009237281	569514186	/nfs/dbraw/zinc/51/41/86/569514186.db2.gz	LXMDAINMXWRSPQ-ZSGLKTKSSA-N	-1	0	440.499	1.267	50	30		IDEARM
O=C([O-])CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1	ZINC000009290593	569519782	/nfs/dbraw/zinc/51/97/82/569519782.db2.gz	FAROFEPFIBSAFW-GXWWUJSJSA-N	-1	0	447.332	1.915	50	30		IDEARM
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009291865	569519907	/nfs/dbraw/zinc/51/99/07/569519907.db2.gz	RTKAOJZNTVZDBD-NOJWBWKLSA-N	-1	0	426.516	1.942	50	30		IDEARM
COc1ccc(N2C(=NC(=O)CCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC	ZINC000009293784	569520271	/nfs/dbraw/zinc/52/02/71/569520271.db2.gz	GKSYOPDGVJHWHC-FCXKHPDRSA-N	-1	0	428.488	1.170	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1	ZINC000009449380	569536254	/nfs/dbraw/zinc/53/62/54/569536254.db2.gz	JUTZGAXGVOZWTM-TUPYQCFKSA-N	-1	0	428.507	1.720	50	30		IDEARM
CC(C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009451179	569536407	/nfs/dbraw/zinc/53/64/07/569536407.db2.gz	AMSOHEQSMXODTP-PSEQUABUSA-N	-1	0	426.516	1.513	50	30		IDEARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)cc1	ZINC000077196575	518477673	/nfs/dbraw/zinc/47/76/73/518477673.db2.gz	KYHZPOLYBPFTIA-UHFFFAOYSA-N	-1	0	430.402	1.634	50	30		IDEARM
CC(C)c1ccc(N2/C(=N/C(=O)COCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	ZINC000009580321	519836651	/nfs/dbraw/zinc/83/66/51/519836651.db2.gz	AMSOHEQSMXODTP-NOJWBWKLSA-N	-1	0	426.516	1.513	50	30		IDEARM
CCCCCCCCCCSC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000050875496	520023792	/nfs/dbraw/zinc/02/37/92/520023792.db2.gz	XAAOGZMKEJNHLW-JKSUJKDBSA-N	-1	0	447.598	1.738	50	30		IDEARM
CCCCCCCCCCSC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000050875498	520023800	/nfs/dbraw/zinc/02/38/00/520023800.db2.gz	XAAOGZMKEJNHLW-HZPDHXFCSA-N	-1	0	447.598	1.738	50	30		IDEARM
COc1ccc(OC)c(N2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000100937133	524843810	/nfs/dbraw/zinc/84/38/10/524843810.db2.gz	XLYPMEZEIRYZNL-PTIJJCGTSA-N	-1	0	442.515	1.560	50	30		IDEARM
C[C@@H](O)[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)C(=O)[O-]	ZINC000008790425	525848960	/nfs/dbraw/zinc/84/89/60/525848960.db2.gz	VCHRWBRFSAXBJT-JXLQBGCMSA-N	-1	0	441.392	1.361	50	30	biogenic	IDEARM
COc1cccc(CN2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000013556679	525927131	/nfs/dbraw/zinc/92/71/31/525927131.db2.gz	COWITFFQWCTXCF-FXDIGPMBSA-N	-1	0	426.516	1.547	50	30		IDEARM
NC(=O)CC[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)[O-]	ZINC000013556729	526876333	/nfs/dbraw/zinc/87/63/33/526876333.db2.gz	HIXCLYZMFJEMTD-CIKBWMHTSA-N	-1	0	430.438	1.578	50	30		IDEARM
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	ZINC000034144486	556571533	/nfs/dbraw/zinc/57/15/33/556571533.db2.gz	WXAWNCDYPXVODT-ZAKIEOBNSA-N	-1	0	435.517	1.670	50	30		IDEARM
NC(=S)n1[n-]c(-c2ccccc2)c(N=Nc2ccccc2C(=O)N2CCOCC2)c1=O	ZINC000100005971	557236914	/nfs/dbraw/zinc/23/69/14/557236914.db2.gz	SOCIZXRHMPELIZ-HKOYGPOVSA-N	-1	0	436.497	1.417	50	30		IDEARM
C=CCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101455992	557286165	/nfs/dbraw/zinc/28/61/65/557286165.db2.gz	HWFYJZREGDGCQX-CQSZACIVSA-N	-1	0	433.262	1.888	50	30		IDEARM
Cc1ccc(S(=O)(=O)[N-]C(=O)NC(=O)N(C)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000002454951	562927856	/nfs/dbraw/zinc/92/78/56/562927856.db2.gz	KWZTZVISLZSOAX-UHFFFAOYSA-N	-1	0	425.488	1.936	50	30		IDEARM
Cn1c2nc(N3CCCCC3)n(CCN=Nc3ccc(C(=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000009144923	562967825	/nfs/dbraw/zinc/96/78/25/562967825.db2.gz	LUUFZAGRLVKNHC-ZVBGSRNCSA-N	-1	0	425.449	1.210	50	30		IDEARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCNS(=O)(=O)c2ccccc2F)cc1	ZINC000084796806	568801416	/nfs/dbraw/zinc/80/14/16/568801416.db2.gz	IGOMSFVLEPHILA-UHFFFAOYSA-N	-1	0	443.478	1.798	50	30		IDEARM
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21	ZINC000195808358	569205829	/nfs/dbraw/zinc/20/58/29/569205829.db2.gz	QWNLVFJAYZOLCD-VBQJREDUSA-N	-1	0	436.807	1.835	50	30		IDEARM
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c([O-])c1	ZINC000020309531	569359824	/nfs/dbraw/zinc/35/98/24/569359824.db2.gz	MHJVXZIIFXWDBI-HXUWFJFHSA-N	-1	0	439.468	1.706	50	30		IDEARM
CCOc1ccc(N2/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009291866	569519909	/nfs/dbraw/zinc/51/99/09/569519909.db2.gz	RTKAOJZNTVZDBD-VVWDJWGFSA-N	-1	0	426.516	1.942	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1	ZINC000009449381	569536240	/nfs/dbraw/zinc/53/62/40/569536240.db2.gz	JUTZGAXGVOZWTM-PLGXQAJASA-N	-1	0	428.507	1.720	50	30		IDEARM
CCOC(=O)/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O	ZINC000096792865	520392950	/nfs/dbraw/zinc/39/29/50/520392950.db2.gz	GRCYEGSSMRUYTE-LFIBNONCSA-N	-1	0	443.433	1.745	50	30		IDEARM
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)NCC(=O)[O-])ccc2C1=O	ZINC000012884109	522818666	/nfs/dbraw/zinc/81/86/66/522818666.db2.gz	NMRDGHFDIAJCEA-GXHLCREISA-N	-1	0	443.408	1.908	50	30	biogenic	IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)NCC(=O)[O-])ccc3C2=O)c(OC)c1OC	ZINC000012885456	523425250	/nfs/dbraw/zinc/42/52/50/523425250.db2.gz	HPSATAHJSYKITH-IUXPMGMMSA-N	-1	0	443.408	1.908	50	30	biogenic	IDEARM
COc1ccccc1CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000009488648	524444746	/nfs/dbraw/zinc/44/47/46/524444746.db2.gz	JDLUBAPAJFFQFJ-QWESTDSTSA-N	-1	0	426.516	1.547	50	30		IDEARM
C[C@H](O)[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O)C(=O)[O-]	ZINC000012883352	525830655	/nfs/dbraw/zinc/83/06/55/525830655.db2.gz	VCHRWBRFSAXBJT-NZLZXOSCSA-N	-1	0	441.392	1.361	50	30	biogenic	IDEARM
N#CCOc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c2c1	ZINC000040267200	526475296	/nfs/dbraw/zinc/47/52/96/526475296.db2.gz	TYDYSNDOISDVDV-KUHUBIRLSA-N	-1	0	432.502	1.001	50	30		IDEARM
Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)c(=O)n(C)c1=O	ZINC000065453170	527290093	/nfs/dbraw/zinc/29/00/93/527290093.db2.gz	MWTYWHQBYOCRCL-UHFFFAOYSA-N	-1	0	448.448	1.909	50	30		IDEARM
Cc1c(NN=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C	ZINC000002186680	555755513	/nfs/dbraw/zinc/75/55/13/555755513.db2.gz	ARORINKRLJYKNT-XIEYBQDHSA-N	-1	0	432.440	1.735	50	30		IDEARM
COc1cccc(CN2/C(=N\C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000102585325	557355832	/nfs/dbraw/zinc/35/58/32/557355832.db2.gz	COWITFFQWCTXCF-YPWSZFOLSA-N	-1	0	426.516	1.547	50	30		IDEARM
COc1cccc(CN2/C(=N\C(=O)CCCC(=O)[O-])S[C@@H]3CS(=O)(=O)C[C@H]32)c1	ZINC000102664058	557362276	/nfs/dbraw/zinc/36/22/76/557362276.db2.gz	COWITFFQWCTXCF-RHDHSSKXSA-N	-1	0	426.516	1.547	50	30		IDEARM
CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2cccc(C#N)c2)c1	ZINC000225855993	557785776	/nfs/dbraw/zinc/78/57/76/557785776.db2.gz	MLUXPVJILSLOBP-UHFFFAOYSA-N	-1	0	427.891	1.581	50	30		IDEARM
N#Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1-c1ccco1	ZINC000010059438	562978339	/nfs/dbraw/zinc/97/83/39/562978339.db2.gz	SRNMOECDFZCZBN-UHFFFAOYSA-N	-1	0	431.455	1.692	50	30		IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CSC[C@H]3O)C1=O)O2	ZINC000263586907	568759861	/nfs/dbraw/zinc/75/98/61/568759861.db2.gz	ZLCUAISAQVPXBL-VCDFPNKXSA-N	-1	0	445.493	1.635	50	30	biogenic	IDEARM
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCSCCO)C1=O)O2	ZINC000253414182	569266088	/nfs/dbraw/zinc/26/60/88/569266088.db2.gz	WRBPIYKXPAKWQO-QMUTUGEISA-N	-1	0	447.509	1.884	50	30	biogenic	IDEARM
C=CCn1c(=O)c2ccc(C(=O)N3CCCN(CC(=O)NC(C)C)CC3)cc2[n-]c1=S	ZINC000029022105	569424414	/nfs/dbraw/zinc/42/44/14/569424414.db2.gz	HZLVDKJYXLVGFB-UHFFFAOYSA-N	-1	0	443.573	1.544	50	30		IDEARM
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)([O-])=NC(=O)Nc1nc(Cl)cc(OC)n1	ZINC000004015288	569458116	/nfs/dbraw/zinc/45/81/16/569458116.db2.gz	QVSBTMBFSDEXRU-UHFFFAOYSA-N	-1	0	445.797	1.548	50	30		IDEARM
COc1ccc(/C=C2\Oc3cc(OCC(=O)N[C@@H](CO)C(=O)[O-])ccc3C2=O)c(OC)c1	ZINC000009059034	569499309	/nfs/dbraw/zinc/49/93/09/569499309.db2.gz	NHKXEGGEUASAKO-WXRNRBFESA-N	-1	0	443.408	1.261	50	30	biogenic	IDEARM
COc1ccc(CCN2/C(=N/C(=O)CCCC(=O)[O-])S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	ZINC000009242980	569514734	/nfs/dbraw/zinc/51/47/34/569514734.db2.gz	JQUCSJTXJNTFBZ-SFJAUFLASA-N	-1	0	440.543	1.590	50	30		IDEARM
O=C([O-])CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1	ZINC000009449375	569536173	/nfs/dbraw/zinc/53/61/73/569536173.db2.gz	JUTZGAXGVOZWTM-MMYRVIJDSA-N	-1	0	428.507	1.720	50	30		IDEARM
O=C([O-])COCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1	ZINC000009579516	569548508	/nfs/dbraw/zinc/54/85/08/569548508.db2.gz	XKCKSHGHSBFFOD-BCJLPTRNSA-N	-1	0	436.870	1.182	50	30		IDEARM
COc1ccc(Cl)cc1N1C(=NC(=O)CCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000009581068	569549138	/nfs/dbraw/zinc/54/91/38/569549138.db2.gz	ALXRTPJFCGKWDS-CMSRKXFBSA-N	-1	0	432.907	1.815	50	30		IDEARM