smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@](Br)(C(N)=O)[C@@]1([O-])OC(c2ccccc2)=C(Br)C1=O	ZINC000001663148	562923117	/nfs/dbraw/zinc/92/31/17/562923117.db2.gz	HNUYMPXXEANFOK-GJZGRUSLSA-N	-1	3	463.078	1.220	1	30		JDEFHM
CCOC(=O)[C@](Br)(C(N)=O)[C@@]1([O-])OC(c2ccccc2)=C(Br)C1=O	ZINC000001663149	562923154	/nfs/dbraw/zinc/92/31/54/562923154.db2.gz	HNUYMPXXEANFOK-CABCVRRESA-N	-1	3	463.078	1.220	1	30		JDEFHM
O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000005812104	562935015	/nfs/dbraw/zinc/93/50/15/562935015.db2.gz	UQRINVXVCLEHJN-KKUMJFAQSA-N	-1	3	464.318	1.615	1	30		JDEFHM
COc1ccc(S(=O)(=O)[C@](C)(Cc2ccc(OCCN3CCOCC3)cc2)C(=O)N[O-])cc1	ZINC000013520891	562970825	/nfs/dbraw/zinc/97/08/25/562970825.db2.gz	KDJZFDKCOPXERM-HSZRJFAPSA-N	-1	3	478.567	1.687	1	30		JDEFHM
COC(=O)CC[C@H](C(=O)N[O-])N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535581	562972662	/nfs/dbraw/zinc/97/26/62/562972662.db2.gz	BZUXAYWQDFEQBO-QGZVFWFLSA-N	-1	3	480.495	1.442	1	30		JDEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NC(=O)c1cccc2cccnc21)C(=O)N[O-])C(C)(C)C	ZINC000013802375	562994393	/nfs/dbraw/zinc/99/43/93/562994393.db2.gz	BKTXYTRQOBRSNS-YZGWKJHDSA-N	-1	3	485.585	1.778	1	30		JDEFHM
CCCN(CC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@H](C(=O)N[O-])C1	ZINC000013804725	562994917	/nfs/dbraw/zinc/99/49/17/562994917.db2.gz	PNVLBMRGQMDPBJ-SFHVURJKSA-N	-1	3	454.549	1.118	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)C(=O)N[O-])cc1	ZINC000026184312	563023935	/nfs/dbraw/zinc/02/39/35/563023935.db2.gz	OMHDLWHIJQAYBQ-HSALFYBXSA-N	-1	3	476.555	1.483	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)N[C@@H]2C[C@H]2c2ccccc2)C(=O)N[O-])cc1	ZINC000026184323	563023958	/nfs/dbraw/zinc/02/39/58/563023958.db2.gz	OMHDLWHIJQAYBQ-SLFFLAALSA-N	-1	3	476.555	1.483	1	30		JDEFHM
CNC(=O)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](CN1C(=O)c2ccccc2C1=O)C(=O)N[O-])C(C)(C)C	ZINC000026392175	563027268	/nfs/dbraw/zinc/02/72/68/563027268.db2.gz	KYOFVPKPPTUVKK-KURKYZTESA-N	-1	3	474.558	1.343	1	30		JDEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NC[C@H]2CCCO2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579522	563031323	/nfs/dbraw/zinc/03/13/23/563031323.db2.gz	BLOFXBALQSQAJS-HCXYKTFWSA-N	-1	3	484.594	1.241	1	30		JDEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[S@](C)=O	ZINC000027086920	563039362	/nfs/dbraw/zinc/03/93/62/563039362.db2.gz	YYNSCEZITFRMIS-HLUMDTMUSA-N	-1	3	464.588	1.248	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000028338274	563060117	/nfs/dbraw/zinc/06/01/17/563060117.db2.gz	SMRKDKVRUIEVHG-NRFANRHFSA-N	-1	3	471.535	1.500	1	30		JDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccnc(Cl)c3)cc2)[C@H]1C(=O)N[O-]	ZINC000028455247	563063930	/nfs/dbraw/zinc/06/39/30/563063930.db2.gz	KHAOJBRQDUCAFK-PKOBYXMFSA-N	-1	3	455.920	1.724	1	30		JDEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)N(CC)CC)CC2)cc1	ZINC000028861983	563083183	/nfs/dbraw/zinc/08/31/83/563083183.db2.gz	HGILVKJBXAXGDH-UHFFFAOYSA-N	-1	3	464.588	1.945	1	30		JDEFHM
O=C(N[O-])C1(CS(=O)(=O)N2CC[C@@H](c3ccccc3)C2)CCN(C(=O)O[C@H]2CCOC2)CC1	ZINC000029039774	563091172	/nfs/dbraw/zinc/09/11/72/563091172.db2.gz	AFJYAUBLMRWZHB-MOPGFXCFSA-N	-1	3	481.571	1.319	1	30		JDEFHM
O=C(N[O-])[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000040429436	563143348	/nfs/dbraw/zinc/14/33/48/563143348.db2.gz	YPKIDRAXEHHNGA-AWEZNQCLSA-N	-1	3	468.340	1.124	1	30		JDEFHM
CN1C[C@@H](CC(=O)N2CCCCC2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000040430666	563143640	/nfs/dbraw/zinc/14/36/40/563143640.db2.gz	VOGZLMQCZGOADJ-NWSQWKLXSA-N	-1	3	471.602	1.180	1	30		JDEFHM
O=C(N[O-])[C@H](CCCCNS(=O)(=O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1	ZINC000040976159	563162103	/nfs/dbraw/zinc/16/21/03/563162103.db2.gz	MOKPWPXQMULGAW-KRWDZBQOSA-N	-1	3	477.511	1.266	1	30		JDEFHM
CN1C[C@@H](OC(=O)N2CCC(F)(F)C2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000045254766	563182551	/nfs/dbraw/zinc/18/25/51/563182551.db2.gz	JOTYZMGPCUSZKL-FHWLQOOXSA-N	-1	3	495.527	1.007	1	30		JDEFHM
C[C@@H]1CCC([O-])=C(O)C(=O)C=CCc2cc(OCCN3CCOCC3)cc(O)c2C(=O)O[C@H]1C	ZINC000049071883	563201402	/nfs/dbraw/zinc/20/14/02/563201402.db2.gz	UJFWLTXTEOTYIM-HFFLNOLGSA-N	-1	3	475.538	1.549	1	30		JDEFHM
C[C@@H]1CCC(=O)C(O)=C([O-])C=CCc2cc(OCCN3CCOCC3)cc(O)c2C(=O)O[C@H]1C	ZINC000049071883	563201403	/nfs/dbraw/zinc/20/14/03/563201403.db2.gz	UJFWLTXTEOTYIM-HFFLNOLGSA-N	-1	3	475.538	1.549	1	30		JDEFHM
C=CCN(C)C(=O)C1CCN(c2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)CC1	ZINC000049089627	563201996	/nfs/dbraw/zinc/20/19/96/563201996.db2.gz	ZUERCGBCDFBAQX-UHFFFAOYSA-N	-1	3	465.572	1.376	1	30		JDEFHM
COC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1cccc(C)c1C	ZINC000058568388	563207478	/nfs/dbraw/zinc/20/74/78/563207478.db2.gz	WHQHXKBSDCWSRO-CWTSIQBVSA-N	-1	3	460.420	1.984	1	30		JDEFHM
CCOC(=O)[C@](Br)(C(N)=O)[C@]1([O-])OC(c2ccccc2)=C(Br)C1=O	ZINC000001663147	562923113	/nfs/dbraw/zinc/92/31/13/562923113.db2.gz	HNUYMPXXEANFOK-HUUCEWRRSA-N	-1	3	463.078	1.220	1	30		JDEFHM
O=C(CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N[O-]	ZINC000010450218	562957254	/nfs/dbraw/zinc/95/72/54/562957254.db2.gz	ROMGJVVZNVJOPW-UHFFFAOYSA-N	-1	3	455.317	1.987	1	30		JDEFHM
CCCC[C@H](NC(=O)C(=O)N[O-])C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N(C)C	ZINC000013439885	562962949	/nfs/dbraw/zinc/96/29/49/562962949.db2.gz	AEBYYXPQFGRZDC-FCHUYYIVSA-N	-1	3	498.580	1.562	1	30		JDEFHM
COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@@H](C(=O)N[O-])C1	ZINC000013441658	562963434	/nfs/dbraw/zinc/96/34/34/562963434.db2.gz	LBWSTPFPCOJWNQ-DNVCBOLYSA-N	-1	3	466.487	1.852	1	30		JDEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3cc(F)cc(F)c3)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013539433	562973119	/nfs/dbraw/zinc/97/31/19/562973119.db2.gz	RCOBSDNFRJAUBV-RNODOKPDSA-N	-1	3	483.493	1.659	1	30		JDEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013553160	562973157	/nfs/dbraw/zinc/97/31/57/562973157.db2.gz	IINBMMZSLVIMTL-QMHKHESXSA-N	-1	3	498.561	1.929	1	30		JDEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3cccnc3C)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013553161	562973212	/nfs/dbraw/zinc/97/32/12/562973212.db2.gz	HEJQAFMDGAOYSZ-MGPUTAFESA-N	-1	3	462.528	1.084	1	30		JDEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCCc1ccccc1)CC(=O)N[O-]	ZINC000013741987	562987191	/nfs/dbraw/zinc/98/71/91/562987191.db2.gz	WSGLDBYEABEDRD-YADHBBJMSA-N	-1	3	482.581	1.501	1	30		JDEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)NO)C(C)(C)C	ZINC000013802370	562994377	/nfs/dbraw/zinc/99/43/77/562994377.db2.gz	PBSIODYTWGDTMB-MCXDLHDFSA-N	-1	3	496.630	1.390	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)C3CC3)C[C@H]2C(=O)N[O-])cc1	ZINC000013818618	562997024	/nfs/dbraw/zinc/99/70/24/562997024.db2.gz	BLQAAMGUGMNRQN-QFIPXVFZSA-N	-1	3	483.546	1.910	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(C)=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000013818612	562997037	/nfs/dbraw/zinc/99/70/37/562997037.db2.gz	PRQWPDFKJBVNKQ-OAQYLSRUSA-N	-1	3	457.508	1.520	1	30		JDEFHM
CN1CC(=O)N([C@H]2C[C@H](C(=O)N[O-])N(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2)C1=O	ZINC000013835763	563001541	/nfs/dbraw/zinc/00/15/41/563001541.db2.gz	YIYXDKFJIKECAM-KBXCAEBGSA-N	-1	3	474.495	1.010	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)NCCc2cccs2)C(=O)N[O-])cc1	ZINC000026178886	563023641	/nfs/dbraw/zinc/02/36/41/563023641.db2.gz	WSRZEXXFVNKSRF-QGZVFWFLSA-N	-1	3	470.573	1.231	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)N[C@H]2C[C@H]2c2ccccc2)C(=O)N[O-])cc1	ZINC000026184328	563024000	/nfs/dbraw/zinc/02/40/00/563024000.db2.gz	OMHDLWHIJQAYBQ-UFYCRDLUSA-N	-1	3	476.555	1.483	1	30		JDEFHM
CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(=O)[O-]	ZINC000026403958	563027760	/nfs/dbraw/zinc/02/77/60/563027760.db2.gz	KWJJDZYGKXQTJC-YSTOQKLRSA-N	-1	3	496.699	1.134	1	30		JDEFHM
O=C([N-]O)c1c2c(ccc1S(=O)(=O)N1CCC(OCc3ccc4c(c3)OCO4)CC1)OCO2	ZINC000026503364	563029232	/nfs/dbraw/zinc/02/92/32/563029232.db2.gz	PDGCWNNXCULGFK-UHFFFAOYSA-N	-1	3	478.479	1.633	1	30		JDEFHM
CCCCCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)NC)Cc2ccc(cc2)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579643	563031295	/nfs/dbraw/zinc/03/12/95/563031295.db2.gz	HPASCPXTBGYAPJ-HKBOAZHASA-N	-1	3	490.601	1.457	1	30		JDEFHM
CSCC[C@H](NC(=O)[C@H](CCCNC(=O)[C@@H](N)CS)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000026667343	563033091	/nfs/dbraw/zinc/03/30/91/563033091.db2.gz	QMBOMETUAPMBFM-PVAVHDDUSA-N	-1	3	459.609	1.460	1	30		JDEFHM
CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@@H](N)CS)Cc1ccc(F)cc1)C(=O)[O-]	ZINC000026667338	563033131	/nfs/dbraw/zinc/03/31/31/563033131.db2.gz	QMBOMETUAPMBFM-XIRDDKMYSA-N	-1	3	459.609	1.460	1	30		JDEFHM
COc1ccc(C[C@H](CCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000026674951	563033599	/nfs/dbraw/zinc/03/35/99/563033599.db2.gz	XSAVTNXMPFIQMO-SZMVWBNQSA-N	-1	3	471.645	1.330	1	30		JDEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1[C@@H](COCC(=O)N[O-])[C@@H]1CSc1ccccc1	ZINC000026837320	563036671	/nfs/dbraw/zinc/03/66/71/563036671.db2.gz	HECCDGMGLZRKDV-XWUOBKMESA-N	-1	3	471.579	1.636	1	30		JDEFHM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)N[O-]	ZINC000027900570	563053341	/nfs/dbraw/zinc/05/33/41/563053341.db2.gz	JBYQQXSCANNDNP-STWLZBDKSA-N	-1	3	471.554	1.364	1	30		JDEFHM
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)C(=O)/C(=C1/C(=O)[N-]c2c1cc(C)cc2[N+](=O)[O-])C3	ZINC000028015748	563055058	/nfs/dbraw/zinc/05/50/58/563055058.db2.gz	IIEZWWXBZMHQBH-UPMCQBDUSA-N	-1	3	451.391	1.322	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@@H]2C(=O)N[O-])cc1	ZINC000028342981	563060532	/nfs/dbraw/zinc/06/05/32/563060532.db2.gz	CLTINYAXRIROMY-JOCHJYFZSA-N	-1	3	457.552	1.859	1	30		JDEFHM
Cc1cnsc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028473352	563065646	/nfs/dbraw/zinc/06/56/46/563065646.db2.gz	MPWKVKMEMCVIDI-DYVFJYSZSA-N	-1	3	455.558	1.686	1	30		JDEFHM
C=CCNC(N=N)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2)c(Cl)cc1SCC(N)=O	ZINC000028712896	563077208	/nfs/dbraw/zinc/07/72/08/563077208.db2.gz	HSAAXTODCPMTRI-UHFFFAOYSA-N	-1	3	497.002	1.453	1	30		JDEFHM
CC#C[C@H](C)Oc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)C(C)C)CC2)cc1	ZINC000028861993	563083196	/nfs/dbraw/zinc/08/31/96/563083196.db2.gz	UFOCAFMHHPCHKN-KRWDZBQOSA-N	-1	3	486.612	1.577	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(S(=O)(=O)C(C)C)C2)cc1	ZINC000028951503	563087226	/nfs/dbraw/zinc/08/72/26/563087226.db2.gz	YFKTVOCECCSHLJ-FQEVSTJZSA-N	-1	3	472.585	1.188	1	30		JDEFHM
O=C(N[O-])C1(CS(=O)(=O)N2CC=C(c3ccccc3)CC2)CCN(C(=O)O[C@H]2CCOC2)CC1	ZINC000029039807	563091159	/nfs/dbraw/zinc/09/11/59/563091159.db2.gz	ZKFYETVHOLUSNG-FQEVSTJZSA-N	-1	3	493.582	1.619	1	30		JDEFHM
O=C(O[C@H]1CCOC1)N1CCC(CS(=O)(=O)N2CC[C@H](c3ccccc3)C2)(C(=O)N[O-])CC1	ZINC000029039776	563091199	/nfs/dbraw/zinc/09/11/99/563091199.db2.gz	AFJYAUBLMRWZHB-OALUTQOASA-N	-1	3	481.571	1.319	1	30		JDEFHM
CNC(=O)[C@@H]1CCCN(C(C)=O)C[C@@H](C)CO[C@H](C(=O)N[O-])[C@@H](CCCc2ccccc2)C(=O)N1	ZINC000029226102	563098954	/nfs/dbraw/zinc/09/89/54/563098954.db2.gz	JYPUUSQERHUIDJ-GFRNBQLOSA-N	-1	3	490.601	1.025	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)N(CC)CC)CC2)cc1	ZINC000034801903	563115868	/nfs/dbraw/zinc/11/58/68/563115868.db2.gz	RBTIHKNARDNLNU-UHFFFAOYSA-N	-1	3	465.572	1.912	1	30		JDEFHM
CN(C(=O)c1ccccc1)[C@@H]1CN[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)N[O-])C1	ZINC000045319172	563187835	/nfs/dbraw/zinc/18/78/35/563187835.db2.gz	XYYDUHNDMZDPKL-CMOCDZPBSA-N	-1	3	450.539	1.627	1	30		JDEFHM
COC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc([N+](=O)[O-])cc1	ZINC000058568322	563207440	/nfs/dbraw/zinc/20/74/40/563207440.db2.gz	WQYFGBQPOPOTFF-WYZVOEKRSA-N	-1	3	477.363	1.275	1	30		JDEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)N[O-]	ZINC000010450208	562957236	/nfs/dbraw/zinc/95/72/36/562957236.db2.gz	GWQRQVFEMGHPMD-UHFFFAOYSA-N	-1	3	455.317	1.987	1	30		JDEFHM
CC1(C)NC(=O)N(C[C@@H](CS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C1=O	ZINC000013471922	562965614	/nfs/dbraw/zinc/96/56/14/562965614.db2.gz	YJNJISQXBXDEOV-SFHVURJKSA-N	-1	3	470.507	1.546	1	30		JDEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013539427	562973097	/nfs/dbraw/zinc/97/30/97/562973097.db2.gz	SBPPAFQZTZUQSW-HRAATJIYSA-N	-1	3	461.540	1.689	1	30		JDEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCN2CCOCC2)C(=O)N[O-])cc1	ZINC000013764160	562990419	/nfs/dbraw/zinc/99/04/19/562990419.db2.gz	MAVRREDBECZBFO-OAQYLSRUSA-N	-1	3	463.556	1.482	1	30		JDEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](CCS(C)(=O)=O)C(=O)N[O-])cc1	ZINC000013764136	562990492	/nfs/dbraw/zinc/99/04/92/562990492.db2.gz	CFHYUBUDEMRKRQ-GOSISDBHSA-N	-1	3	456.542	1.195	1	30		JDEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NC(=O)c1ccc2ncccc2c1)C(=O)N[O-])C(C)(C)C	ZINC000013802377	562994390	/nfs/dbraw/zinc/99/43/90/562994390.db2.gz	RGDWYVDESWNRAO-YZGWKJHDSA-N	-1	3	485.585	1.778	1	30		JDEFHM
CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@H](C(=O)N[O-])C1	ZINC000013804690	562994953	/nfs/dbraw/zinc/99/49/53/562994953.db2.gz	JCCRVIZMNYULMQ-SFHVURJKSA-N	-1	3	456.565	1.508	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)COC)C[C@@H]2C(=O)N[O-])cc1	ZINC000013917088	563004693	/nfs/dbraw/zinc/00/46/93/563004693.db2.gz	VVCQPDVATXLSSI-OAQYLSRUSA-N	-1	3	487.534	1.147	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)N[C@H](C)c2ccccc2)C(=O)N[O-])cc1	ZINC000026176783	563023539	/nfs/dbraw/zinc/02/35/39/563023539.db2.gz	REHPNGSPEHIGJK-DNVCBOLYSA-N	-1	3	464.544	1.688	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)Nc2cccc(F)c2)C(=O)N[O-])cc1	ZINC000026176772	563023600	/nfs/dbraw/zinc/02/36/00/563023600.db2.gz	IICHCEVVFRRQLC-QGZVFWFLSA-N	-1	3	454.480	1.589	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=S)NC2CCCCC2)C(=O)N[O-])cc1	ZINC000026177231	563023646	/nfs/dbraw/zinc/02/36/46/563023646.db2.gz	SVGRJJNICXPSGW-QGZVFWFLSA-N	-1	3	458.606	1.425	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=S)NCc2ccccc2)C(=O)N[O-])cc1	ZINC000026177327	563023665	/nfs/dbraw/zinc/02/36/65/563023665.db2.gz	PXNMBYQMLWBPBG-GOSISDBHSA-N	-1	3	466.585	1.292	1	30		JDEFHM
C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026501293	563029131	/nfs/dbraw/zinc/02/91/31/563029131.db2.gz	UTLOAECKFHAZPW-GKCIPKSASA-N	-1	3	454.483	1.376	1	30		JDEFHM
C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026501290	563029180	/nfs/dbraw/zinc/02/91/80/563029180.db2.gz	UTLOAECKFHAZPW-UAOJZALGSA-N	-1	3	454.483	1.376	1	30		JDEFHM
C[C@@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026501285	563029200	/nfs/dbraw/zinc/02/92/00/563029200.db2.gz	UTLOAECKFHAZPW-VOBQZIQPSA-N	-1	3	454.483	1.376	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)N[C@@H](C)c3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000026580147	563031393	/nfs/dbraw/zinc/03/13/93/563031393.db2.gz	YEKVTHFNPVYQBX-OXJNMPFZSA-N	-1	3	476.555	1.736	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCCN(C(=O)N[C@@H](C)c3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000026580148	563031415	/nfs/dbraw/zinc/03/14/15/563031415.db2.gz	YEKVTHFNPVYQBX-JXFKEZNVSA-N	-1	3	476.555	1.736	1	30		JDEFHM
CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@@H](N)CS)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000026664208	563032913	/nfs/dbraw/zinc/03/29/13/563032913.db2.gz	CIUXWRBSDIAJKR-BZSNNMDCSA-N	-1	3	455.646	1.630	1	30		JDEFHM
CSCC[C@H](NC(=O)[C@H](CCCNC(=O)[C@@H](N)CS)Cc1cc(F)cc(F)c1)C(=O)[O-]	ZINC000026668045	563033125	/nfs/dbraw/zinc/03/31/25/563033125.db2.gz	QAJIHSCJMHBCFI-COXVUDFISA-N	-1	3	477.599	1.600	1	30		JDEFHM
CSCC[C@H](NC(=O)[C@H](CCCNC(=O)[C@@H](N)CS)Cc1ccc(C)cc1)C(=O)[O-]	ZINC000026675474	563033565	/nfs/dbraw/zinc/03/35/65/563033565.db2.gz	CIUXWRBSDIAJKR-SQNIBIBYSA-N	-1	3	455.646	1.630	1	30		JDEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1csc2ccccc12)[C@H](O)C(=O)N[O-]	ZINC000026843788	563037060	/nfs/dbraw/zinc/03/70/60/563037060.db2.gz	SKXBXHXMSFHHJI-HBFSDRIKSA-N	-1	3	455.536	1.400	1	30		JDEFHM
CC(=O)N([O-])CCCCCNC(=O)c1cccc(C(=O)NCCCCCN(O)C(C)=O)n1	ZINC000026976001	563038466	/nfs/dbraw/zinc/03/84/66/563038466.db2.gz	UWYGRWRWWBGBFH-UHFFFAOYSA-N	-1	3	451.524	1.357	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC[C@@H]2C(=O)N[O-])cc1	ZINC000028333918	563059814	/nfs/dbraw/zinc/05/98/14/563059814.db2.gz	CCGWFLCBYDXLBZ-OAQYLSRUSA-N	-1	3	471.535	1.500	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC[C@H]2C(=O)N[O-])cc1	ZINC000028333925	563059823	/nfs/dbraw/zinc/05/98/23/563059823.db2.gz	CCGWFLCBYDXLBZ-NRFANRHFSA-N	-1	3	471.535	1.500	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000028338268	563060121	/nfs/dbraw/zinc/06/01/21/563060121.db2.gz	SMRKDKVRUIEVHG-OAQYLSRUSA-N	-1	3	471.535	1.500	1	30		JDEFHM
COc1ccccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@@H]2C(=O)N[O-])cc1	ZINC000028389241	563063525	/nfs/dbraw/zinc/06/35/25/563063525.db2.gz	NFUSRQFYPZGOLU-PZJWPPBQSA-N	-1	3	450.513	1.684	1	30		JDEFHM
Cc1nscc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)N[O-])cc1	ZINC000028467845	563065134	/nfs/dbraw/zinc/06/51/34/563065134.db2.gz	GTDCFHNWSMUQSI-PBHICJAKSA-N	-1	3	455.558	1.686	1	30		JDEFHM
CN(C)CCNC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000028521765	563066394	/nfs/dbraw/zinc/06/63/94/563066394.db2.gz	VGWPECDPFUDBHS-UHFFFAOYSA-N	-1	3	457.603	1.394	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)C3CCCC3)CC2)cc1	ZINC000028816880	563079553	/nfs/dbraw/zinc/07/95/53/563079553.db2.gz	VGMJDHAFWAQDDY-UHFFFAOYSA-N	-1	3	498.623	1.722	1	30		JDEFHM
CC#CCNc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(S(=O)(=O)C(C)C)C2)cc1	ZINC000028951532	563087183	/nfs/dbraw/zinc/08/71/83/563087183.db2.gz	RZAVXBHMHDOVTM-HXUWFJFHSA-N	-1	3	471.601	1.221	1	30		JDEFHM
C=CCNC(=O)[C@H]1N[C@@H](C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc([O-])c2)SC1(C)C	ZINC000028967223	563089503	/nfs/dbraw/zinc/08/95/03/563089503.db2.gz	LIIMBCAKHOJZCD-IXGWMPLNSA-N	-1	3	497.617	1.775	1	30		JDEFHM
COc1ccccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@H]2C(=O)N[O-])cc1	ZINC000028973757	563089871	/nfs/dbraw/zinc/08/98/71/563089871.db2.gz	NFUSRQFYPZGOLU-TZIWHRDSSA-N	-1	3	450.513	1.684	1	30		JDEFHM
O=C(N[O-])C1(CS(=O)(=O)N2CC=C(c3ccccc3)C2)CCN(C(=O)O[C@H]2CCOC2)CC1	ZINC000029039767	563091143	/nfs/dbraw/zinc/09/11/43/563091143.db2.gz	ODKWXUUQJAZOOR-IBGZPJMESA-N	-1	3	479.555	1.229	1	30		JDEFHM
O=C(N[O-])C1(CS(=O)(=O)N2CCC(c3ccccc3)CC2)CCN(C(=O)O[C@H]2CCOC2)CC1	ZINC000029039815	563091276	/nfs/dbraw/zinc/09/12/76/563091276.db2.gz	IDSXRTDVRWTZOK-FQEVSTJZSA-N	-1	3	495.598	1.709	1	30		JDEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000033999582	563111555	/nfs/dbraw/zinc/11/15/55/563111555.db2.gz	CJZYEUWWKSOBJP-UHFFFAOYSA-N	-1	3	456.542	1.228	1	30		JDEFHM
COc1ccc([C@@H](C(=O)N2CCCCC2)[C@H](CN2C(=O)N(C)C(C)(C)C2=O)C(=O)N[O-])cc1	ZINC000034801777	563115712	/nfs/dbraw/zinc/11/57/12/563115712.db2.gz	MHYRZRJQEBSULL-ZWKOTPCHSA-N	-1	3	460.531	1.586	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)CCOC)CC2)cc1	ZINC000034801892	563115849	/nfs/dbraw/zinc/11/58/49/563115849.db2.gz	LIJQQAFTSYEDRO-UHFFFAOYSA-N	-1	3	452.529	1.013	1	30		JDEFHM
C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C(=O)CCc2ccc3occc3c2)c1[O-]	ZINC000039109741	563136144	/nfs/dbraw/zinc/13/61/44/563136144.db2.gz	ZOUMPZOCFNRRFL-DDLBMNSQSA-N	-1	3	484.501	1.861	1	30		JDEFHM
COc1ccc(CCC(=O)N2C[C@@H](NC(=O)/C=C/c3ccccc3)C[C@H]2C(=O)N[O-])cc1OC	ZINC000040404653	563139843	/nfs/dbraw/zinc/13/98/43/563139843.db2.gz	XOPFIARROALHID-UNERYHBUSA-N	-1	3	467.522	1.941	1	30		JDEFHM
CCCCCCCCSC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000043352794	563169584	/nfs/dbraw/zinc/16/95/84/563169584.db2.gz	CTSQVSMSXPYTMI-PNPHCFGESA-N	-1	3	459.634	1.662	1	30		JDEFHM
CCCCCCCCSC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000043352796	563169594	/nfs/dbraw/zinc/16/95/94/563169594.db2.gz	CTSQVSMSXPYTMI-HNAOBUKPSA-N	-1	3	459.634	1.662	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N[C@H](CCNC(=O)OCc2ccccc2)C(=O)N[O-])cc1	ZINC000049068563	563201000	/nfs/dbraw/zinc/20/10/00/563201000.db2.gz	YAYGKNVDBLFWFW-HXUWFJFHSA-N	-1	3	475.523	1.558	1	30		JDEFHM
O=C(N[O-])[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1	ZINC000049072373	563201492	/nfs/dbraw/zinc/20/14/92/563201492.db2.gz	MTDVSXPXWCWOED-OAHLLOKOSA-N	-1	3	482.312	1.288	1	30		JDEFHM
C[C@H]1O[C@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c([O-])ccc([C@H]3C[C@@H]([N+](C)(C)[O-])[C@H](O)[C@@H](C)O3)c1C2=O	ZINC000083921509	717135713	/nfs/dbraw/zinc/13/57/13/717135713.db2.gz	AFVFOGCWMMKRCH-NUZDWYNISA-N	-1	3	473.478	1.324	1	30	in-vitro	JDEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2nccnc12)C(=O)N[O-])C(C)(C)C	ZINC000003821617	562929307	/nfs/dbraw/zinc/92/93/07/562929307.db2.gz	VQTLMFHSJXBYBD-LSTHTHJFSA-N	-1	3	473.574	1.960	1	30		JDEFHM
O=c1[n-]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000005812106	562935007	/nfs/dbraw/zinc/93/50/07/562935007.db2.gz	UQRINVXVCLEHJN-ILXRZTDVSA-N	-1	3	464.318	1.615	1	30		JDEFHM
CC1(C)NC(=O)N(C[C@@H](CS(=O)(=O)c2ccc(-c3cccc(CC#N)c3)cc2)N([O-])C=O)C1=O	ZINC000013471918	562965676	/nfs/dbraw/zinc/96/56/76/562965676.db2.gz	IAPIGLKJGZQTIG-IBGZPJMESA-N	-1	3	484.534	1.740	1	30		JDEFHM
CC(C)COCCCOc1ccc(S(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)N[O-])cc1	ZINC000013472424	562965921	/nfs/dbraw/zinc/96/59/21/562965921.db2.gz	HRPWXKLFOMXCDQ-HXUWFJFHSA-N	-1	3	464.544	1.539	1	30		JDEFHM
COc1ccc(S(=O)(=O)[C@@](C)(Cc2ccc(OCCN3CCOCC3)cc2)C(=O)N[O-])cc1	ZINC000013520887	562970828	/nfs/dbraw/zinc/97/08/28/562970828.db2.gz	KDJZFDKCOPXERM-QHCPKHFHSA-N	-1	3	478.567	1.687	1	30		JDEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3cc(F)ccc3C)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013539439	562973109	/nfs/dbraw/zinc/97/31/09/562973109.db2.gz	FTFANCIOHXJKDG-YCRPNKLZSA-N	-1	3	479.530	1.828	1	30		JDEFHM
Cc1ccccc1COc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)[C@@H]2C(=O)N[O-])cc1	ZINC000013553162	562973244	/nfs/dbraw/zinc/97/32/44/562973244.db2.gz	VSZRGCMKCYLOIV-OXJNMPFZSA-N	-1	3	497.595	1.102	1	30		JDEFHM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)NCc1ccccc1)CC(=O)N[O-]	ZINC000013741986	562987224	/nfs/dbraw/zinc/98/72/24/562987224.db2.gz	ALDQBTGTDJBFBQ-RTWAWAEBSA-N	-1	3	468.554	1.458	1	30		JDEFHM
O=C(N[O-])[C@H]1Cc2c([nH]c3ccccc32)CN1S(=O)(=O)c1ccc(N2CCOCC2)cc1	ZINC000013797685	562993449	/nfs/dbraw/zinc/99/34/49/562993449.db2.gz	PSFVLJSHQMPQKQ-OAQYLSRUSA-N	-1	3	456.524	1.626	1	30		JDEFHM
CCCN(CC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](C(=O)N[O-])C1	ZINC000013804723	562994971	/nfs/dbraw/zinc/99/49/71/562994971.db2.gz	PNVLBMRGQMDPBJ-GOSISDBHSA-N	-1	3	454.549	1.118	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)C3CC3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013818616	562996989	/nfs/dbraw/zinc/99/69/89/562996989.db2.gz	BLQAAMGUGMNRQN-JOCHJYFZSA-N	-1	3	483.546	1.910	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)NCCc2cccs2)C(=O)N[O-])cc1	ZINC000026187444	563024106	/nfs/dbraw/zinc/02/41/06/563024106.db2.gz	WSRZEXXFVNKSRF-KRWDZBQOSA-N	-1	3	470.573	1.231	1	30		JDEFHM
C[C@H](O)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[O-]	ZINC000026501288	563029110	/nfs/dbraw/zinc/02/91/10/563029110.db2.gz	UTLOAECKFHAZPW-PNHOKKKMSA-N	-1	3	454.483	1.376	1	30		JDEFHM
COc1ccc(S(=O)(=O)N(C)C[C@H](C(=O)N[O-])[C@@H](CC2CCCC2)C(=O)N2CCOCC2)cc1	ZINC000026723439	563033953	/nfs/dbraw/zinc/03/39/53/563033953.db2.gz	GWEITLSXCOXESW-RTWAWAEBSA-N	-1	3	497.614	1.493	1	30		JDEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[S@@](C)=O	ZINC000027086915	563039389	/nfs/dbraw/zinc/03/93/89/563039389.db2.gz	YYNSCEZITFRMIS-JWVKJFLWSA-N	-1	3	464.588	1.248	1	30		JDEFHM
CCCCOc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@@H](O)CC(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000027554145	563046177	/nfs/dbraw/zinc/04/61/77/563046177.db2.gz	FMYMFUHWQBEETO-IPELMVKDSA-N	-1	3	471.576	1.026	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)N[O-])cc1	ZINC000028335466	563059925	/nfs/dbraw/zinc/05/99/25/563059925.db2.gz	DKBDATWDEJHFQS-SFHVURJKSA-N	-1	3	467.544	1.594	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000028339454	563060216	/nfs/dbraw/zinc/06/02/16/563060216.db2.gz	BLVHWPCGFOTRGU-JOCHJYFZSA-N	-1	3	457.552	1.859	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@H]2C(=O)N[O-])cc1	ZINC000028344402	563060615	/nfs/dbraw/zinc/06/06/15/563060615.db2.gz	JVVFIHLIADCISB-SFHVURJKSA-N	-1	3	467.544	1.594	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)C[C@H]2C(=O)N[O-])cc1	ZINC000028528216	563068248	/nfs/dbraw/zinc/06/82/48/563068248.db2.gz	QFTWPDUNHCKGKX-KRWDZBQOSA-N	-1	3	463.537	1.171	1	30		JDEFHM
CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCCCCO)cc2)[C@H]1C(=O)N[O-]	ZINC000028571033	563070874	/nfs/dbraw/zinc/07/08/74/563070874.db2.gz	ZWHIVWLHYJCFFA-SFHVURJKSA-N	-1	3	456.586	1.622	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)C(C)(C)C)CC2)cc1	ZINC000028816863	563079576	/nfs/dbraw/zinc/07/95/76/563079576.db2.gz	ZYKVSIDVBIFMGD-UHFFFAOYSA-N	-1	3	486.612	1.578	1	30		JDEFHM
CCCCOc1ccc(S(=O)(=O)N2C[C@H](N3C(=O)CN(CCC)C3=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000028975103	563090136	/nfs/dbraw/zinc/09/01/36/563090136.db2.gz	JRJPXBUCHQFJHU-CRAIPNDOSA-N	-1	3	482.559	1.177	1	30		JDEFHM
C[C@H]1O[C@H](O[C@]23C(=O)C[C@](C)(O)C[C@@]2(O)C=CC2=C3C(=O)c3cccc([O-])c3C2=O)CC[C@H]1O	ZINC000031425337	563108066	/nfs/dbraw/zinc/10/80/66/563108066.db2.gz	DSMQDARJKCLOPP-IHCLWORPSA-N	-1	3	470.474	1.124	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3ccncc3)CC2)cc1	ZINC000034801888	563115875	/nfs/dbraw/zinc/11/58/75/563115875.db2.gz	SFHMNFHDIRPFKM-UHFFFAOYSA-N	-1	3	471.535	1.685	1	30		JDEFHM
CCCCCCCCSC[S@@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000043226377	563168940	/nfs/dbraw/zinc/16/89/40/563168940.db2.gz	CTSQVSMSXPYTMI-YDBINQNNSA-N	-1	3	459.634	1.662	1	30		JDEFHM
C[C@@H]1CCC([O-])=C(O)C(=O)C=CCc2cc(OCCn3ccnn3)cc(O)c2C(=O)O[C@H]1C	ZINC000049089499	563201952	/nfs/dbraw/zinc/20/19/52/563201952.db2.gz	UQRPVZHPDUQBBR-QLELARBRSA-N	-1	3	457.483	1.508	1	30		JDEFHM
C[C@@H]1CCC(=O)C(O)=C([O-])C=CCc2cc(OCCn3ccnn3)cc(O)c2C(=O)O[C@H]1C	ZINC000049089499	563201953	/nfs/dbraw/zinc/20/19/53/563201953.db2.gz	UQRPVZHPDUQBBR-QLELARBRSA-N	-1	3	457.483	1.508	1	30		JDEFHM
CO[C@]12[C@@H]3N[C@@H]3CN1c1c(c([O-])c(N=C3C=CC(=NC(C)=O)C=C3)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053074270	563205051	/nfs/dbraw/zinc/20/50/51/563205051.db2.gz	ZMMXQWSWJDHDPV-CAPVFGHTSA-N	-1	3	467.482	1.288	1	30		JDEFHM
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccccc2S(C)(=O)=O)cc1	ZINC000060049830	563209421	/nfs/dbraw/zinc/20/94/21/563209421.db2.gz	CZAPPXSCRRMUPJ-UHFFFAOYSA-N	-1	3	456.542	1.228	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC[C@H]2C(=O)N[O-])cc1	ZINC000261085365	581095329	/nfs/dbraw/zinc/09/53/29/581095329.db2.gz	CLTINYAXRIROMY-QFIPXVFZSA-N	-1	3	457.552	1.859	1	30		JDEFHM
CCOC(=O)[C@@](Br)(C(N)=O)[C@]1([O-])OC(c2ccccc2)=C(Br)C1=O	ZINC000001663146	562923103	/nfs/dbraw/zinc/92/31/03/562923103.db2.gz	HNUYMPXXEANFOK-LSDHHAIUSA-N	-1	3	463.078	1.220	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)Cc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000003939351	562930260	/nfs/dbraw/zinc/93/02/60/562930260.db2.gz	SJJAJPMVTRAZSX-LJQANCHMSA-N	-1	3	462.528	1.128	1	30		JDEFHM
CC1(C)NC(=O)N(C[C@H](CS(=O)(=O)c2ccc(-c3cccc(CC#N)c3)cc2)N([O-])C=O)C1=O	ZINC000013471919	562965621	/nfs/dbraw/zinc/96/56/21/562965621.db2.gz	IAPIGLKJGZQTIG-LJQANCHMSA-N	-1	3	484.534	1.740	1	30		JDEFHM
CC1(C)NC(=O)N(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)N([O-])C=O)C1=O	ZINC000013471924	562965670	/nfs/dbraw/zinc/96/56/70/562965670.db2.gz	RZTCAABKSWEFOJ-INIZCTEOSA-N	-1	3	486.506	1.671	1	30		JDEFHM
CCOCCCOc1ccc(S(=O)(=O)N2Cc3cc(O)c(O)cc3C[C@@H]2C(=O)N[O-])cc1	ZINC000013472394	562965932	/nfs/dbraw/zinc/96/59/32/562965932.db2.gz	MEOHVFFOJHEBAU-GOSISDBHSA-N	-1	3	466.512	1.524	1	30		JDEFHM
CCCCCCN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)[C@@H](C(=O)N[O-])C1	ZINC000013804687	562994956	/nfs/dbraw/zinc/99/49/56/562994956.db2.gz	JCCRVIZMNYULMQ-GOSISDBHSA-N	-1	3	456.565	1.508	1	30		JDEFHM
CCCCOc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)CN(CCC)C3=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000013835771	563001452	/nfs/dbraw/zinc/00/14/52/563001452.db2.gz	JRJPXBUCHQFJHU-MAUKXSAKSA-N	-1	3	482.559	1.177	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)N[C@H]2C[C@@H]2c2ccccc2)C(=O)N[O-])cc1	ZINC000026184318	563023990	/nfs/dbraw/zinc/02/39/90/563023990.db2.gz	OMHDLWHIJQAYBQ-AABGKKOBSA-N	-1	3	476.555	1.483	1	30		JDEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2ccncc2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579608	563031328	/nfs/dbraw/zinc/03/13/28/563031328.db2.gz	LBRJOSQRLMLOKR-ZCNNSNEGSA-N	-1	3	491.589	1.657	1	30		JDEFHM
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2cc(F)ccc2c1)[C@H](O)C(=O)N[O-]	ZINC000026936933	563037567	/nfs/dbraw/zinc/03/75/67/563037567.db2.gz	OYZQESBTDIZNIE-HKBOAZHASA-N	-1	3	453.470	1.217	1	30		JDEFHM
O=C(N[O-])C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCS(=O)(=O)CC1	ZINC000026997683	563038927	/nfs/dbraw/zinc/03/89/27/563038927.db2.gz	DUZIIVUARYJPTE-UHFFFAOYSA-N	-1	3	458.489	1.349	1	30		JDEFHM
CCOC(=O)Oc1ccc2c(c1)CN(S(=O)(=O)c1ccc(OC)cc1)[C@H](C(=O)N[O-])C2	ZINC000027519527	563044778	/nfs/dbraw/zinc/04/47/78/563044778.db2.gz	VZEDRBAGPXKVHL-SFHVURJKSA-N	-1	3	450.469	1.852	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(S(=O)(=O)C(C)C)C2)cc1	ZINC000028951501	563087170	/nfs/dbraw/zinc/08/71/70/563087170.db2.gz	YFKTVOCECCSHLJ-HXUWFJFHSA-N	-1	3	472.585	1.188	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@@]2(C(=O)N[O-])CCCN(C(=O)N(CC)CC)C2)cc1	ZINC000028951518	563087176	/nfs/dbraw/zinc/08/71/76/563087176.db2.gz	NSSBNBOQWRPCCV-JOCHJYFZSA-N	-1	3	465.572	1.912	1	30		JDEFHM
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccnc(Cl)c3)cc2)[C@@H]1C(=O)N[O-]	ZINC000028973827	563089934	/nfs/dbraw/zinc/08/99/34/563089934.db2.gz	KHAOJBRQDUCAFK-IEBWSBKVSA-N	-1	3	455.920	1.724	1	30		JDEFHM
CN1CC(=O)N([C@@H]2C[C@H](C(=O)N[O-])N(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)C2)C1=O	ZINC000028975064	563090124	/nfs/dbraw/zinc/09/01/24/563090124.db2.gz	YIYXDKFJIKECAM-RDTXWAMCSA-N	-1	3	474.495	1.010	1	30		JDEFHM
CNC(=O)[C@@H]1CCCN(C(C)=O)CCCCO[C@H](C(=O)N[O-])[C@@H](CCCc2ccccc2)C(=O)N1	ZINC000029229597	563099022	/nfs/dbraw/zinc/09/90/22/563099022.db2.gz	UHNRWKXPDCQTKE-FSSWDIPSSA-N	-1	3	490.601	1.169	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)CCCC)CC2)cc1	ZINC000034801904	563115845	/nfs/dbraw/zinc/11/58/45/563115845.db2.gz	MXMCYIBSFFNNTF-UHFFFAOYSA-N	-1	3	486.612	1.580	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(C(=O)c3ccccc3N)CC2)cc1	ZINC000034801889	563115857	/nfs/dbraw/zinc/11/58/57/563115857.db2.gz	LNPBBURQSUEIHO-UHFFFAOYSA-N	-1	3	485.562	1.873	1	30		JDEFHM
CN1CCN(C(=O)C[C@H]2CC[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)N[O-])C2)CC1	ZINC000040973558	563161561	/nfs/dbraw/zinc/16/15/61/563161561.db2.gz	AVCGYVHCLDMOAW-BVSLBCMMSA-N	-1	3	471.602	1.037	1	30		JDEFHM
CN1C[C@@H](OC(=O)N2CCCCC2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000045317192	563187517	/nfs/dbraw/zinc/18/75/17/563187517.db2.gz	PDNKMRBXZXHUFT-ACRUOGEOSA-N	-1	3	473.574	1.152	1	30		JDEFHM
CN(C(=O)c1ccccc1)[C@H]1CN[C@H](C(=O)N2CC[C@H](c3ccccc3)C2)[C@@H](C(=O)N[O-])C1	ZINC000045319168	563187786	/nfs/dbraw/zinc/18/77/86/563187786.db2.gz	XYYDUHNDMZDPKL-LRSLUSHPSA-N	-1	3	450.539	1.627	1	30		JDEFHM
COc1ccccc1N1CCN(c2ccc(S(=O)(=O)C3(C(=O)N[O-])CCOCC3)cc2)CC1	ZINC000049037118	563199111	/nfs/dbraw/zinc/19/91/11/563199111.db2.gz	INGMGORXRMQEAG-UHFFFAOYSA-N	-1	3	475.567	1.850	1	30		JDEFHM
C=C(C)[C@H]1O[C@@H](Oc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2OC)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000059588402	560082665	/nfs/dbraw/zinc/08/26/65/560082665.db2.gz	JWKKDHRXWNLKKZ-RSBOXOOMSA-N	-1	3	456.447	1.937	1	30	biogenic,in-vitro	JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(C)=O)C[C@H]2C(=O)N[O-])cc1	ZINC000003820773	562929310	/nfs/dbraw/zinc/92/93/10/562929310.db2.gz	PRQWPDFKJBVNKQ-NRFANRHFSA-N	-1	3	457.508	1.520	1	30		JDEFHM
CC1(C)NC(=O)N(C[C@H](CS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)N([O-])C=O)C1=O	ZINC000013471923	562965626	/nfs/dbraw/zinc/96/56/26/562965626.db2.gz	YJNJISQXBXDEOV-GOSISDBHSA-N	-1	3	470.507	1.546	1	30		JDEFHM
CC1(C)NC(=O)N(C[C@H](CS(=O)(=O)c2ccc(Oc3ccc(C#N)cc3)cc2)N([O-])C=O)C1=O	ZINC000013471925	562965631	/nfs/dbraw/zinc/96/56/31/562965631.db2.gz	RZTCAABKSWEFOJ-MRXNPFEDSA-N	-1	3	486.506	1.671	1	30		JDEFHM
COC(=O)C[C@H](C(=O)N[O-])N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535584	562972708	/nfs/dbraw/zinc/97/27/08/562972708.db2.gz	OMASMUPWLCTLKF-MRXNPFEDSA-N	-1	3	466.468	1.052	1	30		JDEFHM
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2F)CC1)[C@H](O)C(=O)N[O-]	ZINC000013587677	562977281	/nfs/dbraw/zinc/97/72/81/562977281.db2.gz	QFHJPHQROVDFAZ-UXPWSPDFSA-N	-1	3	464.538	1.138	1	30		JDEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CCN2CCOCC2)C(=O)N[O-])cc1	ZINC000013764157	562990446	/nfs/dbraw/zinc/99/04/46/562990446.db2.gz	MAVRREDBECZBFO-NRFANRHFSA-N	-1	3	463.556	1.482	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(OC)c3)C[C@@H]2C(=O)N[O-])cc1	ZINC000013804719	562994928	/nfs/dbraw/zinc/99/49/28/562994928.db2.gz	GUHYZHHGWPARCR-GOSISDBHSA-N	-1	3	464.500	1.116	1	30		JDEFHM
CN1CCN(C(=O)CC=C2C(=O)c3c([O-])cccc3C(=O)C2CCC(=O)N2CCN(C)CC2)CC1	ZINC000013861891	563002655	/nfs/dbraw/zinc/00/26/55/563002655.db2.gz	SMHFLHWDDIGZID-UHFFFAOYSA-N	-1	3	482.581	1.176	1	30		JDEFHM
CNC(=O)[C@@H]1Cc2cn(c3ccccc23)CCCCO[C@H](C(=O)N[O-])[C@@H](CC(C)C)C(=O)N1	ZINC000013863579	563003436	/nfs/dbraw/zinc/00/34/36/563003436.db2.gz	URNHVXGRPYRYOM-DYXWJJEUSA-N	-1	3	458.559	1.761	1	30		JDEFHM
COc1ccc(S(=O)(=O)N(C)[C@H](CCCNC(=O)Nc2ccccc2)C(=O)N[O-])cc1	ZINC000026182824	563023842	/nfs/dbraw/zinc/02/38/42/563023842.db2.gz	QFIRIGXNWWQSQQ-GOSISDBHSA-N	-1	3	450.517	1.792	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)N[C@H](C)c2ccccc2)C(=O)N[O-])cc1	ZINC000026185300	563023996	/nfs/dbraw/zinc/02/39/96/563023996.db2.gz	REHPNGSPEHIGJK-BEFAXECRSA-N	-1	3	464.544	1.688	1	30		JDEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2ccccn2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026578440	563031066	/nfs/dbraw/zinc/03/10/66/563031066.db2.gz	OCVGAOBGWXWLDR-ZCNNSNEGSA-N	-1	3	491.589	1.657	1	30		JDEFHM
C[C@@](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NC(=O)CN1CCCC1)C(=O)N[O-]	ZINC000026648717	563031957	/nfs/dbraw/zinc/03/19/57/563031957.db2.gz	WGRMVARLTSCXRH-QFIPXVFZSA-N	-1	3	461.540	1.729	1	30		JDEFHM
CSCC[C@H](NC(=O)[C@@H](CCCNC(=O)[C@@H](N)CS)Cc1cc(F)cc(F)c1)C(=O)[O-]	ZINC000026666198	563033037	/nfs/dbraw/zinc/03/30/37/563033037.db2.gz	QAJIHSCJMHBCFI-JQFCIGGWSA-N	-1	3	477.599	1.600	1	30		JDEFHM
COc1ccc(C[C@@H](CCCNC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000026674948	563033570	/nfs/dbraw/zinc/03/35/70/563033570.db2.gz	XSAVTNXMPFIQMO-NJAFHUGGSA-N	-1	3	471.645	1.330	1	30		JDEFHM
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1sc2ccccc2c1Cl)[C@H](O)C(=O)N[O-]	ZINC000026841185	563036817	/nfs/dbraw/zinc/03/68/17/563036817.db2.gz	CDYLWJRGXDOWKJ-VCBZYWHSSA-N	-1	3	475.954	1.793	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccs3)C[C@@H]2C(=O)N[O-])cc1	ZINC000028127348	563057022	/nfs/dbraw/zinc/05/70/22/563057022.db2.gz	AXPBXFSDSKBQDG-GOSISDBHSA-N	-1	3	477.564	1.561	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000028335459	563059963	/nfs/dbraw/zinc/05/99/63/563059963.db2.gz	DKBDATWDEJHFQS-GOSISDBHSA-N	-1	3	467.544	1.594	1	30		JDEFHM
CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(NCC#CCO)cc2)(C(=O)N[O-])CC1	ZINC000028861976	563083171	/nfs/dbraw/zinc/08/31/71/563083171.db2.gz	HPBWNXRDTAWPAP-UHFFFAOYSA-N	-1	3	481.571	1.391	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(C(=O)N(CC)CC)C2)cc1	ZINC000028951520	563087149	/nfs/dbraw/zinc/08/71/49/563087149.db2.gz	NSSBNBOQWRPCCV-QFIPXVFZSA-N	-1	3	465.572	1.912	1	30		JDEFHM
O=C(N[O-])c1cnc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)s1	ZINC000028963445	563089208	/nfs/dbraw/zinc/08/92/08/563089208.db2.gz	PUEIPAZPNFIMBW-UHFFFAOYSA-N	-1	3	452.436	1.672	1	30		JDEFHM
CNC(=O)[C@@H]1CCCN(C(C)=O)C[C@H](C)CO[C@H](C(=O)N[O-])[C@@H](CCCc2ccccc2)C(=O)N1	ZINC000029226108	563098969	/nfs/dbraw/zinc/09/89/69/563098969.db2.gz	JYPUUSQERHUIDJ-XGARDCMYSA-N	-1	3	490.601	1.025	1	30		JDEFHM
C=C1C[C@@H](C(=O)NCc2ccc(C(=N)N)nc2)N(C(=O)[C@@H](CC2CCCCC2)NCC(=O)[O-])C1	ZINC000036107666	563122197	/nfs/dbraw/zinc/12/21/97/563122197.db2.gz	YYKJGIBDZMLXAM-UXHICEINSA-N	-1	3	470.574	1.152	1	30		JDEFHM
C=C1CCN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)[O-])[C@@H]1C(=O)NCc1ccc(C(=N)N)nc1	ZINC000036107673	563122282	/nfs/dbraw/zinc/12/22/82/563122282.db2.gz	XVOULTOAJAYSLM-CTNGQTDRSA-N	-1	3	470.574	1.152	1	30		JDEFHM
O=C(N[O-])[C@H](CCCNS(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000040973923	563161650	/nfs/dbraw/zinc/16/16/50/563161650.db2.gz	AUJFRDPIKGEOPW-INIZCTEOSA-N	-1	3	496.394	1.904	1	30		JDEFHM
O=C(C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1)N1CCOCC1	ZINC000040976177	563162044	/nfs/dbraw/zinc/16/20/44/563162044.db2.gz	DSPHOALBCOPTJE-GIVPXCGWSA-N	-1	3	458.559	1.122	1	30		JDEFHM
COc1cccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)c1	ZINC000049045183	563199267	/nfs/dbraw/zinc/19/92/67/563199267.db2.gz	RMMYIAVIROFVLC-UHFFFAOYSA-N	-1	3	475.567	1.850	1	30		JDEFHM
COc1ccc(N2CCN(c3ccc(S(=O)(=O)C4(C(=O)N[O-])CCOCC4)cc3)CC2)cc1	ZINC000049045621	563199328	/nfs/dbraw/zinc/19/93/28/563199328.db2.gz	QQPOIMHFFPBDQM-UHFFFAOYSA-N	-1	3	475.567	1.850	1	30		JDEFHM
COC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1OC(C)(C)O[C@H]1C(=O)N[O-])Oc1ccc(OC)cc1	ZINC000058660348	563208656	/nfs/dbraw/zinc/20/86/56/563208656.db2.gz	HOPIGABLXFAXMU-WZUOACQESA-N	-1	3	462.392	1.375	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000253636819	581093780	/nfs/dbraw/zinc/09/37/80/581093780.db2.gz	BLVHWPCGFOTRGU-QFIPXVFZSA-N	-1	3	457.552	1.859	1	30		JDEFHM
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c([O-])ccc([C@H]3C[C@@H]([N+](C)(C)[O-])[C@H](O)[C@@H](C)O3)c1C2=O	ZINC000083921517	717135756	/nfs/dbraw/zinc/13/57/56/717135756.db2.gz	AFVFOGCWMMKRCH-HNWASVEASA-N	-1	3	473.478	1.324	1	30	in-vitro	JDEFHM
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c([O-])ccc([C@@H]3C[C@@H]([N+](C)(C)[O-])[C@H](O)[C@@H](C)O3)c1C2=O	ZINC000083921519	717135764	/nfs/dbraw/zinc/13/57/64/717135764.db2.gz	AFVFOGCWMMKRCH-HVGHXSINSA-N	-1	3	473.478	1.324	1	30	in-vitro	JDEFHM
C[C@H]1O[C@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c([O-])ccc([C@@H]3C[C@@H]([N+](C)(C)[O-])[C@H](O)[C@@H](C)O3)c1C2=O	ZINC000083921514	717135817	/nfs/dbraw/zinc/13/58/17/717135817.db2.gz	AFVFOGCWMMKRCH-XZIZDKGSSA-N	-1	3	473.478	1.324	1	30	in-vitro	JDEFHM
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)C(C)C)CC2)cc1	ZINC000006718474	562938273	/nfs/dbraw/zinc/93/82/73/562938273.db2.gz	CEVLUPQNDFOYSI-UHFFFAOYSA-N	-1	3	472.585	1.188	1	30		JDEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc2cn(C)cn2)C(=O)N[O-])cc1	ZINC000013440796	562963169	/nfs/dbraw/zinc/96/31/69/562963169.db2.gz	BKCCBFLMXACMGW-LJQANCHMSA-N	-1	3	488.522	1.465	1	30		JDEFHM
O=C(N[O-])[C@H]1Cc2cc(O)c(O)cc2CN1S(=O)(=O)c1ccc(Oc2cnccn2)cc1	ZINC000013472395	562965884	/nfs/dbraw/zinc/96/58/84/562965884.db2.gz	ABSGWRLPNHDJHD-MRXNPFEDSA-N	-1	3	458.452	1.301	1	30		JDEFHM
CCCCOCCCOc1ccc(S(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)N[O-])cc1	ZINC000013472416	562965887	/nfs/dbraw/zinc/96/58/87/562965887.db2.gz	RTMCBYJXJHGEMK-HXUWFJFHSA-N	-1	3	464.544	1.683	1	30		JDEFHM
COc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)N[O-])S3(=O)=O)cc(OC)c1	ZINC000013518139	562970668	/nfs/dbraw/zinc/97/06/68/562970668.db2.gz	APCYYZKHCZUJGB-CYBMUJFWSA-N	-1	3	451.501	1.593	1	30		JDEFHM
COC(=O)CC[C@H](C(=O)N[O-])N(Cc1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535570	562972669	/nfs/dbraw/zinc/97/26/69/562972669.db2.gz	CYXDIIIHHNMFDN-GOSISDBHSA-N	-1	3	495.510	1.930	1	30		JDEFHM
COC(=O)CC[C@H](C(=O)N[O-])N(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535577	562972671	/nfs/dbraw/zinc/97/26/71/562972671.db2.gz	ISCSNODYLBIXPQ-LJQANCHMSA-N	-1	3	466.512	1.722	1	30		JDEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3cncc4ccccc43)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013553159	562973173	/nfs/dbraw/zinc/97/31/73/562973173.db2.gz	GIJWOCNEPGCMND-QMHKHESXSA-N	-1	3	498.561	1.929	1	30		JDEFHM
O=C(N[O-])[C@H]1CN(CC(F)(F)F)CCN1S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1	ZINC000013587235	562977006	/nfs/dbraw/zinc/97/70/06/562977006.db2.gz	QITZRWFHDISBIM-MRXNPFEDSA-N	-1	3	466.457	1.214	1	30		JDEFHM
CCOC(=O)Oc1ccc2c(c1)CN(S(=O)(=O)c1ccc(OC)cc1)[C@@H](C(=O)N[O-])C2	ZINC000013797757	562993420	/nfs/dbraw/zinc/99/34/20/562993420.db2.gz	VZEDRBAGPXKVHL-GOSISDBHSA-N	-1	3	450.469	1.852	1	30		JDEFHM
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@@H](C(=O)N[O-])N(C)S(=O)(=O)c1ccccc1)C(C)(C)C	ZINC000013802373	562994454	/nfs/dbraw/zinc/99/44/54/562994454.db2.gz	RMMUGCXFUHIPQO-FGTMMUONSA-N	-1	3	484.619	1.120	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2C[C@@H](N(Cc3cccnc3)C(=O)C(C)C)C[C@@H]2C(=O)N[O-])cc1	ZINC000013835731	563001426	/nfs/dbraw/zinc/00/14/26/563001426.db2.gz	BGDARAHTNRWTGV-FXAWDEMLSA-N	-1	3	476.555	1.412	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC[C@@H]2C(=O)N[O-])cc1	ZINC000025966614	563020553	/nfs/dbraw/zinc/02/05/53/563020553.db2.gz	XDYZXHJJAIXYOR-LJQANCHMSA-N	-1	3	463.512	1.602	1	30		JDEFHM
NC(=NN1CCOCC1)c1ccc(N2CCC3(CCN(C(=O)CCCC(=O)[O-])CC3)C2=O)cc1	ZINC000026174204	563023448	/nfs/dbraw/zinc/02/34/48/563023448.db2.gz	DJVCGINZWMEFPN-UHFFFAOYSA-N	-1	3	471.558	1.240	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)Nc2cccc(F)c2)C(=O)N[O-])cc1	ZINC000026182301	563023872	/nfs/dbraw/zinc/02/38/72/563023872.db2.gz	IICHCEVVFRRQLC-KRWDZBQOSA-N	-1	3	454.480	1.589	1	30		JDEFHM
NC(=NC(=O)c1ccccc1)c1ccc(N2C[C@@H](CN3CCN(CC(=O)[O-])CC3)OC2=O)cc1	ZINC000026489392	563028529	/nfs/dbraw/zinc/02/85/29/563028529.db2.gz	CHOVOSNYINSVEC-HXUWFJFHSA-N	-1	3	465.510	1.260	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCC(OCc3ccc4c(c3)OCO4)CC2)c(C(=O)[N-]O)c1OC	ZINC000026492959	563028549	/nfs/dbraw/zinc/02/85/49/563028549.db2.gz	DGOJEEWMDRDFIF-UHFFFAOYSA-N	-1	3	494.522	1.921	1	30		JDEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2cccnc2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026578057	563030964	/nfs/dbraw/zinc/03/09/64/563030964.db2.gz	RCOCLHFWXFEYJP-ZCNNSNEGSA-N	-1	3	491.589	1.657	1	30		JDEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NC[C@@H]2CCCO2)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579316	563031166	/nfs/dbraw/zinc/03/11/66/563031166.db2.gz	BLOFXBALQSQAJS-OKYOBFRVSA-N	-1	3	484.594	1.241	1	30		JDEFHM
C[C@](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NC(=O)CN1CCCC1)C(=O)N[O-]	ZINC000026648722	563031929	/nfs/dbraw/zinc/03/19/29/563031929.db2.gz	WGRMVARLTSCXRH-JOCHJYFZSA-N	-1	3	461.540	1.729	1	30		JDEFHM
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccc(F)cc2c1)[C@H](O)C(=O)N[O-]	ZINC000026938937	563037691	/nfs/dbraw/zinc/03/76/91/563037691.db2.gz	GNPAIDLIYRBNSS-HKBOAZHASA-N	-1	3	453.470	1.217	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccc(CO)cc3N(C(C)=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000028378888	563062762	/nfs/dbraw/zinc/06/27/62/563062762.db2.gz	JQGYJNKTRDAQCV-JOCHJYFZSA-N	-1	3	487.534	1.012	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccc(CO)cc3N(C(C)=O)C[C@H]2C(=O)N[O-])cc1	ZINC000028378894	563062821	/nfs/dbraw/zinc/06/28/21/563062821.db2.gz	JQGYJNKTRDAQCV-QFIPXVFZSA-N	-1	3	487.534	1.012	1	30		JDEFHM
CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccncc3Cl)cc2)[C@H]1C(=O)N[O-]	ZINC000028471629	563065421	/nfs/dbraw/zinc/06/54/21/563065421.db2.gz	NAUAIDYHJRWZDQ-KDOFPFPSSA-N	-1	3	469.947	1.970	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)C[C@@H]2C(=O)N[O-])cc1	ZINC000028528215	563068257	/nfs/dbraw/zinc/06/82/57/563068257.db2.gz	QFTWPDUNHCKGKX-QGZVFWFLSA-N	-1	3	463.537	1.171	1	30		JDEFHM
C=CCNC(=O)[C@H]1N[C@H](C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc([O-])c2)SC1(C)C	ZINC000028967218	563089491	/nfs/dbraw/zinc/08/94/91/563089491.db2.gz	LIIMBCAKHOJZCD-JBAWTIAASA-N	-1	3	497.617	1.775	1	30		JDEFHM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(S(C)(=O)=O)C[C@@H]3C(=O)N[O-])cc2)c2ccccc2n1	ZINC000029129300	563096742	/nfs/dbraw/zinc/09/67/42/563096742.db2.gz	YURFZWNLXFKRFO-RBBKRZOGSA-N	-1	3	498.561	1.617	1	30		JDEFHM
CNC(=O)Nc1ccc(S(=O)(=O)N(CCC(=O)N[O-])CCc2ccc(OC)cc2)cc1	ZINC000033999289	563111564	/nfs/dbraw/zinc/11/15/64/563111564.db2.gz	IQANNRMIJPVPMD-UHFFFAOYSA-N	-1	3	450.517	1.575	1	30		JDEFHM
C[C@@H]1CCC([O-])=C(O)C(=O)C=CCc2cc(OCCCS(C)(=O)=O)cc(O)c2C(=O)O[C@H]1C	ZINC000034272250	563112898	/nfs/dbraw/zinc/11/28/98/563112898.db2.gz	YGQOXYJXDGBMNY-NDWAJIIBSA-N	-1	3	482.551	1.651	1	30		JDEFHM
C[C@@H]1CCC(=O)C(O)=C([O-])C=CCc2cc(OCCCS(C)(=O)=O)cc(O)c2C(=O)O[C@H]1C	ZINC000034272250	563112899	/nfs/dbraw/zinc/11/28/99/563112899.db2.gz	YGQOXYJXDGBMNY-NDWAJIIBSA-N	-1	3	482.551	1.651	1	30		JDEFHM
CN([O-])C(=O)c1cc2c(C(=O)NCCN3CCOCC3)cn(Cc3ccc(F)cc3)c2cn1	ZINC000035269200	563119692	/nfs/dbraw/zinc/11/96/92/563119692.db2.gz	MHCLKSSOVBQQCR-UHFFFAOYSA-N	-1	3	455.490	1.747	1	30		JDEFHM
O=C(NCCCOc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCOCC2)cc1)C1CCCCC1	ZINC000038402012	563134235	/nfs/dbraw/zinc/13/42/35/563134235.db2.gz	UKBSDNIYHDAZDN-UHFFFAOYSA-N	-1	3	468.572	1.980	1	30		JDEFHM
O=C(N[O-])[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000040429438	563143346	/nfs/dbraw/zinc/14/33/46/563143346.db2.gz	YPKIDRAXEHHNGA-CQSZACIVSA-N	-1	3	468.340	1.124	1	30		JDEFHM
CN1C[C@H](CC(=O)N2CCCCC2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000040430664	563143646	/nfs/dbraw/zinc/14/36/46/563143646.db2.gz	VOGZLMQCZGOADJ-RRPUWOKSSA-N	-1	3	471.602	1.180	1	30		JDEFHM
CN1CCN(C(=O)C[C@@H]2CC[C@H](C(=O)N3CCN(c4ccccc4)CC3)[C@@H](C(=O)N[O-])C2)CC1	ZINC000040973556	563161551	/nfs/dbraw/zinc/16/15/51/563161551.db2.gz	AVCGYVHCLDMOAW-HJNYFJLDSA-N	-1	3	471.602	1.037	1	30		JDEFHM
CCCCCCCCSC[S@](=O)C[C@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000043226378	563168938	/nfs/dbraw/zinc/16/89/38/563168938.db2.gz	CTSQVSMSXPYTMI-YACXZXOLSA-N	-1	3	459.634	1.662	1	30		JDEFHM
CN1C[C@@H](OC(=O)N2CCCCCC2)C[C@H](C(=O)N[O-])[C@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000045287739	563184315	/nfs/dbraw/zinc/18/43/15/563184315.db2.gz	PFMDDCHUGSRIJN-FKBYEOEOSA-N	-1	3	487.601	1.542	1	30		JDEFHM
COc1ccc(-c2c(C)c(=O)[n-]c(-c3ccc4c(n3)C(=O)C(N)=C(OC)C4=O)c2N)c(O)c1OC	ZINC000014717342	560224820	/nfs/dbraw/zinc/22/48/20/560224820.db2.gz	KDHCNBXWSJRGJW-UHFFFAOYSA-N	-1	3	478.461	1.913	1	30	in-vitro	JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2Cc3ccccc3N(C(=O)COC)C[C@H]2C(=O)N[O-])cc1	ZINC000003924187	562929965	/nfs/dbraw/zinc/92/99/65/562929965.db2.gz	VVCQPDVATXLSSI-NRFANRHFSA-N	-1	3	487.534	1.147	1	30		JDEFHM
NS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N3Cc4ccccc4C[C@@H]3C(=O)N[O-])cc2)cc1	ZINC000013472381	562965962	/nfs/dbraw/zinc/96/59/62/562965962.db2.gz	QPLKYWFIAYKDDE-OAQYLSRUSA-N	-1	3	487.559	1.622	1	30		JDEFHM
CC(=O)N1CCC([C@H](C(=O)N[O-])[C@@H](Cc2cccc(O)c2)C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1	ZINC000013488787	562968404	/nfs/dbraw/zinc/96/84/04/562968404.db2.gz	JCFYPSQTTQQSEU-NGSHPTGOSA-N	-1	3	495.576	1.706	1	30		JDEFHM
CCNC(=O)CC[C@H](C(=O)N[O-])N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1	ZINC000013535587	562972681	/nfs/dbraw/zinc/97/26/81/562972681.db2.gz	WWMQKALQJLUJFG-GOSISDBHSA-N	-1	3	493.538	1.405	1	30		JDEFHM
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](CCC(=O)N(C)C)C(=O)N[O-])cc1	ZINC000013535600	562972691	/nfs/dbraw/zinc/97/26/91/562972691.db2.gz	KBNSLHCEOXXBKJ-GOSISDBHSA-N	-1	3	493.538	1.357	1	30		JDEFHM
CC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013539436	562973115	/nfs/dbraw/zinc/97/31/15/562973115.db2.gz	RSGVYIJLQVPSNJ-VBKZILBWSA-N	-1	3	465.503	1.520	1	30		JDEFHM
CCc1ccccc1COc1ccc(S(=O)(=O)N2CCN(C(C)=O)[C@@H](C)[C@@H]2C(=O)N[O-])cc1	ZINC000013539430	562973122	/nfs/dbraw/zinc/97/31/22/562973122.db2.gz	DODLQVHRMPIMNB-KSFYIVLOSA-N	-1	3	475.567	1.943	1	30		JDEFHM
COC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H](C(=O)N[O-])[C@@H]1C	ZINC000013553165	562973209	/nfs/dbraw/zinc/97/32/09/562973209.db2.gz	BVVZNDQVRQLIPW-OXJNMPFZSA-N	-1	3	477.539	1.909	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(OC)c3)C[C@H]2C(=O)N[O-])cc1	ZINC000013804721	562994945	/nfs/dbraw/zinc/99/49/45/562994945.db2.gz	GUHYZHHGWPARCR-SFHVURJKSA-N	-1	3	464.500	1.116	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)Cc3ccccc3)C[C@H]2C(=O)N[O-])cc1	ZINC000013804710	562994982	/nfs/dbraw/zinc/99/49/82/562994982.db2.gz	SJJAJPMVTRAZSX-IBGZPJMESA-N	-1	3	462.528	1.128	1	30		JDEFHM
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(I)cc1)N[O-]	ZINC000013808261	562995513	/nfs/dbraw/zinc/99/55/13/562995513.db2.gz	YMYDSTVSNKTLJM-UHFFFAOYSA-N	-1	3	491.263	1.896	1	30		JDEFHM
CN(C)CCN(C1(C(=O)[O-])CCCC1)S(=O)(=O)c1ccc2c(Cl)cnc(NC(=N)N)c2c1	ZINC000014960839	563008386	/nfs/dbraw/zinc/00/83/86/563008386.db2.gz	LIPQMUVUZWSFOR-UHFFFAOYSA-N	-1	3	482.994	1.743	1	30		JDEFHM
O=c1[n-]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000017214068	563013811	/nfs/dbraw/zinc/01/38/11/563013811.db2.gz	UQRINVXVCLEHJN-ZNMIVQPWSA-N	-1	3	464.318	1.615	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)N[C@@H]2C[C@H]2c2ccccc2)C(=O)N[O-])cc1	ZINC000026179849	563023781	/nfs/dbraw/zinc/02/37/81/563023781.db2.gz	OMHDLWHIJQAYBQ-XUVXKRRUSA-N	-1	3	476.555	1.483	1	30		JDEFHM
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)Nc2ccccc2C)C(=O)N[O-])cc1	ZINC000026185003	563024008	/nfs/dbraw/zinc/02/40/08/563024008.db2.gz	HPHGCRBZQIGCQD-GOSISDBHSA-N	-1	3	450.517	1.758	1	30		JDEFHM
CC(C)C[C@H](CC(=O)N[O-])C(=O)N[C@H](Cc1ccncc1)C(=O)NCCc1ccc(O)cc1	ZINC000026296990	563026046	/nfs/dbraw/zinc/02/60/46/563026046.db2.gz	LUZFASJCLDTWLF-TZIWHRDSSA-N	-1	3	456.543	1.731	1	30		JDEFHM
CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(F)(F)F)CCCCNC(=O)OCCC[C@@H]1C(=O)N[O-]	ZINC000026579092	563031205	/nfs/dbraw/zinc/03/12/05/563031205.db2.gz	GSZWIPCYHGDRHS-ZNMIVQPWSA-N	-1	3	482.500	1.624	1	30		JDEFHM
O=C(CCCSC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1)N[O-]	ZINC000026744519	563034832	/nfs/dbraw/zinc/03/48/32/563034832.db2.gz	LMOQIDAZZUVSFJ-IBGZPJMESA-N	-1	3	474.539	1.957	1	30		JDEFHM
COc1ccc(S(=O)(=O)N2C[C@@H](NC(=O)[C@H](C)OCc3ccccc3)C[C@@H]2C(=O)N[O-])cc1	ZINC000027558646	563046660	/nfs/dbraw/zinc/04/66/60/563046660.db2.gz	DQXUWRWXYMJLHB-RIFZZMRRSA-N	-1	3	477.539	1.054	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cccs3)C[C@H]2C(=O)N[O-])cc1	ZINC000028127355	563057028	/nfs/dbraw/zinc/05/70/28/563057028.db2.gz	AXPBXFSDSKBQDG-SFHVURJKSA-N	-1	3	477.564	1.561	1	30		JDEFHM
CC#CCOc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C(=O)N[O-])cc1	ZINC000028344395	563060637	/nfs/dbraw/zinc/06/06/37/563060637.db2.gz	JVVFIHLIADCISB-GOSISDBHSA-N	-1	3	467.544	1.594	1	30		JDEFHM
CC#C[C@@H](C)Oc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)C(C)C)CC2)cc1	ZINC000028861991	563083178	/nfs/dbraw/zinc/08/31/78/563083178.db2.gz	UFOCAFMHHPCHKN-QGZVFWFLSA-N	-1	3	486.612	1.577	1	30		JDEFHM
CC#CCNc1ccc(S(=O)(=O)CC2(C(=O)N[O-])CCN(S(=O)(=O)C(C)C)CC2)cc1	ZINC000028861979	563083201	/nfs/dbraw/zinc/08/32/01/563083201.db2.gz	CIPRRERRNXDHQR-UHFFFAOYSA-N	-1	3	471.601	1.221	1	30		JDEFHM
CC#CCNc1ccc(S(=O)(=O)C[C@]2(C(=O)N[O-])CCCN(S(=O)(=O)C(C)C)C2)cc1	ZINC000028951534	563087140	/nfs/dbraw/zinc/08/71/40/563087140.db2.gz	RZAVXBHMHDOVTM-FQEVSTJZSA-N	-1	3	471.601	1.221	1	30		JDEFHM
O=C(N[O-])[C@H]1CC2(CC2)CN(C(=O)OC2CCOCC2)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1	ZINC000029038137	563090746	/nfs/dbraw/zinc/09/07/46/563090746.db2.gz	ZMPZOWIAKRPTEQ-SFTDATJTSA-N	-1	3	486.569	1.627	1	30		JDEFHM
O=C(C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)N[O-])C1)N1CCOCC1	ZINC000040976175	563162033	/nfs/dbraw/zinc/16/20/33/563162033.db2.gz	DSPHOALBCOPTJE-JBACZVJFSA-N	-1	3	458.559	1.122	1	30		JDEFHM
O=C(N[O-])C1(S(=O)(=O)c2ccc(N3CCN(c4ccccc4F)CC3)cc2)CCOCC1	ZINC000049036385	563198898	/nfs/dbraw/zinc/19/88/98/563198898.db2.gz	NHBOIMAIUCLQKQ-UHFFFAOYSA-N	-1	3	463.531	1.981	1	30		JDEFHM
CO[C@@]12[C@@H]3N[C@@H]3CN1c1c(c([O-])c(N=C3C=CC(=NC(C)=O)C=C3)c(C)c1O)[C@@H]2COC(N)=O	ZINC000053074273	563205047	/nfs/dbraw/zinc/20/50/47/563205047.db2.gz	ZMMXQWSWJDHDPV-GJAXGBRVSA-N	-1	3	467.482	1.288	1	30		JDEFHM