smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C1N=C(c2cscc2NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)NC(=O)C1=O	ZINC000003582325	562927264	/nfs/dbraw/zinc/92/72/64/562927264.db2.gz	YTELTTQMHNMWPW-UHFFFAOYSA-N	-2	0	470.872	2.066	1	0		JEAFRL
CN(CCCCSC[C@](O)(CC(=O)[O-])C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000013758222	562988943	/nfs/dbraw/zinc/98/89/43/562988943.db2.gz	XYSQTGPOHZRMFD-MRXNPFEDSA-N	-2	0	474.384	2.418	1	0		JEAFRL
Cc1nc2ccc(Cn3ccc4cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc43)cc2c(=O)[nH]1	ZINC000013822842	562997894	/nfs/dbraw/zinc/99/78/94/562997894.db2.gz	QVDAULXONVNKPM-IBGZPJMESA-N	-2	0	462.462	2.282	1	0		JEAFRL
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3C(=O)[O-])cc2)n1	ZINC000027551058	563045932	/nfs/dbraw/zinc/04/59/32/563045932.db2.gz	YFKKEYCDNGRSLW-UHFFFAOYSA-N	-3	0	456.436	2.235	1	0		JEAFRL
Cn1c(COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc2ccc(OS(=O)(=O)[O-])cc21	ZINC000031707394	563108410	/nfs/dbraw/zinc/10/84/10/563108410.db2.gz	INUMSVMFZRMZEH-INIZCTEOSA-N	-2	0	463.493	2.228	1	0		JEAFRL
CC(C)c1c(Sc2ccc(CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[nH]c2nc(N)nc(N)c21	ZINC000040918619	563156397	/nfs/dbraw/zinc/15/63/97/563156397.db2.gz	VITYIWQPGWVLBX-ZDUSSCGKSA-N	-2	0	486.554	2.374	1	0		JEAFRL
Nc1nc2sc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000045506339	563196471	/nfs/dbraw/zinc/19/64/71/563196471.db2.gz	KVBZUTNKUVNMNN-INIZCTEOSA-N	-2	0	472.523	2.180	1	0	in-vitro	JEAFRL
CCc1nc(N)nc2[nH]c(C)c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c21	ZINC000001553988	562921329	/nfs/dbraw/zinc/92/13/29/562921329.db2.gz	IKBNTIZRQVNJHZ-KRWDZBQOSA-N	-2	0	453.499	2.244	1	0		JEAFRL
Cc1cc(-n2ncc(=O)[n-]c2=O)cc(C)c1Oc1ccc([O-])c(S(=O)(=O)N2CCCCC2)c1	ZINC000013487248	562967711	/nfs/dbraw/zinc/96/77/11/562967711.db2.gz	HRNYMDIFVOGJRO-UHFFFAOYSA-N	-2	0	472.523	2.210	1	0		JEAFRL
CC[C@H](Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013650878	562981604	/nfs/dbraw/zinc/98/16/04/562981604.db2.gz	NTDTUJSFGRIWAK-DYVFJYSZSA-N	-2	0	480.525	2.282	1	0		JEAFRL
CN(CCCCSC[C@@](O)(CC(=O)[O-])C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000013758220	562988933	/nfs/dbraw/zinc/98/89/33/562988933.db2.gz	XYSQTGPOHZRMFD-INIZCTEOSA-N	-2	0	474.384	2.418	1	0		JEAFRL
Cc1nc2ccc(N(CCF)Cc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013822817	562997913	/nfs/dbraw/zinc/99/79/13/562997913.db2.gz	KWMLJMCVFCWORK-KRWDZBQOSA-N	-2	0	490.513	2.317	1	0		JEAFRL
Cc1nc2ccc(CN(C)c3ccc4c(c3)CN([C@@H](CCC(=O)[O-])C(=O)[O-])C4=O)cc2c(=O)[nH]1	ZINC000013822848	562997923	/nfs/dbraw/zinc/99/79/23/562997923.db2.gz	NMSYAICHXMKIPZ-FQEVSTJZSA-N	-2	0	464.478	2.142	1	0		JEAFRL
CC(C)n1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860271	563002072	/nfs/dbraw/zinc/00/20/72/563002072.db2.gz	DNHOZBARQJWCQC-KRWDZBQOSA-N	-2	0	485.437	2.445	1	0		JEAFRL
CCCCCNC(=O)[C@@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])cc1)NC(C)=O	ZINC000026181661	563023852	/nfs/dbraw/zinc/02/38/52/563023852.db2.gz	XNRMCTLEAQZDHZ-HXUWFJFHSA-N	-2	0	483.521	2.488	1	0		JEAFRL
CC[C@@H](Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027298388	563042253	/nfs/dbraw/zinc/04/22/53/563042253.db2.gz	NTDTUJSFGRIWAK-SUMWQHHRSA-N	-2	0	480.525	2.282	1	0		JEAFRL
CNc1nc(Cl)nc2c1ncn2C[C@@H](COC(=O)Nc1ccccc1)COP(=O)([O-])[O-]	ZINC000027637605	563047911	/nfs/dbraw/zinc/04/79/11/563047911.db2.gz	PYVYXYFYCNRLBV-NSHDSACASA-N	-2	0	470.810	2.496	1	0		JEAFRL
Nc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c(Cl)c2c(=O)[nH]1	ZINC000029334115	563100647	/nfs/dbraw/zinc/10/06/47/563100647.db2.gz	WYQHHZWQYMKJMS-AWEZNQCLSA-N	-2	0	473.873	2.231	1	0		JEAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1cnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000029391120	563101735	/nfs/dbraw/zinc/10/17/35/563101735.db2.gz	FDGUDBJYOFFZMI-OAHLLOKOSA-N	-2	0	473.511	2.175	1	0		JEAFRL
O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2cc(Br)c(Br)s2)cn1	ZINC000013450955	562964741	/nfs/dbraw/zinc/96/47/41/562964741.db2.gz	GJQVWOFYZIUBHE-UHFFFAOYSA-N	-2	0	470.120	2.485	1	0		JEAFRL
Cc1nc2ccc(N(C)[C@H](C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822831	562997888	/nfs/dbraw/zinc/99/78/88/562997888.db2.gz	XMXJHJPVLBGLTL-XCLFUZPHSA-N	-2	0	466.494	2.477	1	0		JEAFRL
Cc1nc2ccc(N(C)[C@@H](C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822833	562997912	/nfs/dbraw/zinc/99/79/12/562997912.db2.gz	XMXJHJPVLBGLTL-RBZFPXEDSA-N	-2	0	466.494	2.477	1	0		JEAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1F	ZINC000026832687	563036388	/nfs/dbraw/zinc/03/63/88/563036388.db2.gz	NZSFZOFCTJTVCG-IBGZPJMESA-N	-2	0	484.484	2.445	1	0		JEAFRL
CN(Cc1ccc2nc(CF)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026834785	563036472	/nfs/dbraw/zinc/03/64/72/563036472.db2.gz	ZBDXGGROHZVTDU-SFHVURJKSA-N	-2	0	470.457	2.077	1	0		JEAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1	ZINC000026835259	563036549	/nfs/dbraw/zinc/03/65/49/563036549.db2.gz	LFQSCBTYLOQLNI-FQEVSTJZSA-N	-2	0	484.484	2.445	1	0		JEAFRL
Cc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c3)cc2c(=O)[nH]1	ZINC000026835533	563036558	/nfs/dbraw/zinc/03/65/58/563036558.db2.gz	NVBYYFVLAJMMFX-SFHVURJKSA-N	-2	0	456.430	2.031	1	0		JEAFRL
CCCCc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000027299175	563042251	/nfs/dbraw/zinc/04/22/51/563042251.db2.gz	VBVWWEULHKPGSY-QGZVFWFLSA-N	-2	0	495.540	2.192	1	0		JEAFRL
CCCCc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc2nc(N)nc(N)c21	ZINC000027299169	563042275	/nfs/dbraw/zinc/04/22/75/563042275.db2.gz	VBVWWEULHKPGSY-KRWDZBQOSA-N	-2	0	495.540	2.192	1	0		JEAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000029339031	563100934	/nfs/dbraw/zinc/10/09/34/563100934.db2.gz	XXANSTYFSHIUSU-OAHLLOKOSA-N	-2	0	473.511	2.175	1	0		JEAFRL
COc1ccc(N(CC(=O)[O-])C(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1OC	ZINC000029346009	563101238	/nfs/dbraw/zinc/10/12/38/563101238.db2.gz	SABVUJZFHKMAHM-QGZVFWFLSA-N	-2	0	474.466	2.281	1	0		JEAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3F)cc2c(=O)[nH]1	ZINC000013724775	562984793	/nfs/dbraw/zinc/98/47/93/562984793.db2.gz	PPMNGUYXXMNROD-SFHVURJKSA-N	-2	0	470.457	2.055	1	0		JEAFRL
O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)O[P@](=O)([O-])CNC(=O)OCc1ccccc1	ZINC000013734493	562985689	/nfs/dbraw/zinc/98/56/89/562985689.db2.gz	AILANHLKGGHWMP-SFHVURJKSA-N	-2	0	464.411	2.275	1	0		JEAFRL
CCN(Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1)c1ccc2nc(C)[nH]c(=O)c2c1	ZINC000013822815	562997901	/nfs/dbraw/zinc/99/79/01/562997901.db2.gz	GDOOAGMJZMCXOO-KRWDZBQOSA-N	-2	0	472.523	2.367	1	0		JEAFRL
Cc1nc2ccc(N[C@H](C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822827	562997908	/nfs/dbraw/zinc/99/79/08/562997908.db2.gz	QQBCHAHZEXPAHK-BLVKFPJESA-N	-2	0	452.467	2.452	1	0		JEAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c4ccccc34)cnc2n1	ZINC000027417991	563043694	/nfs/dbraw/zinc/04/36/94/563043694.db2.gz	ZWIUDBCRBSGGNP-GOSISDBHSA-N	-2	0	489.492	2.002	1	0		JEAFRL
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027862769	563052163	/nfs/dbraw/zinc/05/21/63/563052163.db2.gz	JXXBFGDUTSCHHW-CQSZACIVSA-N	-2	0	456.480	2.013	1	0		JEAFRL
COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)COc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000028370751	563062275	/nfs/dbraw/zinc/06/22/75/563062275.db2.gz	FXQMSOVLEJYZRH-FQEVSTJZSA-N	-2	0	472.494	2.318	1	0		JEAFRL
Cc1nc2ccc(CN(CCF)c3cnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000029339793	563100892	/nfs/dbraw/zinc/10/08/92/563100892.db2.gz	XDMPWFIRJMHUKW-OAHLLOKOSA-N	-2	0	491.501	2.124	1	0		JEAFRL
CCN(Cc1ccc2nc(CF)[nH]c(=O)c2c1)c1cnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000029391718	563101744	/nfs/dbraw/zinc/10/17/44/563101744.db2.gz	WZINJLRYRMSOBY-CQSZACIVSA-N	-2	0	491.501	2.336	1	0		JEAFRL
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@]2(C)[C@]1(O)C(=O)COP(=O)([O-])[O-]	ZINC000036384924	563128573	/nfs/dbraw/zinc/12/85/73/563128573.db2.gz	VQODGRNSFPNSQE-UNQYRISGSA-N	-2	0	472.446	2.013	1	0		JEAFRL
Nc1nc(OCCc2ccccc2)nc2c1ncn2CCCCO[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000043079092	563166991	/nfs/dbraw/zinc/16/69/91/563166991.db2.gz	KHAOVLCDTJYIKK-UHFFFAOYSA-N	-3	0	487.346	2.037	1	0		JEAFRL
Nc1nc2[nH]c(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000045373500	563194026	/nfs/dbraw/zinc/19/40/26/563194026.db2.gz	PXLHWFGCOXHOCS-HNNXBMFYSA-N	-2	0	489.554	2.288	1	0		JEAFRL
Cc1c(CCO[P@@](=O)([O-])OP(=O)([O-])[O-])sc(=S)n1Cc1cnc(C)nc1N	ZINC000013551333	560219772	/nfs/dbraw/zinc/21/97/72/560219772.db2.gz	SYRCOKXTJAASDE-UHFFFAOYSA-N	-3	0	456.379	2.085	1	0	in-vitro,metabolite	JEAFRL
S=c1[n-]n2c(COc3cccc(OCc4nnc5sc(=S)[n-]n45)c3)nnc2s1	ZINC000001660954	562923073	/nfs/dbraw/zinc/92/30/73/562923073.db2.gz	QSQIREWFEDUDCC-UHFFFAOYSA-N	-2	0	450.556	2.420	1	0		JEAFRL
O=C([O-])C1N=C(c2cscc2NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)NC(=O)C1=O	ZINC000003582091	562927195	/nfs/dbraw/zinc/92/71/95/562927195.db2.gz	OUOJKLCLNSIIGC-UHFFFAOYSA-N	-2	0	470.872	2.066	1	0		JEAFRL
Cc1nc2ccc(CN(C)c3cc(F)c(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3F)cc2c(=O)[nH]1	ZINC000013724756	562984706	/nfs/dbraw/zinc/98/47/06/562984706.db2.gz	DBDUDTXGCJFRIQ-SFHVURJKSA-N	-2	0	488.447	2.194	1	0		JEAFRL
O=C([O-])[C@@H](C[P@](=O)([O-])O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1	ZINC000013860273	563002084	/nfs/dbraw/zinc/00/20/84/563002084.db2.gz	OKJZIZVNNATHRC-GOSISDBHSA-N	-2	0	497.448	2.274	1	0		JEAFRL
Nc1nc(N)c2c(ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c2Cl)n1	ZINC000016923786	563013234	/nfs/dbraw/zinc/01/32/34/563013234.db2.gz	PFAJRSFHQCUKQB-CQSZACIVSA-N	-2	0	472.889	2.108	1	0		JEAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000017198702	563013715	/nfs/dbraw/zinc/01/37/15/563013715.db2.gz	RAHNGCGSCRHQTN-HNNXBMFYSA-N	-2	0	458.496	2.059	1	0		JEAFRL
Cc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3F)cc2c(=O)[nH]1	ZINC000026833444	563036462	/nfs/dbraw/zinc/03/64/62/563036462.db2.gz	KSAWXERTKCUAMY-SFHVURJKSA-N	-2	0	456.430	2.031	1	0		JEAFRL
CCC[C@@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210211	563041948	/nfs/dbraw/zinc/04/19/48/563041948.db2.gz	OIYNQSWZWOFEGU-MAUKXSAKSA-N	-2	0	480.525	2.363	1	0		JEAFRL
Nc1nc2ccc(NCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c(Cl)c2c(=O)[nH]1	ZINC000029324107	563100338	/nfs/dbraw/zinc/10/03/38/563100338.db2.gz	GBFUWHPCXNMVFC-CQSZACIVSA-N	-2	0	473.873	2.231	1	0		JEAFRL
Nc1nc(N)c2c(ccc(NCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c2Cl)n1	ZINC000029327106	563100476	/nfs/dbraw/zinc/10/04/76/563100476.db2.gz	WGIKIIDKTQBKLQ-CQSZACIVSA-N	-2	0	472.889	2.108	1	0		JEAFRL
O=C([O-])[C@H](C[P@](=O)([O-])O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1	ZINC000003587536	562927202	/nfs/dbraw/zinc/92/72/02/562927202.db2.gz	OKJZIZVNNATHRC-SFHVURJKSA-N	-2	0	497.448	2.274	1	0		JEAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c3F)cc2c(=O)[nH]1	ZINC000013724748	562984655	/nfs/dbraw/zinc/98/46/55/562984655.db2.gz	RQAICJOIQDIWAH-INIZCTEOSA-N	-2	0	488.447	2.194	1	0		JEAFRL
Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c3)cc2c(=O)[nH]1	ZINC000013724768	562984700	/nfs/dbraw/zinc/98/47/00/562984700.db2.gz	PZZYKNOURKSWRH-IBGZPJMESA-N	-2	0	470.457	2.055	1	0		JEAFRL
COc1nc2ccc(COc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2nc1OC	ZINC000017249042	563013978	/nfs/dbraw/zinc/01/39/78/563013978.db2.gz	QBKWTOQVYHOPMC-KRWDZBQOSA-N	-2	0	469.450	2.274	1	0		JEAFRL
Cc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026834533	563036486	/nfs/dbraw/zinc/03/64/86/563036486.db2.gz	JLCLWKXSKWZVJB-FQEVSTJZSA-N	-2	0	484.484	2.255	1	0		JEAFRL
C[C@H](NS(=O)(=O)Cc1ccc(F)cc1Cl)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563666	563069055	/nfs/dbraw/zinc/06/90/55/563069055.db2.gz	RDKUKTFABAHRLK-NXEZZACHSA-N	-3	0	459.816	2.081	1	0		JEAFRL
CCCc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[nH]c2nc(N)nc(N)c21	ZINC000034637511	563114261	/nfs/dbraw/zinc/11/42/61/563114261.db2.gz	HIASMWINOBPTSS-ZDUSSCGKSA-N	-2	0	472.527	2.274	1	0		JEAFRL
Cc1sc2[nH]c(N)nc(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000039274608	563136549	/nfs/dbraw/zinc/13/65/49/563136549.db2.gz	XZCPGLYOPFIZBL-NSHDSACASA-N	-2	0	462.509	2.074	1	0	in-vitro	JEAFRL
COc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)Nc2ccc(C(=O)[O-])cc2)cc(OC)c1OC	ZINC000045495397	563195550	/nfs/dbraw/zinc/19/55/50/563195550.db2.gz	VUDJWDOZBXAVEB-OAHLLOKOSA-N	-2	0	460.439	2.013	1	0		JEAFRL
COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(OP(=O)([O-])[O-])c1OP(=O)([O-])[O-]	ZINC000045495345	563195575	/nfs/dbraw/zinc/19/55/75/563195575.db2.gz	WYVUPQCMACOKRG-UHFFFAOYSA-N	-4	0	494.326	2.449	1	0		JEAFRL
C[C@@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)[P@](=O)([O-])C[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000058554815	563207280	/nfs/dbraw/zinc/20/72/80/563207280.db2.gz	AYDWRIDGNZUTPK-JQWIXIFHSA-N	-3	0	475.378	2.307	1	0		JEAFRL
Nc1cc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2)ccc1C(=O)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000001631316	562921851	/nfs/dbraw/zinc/92/18/51/562921851.db2.gz	KQGPQPBNCNVIOV-UHFFFAOYSA-N	-2	0	491.503	2.267	1	0		JEAFRL
O=C([O-])[C@@H]1CCCN1C(=O)C[P@](=O)([O-])C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000013590065	562978173	/nfs/dbraw/zinc/97/81/73/562978173.db2.gz	PLVGAAWTABLUDL-UXHICEINSA-N	-2	0	458.451	2.374	1	0		JEAFRL
Nc1nc(N)c2cc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c4ccccc34)cnc2n1	ZINC000013732274	562985353	/nfs/dbraw/zinc/98/53/53/562985353.db2.gz	ZWIUDBCRBSGGNP-SFHVURJKSA-N	-2	0	489.492	2.002	1	0		JEAFRL
Cc1nc2ccc(CN(CCF)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1	ZINC000013821829	562997727	/nfs/dbraw/zinc/99/77/27/562997727.db2.gz	IDXSBDMSYRZLIU-INIZCTEOSA-N	-2	0	490.513	2.317	1	0		JEAFRL
COc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2nc1OC	ZINC000017250540	563013952	/nfs/dbraw/zinc/01/39/52/563013952.db2.gz	TXLRWYKHRCXMMP-KRWDZBQOSA-N	-2	0	468.466	2.307	1	0		JEAFRL
COc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2nc1OC	ZINC000001641912	562922113	/nfs/dbraw/zinc/92/21/13/562922113.db2.gz	TXLRWYKHRCXMMP-QGZVFWFLSA-N	-2	0	468.466	2.307	1	0		JEAFRL
CC[C@@H](Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013650877	562981594	/nfs/dbraw/zinc/98/15/94/562981594.db2.gz	NTDTUJSFGRIWAK-GUYCJALGSA-N	-2	0	480.525	2.282	1	0		JEAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000013821817	562997761	/nfs/dbraw/zinc/99/77/61/562997761.db2.gz	MULXJTJXJFYDDH-FQEVSTJZSA-N	-2	0	466.494	2.306	1	0		JEAFRL
Cc1nc2ccc(CNc3ccc4c(c3)CN([C@@H](CCC(=O)[O-])C(=O)[O-])C4=O)cc2c(=O)[nH]1	ZINC000013822846	562997916	/nfs/dbraw/zinc/99/79/16/562997916.db2.gz	IXBWPXRSIVUSEM-IBGZPJMESA-N	-2	0	450.451	2.117	1	0		JEAFRL
O=C([O-])[C@@H]1CCCN1C(=O)C[P@@](=O)([O-])C[C@H](Cc1ccccc1)NC(=O)c1ccccc1	ZINC000021288898	563016494	/nfs/dbraw/zinc/01/64/94/563016494.db2.gz	PLVGAAWTABLUDL-PMACEKPBSA-N	-2	0	458.451	2.374	1	0		JEAFRL
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H](c1cccc(NC(N)=O)c1)C(C)C	ZINC000026725526	563033984	/nfs/dbraw/zinc/03/39/84/563033984.db2.gz	RAVAJHOVWMQVFP-PMACEKPBSA-N	-2	0	492.469	2.209	1	0		JEAFRL
Cn1c(COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc2ccc(OS(=O)(=O)[O-])cc21	ZINC000031707401	563108430	/nfs/dbraw/zinc/10/84/30/563108430.db2.gz	INUMSVMFZRMZEH-MRXNPFEDSA-N	-2	0	463.493	2.228	1	0		JEAFRL
Cc1cccc(S(=O)(=O)[N-]C(=O)NCCCCCNC(=O)[N-]S(=O)(=O)c2cccc(C)c2)c1	ZINC000040860349	563149939	/nfs/dbraw/zinc/14/99/39/563149939.db2.gz	XLPYVOTWAZIVLA-UHFFFAOYSA-N	-2	0	496.611	2.150	1	0		JEAFRL
O=C([O-])CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013554335	562973634	/nfs/dbraw/zinc/97/36/34/562973634.db2.gz	NJMORLAFOWWPSA-SFTDATJTSA-N	-2	0	484.530	2.164	1	0		JEAFRL
O=C(N[C@H]1CSCCN(CCCc2ccccc2)C1=O)c1ccc(OP(=O)([O-])[O-])cc1	ZINC000013558782	562974352	/nfs/dbraw/zinc/97/43/52/562974352.db2.gz	VPJSDPAJWQWRCV-IBGZPJMESA-N	-2	0	464.480	2.465	1	0		JEAFRL
O=c1nc2n(c([O-])c1[C@H](c1ccc(Cl)cc1)c1c([O-])nc3n(c1=O)CCS3)CCS2	ZINC000013635512	562980093	/nfs/dbraw/zinc/98/00/93/562980093.db2.gz	XLDKWDOFGNUSAO-LLVKDONJSA-N	-2	0	462.940	2.256	1	0		JEAFRL
O=C([O-])C[C@](O)(CSCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758218	562988884	/nfs/dbraw/zinc/98/88/84/562988884.db2.gz	VWUJUDPNIQGABH-HNNXBMFYSA-N	-2	0	460.357	2.076	1	0		JEAFRL
CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NCc1nc(CC2CCCCC2)no1	ZINC000026470540	563027904	/nfs/dbraw/zinc/02/79/04/563027904.db2.gz	MGJMFICFOLDNCR-SFHVURJKSA-N	-2	0	480.458	2.028	1	0		JEAFRL
CCN(Cc1ccc2nc(CF)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000026826273	563035998	/nfs/dbraw/zinc/03/59/98/563035998.db2.gz	JUYQQEWDJJSUES-IBGZPJMESA-N	-2	0	484.484	2.467	1	0		JEAFRL
CCC[C@@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210202	563041924	/nfs/dbraw/zinc/04/19/24/563041924.db2.gz	OIYNQSWZWOFEGU-YJBOKZPZSA-N	-2	0	480.525	2.363	1	0		JEAFRL
CC[C@H](Cc1cnc2nc(N)nc(N)c2c1C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027298394	563042288	/nfs/dbraw/zinc/04/22/88/563042288.db2.gz	NTDTUJSFGRIWAK-CXAGYDPISA-N	-2	0	480.525	2.282	1	0		JEAFRL
Nc1nc2ccc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c(Cl)c2c(=O)[nH]1	ZINC000029324102	563100318	/nfs/dbraw/zinc/10/03/18/563100318.db2.gz	GBFUWHPCXNMVFC-AWEZNQCLSA-N	-2	0	473.873	2.231	1	0		JEAFRL
CCCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000029334148	563100648	/nfs/dbraw/zinc/10/06/48/563100648.db2.gz	WFTUVZIOVCJWQV-LJQANCHMSA-N	-2	0	481.509	2.382	1	0		JEAFRL
CCC[C@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210206	563041920	/nfs/dbraw/zinc/04/19/20/563041920.db2.gz	OIYNQSWZWOFEGU-QAPCUYQASA-N	-2	0	480.525	2.363	1	0		JEAFRL
CCN(Cc1ccc2nc(OC)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027648815	563048449	/nfs/dbraw/zinc/04/84/49/563048449.db2.gz	LESFYNZFQZTKFT-IBGZPJMESA-N	-2	0	482.493	2.006	1	0		JEAFRL
CCN(Cc1ccc2nc(OC)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027648820	563048548	/nfs/dbraw/zinc/04/85/48/563048548.db2.gz	LESFYNZFQZTKFT-LJQANCHMSA-N	-2	0	482.493	2.006	1	0		JEAFRL
CNc1nc(Cl)nc2c1ncn2C[C@H](COC(=O)c1ccccc1)COP(=O)([O-])[O-]	ZINC000027653004	563048813	/nfs/dbraw/zinc/04/88/13/563048813.db2.gz	LQZORMWFCCUOCK-LLVKDONJSA-N	-2	0	455.795	2.104	1	0		JEAFRL
Nc1nc(N)c2c(ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2Cl)n1	ZINC000001712111	562923303	/nfs/dbraw/zinc/92/33/03/562923303.db2.gz	PFAJRSFHQCUKQB-AWEZNQCLSA-N	-2	0	472.889	2.108	1	0		JEAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1	ZINC000013821823	562997726	/nfs/dbraw/zinc/99/77/26/562997726.db2.gz	OLNMZHAKEQTRPW-INIZCTEOSA-N	-2	0	472.523	2.367	1	0		JEAFRL
CNc1nc(Cl)nc2c1ncn2C[C@H](COC(=O)Nc1ccccc1)COP(=O)([O-])[O-]	ZINC000027637611	563047893	/nfs/dbraw/zinc/04/78/93/563047893.db2.gz	PYVYXYFYCNRLBV-LLVKDONJSA-N	-2	0	470.810	2.496	1	0		JEAFRL
C[C@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563893	563069049	/nfs/dbraw/zinc/06/90/49/563069049.db2.gz	AYDWRIDGNZUTPK-ZYHUDNBSSA-N	-3	0	475.378	2.307	1	0		JEAFRL
Cn1c(Cc2nc3cc(Cl)ccc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860235	563001962	/nfs/dbraw/zinc/00/19/62/563001962.db2.gz	SSGASICGZBSISG-OAHLLOKOSA-N	-2	0	491.828	2.055	1	0		JEAFRL
CCc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000026833031	563036353	/nfs/dbraw/zinc/03/63/53/563036353.db2.gz	FCSYRKVOQVMHPU-SFHVURJKSA-N	-2	0	452.467	2.145	1	0		JEAFRL
C[C@H](NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563658	563069067	/nfs/dbraw/zinc/06/90/67/563069067.db2.gz	NDCNLSJUBLRDIM-ZYHUDNBSSA-N	-3	0	475.378	2.307	1	0		JEAFRL
COc1nc2ccc(COc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2nc1OC	ZINC000001639099	562922107	/nfs/dbraw/zinc/92/21/07/562922107.db2.gz	QBKWTOQVYHOPMC-QGZVFWFLSA-N	-2	0	469.450	2.274	1	0		JEAFRL
O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)O[P@](=O)([O-])CNC(=O)OCc1ccccc1	ZINC000013734490	562985642	/nfs/dbraw/zinc/98/56/42/562985642.db2.gz	AILANHLKGGHWMP-GOSISDBHSA-N	-2	0	464.411	2.275	1	0		JEAFRL
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)COP(=O)([O-])[O-]	ZINC000013783342	562992809	/nfs/dbraw/zinc/99/28/09/562992809.db2.gz	VQODGRNSFPNSQE-IPKXMWHQSA-N	-2	0	472.446	2.013	1	0		JEAFRL
Cc1nc2ccc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3F)cc2c(=O)[nH]1	ZINC000013822825	562997904	/nfs/dbraw/zinc/99/79/04/562997904.db2.gz	XKGQUMISOGIWII-SFHVURJKSA-N	-2	0	456.430	2.031	1	0		JEAFRL
Cc1nc2ccc(N[C@@H](C)c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000013822829	562997917	/nfs/dbraw/zinc/99/79/17/562997917.db2.gz	QQBCHAHZEXPAHK-BUXKBTBVSA-N	-2	0	452.467	2.452	1	0		JEAFRL
CCC[C@H](Cc1ccc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000027210215	563041921	/nfs/dbraw/zinc/04/19/21/563041921.db2.gz	OIYNQSWZWOFEGU-CRAIPNDOSA-N	-2	0	480.525	2.363	1	0		JEAFRL
CCCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000029334144	563100675	/nfs/dbraw/zinc/10/06/75/563100675.db2.gz	WFTUVZIOVCJWQV-IBGZPJMESA-N	-2	0	481.509	2.382	1	0		JEAFRL
CCc1sc2[nH]c(N)nc(=O)c2c1Sc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000039273512	563136532	/nfs/dbraw/zinc/13/65/32/563136532.db2.gz	RSFXTHIRRXEJJD-NSHDSACASA-N	-2	0	476.536	2.328	1	0	in-vitro	JEAFRL
Nc1nc2[nH]c(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1	ZINC000040424209	563142762	/nfs/dbraw/zinc/14/27/62/563142762.db2.gz	RPYYKEVLDNHRJX-SFHVURJKSA-N	-2	0	483.525	2.227	1	0		JEAFRL
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(OP(=O)([O-])[O-])cc2)CC1	ZINC000003955679	562930826	/nfs/dbraw/zinc/93/08/26/562930826.db2.gz	ZBAKGHADPNCFBR-UHFFFAOYSA-N	-3	0	477.385	2.051	1	0		JEAFRL
O=C([O-])C[C@H](OC(=O)/C=C/c1ccc(O)cc1)[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C(=O)[O-]	ZINC000013339564	562962056	/nfs/dbraw/zinc/96/20/56/562962056.db2.gz	VJLMRHSHSNLOGC-NOPZTHQXSA-N	-2	0	456.403	2.207	1	0	in-vivo	JEAFRL
Nc1nc2occ(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(N)n1	ZINC000013671589	562982532	/nfs/dbraw/zinc/98/25/32/562982532.db2.gz	RPOKXCAAPGZJKX-HNNXBMFYSA-N	-2	0	455.471	2.000	1	0		JEAFRL
Cc1cc(N(C)Cc2ccc3nc(C)[nH]c(=O)c3c2)ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000026831436	563036246	/nfs/dbraw/zinc/03/62/46/563036246.db2.gz	ILPICMWMGICQAX-FQEVSTJZSA-N	-2	0	466.494	2.224	1	0		JEAFRL
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(OC)c1	ZINC000026831935	563036267	/nfs/dbraw/zinc/03/62/67/563036267.db2.gz	APPDUCKVIFCUFC-FQEVSTJZSA-N	-2	0	496.520	2.314	1	0		JEAFRL
CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])cc1)NC(C)=O	ZINC000013519784	562970740	/nfs/dbraw/zinc/97/07/40/562970740.db2.gz	XNRMCTLEAQZDHZ-FQEVSTJZSA-N	-2	0	483.521	2.488	1	0		JEAFRL
O=c1nc2n(c([O-])c1[C@@H](c1ccc(Cl)cc1)c1c([O-])nc3n(c1=O)CCS3)CCS2	ZINC000013635515	562980118	/nfs/dbraw/zinc/98/01/18/562980118.db2.gz	XLDKWDOFGNUSAO-NSHDSACASA-N	-2	0	462.940	2.256	1	0		JEAFRL
CC(C)c1nc([N-]c2nnnn2C)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000014978036	563010747	/nfs/dbraw/zinc/01/07/47/563010747.db2.gz	OWGDGUYWLUBIIC-GUFYHEMZSA-N	-2	0	471.493	2.273	1	0		JEAFRL
CNc1nc(Cl)nc2c1ncn2C[C@@H](COC(=O)c1ccccc1)COP(=O)([O-])[O-]	ZINC000027653001	563048861	/nfs/dbraw/zinc/04/88/61/563048861.db2.gz	LQZORMWFCCUOCK-NSHDSACASA-N	-2	0	455.795	2.104	1	0		JEAFRL
Nc1nc(N)c2c(ccc(NCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2Cl)n1	ZINC000029327102	563100495	/nfs/dbraw/zinc/10/04/95/563100495.db2.gz	WGIKIIDKTQBKLQ-AWEZNQCLSA-N	-2	0	472.889	2.108	1	0		JEAFRL
Cn1c(Cc2nc3cc(Cl)ccc3[nH]2)nc2ccc(C(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000003588007	562927268	/nfs/dbraw/zinc/92/72/68/562927268.db2.gz	SSGASICGZBSISG-HNNXBMFYSA-N	-2	0	491.828	2.055	1	0		JEAFRL
Cc1nc2ccc(CN(C)c3cc(F)c(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c3)cc2c(=O)[nH]1	ZINC000013724740	562984693	/nfs/dbraw/zinc/98/46/93/562984693.db2.gz	CZFXWGOXZLGTJI-SFHVURJKSA-N	-2	0	488.447	2.194	1	0		JEAFRL
O=C([O-])C[C@@](O)(CSCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758215	562988921	/nfs/dbraw/zinc/98/89/21/562988921.db2.gz	VWUJUDPNIQGABH-OAHLLOKOSA-N	-2	0	460.357	2.076	1	0		JEAFRL
C[C@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-]	ZINC000013786288	562992843	/nfs/dbraw/zinc/99/28/43/562992843.db2.gz	VQODGRNSFPNSQE-ANCMLCFYSA-N	-2	0	472.446	2.013	1	0		JEAFRL
CC(C)n1c(Cc2nc3ccccc3[nH]2)nc2ccc(C(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-])cc21	ZINC000013860272	563002061	/nfs/dbraw/zinc/00/20/61/563002061.db2.gz	DNHOZBARQJWCQC-QGZVFWFLSA-N	-2	0	485.437	2.445	1	0		JEAFRL
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CC(C)C)[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000014976282	563010374	/nfs/dbraw/zinc/01/03/74/563010374.db2.gz	QLFFWDQEWFNAKS-GIVPXCGWSA-N	-2	0	492.513	2.159	1	0		JEAFRL
CC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(C)=O)c1nc(CCC(C)C)no1	ZINC000026403748	563027738	/nfs/dbraw/zinc/02/77/38/563027738.db2.gz	NXEUFOWUVZGTRU-ROUUACIJSA-N	-2	0	482.474	2.444	1	0		JEAFRL
Nc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c(Cl)c2c(=O)[nH]1	ZINC000029334120	563100693	/nfs/dbraw/zinc/10/06/93/563100693.db2.gz	WYQHHZWQYMKJMS-CQSZACIVSA-N	-2	0	473.873	2.231	1	0		JEAFRL