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-])C[C@@H]1Nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2CN(CCc2ccc3c(c2)OCO3)C1=O	ZINC000001485082	561675927	/nfs/dbraw/zinc/67/59/27/561675927.db2.gz	IHQOFYRMKAQGIT-QHCPKHFHSA-N	-1	0	541.564	3.062	1	0		KGAFRM
COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@@H](c1cn(C)c2cc(CO)ccc12)c1ccc2c(c1)OCO2	ZINC000001487556	561676033	/nfs/dbraw/zinc/67/60/33/561676033.db2.gz	PGAMLYVKCIXYNX-AREMUKBSSA-N	-1	0	522.579	3.353	1	0		KGAFRM
CN(C)Cc1nccn1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[n-]5)c4)c3C2=O)cc1	ZINC000001494455	561676537	/nfs/dbraw/zinc/67/65/37/561676537.db2.gz	IBHNCZUUOXCFBP-UHFFFAOYSA-N	-1	0	563.544	3.420	1	0		KGAFRM
Cc1ccccc1S(=O)(=O)[N-]n1cnc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2c1=O	ZINC000001651085	561678527	/nfs/dbraw/zinc/67/85/27/561678527.db2.gz	KWRKECDKWDELSB-UHFFFAOYSA-N	-1	0	504.977	3.092	1	0		KGAFRM
CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(=NC(=O)C2=C(C(=O)[O-])CCC2)s1	ZINC000001891053	561680141	/nfs/dbraw/zinc/68/01/41/561680141.db2.gz	UFZKNCXXIFQTNB-QPLCGJKRSA-N	-1	0	501.572	3.395	1	0		KGAFRM
C[N@H+](CCO[P@](=O)([O-])CP(=O)([O-])O)CCc1ccc(-n2cc(-c3cccc(O)c3)c3c2ncnc3N)cc1	ZINC000001907963	561680096	/nfs/dbraw/zinc/68/00/96/561680096.db2.gz	MNRKNYSOLOJVCY-UHFFFAOYSA-N	-1	0	561.472	3.187	1	0		KGAFRM
Cc1nc(N)sc1S(=O)(=O)[N-]c1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1	ZINC000003838289	561683765	/nfs/dbraw/zinc/68/37/65/561683765.db2.gz	IFCLYKYOVNGIHB-UHFFFAOYSA-N	-1	0	595.682	3.222	1	0		KGAFRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cc2nc3c([nH]2)n(CC2CC2)c(=O)n(Cc2ccccc2F)c3=O)cc1	ZINC000003838295	561683834	/nfs/dbraw/zinc/68/38/34/561683834.db2.gz	IVBLVHSUXQCZKG-UHFFFAOYSA-N	-1	0	578.626	3.480	1	0		KGAFRM
CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C(F)(F)F)C(C)C	ZINC000003920597	561685671	/nfs/dbraw/zinc/68/56/71/561685671.db2.gz	RJTLSMDGEGLOSR-BZSNNMDCSA-N	-1	0	563.520	3.038	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1	ZINC000003925301	561686403	/nfs/dbraw/zinc/68/64/03/561686403.db2.gz	YUTZNAKQBPZDHU-APWZRJJASA-N	-1	0	597.575	3.074	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@H]1C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-]	ZINC000003927595	561686866	/nfs/dbraw/zinc/68/68/66/561686866.db2.gz	ODDARQUBFJIPRJ-PBIIQAGSSA-N	-1	0	527.666	3.173	1	0		KGAFRM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCCN1C(=O)c2cccc3cccc(c32)C1=O)[P@@](=O)([O-])O	ZINC000003930581	561687386	/nfs/dbraw/zinc/68/73/86/561687386.db2.gz	VAKSYJYARAOAEQ-QKDODKLFSA-N	-1	0	622.659	3.198	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl	ZINC000003931143	561687501	/nfs/dbraw/zinc/68/75/01/561687501.db2.gz	DFQKZFFVISYVDA-YFBXQHAESA-N	-1	0	624.474	3.135	1	0		KGAFRM
CC(C)[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000003934234	561688201	/nfs/dbraw/zinc/68/82/01/561688201.db2.gz	QERRYNKMJLOQEN-CYFREDJKSA-N	-1	0	591.514	3.083	1	0		KGAFRM
COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(CCOC(C)=O)c3c2OC(F)F)CC1	ZINC000003943564	561689668	/nfs/dbraw/zinc/68/96/68/561689668.db2.gz	ULWJOYYOESSNLD-UHFFFAOYSA-N	-1	0	549.502	3.339	1	0		KGAFRM
O=C([O-])[C@]1(OCCCc2ccc(Cl)cc2)C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2snnc2-c2ccccc2)C1	ZINC000003945302	561689904	/nfs/dbraw/zinc/68/99/04/561689904.db2.gz	WJKBWVYTVHLQSX-JDFHOKRYSA-N	-1	0	533.002	3.372	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1	ZINC000003947893	561690139	/nfs/dbraw/zinc/69/01/39/561690139.db2.gz	JZFJNTFYXXDWCM-KFFAGCAXSA-N	-1	0	587.654	3.231	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccncc2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1	ZINC000003947895	561690162	/nfs/dbraw/zinc/69/01/62/561690162.db2.gz	KQGDXSHRSJLCSW-WIHJZSISSA-N	-1	0	562.648	3.078	1	0		KGAFRM
COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCS(=O)(=O)[O-])c2)cc1	ZINC000003952882	561690681	/nfs/dbraw/zinc/69/06/81/561690681.db2.gz	GNKXKTKCZOIGSL-SSEXGKCCSA-N	-1	0	614.625	3.496	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(F)c2)C(=O)O1	ZINC000003980026	561692340	/nfs/dbraw/zinc/69/23/40/561692340.db2.gz	YASYJPVDDVXERW-IBGZPJMESA-N	-1	0	581.576	3.101	1	0		KGAFRM
CN1CCCN(S(=O)(=O)c2c(Cl)ccc(Nc3c(=O)c(=O)c3Nc3ccccc3Cl)c2[O-])CC1	ZINC000003989344	561693202	/nfs/dbraw/zinc/69/32/02/561693202.db2.gz	DWGOCGSWVMAWCI-UHFFFAOYSA-N	-1	0	525.414	3.108	1	0		KGAFRM
COc1ccc(S(C)(=O)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1c(F)cccc1Cl)C(C)C	ZINC000003993749	561693555	/nfs/dbraw/zinc/69/35/55/561693555.db2.gz	QENZECCKNUZHEO-LVXARBLLSA-N	-1	0	631.144	3.037	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)CNC(=O)c1cnc(NC(=O)NCc2ccccc2)o1)c1cc(Cl)cc(Cl)c1	ZINC000003994258	561693631	/nfs/dbraw/zinc/69/36/31/561693631.db2.gz	IHJDDZUSFQGHNY-KRWDZBQOSA-N	-1	0	534.356	3.365	1	0		KGAFRM
COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCCCS(=O)(=O)[O-])c2)cc1	ZINC000005493658	561696037	/nfs/dbraw/zinc/69/60/37/561696037.db2.gz	GNKXKTKCZOIGSL-PMERELPUSA-N	-1	0	614.625	3.496	1	0		KGAFRM
Cc1cnoc1[N-]S(=O)(=O)c1ccc(Nc2nnc(/C=C/c3c(O)ccc4ccccc43)c(=O)n2N)cc1	ZINC000005579403	561696751	/nfs/dbraw/zinc/69/67/51/561696751.db2.gz	QMZUJLHVVSJAFD-VAWYXSNFSA-N	-1	0	531.554	3.222	1	0		KGAFRM
CCOC(=O)[C@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(F)(F)F	ZINC000005729403	561697784	/nfs/dbraw/zinc/69/77/84/561697784.db2.gz	BIDHEVOACWBNGV-OAQYLSRUSA-N	-1	0	526.493	3.447	1	0		KGAFRM
CCOC(=O)[C@@](NC(=O)CC(C)C)(Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)C(F)(F)F	ZINC000005729445	561697741	/nfs/dbraw/zinc/69/77/41/561697741.db2.gz	LUKRHXWOIHNNBT-NRFANRHFSA-N	-1	0	531.557	3.290	1	0		KGAFRM
CCOC(=O)[C@@](NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1)C(F)(F)F	ZINC000005742237	561698182	/nfs/dbraw/zinc/69/81/82/561698182.db2.gz	AOCZIGJIXLUOCB-HHHXNRCGSA-N	-1	0	592.546	3.232	1	0		KGAFRM
CCOC(=O)[C@@](NC(=O)c1ccccc1)(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(F)(F)F	ZINC000006023750	561702066	/nfs/dbraw/zinc/70/20/66/561702066.db2.gz	BIDHEVOACWBNGV-NRFANRHFSA-N	-1	0	526.493	3.447	1	0		KGAFRM
Cc1cc(=O)n(C(=O)CSc2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)[n-]1	ZINC000006040672	561702095	/nfs/dbraw/zinc/70/20/95/561702095.db2.gz	HCHCWBVURHSPEY-UHFFFAOYSA-N	-1	0	532.363	3.276	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(OC[C@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1	ZINC000009132610	561708865	/nfs/dbraw/zinc/70/88/65/561708865.db2.gz	YUTZNAKQBPZDHU-LPHOPBHVSA-N	-1	0	597.575	3.074	1	0		KGAFRM
COc1ccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)cc1	ZINC000011687602	561709930	/nfs/dbraw/zinc/70/99/30/561709930.db2.gz	KXFWXSJMVLPHDA-FGZHOGPDSA-N	-1	0	525.577	3.482	1	0		KGAFRM
COc1cc(CSC[C@H](NC(C)=O)C(=O)[O-])cc2c1-c1c(c(O)c3c(c1O)C(=O)CC[C@@H]3OC)C2	ZINC000013430843	560216642	/nfs/dbraw/zinc/21/66/42/560216642.db2.gz	XSTMCEQPHBSFEK-RDJZCZTQSA-N	-1	0	501.557	3.164	1	0	in-vitro	KGAFRM
COc1cc(CSC[C@H](NC(C)=O)C(=O)[O-])cc2c1-c1c(c(O)c3c(c1O)C(=O)CC[C@H]3OC)C2	ZINC000013430846	560216659	/nfs/dbraw/zinc/21/66/59/560216659.db2.gz	XSTMCEQPHBSFEK-DOTOQJQBSA-N	-1	0	501.557	3.164	1	0	in-vitro	KGAFRM
O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1cnc2ccccc2c1	ZINC000013436078	561711849	/nfs/dbraw/zinc/71/18/49/561711849.db2.gz	LEEJTINVSSJMDG-CYFREDJKSA-N	-1	0	501.587	3.101	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O)c1ccc2ncsc2c1	ZINC000013436109	561711838	/nfs/dbraw/zinc/71/18/38/561711838.db2.gz	VVILZPGXJJNTRY-UWJYYQICSA-N	-1	0	507.616	3.163	1	0		KGAFRM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)CN2CC[C@H](CCc3ccc4c(n3)NCCC4)C2=O)cc1F	ZINC000013436119	561711847	/nfs/dbraw/zinc/71/18/47/561711847.db2.gz	FJUFYEBFJYPEFS-AVRDEDQJSA-N	-1	0	512.582	3.091	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(OCF)cc1	ZINC000013438555	561712261	/nfs/dbraw/zinc/71/22/61/561712261.db2.gz	SALKSINYSDSNQB-MSOLQXFVSA-N	-1	0	505.351	3.394	1	0		KGAFRM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@]2(C)CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000013438561	561712262	/nfs/dbraw/zinc/71/22/62/561712262.db2.gz	NDTSMDJDMBJXNX-NQIIRXRSSA-N	-1	0	501.388	3.487	1	0		KGAFRM
COc1ccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000013438564	561712201	/nfs/dbraw/zinc/71/22/01/561712201.db2.gz	DMZMLUCRGUZZPE-RXVVDRJESA-N	-1	0	501.388	3.271	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000013438712	561712260	/nfs/dbraw/zinc/71/22/60/561712260.db2.gz	HLUUKMWLLADVRH-ROUUACIJSA-N	-1	0	507.342	3.237	1	0		KGAFRM
O=C([O-])[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000013438721	561712254	/nfs/dbraw/zinc/71/22/54/561712254.db2.gz	OPKAUQAIFQSBOZ-ROUUACIJSA-N	-1	0	507.342	3.237	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])CC(F)F	ZINC000013439166	561712259	/nfs/dbraw/zinc/71/22/59/561712259.db2.gz	DZERJEVGAUXAKW-FUOQNJDISA-N	-1	0	513.582	3.473	1	0		KGAFRM
O=C([O-])[C@H](CCCNC(=O)c1ccc(NC(=O)NCc2ccccc2)o1)NC(=O)OCc1ccccc1	ZINC000013441580	561712734	/nfs/dbraw/zinc/71/27/34/561712734.db2.gz	ZPHCNAMZZJBJIP-FQEVSTJZSA-N	-1	0	508.531	3.491	1	0		KGAFRM
COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(=O)[O-])nc(N(C)C)n1	ZINC000013442585	561712882	/nfs/dbraw/zinc/71/28/82/561712882.db2.gz	NEQBNHXIZDHOMG-HNNXBMFYSA-N	-1	0	506.350	3.008	1	0		KGAFRM
COc1nc(N[C@@H](Cc2ccc(NC(=O)c3c(F)cccc3C(F)(F)F)cc2)C(=O)[O-])nc(OC)n1	ZINC000013442589	561712885	/nfs/dbraw/zinc/71/28/85/561712885.db2.gz	UFPHSDSUWFUDFC-HNNXBMFYSA-N	-1	0	509.416	3.407	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3cccnc3)CCN(C(C)=O)CC2)C(=O)[O-])cc1	ZINC000013445369	561713078	/nfs/dbraw/zinc/71/30/78/561713078.db2.gz	VGUXHZDVUZBCSL-VWLOTQADSA-N	-1	0	501.583	3.449	1	0		KGAFRM
CC(=O)N1CSC[C@@H]1C(=O)N/C(=C\c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000013488056	561715528	/nfs/dbraw/zinc/71/55/28/561715528.db2.gz	CPWXAEABNBAWBW-LTFKWQPMSA-N	-1	0	509.371	3.104	1	0		KGAFRM
CC(=O)N1CSC[C@@H]1C(=O)N/C(=C/c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000013488057	561715533	/nfs/dbraw/zinc/71/55/33/561715533.db2.gz	CPWXAEABNBAWBW-UMNNMYMZSA-N	-1	0	509.371	3.104	1	0		KGAFRM
CCN(CC)S(=O)(=O)C1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3OC)cc2)C(=O)[O-])CCCC1	ZINC000013488143	561715480	/nfs/dbraw/zinc/71/54/80/561715480.db2.gz	LWMXBHHAGNVCLL-QFIPXVFZSA-N	-1	0	502.633	3.459	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)C(=O)[O-])cc1	ZINC000013488148	561715521	/nfs/dbraw/zinc/71/55/21/561715521.db2.gz	DAEIMVCXNQVMSM-DEOSSOPVSA-N	-1	0	523.607	3.497	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1	ZINC000013488149	561715515	/nfs/dbraw/zinc/71/55/15/561715515.db2.gz	SMZRAZWAVQZBEC-WNCULLNHSA-N	-1	0	509.580	3.107	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1	ZINC000013488150	561715523	/nfs/dbraw/zinc/71/55/23/561715523.db2.gz	SMZRAZWAVQZBEC-HOFKKMOUSA-N	-1	0	509.580	3.107	1	0		KGAFRM
CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccco1	ZINC000013558430	561719265	/nfs/dbraw/zinc/71/92/65/561719265.db2.gz	RWKMWQXFHQMLKJ-UHFFFAOYSA-N	-1	0	508.021	3.364	1	0		KGAFRM
CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1ccccn1	ZINC000013558431	561719283	/nfs/dbraw/zinc/71/92/83/561719283.db2.gz	ZSVIKHFEPQLYQS-UHFFFAOYSA-N	-1	0	519.048	3.166	1	0		KGAFRM
CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1-c1cccnc1	ZINC000013558432	561719269	/nfs/dbraw/zinc/71/92/69/561719269.db2.gz	VCRUNBGAELNLJL-UHFFFAOYSA-N	-1	0	519.048	3.166	1	0		KGAFRM
COc1cc(OC)cc(O[C@H](C(=O)[O-])[C@@]2(c3ccccc3)NCC(=O)N(C)c3cc(OC)c(OC)cc32)c1	ZINC000013561021	561719818	/nfs/dbraw/zinc/71/98/18/561719818.db2.gz	SIDYXJUOCRCIEO-IAPPQJPRSA-N	-1	0	522.554	3.063	1	0		KGAFRM
C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](N(C)CCO)C(C)(C)c1ccccc1)C(C)(C)C)C(=O)[O-]	ZINC000013583011	561720217	/nfs/dbraw/zinc/72/02/17/561720217.db2.gz	UPGAAMXWKJXGSM-BHQPJMTKSA-N	-1	0	517.711	3.302	1	0		KGAFRM
C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C(C)(C)c1ccccc1)S(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC000013583050	561720135	/nfs/dbraw/zinc/72/01/35/561720135.db2.gz	COTGCKUWKKAUON-TYOFZRJGSA-N	-1	0	522.708	3.422	1	0		KGAFRM
C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)(C)c1ccccc1)S(C)(=O)=O)C(C)(C)C)C(=O)[O-]	ZINC000013583053	561720168	/nfs/dbraw/zinc/72/01/68/561720168.db2.gz	COTGCKUWKKAUON-PSRNMDMQSA-N	-1	0	522.708	3.422	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-]	ZINC000013586358	561720540	/nfs/dbraw/zinc/72/05/40/561720540.db2.gz	YMOROWYLKHYOQE-DYLHXGEVSA-N	-1	0	507.578	3.298	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-]	ZINC000013586359	561720513	/nfs/dbraw/zinc/72/05/13/561720513.db2.gz	YMOROWYLKHYOQE-CUVVAGTFSA-N	-1	0	507.578	3.298	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-]	ZINC000013586360	561720507	/nfs/dbraw/zinc/72/05/07/561720507.db2.gz	YMOROWYLKHYOQE-GOHWNWGWSA-N	-1	0	507.578	3.298	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@]1(C2CCCCC2)Cc2ccccc2N1)C(=O)N[C@H](CC(F)F)C(=O)C(=O)[O-]	ZINC000013586361	561720508	/nfs/dbraw/zinc/72/05/08/561720508.db2.gz	YMOROWYLKHYOQE-BVFVYWQFSA-N	-1	0	507.578	3.298	1	0		KGAFRM
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)C(=O)Cc2ccccc2)C(=O)[O-])cc1	ZINC000013587693	561720882	/nfs/dbraw/zinc/72/08/82/561720882.db2.gz	JNQDZKNQSKURFC-QHCPKHFHSA-N	-1	0	502.633	3.193	1	0		KGAFRM
COc1ccc(OC)c(CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCC2CCCCC2)C(C)C)c1	ZINC000013589577	561721360	/nfs/dbraw/zinc/72/13/60/561721360.db2.gz	YILDJMOAQGSSRL-LVXARBLLSA-N	-1	0	536.691	3.229	1	0		KGAFRM
CC(C)C[C@H](N[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](C)C(=O)[O-]	ZINC000013651468	561723113	/nfs/dbraw/zinc/72/31/13/561723113.db2.gz	IBIVKJSACNCNGT-XSEFMFLKSA-N	-1	0	521.551	3.052	1	0		KGAFRM
CC(C)C[C@H](N[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](C)C(=O)[O-]	ZINC000013651470	561723127	/nfs/dbraw/zinc/72/31/27/561723127.db2.gz	IBIVKJSACNCNGT-IITNATTFSA-N	-1	0	521.551	3.052	1	0		KGAFRM
CCCn1c2cc(-c3ccc(OCC(=O)N[C@@H](C(=O)[O-])c4ccccc4)cc3)[nH]c2c(=O)n(CCC)c1=O	ZINC000013678892	561724529	/nfs/dbraw/zinc/72/45/29/561724529.db2.gz	SUDRCIBHRPDJGC-XMMPIXPASA-N	-1	0	518.570	3.299	1	0		KGAFRM
CCCn1c2cc(-c3ccc(OCC(=O)N[C@H](C(=O)[O-])c4ccccc4)cc3)[nH]c2c(=O)n(CCC)c1=O	ZINC000013678894	561724506	/nfs/dbraw/zinc/72/45/06/561724506.db2.gz	SUDRCIBHRPDJGC-DEOSSOPVSA-N	-1	0	518.570	3.299	1	0		KGAFRM
CCCCc1ncc(C=C2C(=O)N(CCCC)C(=O)N2Cc2nnn[n-]2)n1Cc1ccc(C(=O)OC)cc1	ZINC000013743390	561726491	/nfs/dbraw/zinc/72/64/91/561726491.db2.gz	SKNMDFCVYBECQT-STZFKDTASA-N	-1	0	520.594	3.179	1	0		KGAFRM
CSCC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013746819	561726861	/nfs/dbraw/zinc/72/68/61/561726861.db2.gz	DNRDODDEPJXJAX-VABKMULXSA-N	-1	0	528.675	3.273	1	0		KGAFRM
O=C([O-])[C@]1(OCCCCc2ccc(Cl)cc2)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1	ZINC000013760879	561727659	/nfs/dbraw/zinc/72/76/59/561727659.db2.gz	RNXLLTKDJTXNAP-GSTBBQIISA-N	-1	0	504.963	3.349	1	0		KGAFRM
CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3[O-])c(F)c(N(C)CC(=O)[O-])c2F)c1	ZINC000013781064	561729352	/nfs/dbraw/zinc/72/93/52/561729352.db2.gz	SJXRMUMLUCMWJJ-UHFFFAOYSA-N	-1	0	515.473	3.157	1	0		KGAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(S(N)(=O)=O)c2C)c1Cl	ZINC000013801633	561730695	/nfs/dbraw/zinc/73/06/95/561730695.db2.gz	DJXXZZHIAPUFSR-UHFFFAOYSA-N	-1	0	519.026	3.324	1	0		KGAFRM
O=C([O-])[C@H](CNC(=O)c1ccc2c(cnn2CCCNc2ccccn2)c1)NC(=O)OCc1ccccc1	ZINC000013803625	561731052	/nfs/dbraw/zinc/73/10/52/561731052.db2.gz	VDGWHXBQNHLEHE-QFIPXVFZSA-N	-1	0	516.558	3.043	1	0		KGAFRM
CCCn1c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(C(=O)[O-])cc4)cc3)nc2c(=O)n(CCC)c1=O	ZINC000013806296	561731458	/nfs/dbraw/zinc/73/14/58/561731458.db2.gz	TVQXEDLVTCLFMN-UHFFFAOYSA-N	-1	0	505.531	3.089	1	0		KGAFRM
[NH3+][C@@H](Cc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000013807110	561731448	/nfs/dbraw/zinc/73/14/48/561731448.db2.gz	ZVUVYJXPSHZSJI-PZUNEJSGSA-N	-1	0	510.527	3.161	1	0		KGAFRM
[NH3+][C@H](Cc1ccccc1)[P@](=O)([O-])C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000013807112	561731477	/nfs/dbraw/zinc/73/14/77/561731477.db2.gz	ZVUVYJXPSHZSJI-VJTSUQJLSA-N	-1	0	510.527	3.161	1	0		KGAFRM
CC(=O)N1[C@H](CC(C)(C)C)C(=O)N(Cc2ccccc2)c2ccccc2C(=O)C[C@H]1C(=O)NCC(=O)[O-]	ZINC000013813236	561731757	/nfs/dbraw/zinc/73/17/57/561731757.db2.gz	AVFMREIJBHKRQO-XZOQPEGZSA-N	-1	0	507.587	3.029	1	0		KGAFRM
COc1ccc([C@@H](Oc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-])cc1	ZINC000013819737	561732467	/nfs/dbraw/zinc/73/24/67/561732467.db2.gz	VSPFPBPROGTMGI-SXWKCWPCSA-N	-1	0	520.529	3.140	1	0		KGAFRM
COc1ccc([C@H](Oc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-])cc1	ZINC000013819739	561732522	/nfs/dbraw/zinc/73/25/22/561732522.db2.gz	VSPFPBPROGTMGI-JTAQYXEDSA-N	-1	0	520.529	3.140	1	0		KGAFRM
CC(C)C[C@H](NC(=O)Cn1c2ccccc2nc1-c1ccccc1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)[O-]	ZINC000013819765	561732508	/nfs/dbraw/zinc/73/25/08/561732508.db2.gz	ZHFVXQBSNWUZIZ-OALUTQOASA-N	-1	0	514.529	3.028	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-]	ZINC000013861397	561734617	/nfs/dbraw/zinc/73/46/17/561734617.db2.gz	NFWGGZOXEYJKCJ-JLCRNFDHSA-N	-1	0	515.692	3.213	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-]	ZINC000013861398	561734761	/nfs/dbraw/zinc/73/47/61/561734761.db2.gz	NFWGGZOXEYJKCJ-HZKQSDJQSA-N	-1	0	515.692	3.213	1	0		KGAFRM
COCCOC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(SC)cc3)cc2)C(=O)[O-])CC1	ZINC000013863412	561734991	/nfs/dbraw/zinc/73/49/91/561734991.db2.gz	FNURWSLLBXZLRC-JOCHJYFZSA-N	-1	0	522.645	3.302	1	0		KGAFRM
COCCOC(=O)N1CCC([C@H](NS(=O)(=O)c2ccc(-c3ccc(SC)cc3)cc2)C(=O)[O-])CC1	ZINC000013863413	561734994	/nfs/dbraw/zinc/73/49/94/561734994.db2.gz	FNURWSLLBXZLRC-QFIPXVFZSA-N	-1	0	522.645	3.302	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N1[C@@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-]	ZINC000013895155	561735484	/nfs/dbraw/zinc/73/54/84/561735484.db2.gz	ODDARQUBFJIPRJ-CVKIWWORSA-N	-1	0	527.666	3.173	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-]	ZINC000013895159	561735619	/nfs/dbraw/zinc/73/56/19/561735619.db2.gz	ODDARQUBFJIPRJ-WJHCDBIXSA-N	-1	0	527.666	3.173	1	0		KGAFRM
CC(=O)[N-]S(=O)(=O)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1	ZINC000013900148	561735617	/nfs/dbraw/zinc/73/56/17/561735617.db2.gz	CXWXOLDASWVADI-QHCPKHFHSA-N	-1	0	511.604	3.005	1	0		KGAFRM
COc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(CO)ccc12)c1ccc2c(c1)OCO2	ZINC000013911487	561735714	/nfs/dbraw/zinc/73/57/14/561735714.db2.gz	PGAMLYVKCIXYNX-SANMLTNESA-N	-1	0	522.579	3.353	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)CNC(=O)c1cnc(NC(=O)NCc2ccccc2)o1)c1cc(Cl)cc(Cl)c1	ZINC000014128414	561736953	/nfs/dbraw/zinc/73/69/53/561736953.db2.gz	IHJDDZUSFQGHNY-QGZVFWFLSA-N	-1	0	534.356	3.365	1	0		KGAFRM
CCOc1cc(C)ccc1S(=O)(=O)[N-]C(=O)[C@H](c1cn(C)c2cc(C(N)=O)ccc12)c1ccc2c(c1)OCO2	ZINC000014141063	561737069	/nfs/dbraw/zinc/73/70/69/561737069.db2.gz	UEHPBBFVUYURNP-SANMLTNESA-N	-1	0	549.605	3.350	1	0		KGAFRM
Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O	ZINC000014210465	561737842	/nfs/dbraw/zinc/73/78/42/561737842.db2.gz	FBFPKPPWVZPZDO-XZOQPEGZSA-N	-1	0	524.624	3.024	1	0		KGAFRM
Cc1cc(C)c(C(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3ccccn3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])c(C)c1	ZINC000014211085	561738072	/nfs/dbraw/zinc/73/80/72/561738072.db2.gz	ZJQXQBNPHQGXKR-VJGNERBWSA-N	-1	0	617.703	3.214	1	0		KGAFRM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@@H](CCCN1C(=O)c2cccc3cccc(c32)C1=O)[P@@](=O)([O-])O	ZINC000014276160	561738875	/nfs/dbraw/zinc/73/88/75/561738875.db2.gz	VAKSYJYARAOAEQ-GMQQYTKMSA-N	-1	0	622.659	3.198	1	0		KGAFRM
CC[C@@H](C)c1cc2c(Cl)c3c(c([O-])c2c(=O)n1N)-c1c(O)c2c(c4c1[C@@H](C3)OCO4)O[C@@H]1[C@H](OC)C=C[C@H](O)[C@@H]1C2=O	ZINC000014294481	561739358	/nfs/dbraw/zinc/73/93/58/561739358.db2.gz	LGOPVBMUGSRUOT-CSKWEWBKSA-N	-1	0	597.020	3.430	1	0	in-vitro	KGAFRM
CC[C@H](C)c1cc2c(Cl)c3c(c([O-])c2c(=O)n1N)-c1c(O)c2c(c4c1[C@@H](C3)OCO4)O[C@@H]1[C@H](OC)C=C[C@H](O)[C@@H]1C2=O	ZINC000014294483	561739317	/nfs/dbraw/zinc/73/93/17/561739317.db2.gz	LGOPVBMUGSRUOT-KGDXPGCSSA-N	-1	0	597.020	3.430	1	0	in-vitro	KGAFRM
O=C(N[C@@H]1C[NH2+]C[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2C(=O)OCC2CCCCC2)c(O)c1)c1ccc(O)cc1	ZINC000014944173	561742369	/nfs/dbraw/zinc/74/23/69/561742369.db2.gz	RYJIUYPHHDCWNM-YIXXDRMTSA-N	-1	0	618.639	3.404	1	0		KGAFRM
COc1ccc(Br)cc1[C@@H](O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C	ZINC000014947295	561744518	/nfs/dbraw/zinc/74/45/18/561744518.db2.gz	NKBSCZIQSOVWKJ-WDJPJFJCSA-N	-1	0	595.512	3.094	1	0		KGAFRM
COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C	ZINC000014947297	561744570	/nfs/dbraw/zinc/74/45/70/561744570.db2.gz	RBCPNDRFXKBOQT-CUNXSJBXSA-N	-1	0	542.654	3.043	1	0		KGAFRM
COc1ccc(-c2nc(C)no2)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)C(C)C	ZINC000014947300	561744574	/nfs/dbraw/zinc/74/45/74/561744574.db2.gz	COLCPJSXGNKCEG-CUNXSJBXSA-N	-1	0	582.679	3.199	1	0		KGAFRM
CCCN(CCC)S(=O)(=O)c1cncc(C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc2ccc(F)cc2)c1	ZINC000014947303	561744537	/nfs/dbraw/zinc/74/45/37/561744537.db2.gz	XRJLXINAIPDKGN-NRFANRHFSA-N	-1	0	539.651	3.107	1	0		KGAFRM
COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NCC(=O)[O-])cc1)NC(=O)OC(C)(C)C	ZINC000014954201	561746858	/nfs/dbraw/zinc/74/68/58/561746858.db2.gz	XPNMKIHCDZHYBD-FQEVSTJZSA-N	-1	0	559.616	3.087	1	0		KGAFRM
COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)OC(C)(C)C	ZINC000014954219	561746856	/nfs/dbraw/zinc/74/68/56/561746856.db2.gz	IKOXRHVKSOJWLA-FQEVSTJZSA-N	-1	0	560.600	3.053	1	0		KGAFRM
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)c1nc2ccccc2[nH]1	ZINC000014955169	561747230	/nfs/dbraw/zinc/74/72/30/561747230.db2.gz	DLGIAAKQWIJBHK-GSDHBNRESA-N	-1	0	559.648	3.441	1	0		KGAFRM
CC(=O)Nc1cccc(-c2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1	ZINC000014956936	561747777	/nfs/dbraw/zinc/74/77/77/561747777.db2.gz	VOUGMWMFYJSPOJ-GOSISDBHSA-N	-1	0	501.499	3.488	1	0		KGAFRM
CC(=O)Nc1cccc(-c2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1	ZINC000014956940	561747861	/nfs/dbraw/zinc/74/78/61/561747861.db2.gz	VOUGMWMFYJSPOJ-SFHVURJKSA-N	-1	0	501.499	3.488	1	0		KGAFRM
Cn1ncc(N2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O	ZINC000014962228	561748662	/nfs/dbraw/zinc/74/86/62/561748662.db2.gz	OSQNFWWDIQJEHF-IBGZPJMESA-N	-1	0	531.396	3.016	1	0		KGAFRM
CCn1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cnc(C)cn1	ZINC000014967832	561750346	/nfs/dbraw/zinc/75/03/46/561750346.db2.gz	XOXXJOLIUVJJAA-FGZHOGPDSA-N	-1	0	512.582	3.170	1	0		KGAFRM
CC(C)c1c(C(=O)N(C)Cc2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000014967855	561750295	/nfs/dbraw/zinc/75/02/95/561750295.db2.gz	ZWAXQNCNRHKSOI-YADHBBJMSA-N	-1	0	513.566	3.372	1	0		KGAFRM
CC(C)c1c(C(=O)NCc2cccc(F)c2F)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000014967859	561750353	/nfs/dbraw/zinc/75/03/53/561750353.db2.gz	FDLHNOWKQMFSQT-MOPGFXCFSA-N	-1	0	535.519	3.308	1	0		KGAFRM
Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1	ZINC000014967871	561750334	/nfs/dbraw/zinc/75/03/34/561750334.db2.gz	NUJQNVHXBHEJJD-YADHBBJMSA-N	-1	0	513.566	3.339	1	0		KGAFRM
Cc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1	ZINC000014967874	561750312	/nfs/dbraw/zinc/75/03/12/561750312.db2.gz	KJCQIVZEEFILIS-YADHBBJMSA-N	-1	0	513.566	3.339	1	0		KGAFRM
Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C	ZINC000014967878	561750314	/nfs/dbraw/zinc/75/03/14/561750314.db2.gz	ZAHAKGSYZSHOLX-YADHBBJMSA-N	-1	0	513.566	3.339	1	0		KGAFRM
COc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc1	ZINC000014967882	561750340	/nfs/dbraw/zinc/75/03/40/561750340.db2.gz	IZGVKPJGRQWQJR-RTWAWAEBSA-N	-1	0	529.565	3.039	1	0		KGAFRM
COc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1	ZINC000014967886	561750327	/nfs/dbraw/zinc/75/03/27/561750327.db2.gz	SBGJIKSFKHFLEJ-RTWAWAEBSA-N	-1	0	529.565	3.039	1	0		KGAFRM
COc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C	ZINC000014967890	561750309	/nfs/dbraw/zinc/75/03/09/561750309.db2.gz	OVDLOXJEUYZUIU-RTWAWAEBSA-N	-1	0	529.565	3.039	1	0		KGAFRM
COc1cc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)cc(OC)c1	ZINC000014967910	561750352	/nfs/dbraw/zinc/75/03/52/561750352.db2.gz	ZNAJCIKMRLEKAA-YADHBBJMSA-N	-1	0	573.618	3.390	1	0		KGAFRM
COc1cccc(CN(C)C(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1	ZINC000014967930	561750322	/nfs/dbraw/zinc/75/03/22/561750322.db2.gz	GGHHUYDMLMMLKD-YADHBBJMSA-N	-1	0	543.592	3.381	1	0		KGAFRM
CC(C)c1c(C(=O)NCCc2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000014967951	561750300	/nfs/dbraw/zinc/75/03/00/561750300.db2.gz	YIUGYUCTBRGVMO-YADHBBJMSA-N	-1	0	513.566	3.073	1	0		KGAFRM
CC(C)c1c(C(=O)NCC2CCCCC2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000014967959	561750473	/nfs/dbraw/zinc/75/04/73/561750473.db2.gz	WGQVBDKLKFLECV-RTWAWAEBSA-N	-1	0	505.587	3.410	1	0		KGAFRM
COCc1cccc(CNC(=O)c2nn(-c3ccc(F)cc3)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C(C)C)c1	ZINC000014967999	561750448	/nfs/dbraw/zinc/75/04/48/561750448.db2.gz	HRMPDLKLCHFEFH-PKTZIBPZSA-N	-1	0	543.592	3.177	1	0		KGAFRM
CC(C)c1c(C(=O)NCc2ccc(C(=O)N(C)C)cc2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000014974341	561752032	/nfs/dbraw/zinc/75/20/32/561752032.db2.gz	NRHMUVWUITXZFM-DNQXCXABSA-N	-1	0	568.646	3.286	1	0		KGAFRM
CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2O)c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1	ZINC000014974855	561752085	/nfs/dbraw/zinc/75/20/85/561752085.db2.gz	FEHNGRLYFHNBSX-UHFFFAOYSA-N	-1	0	505.980	3.053	1	0		KGAFRM
CC(C)c1nc(N(c2ccon2)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000014978013	561752585	/nfs/dbraw/zinc/75/25/85/561752585.db2.gz	UWDARGZAWVSXKW-RKQNLGICSA-N	-1	0	534.566	3.092	1	0		KGAFRM
COC(=O)C1=C([O-])c2cc(OC)c(OC)c(OC)c2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC	ZINC000017176704	561754275	/nfs/dbraw/zinc/75/42/75/561754275.db2.gz	WLIZYSNULHDOIJ-HKUYNNGSSA-N	-1	0	518.515	3.115	1	0		KGAFRM
O=S(=O)([O-])O[C@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000022581277	561759456	/nfs/dbraw/zinc/75/94/56/561759456.db2.gz	ZQMZVOCMPDOOFF-NRFANRHFSA-N	-1	0	576.651	3.318	1	0		KGAFRM
O=S(=O)([O-])O[C@@H](CSc1ncnc2[nH]cnc21)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	ZINC000023258086	561761541	/nfs/dbraw/zinc/76/15/41/561761541.db2.gz	ZQMZVOCMPDOOFF-OAQYLSRUSA-N	-1	0	576.651	3.318	1	0		KGAFRM
CC(C)c1c(C(=O)N[C@H](CO)c2ccccc2)nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000024973317	561762613	/nfs/dbraw/zinc/76/26/13/561762613.db2.gz	YBLASZBVZVCRFU-DNVJHFABSA-N	-1	0	527.593	3.253	1	0	in-vitro	KGAFRM
COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000025973342	561763440	/nfs/dbraw/zinc/76/34/40/561763440.db2.gz	SIWJICQZURLMCZ-HJOGWXRNSA-N	-1	0	558.701	3.281	1	0		KGAFRM
COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000025973351	561763415	/nfs/dbraw/zinc/76/34/15/561763415.db2.gz	SIWJICQZURLMCZ-KMDXXIMOSA-N	-1	0	558.701	3.281	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1NC1CCCC1	ZINC000025995307	561765056	/nfs/dbraw/zinc/76/50/56/561765056.db2.gz	QGANMSAPIGQVQB-WBDNRJBNSA-N	-1	0	517.369	3.367	1	0		KGAFRM
CCCCNc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000025996064	561765066	/nfs/dbraw/zinc/76/50/66/561765066.db2.gz	UIJGLNLFNCUJOR-XCWBOAQFSA-N	-1	0	505.358	3.225	1	0		KGAFRM
CC[C@@H](C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000025997252	561765213	/nfs/dbraw/zinc/76/52/13/561765213.db2.gz	LULBOWHKBZHNPL-IOHQLOAVSA-N	-1	0	505.358	3.223	1	0		KGAFRM
CC[C@H](C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000025997260	561765220	/nfs/dbraw/zinc/76/52/20/561765220.db2.gz	LULBOWHKBZHNPL-OXVOYSCSSA-N	-1	0	505.358	3.223	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1NCCC(F)(F)F	ZINC000025998659	561765217	/nfs/dbraw/zinc/76/52/17/561765217.db2.gz	ZWFFRVLBRVNYPB-SHFFDHQNSA-N	-1	0	545.301	3.377	1	0		KGAFRM
CCN(CC)c1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000026000889	561765423	/nfs/dbraw/zinc/76/54/23/561765423.db2.gz	DQNZNDKDCJZRKQ-INIZCTEOSA-N	-1	0	505.358	3.191	1	0		KGAFRM
CCCN(C)c1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000026001633	561765415	/nfs/dbraw/zinc/76/54/15/561765415.db2.gz	OSNQUPAEVQKVCT-INIZCTEOSA-N	-1	0	505.358	3.191	1	0		KGAFRM
CC(C)(C)Nc1c(=O)c(=O)c1N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-]	ZINC000026002473	561765536	/nfs/dbraw/zinc/76/55/36/561765536.db2.gz	DEBNOGITKRDNAL-QXPDGPNTSA-N	-1	0	505.358	3.223	1	0		KGAFRM
CCCNC(=O)Nc1cccc(-c2ccc(C[C@H](NS(=O)(=O)c3ccccc3S(C)(=O)=O)C(=O)[O-])cc2)c1	ZINC000026017147	561766341	/nfs/dbraw/zinc/76/63/41/561766341.db2.gz	OAIGFBSQRZQQSH-QFIPXVFZSA-N	-1	0	559.666	3.263	1	0		KGAFRM
COCCOC(=O)N(C)C1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])CC1	ZINC000026150879	561767660	/nfs/dbraw/zinc/76/76/60/561767660.db2.gz	KVUZGLYOUHGFEF-SLXFGWRHSA-N	-1	0	534.631	3.367	1	0		KGAFRM
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[O-])NC(=O)c1c[nH]c2ccccc12	ZINC000026182871	561772033	/nfs/dbraw/zinc/77/20/33/561772033.db2.gz	IWJBUWXMLZSQJS-CLJLJLNGSA-N	-1	0	526.593	3.127	1	0		KGAFRM
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)c1c[nH]c2ccccc12	ZINC000026182874	561772080	/nfs/dbraw/zinc/77/20/80/561772080.db2.gz	IWJBUWXMLZSQJS-IZZNHLLZSA-N	-1	0	526.593	3.127	1	0		KGAFRM
CCCOc1ccc(S(=O)(=O)N2CCC([P@](=O)([O-])OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1	ZINC000026183783	561772312	/nfs/dbraw/zinc/77/23/12/561772312.db2.gz	JMPWZFRVAIEACC-UHFFFAOYSA-N	-1	0	581.632	3.440	1	0		KGAFRM
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[NH2+][C@H](CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)C(=O)[O-]	ZINC000026189752	561773326	/nfs/dbraw/zinc/77/33/26/561773326.db2.gz	OAWLGGACVXKUQS-UGUVCCSPSA-N	-1	0	650.858	3.462	1	0		KGAFRM
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[NH2+][C@@H](CCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)[O-])C(C)C)C(=O)[O-]	ZINC000026189756	561773274	/nfs/dbraw/zinc/77/32/74/561773274.db2.gz	OAWLGGACVXKUQS-BWJGENNKSA-N	-1	0	650.858	3.462	1	0		KGAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(COc3c(I)cc(Cl)c4cccnc43)S[C@H]12	ZINC000026249174	561773671	/nfs/dbraw/zinc/77/36/71/561773671.db2.gz	IQTNEKZMPJBRIQ-JARFTNTQSA-N	-1	0	532.743	3.080	1	0		KGAFRM
O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H](O)Cc2ccccc2)c(F)c1	ZINC000026257559	561774985	/nfs/dbraw/zinc/77/49/85/561774985.db2.gz	OVLXXPRVSJGOGV-DRBLOIPVSA-N	-1	0	643.634	3.450	1	0		KGAFRM
O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@H](O)Cc2ccccc2)c(F)c1	ZINC000026257566	561775133	/nfs/dbraw/zinc/77/51/33/561775133.db2.gz	OVLXXPRVSJGOGV-CSZVXOJQSA-N	-1	0	643.634	3.450	1	0		KGAFRM
O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@@H](O)C2CCCC2)c(F)c1	ZINC000026258516	561775312	/nfs/dbraw/zinc/77/53/12/561775312.db2.gz	ASTRIAJTPSIVRW-GIPULPQISA-N	-1	0	621.628	3.398	1	0		KGAFRM
CCCCc1nn(C[C@@H](OCC(=O)[O-])c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1	ZINC000026266040	561776379	/nfs/dbraw/zinc/77/63/79/561776379.db2.gz	PUWFRFYBPKHEID-AREMUKBSSA-N	-1	0	555.639	3.219	1	0		KGAFRM
CCCCc1nn(C[C@H](OCC(=O)[O-])c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1	ZINC000026266048	561776347	/nfs/dbraw/zinc/77/63/47/561776347.db2.gz	PUWFRFYBPKHEID-SANMLTNESA-N	-1	0	555.639	3.219	1	0		KGAFRM
CC(C)[C@H](O)C(=O)N1C[C@H](OCc2ccc(Br)cc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F	ZINC000026270625	561777143	/nfs/dbraw/zinc/77/71/43/561777143.db2.gz	UZCNJZNWUNZTNY-ITAOHFDISA-N	-1	0	704.512	3.427	1	0		KGAFRM
CC(C)[C@H](O)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F	ZINC000026271785	561777294	/nfs/dbraw/zinc/77/72/94/561777294.db2.gz	WLARVDDEFGASBQ-NABNVEFZSA-N	-1	0	653.670	3.098	1	0		KGAFRM
CC(C)[C@H](O)C(=O)N1C[C@H](OCc2ccccc2Cl)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F	ZINC000026271793	561777327	/nfs/dbraw/zinc/77/73/27/561777327.db2.gz	PHGCPAJICAUKGM-IUGKGNRASA-N	-1	0	660.061	3.318	1	0		KGAFRM
COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCC(=O)[O-])c2)cc1	ZINC000026272874	561777428	/nfs/dbraw/zinc/77/74/28/561777428.db2.gz	GUYZWSHWBLUIHH-GDLZYMKVSA-N	-1	0	550.516	3.303	1	0		KGAFRM
COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OCC(=O)[O-])c2)cc1	ZINC000026272881	561777445	/nfs/dbraw/zinc/77/74/45/561777445.db2.gz	GUYZWSHWBLUIHH-LJAQVGFWSA-N	-1	0	550.516	3.303	1	0		KGAFRM
O=C([O-])c1cc(F)c(CCNC(=O)[C@H](CC(F)F)NC(=O)[C@@H]2C[C@@H](c3ccccc3)CN2C(=O)[C@H](O)C2CCCC2)c(F)c1	ZINC000026275371	561778103	/nfs/dbraw/zinc/77/81/03/561778103.db2.gz	ASTRIAJTPSIVRW-AESDOZTDSA-N	-1	0	621.628	3.398	1	0		KGAFRM
CC(C)(C)[C@H](O)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F	ZINC000026275378	561778110	/nfs/dbraw/zinc/77/81/10/561778110.db2.gz	ZVSVUBPVSZEOSK-CSILHSIFSA-N	-1	0	609.617	3.253	1	0		KGAFRM
COc1cccc(OC)c1-c1ccc(C[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000026279558	561778719	/nfs/dbraw/zinc/77/87/19/561778719.db2.gz	UWDSAWYVWRSKPP-PKTZIBPZSA-N	-1	0	538.622	3.336	1	0		KGAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000026279565	561778766	/nfs/dbraw/zinc/77/87/66/561778766.db2.gz	UWDSAWYVWRSKPP-GOTSBHOMSA-N	-1	0	538.622	3.336	1	0		KGAFRM
COc1cccc(OC)c1-c1ccc(C[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000026279572	561778697	/nfs/dbraw/zinc/77/86/97/561778697.db2.gz	UWDSAWYVWRSKPP-DHIUTWEWSA-N	-1	0	538.622	3.336	1	0		KGAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000026279577	561778791	/nfs/dbraw/zinc/77/87/91/561778791.db2.gz	UWDSAWYVWRSKPP-XZOQPEGZSA-N	-1	0	538.622	3.336	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C(=O)OCCc1ccccc1	ZINC000026285226	561779846	/nfs/dbraw/zinc/77/98/46/561779846.db2.gz	MMHYUAMKDIYFDY-FRXPANAUSA-N	-1	0	707.825	3.386	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)[O-])C(=O)OCCc1ccccc1	ZINC000026288337	561780148	/nfs/dbraw/zinc/78/01/48/561780148.db2.gz	MMHYUAMKDIYFDY-OIFRRMEBSA-N	-1	0	707.825	3.386	1	0		KGAFRM
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3ccccc3Br)CC[C@H]12)c1ccccc1	ZINC000026293116	561780833	/nfs/dbraw/zinc/78/08/33/561780833.db2.gz	VMLOXAIGIIGIDZ-OLMNPRSZSA-N	-1	0	502.390	3.027	1	0		KGAFRM
CCCc1nc(CN2CCN(C(=O)C3CC3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000026379734	561783107	/nfs/dbraw/zinc/78/31/07/561783107.db2.gz	UADQBWZVELTJTR-UHFFFAOYSA-N	-1	0	554.655	3.483	1	0		KGAFRM
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](OCc2cccc3ccccc32)C[C@H]1C(=O)NC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1	ZINC000026385032	561784137	/nfs/dbraw/zinc/78/41/37/561784137.db2.gz	ZTWLENQVRALUEE-ZRJFKUPHSA-N	-1	0	634.774	3.285	1	0		KGAFRM
CC(=O)N[C@H](Cc1ccc(OCC(=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026386836	561784712	/nfs/dbraw/zinc/78/47/12/561784712.db2.gz	FNQPFHDGUZQNMR-AVRWGWEMSA-N	-1	0	539.629	3.133	1	0		KGAFRM
CC(=O)N[C@@H](Cc1ccc(OCC(=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000026386840	561784714	/nfs/dbraw/zinc/78/47/14/561784714.db2.gz	FNQPFHDGUZQNMR-BVZFJXPGSA-N	-1	0	539.629	3.133	1	0		KGAFRM
CC(=O)N[C@@H](Cc1ccc(C[P@](=O)([O-])[C@@H](O)c2ccccc2)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1	ZINC000026387209	561784717	/nfs/dbraw/zinc/78/47/17/561784717.db2.gz	SDCAWGVNUSRVNS-SMXDRTIVSA-N	-1	0	640.718	3.175	1	0		KGAFRM
CC(=O)N[C@@H](Cc1ccc(C[P@](=O)([O-])[C@H](O)c2ccccc2)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1	ZINC000026387222	561784694	/nfs/dbraw/zinc/78/46/94/561784694.db2.gz	SDCAWGVNUSRVNS-NFAPWKBDSA-N	-1	0	640.718	3.175	1	0		KGAFRM
CCOC(=O)c1cccc(NC(=O)NCc2ccn(-c3cc4c(cc3C(F)(F)F)[nH]c(=O)c(=O)n4CC(=O)[O-])c2)c1	ZINC000026491158	561793327	/nfs/dbraw/zinc/79/33/27/561793327.db2.gz	MAEGSWBPNOKENQ-UHFFFAOYSA-N	-1	0	573.484	3.082	1	0		KGAFRM
O=C([O-])C=Cc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000026491314	561793332	/nfs/dbraw/zinc/79/33/32/561793332.db2.gz	OMPRNQOGULTMHK-ZOTAXNQESA-N	-1	0	629.658	3.219	1	0		KGAFRM
O=C([O-])C=Cc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12	ZINC000026491319	561793293	/nfs/dbraw/zinc/79/32/93/561793293.db2.gz	OMPRNQOGULTMHK-SAZLWRGGSA-N	-1	0	629.658	3.219	1	0		KGAFRM
O=C([O-])C=Cc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21	ZINC000026491324	561793329	/nfs/dbraw/zinc/79/33/29/561793329.db2.gz	OMPRNQOGULTMHK-JSTKKKCQSA-N	-1	0	629.658	3.219	1	0		KGAFRM
O=C([O-])C=Cc1ccc(C2(C(F)(F)F)N=N2)cc1OCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12	ZINC000026491328	561793363	/nfs/dbraw/zinc/79/33/63/561793363.db2.gz	OMPRNQOGULTMHK-HLUDEYSFSA-N	-1	0	629.658	3.219	1	0		KGAFRM
Cc1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000026491414	561793381	/nfs/dbraw/zinc/79/33/81/561793381.db2.gz	SRWAUGQKOQDHHG-NRFANRHFSA-N	-1	0	656.574	3.113	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000026496663	561794489	/nfs/dbraw/zinc/79/44/89/561794489.db2.gz	NYAJSMZPXCCMPF-JNMBUGSCSA-N	-1	0	661.634	3.254	1	0		KGAFRM
CCOC(=O)c1ccc(NC(=O)NCc2ccn(-c3cc4c(cc3C(F)(F)F)[nH]c(=O)c(=O)n4CC(=O)[O-])c2)cc1	ZINC000026498944	561794887	/nfs/dbraw/zinc/79/48/87/561794887.db2.gz	WYJNVGSFRNBGEH-UHFFFAOYSA-N	-1	0	573.484	3.082	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCCc1ccccc1)C(N)=O	ZINC000026576114	561799830	/nfs/dbraw/zinc/79/98/30/561799830.db2.gz	YLJYGDFUDXKLEN-CPCREDONSA-N	-1	0	718.804	3.055	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OCC(=O)[O-])cc1)NC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O	ZINC000026576180	561799913	/nfs/dbraw/zinc/79/99/13/561799913.db2.gz	XIDUWWLBJHWZQK-CHQNGUEUSA-N	-1	0	704.777	3.012	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](C)CC	ZINC000026576451	561800260	/nfs/dbraw/zinc/80/02/60/561800260.db2.gz	KSMIQAULFAKWPP-VIPNTURPSA-N	-1	0	619.763	3.089	1	0		KGAFRM
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[N-]OCc1ccccc1	ZINC000026576797	561800681	/nfs/dbraw/zinc/80/06/81/561800681.db2.gz	CCGXVCBAIJHVTN-IZZNHLLZSA-N	-1	0	531.609	3.482	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1	ZINC000026577401	561801425	/nfs/dbraw/zinc/80/14/25/561801425.db2.gz	XNJFBFWLEUICER-GOTSBHOMSA-N	-1	0	567.639	3.185	1	0		KGAFRM
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[N-]OC(C)(C)C	ZINC000026577767	561802326	/nfs/dbraw/zinc/80/23/26/561802326.db2.gz	OOJBKLRMRPRKSA-GOTSBHOMSA-N	-1	0	511.619	3.470	1	0		KGAFRM
CC(C)c1cccc2c1C([O-])=C(COC(=O)c1c(Cl)ccc(S(=O)(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O	ZINC000026578392	561803223	/nfs/dbraw/zinc/80/32/23/561803223.db2.gz	PBTHLFNLIVUDLM-LJQANCHMSA-N	-1	0	589.519	3.249	1	0		KGAFRM
CC(C)c1cccc2c1C([O-])=C(COC(=O)c1c(Cl)ccc(S(=O)(=O)N3CCN(C)CC3)c1Cl)S2(=O)=O	ZINC000026578393	561803295	/nfs/dbraw/zinc/80/32/95/561803295.db2.gz	PBTHLFNLIVUDLM-IBGZPJMESA-N	-1	0	589.519	3.249	1	0		KGAFRM
COC(=O)CCCCCCC(=O)Nc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(NC(=O)c4cccs4)cc3)[n-]c2=O)cc1	ZINC000026578503	561803443	/nfs/dbraw/zinc/80/34/43/561803443.db2.gz	OIWIOSZTPAALFP-DQIQZUARSA-N	-1	0	600.697	3.487	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc2ccccc21)C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026578795	561803781	/nfs/dbraw/zinc/80/37/81/561803781.db2.gz	DEKRIRSMDRGJRU-SFTDATJTSA-N	-1	0	603.525	3.323	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1cccc2ccccc21)C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026578796	561803844	/nfs/dbraw/zinc/80/38/44/561803844.db2.gz	DEKRIRSMDRGJRU-LEWJYISDSA-N	-1	0	603.525	3.323	1	0		KGAFRM
CC(C)[C@H](NC(=O)C(=O)N(C)c1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026580243	561805601	/nfs/dbraw/zinc/80/56/01/561805601.db2.gz	GHJZLGZUYMCDSY-DFBJGRDBSA-N	-1	0	605.541	3.107	1	0		KGAFRM
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026580345	561805920	/nfs/dbraw/zinc/80/59/20/561805920.db2.gz	INVIVUKJKRSCNF-SFTDATJTSA-N	-1	0	605.541	3.473	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1)C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026637292	561805931	/nfs/dbraw/zinc/80/59/31/561805931.db2.gz	CTJOSQUKQMFBCP-ZOCZFRKYSA-N	-1	0	603.525	3.227	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1)C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026637298	561805955	/nfs/dbraw/zinc/80/59/55/561805955.db2.gz	CTJOSQUKQMFBCP-MRUHUIDDSA-N	-1	0	603.525	3.227	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1)C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026637305	561805854	/nfs/dbraw/zinc/80/58/54/561805854.db2.gz	CTJOSQUKQMFBCP-XFQAVAEZSA-N	-1	0	603.525	3.227	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc3ccccc32)C1)C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026637312	561805929	/nfs/dbraw/zinc/80/59/29/561805929.db2.gz	CTJOSQUKQMFBCP-QYWGDWMGSA-N	-1	0	603.525	3.227	1	0		KGAFRM
CC(C)[C@H](NC(=O)C(=O)Nc1ccc2ccccc2c1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026641674	561806660	/nfs/dbraw/zinc/80/66/60/561806660.db2.gz	OXBMTRWWDQBQMG-CYFREDJKSA-N	-1	0	591.514	3.083	1	0		KGAFRM
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)C(F)(F)CCCc1ccccc1	ZINC000026642831	561806970	/nfs/dbraw/zinc/80/69/70/561806970.db2.gz	DQJAVJYAPFDZFM-DDZLNHKNSA-N	-1	0	587.664	3.452	1	0		KGAFRM
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)C(F)(F)CCCc1ccccc1	ZINC000026642837	561806978	/nfs/dbraw/zinc/80/69/78/561806978.db2.gz	DQJAVJYAPFDZFM-WBWMCNGVSA-N	-1	0	587.664	3.452	1	0		KGAFRM
CC(C)[C@H](NC(=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026644948	561807377	/nfs/dbraw/zinc/80/73/77/561807377.db2.gz	KJKPUONOAGOHEL-LVXARBLLSA-N	-1	0	631.579	3.197	1	0		KGAFRM
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)cc(F)cc1F	ZINC000026645686	561807538	/nfs/dbraw/zinc/80/75/38/561807538.db2.gz	RNQBJIHRKGNUTR-GOTSBHOMSA-N	-1	0	587.551	3.334	1	0		KGAFRM
CCO[P@](=O)([O-])N[C@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC)[C@@H](C)CC	ZINC000026651870	561808608	/nfs/dbraw/zinc/80/86/08/561808608.db2.gz	SYJDNYDJYYTCSB-TZYHBYERSA-N	-1	0	505.552	3.180	1	0		KGAFRM
CCO[P@](=O)([O-])N[C@H](C(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC)[C@@H](C)CC	ZINC000026651879	561808631	/nfs/dbraw/zinc/80/86/31/561808631.db2.gz	SYJDNYDJYYTCSB-NMNUPHIUSA-N	-1	0	505.552	3.180	1	0		KGAFRM
CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000026653628	561808863	/nfs/dbraw/zinc/80/88/63/561808863.db2.gz	HTCDURIAFZLYLG-MBSDFSHPSA-N	-1	0	597.562	3.227	1	0		KGAFRM
COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)[C@@H]2c1ccccc1	ZINC000026655539	561809185	/nfs/dbraw/zinc/80/91/85/561809185.db2.gz	LSRPAIIWDVLKSE-SEIFXHLTSA-N	-1	0	556.549	3.381	1	0		KGAFRM
COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1CO[C@@]2(C1)CCCN(Cc1n[nH]c(=O)[n-]1)[C@@H]2c1ccccc1	ZINC000026655544	561809277	/nfs/dbraw/zinc/80/92/77/561809277.db2.gz	LSRPAIIWDVLKSE-CFRFINDLSA-N	-1	0	556.549	3.381	1	0		KGAFRM
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH2+]CC[P@](=O)([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000026656307	561809293	/nfs/dbraw/zinc/80/92/93/561809293.db2.gz	SYZYBPFCQPDGMW-QKDODKLFSA-N	-1	0	630.679	3.092	1	0		KGAFRM
C[C@@]1(C(=O)N[C@@H](Cc2ccc(-c3nc[nH]n3)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000026657719	561809815	/nfs/dbraw/zinc/80/98/15/561809815.db2.gz	CELGRUOLPJJNJO-CVDCTZTESA-N	-1	0	552.440	3.134	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)[O-]	ZINC000026668819	561811849	/nfs/dbraw/zinc/81/18/49/561811849.db2.gz	ZUFLKCVDEABOFS-FWEHEUNISA-N	-1	0	645.823	3.207	1	0		KGAFRM
O=C([O-])C1=C(Cn2cccc3ccnc2-3)CS[C@@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000026670778	561812269	/nfs/dbraw/zinc/81/22/69/561812269.db2.gz	LYYPQVMMLWYHDD-XMSQKQJNSA-O	-1	0	550.469	3.293	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1	ZINC000026726240	561815906	/nfs/dbraw/zinc/81/59/06/561815906.db2.gz	LVUXYRJNPQQCHU-DTXPUJKBSA-N	-1	0	666.687	3.204	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1cc(=O)c(O)co1)C(=O)[O-]	ZINC000026726688	561816066	/nfs/dbraw/zinc/81/60/66/561816066.db2.gz	DSKJAUHTSACAIR-QVICYHPESA-N	-1	0	632.670	3.007	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cc(=O)c(O)co1	ZINC000026731858	561816750	/nfs/dbraw/zinc/81/67/50/561816750.db2.gz	QVVNUFOTYLPXCI-CPCREDONSA-N	-1	0	721.723	3.391	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2	ZINC000026734282	561817183	/nfs/dbraw/zinc/81/71/83/561817183.db2.gz	RWBOWRDCKZVMOU-NZQKXSOJSA-N	-1	0	544.564	3.422	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2	ZINC000026734286	561817148	/nfs/dbraw/zinc/81/71/48/561817148.db2.gz	RWBOWRDCKZVMOU-REWPJTCUSA-N	-1	0	544.564	3.422	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2	ZINC000026734291	561817195	/nfs/dbraw/zinc/81/71/95/561817195.db2.gz	RWBOWRDCKZVMOU-NFBKMPQASA-N	-1	0	544.564	3.422	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1ccc2c(c1)OCO2	ZINC000026734296	561817168	/nfs/dbraw/zinc/81/71/68/561817168.db2.gz	RWBOWRDCKZVMOU-OFNKIYASSA-N	-1	0	544.564	3.422	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1	ZINC000026735935	561817497	/nfs/dbraw/zinc/81/74/97/561817497.db2.gz	OORCGJRAVZCRTO-NZQKXSOJSA-N	-1	0	501.543	3.088	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1	ZINC000026735941	561817503	/nfs/dbraw/zinc/81/75/03/561817503.db2.gz	OORCGJRAVZCRTO-REWPJTCUSA-N	-1	0	501.543	3.088	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1	ZINC000026735944	561817507	/nfs/dbraw/zinc/81/75/07/561817507.db2.gz	OORCGJRAVZCRTO-NFBKMPQASA-N	-1	0	501.543	3.088	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)NCc3ccccc3)c2)C1)c1cccnc1	ZINC000026735949	561817492	/nfs/dbraw/zinc/81/74/92/561817492.db2.gz	OORCGJRAVZCRTO-OFNKIYASSA-N	-1	0	501.543	3.088	1	0		KGAFRM
CCCc1cc(O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](OC(=O)c3ccc(C)[nH]3)[C@H]2O)c(C)c2oc(=O)c(C(=O)[O-])cc12	ZINC000026740999	561818111	/nfs/dbraw/zinc/81/81/11/561818111.db2.gz	ZALQTCORZJTHJS-QOTYLPIXSA-N	-1	0	529.542	3.114	1	0		KGAFRM
COC(=O)Oc1cccc(C(=O)N(CCCn2c(=O)oc3c(OC(=O)OC)cccc3c2=O)[C@@H](C)CCC(=O)[O-])c1OC(=O)OC	ZINC000026824928	561821721	/nfs/dbraw/zinc/82/17/21/561821721.db2.gz	ISAXSOCXNBNMMU-INIZCTEOSA-N	-1	0	646.558	3.176	1	0		KGAFRM
COC(=O)Oc1cccc(C(=O)N(CCCn2c(=O)oc3c(OC(=O)OC)cccc3c2=O)[C@H](C)CCC(=O)[O-])c1OC(=O)OC	ZINC000026824933	561821759	/nfs/dbraw/zinc/82/17/59/561821759.db2.gz	ISAXSOCXNBNMMU-MRXNPFEDSA-N	-1	0	646.558	3.176	1	0		KGAFRM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]Cc1ccccc1[S-])C(C)C)C(=O)[O-]	ZINC000026829541	561822745	/nfs/dbraw/zinc/82/27/45/561822745.db2.gz	QAWZUSUYERPCES-FUDKSRODSA-N	-1	0	517.717	3.140	1	0		KGAFRM
COc1cccc(-c2cn(-c3ccc(CC[N@H+](C)CCO[P@](=O)([O-])CP(=O)([O-])O)cc3)c3ncnc(N)c23)c1	ZINC000026834585	561823812	/nfs/dbraw/zinc/82/38/12/561823812.db2.gz	BYIUYOUTTHBEGS-UHFFFAOYSA-N	-1	0	575.499	3.490	1	0		KGAFRM
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)Oc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000026937988	561827894	/nfs/dbraw/zinc/82/78/94/561827894.db2.gz	RZVVYCITYKTUOC-NXQMDHLFSA-N	-1	0	647.607	3.212	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)Oc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000026938535	561827789	/nfs/dbraw/zinc/82/77/89/561827789.db2.gz	RZVVYCITYKTUOC-HMHJJOSWSA-N	-1	0	647.607	3.212	1	0		KGAFRM
CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(CCc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)[O-])N2	ZINC000026943227	561828318	/nfs/dbraw/zinc/82/83/18/561828318.db2.gz	SPPYTCHURNFCLV-DEOSSOPVSA-N	-1	0	555.591	3.404	1	0		KGAFRM
Cc1ccc2nc(CN(C)C(=O)c3ccc4c(c3)CN(Cc3ccccc3)C(=O)[C@H](CC(=O)[O-])N4)[nH]c2n1	ZINC000026956846	561829384	/nfs/dbraw/zinc/82/93/84/561829384.db2.gz	XMPXRHABLSILBF-QHCPKHFHSA-N	-1	0	512.570	3.336	1	0		KGAFRM
CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ccc([N-]S(=O)(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F	ZINC000026972850	561830557	/nfs/dbraw/zinc/83/05/57/561830557.db2.gz	ILIXOTURYGTOFM-MRXNPFEDSA-N	-1	0	527.443	3.049	1	0		KGAFRM
CC(C)[C@H](NC(=O)Cn1c(-c2ccccc2)ccc([N-]S(=O)(=O)C(F)(F)F)c1=O)C(=O)C(F)(F)F	ZINC000026972857	561830597	/nfs/dbraw/zinc/83/05/97/561830597.db2.gz	ILIXOTURYGTOFM-INIZCTEOSA-N	-1	0	527.443	3.049	1	0		KGAFRM
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(=O)N[C@@H](CC(=O)[O-])C(=O)c1nc2ccccc2o1)C1Cc2ccccc2C1	ZINC000026996621	561833419	/nfs/dbraw/zinc/83/34/19/561833419.db2.gz	ICSUVLPLFSKXAO-YZNIXAGQSA-N	-1	0	610.667	3.421	1	0		KGAFRM
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(CC(=O)N[C@H](CC(=O)[O-])C(=O)c1nc2ccccc2o1)C1Cc2ccccc2C1	ZINC000026996627	561833427	/nfs/dbraw/zinc/83/34/27/561833427.db2.gz	ICSUVLPLFSKXAO-VIZCGCQYSA-N	-1	0	610.667	3.421	1	0		KGAFRM
CCCCC1=NC2(CCN(C(=O)[C@@H]([NH3+])CC(=O)[O-])CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000027075075	561833990	/nfs/dbraw/zinc/83/39/90/561833990.db2.gz	GXGGPGKPZOWIIJ-QHCPKHFHSA-N	-1	0	534.613	3.146	1	0		KGAFRM
CCCCC1=NC2(CCN(C(=O)[C@H]([NH3+])CC(=O)[O-])CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000027075082	561833993	/nfs/dbraw/zinc/83/39/93/561833993.db2.gz	GXGGPGKPZOWIIJ-HSZRJFAPSA-N	-1	0	534.613	3.146	1	0		KGAFRM
C[C@@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000027091952	561837449	/nfs/dbraw/zinc/83/74/49/561837449.db2.gz	CGJWVBCGBAONJB-QRQMUESOSA-N	-1	0	519.642	3.194	1	0		KGAFRM
C[C@](Cc1ccccc1)(NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000027091959	561837438	/nfs/dbraw/zinc/83/74/38/561837438.db2.gz	CGJWVBCGBAONJB-SAGWHXFDSA-N	-1	0	519.642	3.194	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccccc1Cl	ZINC000027099111	561838367	/nfs/dbraw/zinc/83/83/67/561838367.db2.gz	OPACFFJINGAWIU-HKBOAZHASA-N	-1	0	619.106	3.428	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccccc1Cl	ZINC000027099118	561838361	/nfs/dbraw/zinc/83/83/61/561838361.db2.gz	OPACFFJINGAWIU-ACRUOGEOSA-N	-1	0	619.106	3.428	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccccc1Cl	ZINC000027099124	561838346	/nfs/dbraw/zinc/83/83/46/561838346.db2.gz	OPACFFJINGAWIU-QHAWAJNXSA-N	-1	0	619.106	3.428	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(F)F)C(=O)NCCc1ccccc1Cl	ZINC000027099130	561838378	/nfs/dbraw/zinc/83/83/78/561838378.db2.gz	OPACFFJINGAWIU-PCCBWWKXSA-N	-1	0	619.106	3.428	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc(F)c1F	ZINC000027110206	561841517	/nfs/dbraw/zinc/84/15/17/561841517.db2.gz	JDWGXXZYQDTPJR-DCFHFQCYSA-N	-1	0	542.535	3.245	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc(F)c1	ZINC000027181390	561841887	/nfs/dbraw/zinc/84/18/87/561841887.db2.gz	ABWXALYDODJNBX-CUNXSJBXSA-N	-1	0	524.545	3.106	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(F)ccc1F	ZINC000027181650	561841909	/nfs/dbraw/zinc/84/19/09/561841909.db2.gz	TXLBOCACZQANRO-IDISGSTGSA-N	-1	0	542.535	3.245	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(F)cc(F)c1	ZINC000027181848	561841894	/nfs/dbraw/zinc/84/18/94/561841894.db2.gz	ZFNWKOQSIPAZRW-CUNXSJBXSA-N	-1	0	542.535	3.245	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(F)cc1F	ZINC000027182118	561841862	/nfs/dbraw/zinc/84/18/62/561841862.db2.gz	SRXHYXCLXLIPKH-IDISGSTGSA-N	-1	0	542.535	3.245	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(F)cc(F)c1F	ZINC000027184039	561842083	/nfs/dbraw/zinc/84/20/83/561842083.db2.gz	MXAXOGCXUDHSDF-DCFHFQCYSA-N	-1	0	560.525	3.384	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(F)c(F)c1F	ZINC000027185639	561842543	/nfs/dbraw/zinc/84/25/43/561842543.db2.gz	BVYLOBFDICXQHB-PPHZAIPVSA-N	-1	0	560.525	3.384	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)ccc(F)c1F	ZINC000027185646	561842548	/nfs/dbraw/zinc/84/25/48/561842548.db2.gz	PXCONPSREFMFGA-FNZWTVRRSA-N	-1	0	560.525	3.384	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)cc(F)cc1F	ZINC000027186433	561842672	/nfs/dbraw/zinc/84/26/72/561842672.db2.gz	SSQDLKGUIOHYTP-LVXARBLLSA-N	-1	0	560.525	3.384	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)cccc1F	ZINC000027186534	561842660	/nfs/dbraw/zinc/84/26/60/561842660.db2.gz	OQUNUGPLGLAUPI-LVXARBLLSA-N	-1	0	542.535	3.245	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1F	ZINC000027190224	561843364	/nfs/dbraw/zinc/84/33/64/561843364.db2.gz	FCVYZKFUXXMMQU-IDISGSTGSA-N	-1	0	524.545	3.106	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(F)c(F)cc1F	ZINC000027190409	561843411	/nfs/dbraw/zinc/84/34/11/561843411.db2.gz	FMJFXPSXPOZSDS-IDISGSTGSA-N	-1	0	560.525	3.384	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc2oc(=O)sc2c1	ZINC000027192216	561843683	/nfs/dbraw/zinc/84/36/83/561843683.db2.gz	QRADIOKLZGXVEZ-DCFHFQCYSA-N	-1	0	580.615	3.135	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(F)cc1	ZINC000027192692	561843745	/nfs/dbraw/zinc/84/37/45/561843745.db2.gz	VEBUBEWSLKJVIE-CUNXSJBXSA-N	-1	0	524.545	3.106	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(F)c(F)c1	ZINC000027197293	561844500	/nfs/dbraw/zinc/84/45/00/561844500.db2.gz	JRMBTBKLTFZPPD-CUNXSJBXSA-N	-1	0	542.535	3.245	1	0		KGAFRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NCNC(=O)c3ccc(NC(=O)c4cccnc4)cc3)cc2)n1	ZINC000027200500	561845054	/nfs/dbraw/zinc/84/50/54/561845054.db2.gz	YRSJCZHUKLDIIN-UHFFFAOYSA-N	-1	0	531.598	3.341	1	0		KGAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21	ZINC000027205797	561845964	/nfs/dbraw/zinc/84/59/64/561845964.db2.gz	FORCEXNNBSDSEI-JVYGEBFASA-N	-1	0	566.614	3.473	1	0		KGAFRM
Cc1cc([N-]S(=O)(=O)c2ccc(NCNC(=O)c3ccc(NC(=O)c4cccnc4)cc3)cc2)no1	ZINC000027206409	561845936	/nfs/dbraw/zinc/84/59/36/561845936.db2.gz	ANXFPUAISDMWGZ-UHFFFAOYSA-N	-1	0	506.544	3.231	1	0		KGAFRM
Cc1ncc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)N[C@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000027208576	561846597	/nfs/dbraw/zinc/84/65/97/561846597.db2.gz	SRWAUGQKOQDHHG-OAQYLSRUSA-N	-1	0	656.574	3.113	1	0		KGAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21	ZINC000027211594	561847300	/nfs/dbraw/zinc/84/73/00/561847300.db2.gz	FORCEXNNBSDSEI-YAOOYPAMSA-N	-1	0	566.614	3.473	1	0		KGAFRM
Cc1nnc([N-]S(=O)(=O)c2ccc(NCNC(=O)c3ccc(NC(=O)c4cccnc4)cc3)cc2)s1	ZINC000027211996	561847424	/nfs/dbraw/zinc/84/74/24/561847424.db2.gz	RSTSYLCXTQJBQL-UHFFFAOYSA-N	-1	0	523.600	3.094	1	0		KGAFRM
C[C@@H](NC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000027216151	561848437	/nfs/dbraw/zinc/84/84/37/561848437.db2.gz	HWQQGRXDDDFVSU-WTIAFYNJSA-N	-1	0	659.618	3.104	1	0		KGAFRM
C[C@H](NC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000027216156	561848387	/nfs/dbraw/zinc/84/83/87/561848387.db2.gz	HWQQGRXDDDFVSU-AJSBUHFISA-N	-1	0	659.618	3.104	1	0		KGAFRM
C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000027216162	561848358	/nfs/dbraw/zinc/84/83/58/561848358.db2.gz	HWQQGRXDDDFVSU-OIBXWCBGSA-N	-1	0	659.618	3.104	1	0		KGAFRM
C[C@H](NC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000027216166	561848365	/nfs/dbraw/zinc/84/83/65/561848365.db2.gz	HWQQGRXDDDFVSU-VJBMBRPKSA-N	-1	0	659.618	3.104	1	0		KGAFRM
COc1ccc(S(=O)(=O)NCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[N-]OCc2ccccc2)C(=O)[O-])cc1	ZINC000027216218	561848361	/nfs/dbraw/zinc/84/83/61/561848361.db2.gz	QSTJVEYCHWTPDX-CHQNGUEUSA-N	-1	0	668.813	3.187	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000027302250	561849231	/nfs/dbraw/zinc/84/92/31/561849231.db2.gz	JLCOZUHZQBNSIP-LXWOLXCRSA-N	-1	0	673.645	3.350	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@]3(C2)C[C@@H](CNc2nc4ccccc4[nH]2)N(C(=O)OCc2ccccc2)C3)C(=O)[O-])c(C)c1	ZINC000027304136	561849369	/nfs/dbraw/zinc/84/93/69/561849369.db2.gz	JZNNOQAIUYCKAJ-NUMQFJNSSA-N	-1	0	717.805	3.374	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)CC[C@@H](c3ccccc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000027311563	561850852	/nfs/dbraw/zinc/85/08/52/561850852.db2.gz	INGDHYBUWPVOQF-QKDODKLFSA-N	-1	0	553.615	3.427	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)CC[C@H](c3ccccc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000027311571	561850777	/nfs/dbraw/zinc/85/07/77/561850777.db2.gz	INGDHYBUWPVOQF-PVHODMMVSA-N	-1	0	553.615	3.427	1	0		KGAFRM
CN([C@@H](CNC(=O)C1=NO[C@@H](CCCCNc2ccccn2)C1)C(=O)[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000027313158	561851103	/nfs/dbraw/zinc/85/11/03/561851103.db2.gz	UKQQNICRUFWBLJ-OZXSUGGESA-N	-1	0	579.679	3.366	1	0		KGAFRM
CN([C@@H](CNC(=O)C1=NO[C@H](CCCCNc2ccccn2)C1)C(=O)[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000027313166	561851100	/nfs/dbraw/zinc/85/11/00/561851100.db2.gz	UKQQNICRUFWBLJ-BVAGGSTKSA-N	-1	0	579.679	3.366	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@@H](CCCCNc3nccc4ccccc43)C2)C(=O)[O-])c(C)c1	ZINC000027313269	561851205	/nfs/dbraw/zinc/85/12/05/561851205.db2.gz	XJVKHCQPUZNFDV-DHLKQENFSA-N	-1	0	581.695	3.435	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@H](CCCCNc3nccc4ccccc43)C2)C(=O)[O-])c(C)c1	ZINC000027313276	561851242	/nfs/dbraw/zinc/85/12/42/561851242.db2.gz	XJVKHCQPUZNFDV-RDGATRHJSA-N	-1	0	581.695	3.435	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@@H](CCCCNc3cc4ccccc4cn3)C2)C(=O)[O-])c(C)c1	ZINC000027315036	561851421	/nfs/dbraw/zinc/85/14/21/561851421.db2.gz	VIXCZHQOFMNKKK-ZCYQVOJMSA-N	-1	0	581.695	3.435	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)C2=NO[C@H](CCCCNc3cc4ccccc4cn3)C2)C(=O)[O-])c(C)c1	ZINC000027315043	561851383	/nfs/dbraw/zinc/85/13/83/561851383.db2.gz	VIXCZHQOFMNKKK-NOZRDPDXSA-N	-1	0	581.695	3.435	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000027315743	561851533	/nfs/dbraw/zinc/85/15/33/561851533.db2.gz	BHUDKNGNZZAIQI-STXQHDJLSA-N	-1	0	553.615	3.112	1	0		KGAFRM
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)C)C(=O)c1nc2ccccc2o1	ZINC000027316115	561851661	/nfs/dbraw/zinc/85/16/61/561851661.db2.gz	LHYXNAGDRPZJLN-XWGVYQGASA-N	-1	0	562.623	3.295	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)C[C@@H](c3ccccc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000027318525	561852178	/nfs/dbraw/zinc/85/21/78/561852178.db2.gz	XSLIRFLSVLKSGH-GSDHBNRESA-N	-1	0	539.588	3.037	1	0		KGAFRM
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCC(=O)[O-])C2	ZINC000027323112	561852981	/nfs/dbraw/zinc/85/29/81/561852981.db2.gz	MZGYVFASNBATET-SBQVMTCPSA-N	-1	0	502.677	3.472	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000027324266	561853318	/nfs/dbraw/zinc/85/33/18/561853318.db2.gz	QPBVMPSYTAHRNI-ZEQRLZLVSA-N	-1	0	531.609	3.204	1	0		KGAFRM
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](CC(=O)[O-])C1=O)C2	ZINC000027324759	561853300	/nfs/dbraw/zinc/85/33/00/561853300.db2.gz	WNESVHIUEBKESY-HGOJKKRXSA-N	-1	0	542.698	3.341	1	0		KGAFRM
CCCCCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)CC(C)C)CC(C)C)CC(C)C)Cc1ccc(C[P@@](=O)([O-])O)cc1	ZINC000027328809	561854306	/nfs/dbraw/zinc/85/43/06/561854306.db2.gz	MUHPVXYCLAENAK-UHFFFAOYSA-N	-1	0	695.839	3.212	1	0		KGAFRM
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)C[P@@](=O)([O-])O	ZINC000027414652	561856978	/nfs/dbraw/zinc/85/69/78/561856978.db2.gz	PMPHQERBFUZNST-RYRVMRHHSA-N	-1	0	591.601	3.132	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(OCC[C@@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1	ZINC000027418866	561857409	/nfs/dbraw/zinc/85/74/09/561857409.db2.gz	BJUYBSCMQGCMCE-PXNSSMCTSA-N	-1	0	611.602	3.465	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(OCC[C@H]3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1	ZINC000027418872	561857386	/nfs/dbraw/zinc/85/73/86/561857386.db2.gz	BJUYBSCMQGCMCE-XLIONFOSSA-N	-1	0	611.602	3.465	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(F)c2)C(=O)O1	ZINC000027418887	561857446	/nfs/dbraw/zinc/85/74/46/561857446.db2.gz	CVTSWAGYIBKKFO-IBGZPJMESA-N	-1	0	597.575	3.217	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(O[C@@H]3CCCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1	ZINC000027422975	561857955	/nfs/dbraw/zinc/85/79/55/561857955.db2.gz	YHCNYPORDPPMLH-MOPGFXCFSA-N	-1	0	597.575	3.217	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(O[C@H]3CCCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)C3)c(F)c2)C(=O)O1	ZINC000027422980	561857978	/nfs/dbraw/zinc/85/79/78/561857978.db2.gz	YHCNYPORDPPMLH-OALUTQOASA-N	-1	0	597.575	3.217	1	0		KGAFRM
CC(=O)NC[C@H]1CN(c2ccc(OCC3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)c(F)c2)C(=O)O1	ZINC000027427792	561858801	/nfs/dbraw/zinc/85/88/01/561858801.db2.gz	SJMJLEDRVOWIJK-FQEVSTJZSA-N	-1	0	611.602	3.465	1	0		KGAFRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000027518711	561862504	/nfs/dbraw/zinc/86/25/04/561862504.db2.gz	JUKFCBROSYMBDZ-CNZYGJSRSA-N	-1	0	522.610	3.316	1	0		KGAFRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000027518712	561862463	/nfs/dbraw/zinc/86/24/63/561862463.db2.gz	JUKFCBROSYMBDZ-ZHRZMYAWSA-N	-1	0	522.610	3.316	1	0		KGAFRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000027518713	561862505	/nfs/dbraw/zinc/86/25/05/561862505.db2.gz	JUKFCBROSYMBDZ-YONKHTIBSA-N	-1	0	522.610	3.316	1	0		KGAFRM
CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(C)C)C(=O)C(F)(F)C(F)(F)F	ZINC000027520942	561863924	/nfs/dbraw/zinc/86/39/24/561863924.db2.gz	RJTLSMDGEGLOSR-KSZLIROESA-N	-1	0	563.520	3.038	1	0		KGAFRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000027522938	561864648	/nfs/dbraw/zinc/86/46/48/561864648.db2.gz	UIACMMRQPLYYRX-CNZYGJSRSA-N	-1	0	520.594	3.092	1	0		KGAFRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000027522942	561864677	/nfs/dbraw/zinc/86/46/77/561864677.db2.gz	UIACMMRQPLYYRX-ZHRZMYAWSA-N	-1	0	520.594	3.092	1	0		KGAFRM
CC(C)(CC(=O)[O-])CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000027522944	561864585	/nfs/dbraw/zinc/86/45/85/561864585.db2.gz	UIACMMRQPLYYRX-YONKHTIBSA-N	-1	0	520.594	3.092	1	0		KGAFRM
COc1cccc([C@H]2O[C@H](CC(=O)N[C@@H](C)C(=O)[O-])C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC	ZINC000027523279	561864993	/nfs/dbraw/zinc/86/49/93/561864993.db2.gz	JCHYHJUTOPKYNB-PNDGYVOYSA-N	-1	0	549.020	3.176	1	0		KGAFRM
COc1cccc([C@H]2O[C@H](CC(=O)N[C@H](C)C(=O)[O-])C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC	ZINC000027523280	561865003	/nfs/dbraw/zinc/86/50/03/561865003.db2.gz	JCHYHJUTOPKYNB-YCASGBEESA-N	-1	0	549.020	3.176	1	0		KGAFRM
COc1cccc([C@H]2O[C@H](CC(=O)N(C)CC(=O)[O-])C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC	ZINC000027523281	561864961	/nfs/dbraw/zinc/86/49/61/561864961.db2.gz	GGZNHPQUCVFOCU-ZJSXRUAMSA-N	-1	0	549.020	3.130	1	0		KGAFRM
COc1cccc([C@H]2O[C@H](CC(=O)NCCC(=O)[O-])C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC	ZINC000027524180	561865560	/nfs/dbraw/zinc/86/55/60/561865560.db2.gz	PILXQRRCKWZQCO-ZJSXRUAMSA-N	-1	0	549.020	3.178	1	0	in-vitro	KGAFRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](Nc4cc[n+](COCC(Cl)(Cl)Cl)cc4C(=O)[O-])[C@H]3SC2)s1	ZINC000027524766	561865779	/nfs/dbraw/zinc/86/57/79/561865779.db2.gz	CENQXJWKAKRXHA-CZUORRHYSA-O	-1	0	627.961	3.003	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@@H](CC(=O)[O-])Cc3ccccc3)N2C1=O	ZINC000027525552	561866048	/nfs/dbraw/zinc/86/60/48/561866048.db2.gz	FORFDJKYIXRELO-LDLZHSJESA-N	-1	0	546.624	3.462	1	0		KGAFRM
CC(C)c1csc(CCc2ccn3c(c2)nc(N2CCC(OC(N)=O)CC2)c(/C=C/C(=O)[O-])c3=O)n1	ZINC000027546492	561866819	/nfs/dbraw/zinc/86/68/19/561866819.db2.gz	AZCPMVLIEPZXDV-GQCTYLIASA-N	-1	0	511.604	3.222	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)N[C@H](C(=O)C(F)(F)C(=O)[O-])C(C)C)C1Cc2ccccc2C1	ZINC000027547732	561867254	/nfs/dbraw/zinc/86/72/54/561867254.db2.gz	CHHLKVBHQKGYMN-UIOOFZCWSA-N	-1	0	601.647	3.363	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-]	ZINC000027547912	561867293	/nfs/dbraw/zinc/86/72/93/561867293.db2.gz	OJTMLSFMMJZVBH-MKBYFEBXSA-N	-1	0	527.703	3.357	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)[O-]	ZINC000027547920	561867313	/nfs/dbraw/zinc/86/73/13/561867313.db2.gz	OJTMLSFMMJZVBH-YCSIXTNKSA-N	-1	0	527.703	3.357	1	0		KGAFRM
CC(C)c1csc(CCc2ccn3c(c2)nc(N2CCC[C@@H](OC(N)=O)C2)c(/C=C/C(=O)[O-])c3=O)n1	ZINC000027552563	561868328	/nfs/dbraw/zinc/86/83/28/561868328.db2.gz	QMCIEVALOKERBU-DBWMJRBXSA-N	-1	0	511.604	3.222	1	0		KGAFRM
CC(C)c1csc(CCc2ccn3c(c2)nc(N2CCC[C@H](OC(N)=O)C2)c(/C=C/C(=O)[O-])c3=O)n1	ZINC000027552565	561868375	/nfs/dbraw/zinc/86/83/75/561868375.db2.gz	QMCIEVALOKERBU-JKNJVXJCSA-N	-1	0	511.604	3.222	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@H]1C[C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)N[C@H](CC(=O)[O-])Cc3ccccc3)N2C1=O	ZINC000027552859	561868536	/nfs/dbraw/zinc/86/85/36/561868536.db2.gz	FORFDJKYIXRELO-ABQRKTDGSA-N	-1	0	546.624	3.462	1	0		KGAFRM
[NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(C(=O)[O-])c2)c(I)c1)C(=O)[O-]	ZINC000027620017	561872387	/nfs/dbraw/zinc/87/23/87/561872387.db2.gz	NEQNNMIRPRDTGX-LBPRGKRZSA-N	-1	0	569.089	3.046	1	0		KGAFRM
[NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(C(=O)[O-])c2)c(I)c1)C(=O)[O-]	ZINC000027620023	561872377	/nfs/dbraw/zinc/87/23/77/561872377.db2.gz	NEQNNMIRPRDTGX-GFCCVEGCSA-N	-1	0	569.089	3.046	1	0		KGAFRM
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)C[N-]C(=O)C(F)(F)F)CC2	ZINC000027624090	561872898	/nfs/dbraw/zinc/87/28/98/561872898.db2.gz	WEPLQYDVWAVBRX-HNNXBMFYSA-N	-1	0	526.533	3.244	1	0		KGAFRM
CO[C@@]12CCCC[C@]1(OC)O[C@@H]1[C@@H](OCc3ccccc3)[C@H](OCC(=O)[O-])O[C@@H](COCC(C)C)[C@@H]1O2	ZINC000027637080	561874664	/nfs/dbraw/zinc/87/46/64/561874664.db2.gz	QEHUKKQTQIYBMJ-CMDQHZQESA-N	-1	0	524.607	3.114	1	0		KGAFRM
CO[C@@]12CCCC[C@]1(OC)O[C@@H]1[C@@H](OCc3ccccc3)[C@H](OCC(=O)[O-])O[C@@H](COCC(C)C)[C@H]1O2	ZINC000027637085	561874667	/nfs/dbraw/zinc/87/46/67/561874667.db2.gz	QEHUKKQTQIYBMJ-OYZXCHQLSA-N	-1	0	524.607	3.114	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)CN1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1=O)c1cnc2ccccc2c1	ZINC000027641598	561875453	/nfs/dbraw/zinc/87/54/53/561875453.db2.gz	LEEJTINVSSJMDG-DVECYGJZSA-N	-1	0	501.587	3.101	1	0		KGAFRM
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(OCC(=O)[O-])cc1)C(C)C)C(=O)c1nc2ccccc2o1	ZINC000027644073	561875501	/nfs/dbraw/zinc/87/55/01/561875501.db2.gz	WKSGBJHELSKLHB-HRNNMHKYSA-N	-1	0	592.649	3.060	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CN(C)C(=O)c2ccc3c(cnn3CCCNc3ccccn3)c2)C(=O)[O-])c(C)c1	ZINC000027645731	561875781	/nfs/dbraw/zinc/87/57/81/561875781.db2.gz	PTYSBCUQKADVEM-DEOSSOPVSA-N	-1	0	578.695	3.362	1	0		KGAFRM
CCOC(=O)C1=C(COCCNc2n[nH]c(=O)[n-]2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl	ZINC000027652423	561876833	/nfs/dbraw/zinc/87/68/33/561876833.db2.gz	KWUWBNSVYMXREC-TXCMAPRMSA-N	-1	0	526.377	3.325	1	0		KGAFRM
CCOC(=O)C1=C(COCCNc2n[nH]c(=O)[n-]2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl	ZINC000027652427	561876818	/nfs/dbraw/zinc/87/68/18/561876818.db2.gz	KWUWBNSVYMXREC-HNOLQLOCSA-N	-1	0	526.377	3.325	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(cnn3CCCNc3ccccn3)c2)C(=O)[O-])c(C)c1	ZINC000027657244	561878074	/nfs/dbraw/zinc/87/80/74/561878074.db2.gz	BDSVWPXYUWYWIQ-QHCPKHFHSA-N	-1	0	564.668	3.020	1	0		KGAFRM
Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCCC(=O)[O-])C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C	ZINC000027657952	561878261	/nfs/dbraw/zinc/87/82/61/561878261.db2.gz	FZZCILLULGPRLZ-FRJUPVQCSA-N	-1	0	726.893	3.287	1	0		KGAFRM
CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H](CCO)C(=O)[O-])O1	ZINC000027708321	561879180	/nfs/dbraw/zinc/87/91/80/561879180.db2.gz	ZPJYUPAWELQATJ-UBMIFXKHSA-N	-1	0	528.614	3.332	1	0		KGAFRM
CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(S[C@@H](CCO)C(=O)[O-])O1	ZINC000027708328	561879170	/nfs/dbraw/zinc/87/91/70/561879170.db2.gz	ZPJYUPAWELQATJ-XQPPWWEHSA-N	-1	0	528.614	3.332	1	0		KGAFRM
C[C@@]1(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000027712060	561879780	/nfs/dbraw/zinc/87/97/80/561879780.db2.gz	WHAMHFBSIWLDIJ-RXVVDRJESA-N	-1	0	501.388	3.054	1	0		KGAFRM
COc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1	ZINC000027712421	561879941	/nfs/dbraw/zinc/87/99/41/561879941.db2.gz	RXOAYEHOAAHUMM-UGKGYDQZSA-N	-1	0	515.415	3.357	1	0		KGAFRM
C[C@@]1(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000027717772	561880254	/nfs/dbraw/zinc/88/02/54/561880254.db2.gz	JQZNUGKWTQHGEY-RXVVDRJESA-N	-1	0	503.379	3.488	1	0		KGAFRM
C[C@@]1(C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000027717788	561880231	/nfs/dbraw/zinc/88/02/31/561880231.db2.gz	JPDURLRTQZCKKD-RXVVDRJESA-N	-1	0	503.379	3.488	1	0		KGAFRM
C[C@@]1(C(=O)N[C@@H](Cc2ccccc2F)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000027726013	561881036	/nfs/dbraw/zinc/88/10/36/561881036.db2.gz	YZZMJHSHQYXEFZ-RXVVDRJESA-N	-1	0	503.379	3.488	1	0		KGAFRM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1Cc2cc3ccccc3cc2C1=O)C(=O)[O-]	ZINC000027733824	561881562	/nfs/dbraw/zinc/88/15/62/561881562.db2.gz	WKFUXNDEVSIEGA-PKTNWEFCSA-N	-1	0	558.679	3.117	1	0		KGAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN(c3ccc4ccccc4c3)S(=O)(=O)c3ccccc3)[C@H](C)[C@H]12	ZINC000027740101	561882359	/nfs/dbraw/zinc/88/23/59/561882359.db2.gz	RXDQNJMPSDCZSF-SMGXNKOPSA-N	-1	0	506.580	3.231	1	0		KGAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CN(c3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)[C@H]12	ZINC000027741149	561882513	/nfs/dbraw/zinc/88/25/13/561882513.db2.gz	HXZSXHMWVCCDAS-SMGXNKOPSA-N	-1	0	506.580	3.231	1	0		KGAFRM
CC(C)C[C@H]([NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])cc1	ZINC000027744128	561882823	/nfs/dbraw/zinc/88/28/23/561882823.db2.gz	DMYQQPUOQMOFJU-RPBOFIJWSA-N	-1	0	545.592	3.298	1	0		KGAFRM
CC(=O)N[C@@H](Cc1ccc(C[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1	ZINC000027745271	561882933	/nfs/dbraw/zinc/88/29/33/561882933.db2.gz	VAUMRIIUBCMOSB-BVZFJXPGSA-N	-1	0	559.600	3.347	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)[O-])CC(F)F	ZINC000027749740	561883265	/nfs/dbraw/zinc/88/32/65/561883265.db2.gz	DZERJEVGAUXAKW-ONZODILHSA-N	-1	0	513.582	3.473	1	0		KGAFRM
O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027760258	561883966	/nfs/dbraw/zinc/88/39/66/561883966.db2.gz	GPHAFXZAUZEZOR-QFBILLFUSA-N	-1	0	503.652	3.431	1	0		KGAFRM
O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@H]2[C@@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027760265	561883976	/nfs/dbraw/zinc/88/39/76/561883976.db2.gz	GPHAFXZAUZEZOR-LPHOPBHVSA-N	-1	0	503.652	3.431	1	0		KGAFRM
O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027760271	561883947	/nfs/dbraw/zinc/88/39/47/561883947.db2.gz	GPHAFXZAUZEZOR-VQIMIIECSA-N	-1	0	503.652	3.431	1	0		KGAFRM
O=C([O-])C1=C(CSc2nc3ccccc3s2)CS[C@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12	ZINC000027760278	561883968	/nfs/dbraw/zinc/88/39/68/561883968.db2.gz	GPHAFXZAUZEZOR-APWZRJJASA-N	-1	0	503.652	3.431	1	0		KGAFRM
CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)[O-])NC(=O)NCc1ccccc1	ZINC000027861979	561887114	/nfs/dbraw/zinc/88/71/14/561887114.db2.gz	MXWOGCNBRODQON-NGDRWEMDSA-N	-1	0	692.814	3.063	1	0		KGAFRM
CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1ccccc1	ZINC000027867157	561887868	/nfs/dbraw/zinc/88/78/68/561887868.db2.gz	SSPNCKHREPFWME-AYQJTBPPSA-N	-1	0	691.826	3.312	1	0		KGAFRM
CCCCOC(=O)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCCC)NC(=O)[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1	ZINC000027867164	561887821	/nfs/dbraw/zinc/88/78/21/561887821.db2.gz	MHGLIIKLKDVRLO-NGDRWEMDSA-N	-1	0	693.798	3.490	1	0		KGAFRM
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000027876569	561888665	/nfs/dbraw/zinc/88/86/65/561888665.db2.gz	OGATVNIGZXFFCD-FDFHNCONSA-N	-1	0	508.508	3.091	1	0		KGAFRM
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000027877796	561888766	/nfs/dbraw/zinc/88/87/66/561888766.db2.gz	YPGYLYVEQCBUTM-XPWALMASSA-N	-1	0	506.536	3.407	1	0		KGAFRM
Cc1cc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc(CCC(=O)[O-])[n+]1CCO	ZINC000027881363	561889176	/nfs/dbraw/zinc/88/91/76/561889176.db2.gz	KFRIHVNXKALLPP-ZEQKJWHPSA-O	-1	0	673.642	3.222	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)[O-]	ZINC000027903853	561891311	/nfs/dbraw/zinc/89/13/11/561891311.db2.gz	ZRFQYRWSJDQKRT-BYZIZWJUSA-N	-1	0	653.821	3.303	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)[O-]	ZINC000027903860	561891358	/nfs/dbraw/zinc/89/13/58/561891358.db2.gz	ZRFQYRWSJDQKRT-SFUUDZQWSA-N	-1	0	653.821	3.303	1	0		KGAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1	ZINC000027989012	561892652	/nfs/dbraw/zinc/89/26/52/561892652.db2.gz	OPJBDVVJACDHPY-RBISFHTESA-N	-1	0	539.606	3.116	1	0		KGAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCOC2)C(=O)[O-])cc1	ZINC000027989020	561892703	/nfs/dbraw/zinc/89/27/03/561892703.db2.gz	OPJBDVVJACDHPY-DWACAAAGSA-N	-1	0	539.606	3.116	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCS(=O)CC2)C(=O)[O-])cc1	ZINC000027989410	561892815	/nfs/dbraw/zinc/89/28/15/561892815.db2.gz	TXTKZSBIOMEMHC-UGUNWOKGSA-N	-1	0	555.674	3.229	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(S(=O)(=O)c3ccccc3)CCCN(C)C2)C(=O)[O-])cc1	ZINC000027991295	561893068	/nfs/dbraw/zinc/89/30/68/561893068.db2.gz	FKEVPOLPQDCFDG-ABYGYWHVSA-N	-1	0	536.650	3.412	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCCN(C)C2)C(=O)[O-])cc1	ZINC000027991301	561893092	/nfs/dbraw/zinc/89/30/92/561893092.db2.gz	FKEVPOLPQDCFDG-SVEHJYQDSA-N	-1	0	536.650	3.412	1	0		KGAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCN(C)CC2)C(=O)[O-])cc1	ZINC000027995362	561893736	/nfs/dbraw/zinc/89/37/36/561893736.db2.gz	ILKTTWKSRXZSRE-VWLOTQADSA-N	-1	0	536.650	3.412	1	0		KGAFRM
CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)NC(=O)[C@@H]1CC(=O)[O-]	ZINC000027999439	561894387	/nfs/dbraw/zinc/89/43/87/561894387.db2.gz	NZIAQNWQWOCPMT-HRNNMHKYSA-N	-1	0	532.641	3.044	1	0		KGAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(S(=O)(=O)c3ccccc3)CCN(C)CC2)C(=O)[O-])cc1	ZINC000027999972	561894501	/nfs/dbraw/zinc/89/45/01/561894501.db2.gz	WPKLWLSFNMQEKC-DEOSSOPVSA-N	-1	0	566.676	3.421	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCC(=O)[O-]	ZINC000028000907	561894719	/nfs/dbraw/zinc/89/47/19/561894719.db2.gz	CSFPMIPVKVIPJG-BJKOFHAPSA-N	-1	0	541.693	3.187	1	0		KGAFRM
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000028002253	561894981	/nfs/dbraw/zinc/89/49/81/561894981.db2.gz	FDCOCMQCSJDOLN-KCHLEUMXSA-N	-1	0	698.745	3.249	1	0		KGAFRM
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000028002259	561894964	/nfs/dbraw/zinc/89/49/64/561894964.db2.gz	FDCOCMQCSJDOLN-PKTNWEFCSA-N	-1	0	698.745	3.249	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NC(C)(C)C(=O)[O-]	ZINC000028004145	561895239	/nfs/dbraw/zinc/89/52/39/561895239.db2.gz	PNIOOYSMYALOCP-XZOQPEGZSA-N	-1	0	541.693	3.185	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000028005069	561895379	/nfs/dbraw/zinc/89/53/79/561895379.db2.gz	CFADQZMIUQTSPC-FWEHEUNISA-N	-1	0	686.753	3.271	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000028005074	561895289	/nfs/dbraw/zinc/89/52/89/561895289.db2.gz	CFADQZMIUQTSPC-WKAQUBQDSA-N	-1	0	686.753	3.271	1	0		KGAFRM
CCS(=O)(=O)NCCOc1nc(-c2ccncc2)nc([N-]S(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC	ZINC000028008404	561895952	/nfs/dbraw/zinc/89/59/52/561895952.db2.gz	KPQBEJDBDRNENR-UHFFFAOYSA-N	-1	0	600.679	3.162	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000028011605	561896502	/nfs/dbraw/zinc/89/65/02/561896502.db2.gz	CFADQZMIUQTSPC-XUJYPJAKSA-N	-1	0	686.753	3.271	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000028011611	561896497	/nfs/dbraw/zinc/89/64/97/561896497.db2.gz	CFADQZMIUQTSPC-XDZXDJIYSA-N	-1	0	686.753	3.271	1	0		KGAFRM
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015128	561897175	/nfs/dbraw/zinc/89/71/75/561897175.db2.gz	ZZYNRUGWAYMLDW-UIOOFZCWSA-N	-1	0	582.613	3.164	1	0		KGAFRM
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015133	561897150	/nfs/dbraw/zinc/89/71/50/561897150.db2.gz	ZZYNRUGWAYMLDW-IZZNHLLZSA-N	-1	0	582.613	3.164	1	0		KGAFRM
CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015137	561897118	/nfs/dbraw/zinc/89/71/18/561897118.db2.gz	ZZYNRUGWAYMLDW-FTJBHMTQSA-N	-1	0	582.613	3.164	1	0		KGAFRM
CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015141	561897132	/nfs/dbraw/zinc/89/71/32/561897132.db2.gz	ZZYNRUGWAYMLDW-CLJLJLNGSA-N	-1	0	582.613	3.164	1	0		KGAFRM
CCCCCC(=O)NCC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015795	561897267	/nfs/dbraw/zinc/89/72/67/561897267.db2.gz	TWDXDBXTMJQLRD-JWQCQUIFSA-N	-1	0	576.650	3.430	1	0		KGAFRM
CCCCCC(=O)NCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015800	561897256	/nfs/dbraw/zinc/89/72/56/561897256.db2.gz	TWDXDBXTMJQLRD-LOSJGSFVSA-N	-1	0	576.650	3.430	1	0		KGAFRM
CCCCCC(=O)NCC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015805	561897289	/nfs/dbraw/zinc/89/72/89/561897289.db2.gz	TWDXDBXTMJQLRD-RPBOFIJWSA-N	-1	0	576.650	3.430	1	0		KGAFRM
CCCCCC(=O)NCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028015810	561897271	/nfs/dbraw/zinc/89/72/71/561897271.db2.gz	TWDXDBXTMJQLRD-DQEYMECFSA-N	-1	0	576.650	3.430	1	0		KGAFRM
CCOC(=O)C1CCN(CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1	ZINC000028017905	561897730	/nfs/dbraw/zinc/89/77/30/561897730.db2.gz	NYMDUNGZNSTSRO-KAYWLYCHSA-N	-1	0	618.687	3.009	1	0		KGAFRM
CCOC(=O)C1CCN(CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1	ZINC000028017910	561897709	/nfs/dbraw/zinc/89/77/09/561897709.db2.gz	NYMDUNGZNSTSRO-RRPNLBNLSA-N	-1	0	618.687	3.009	1	0		KGAFRM
CCOC(=O)C1CCN(CC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1	ZINC000028017914	561897739	/nfs/dbraw/zinc/89/77/39/561897739.db2.gz	NYMDUNGZNSTSRO-SXOMAYOGSA-N	-1	0	618.687	3.009	1	0		KGAFRM
CCOC(=O)C1CCN(CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1	ZINC000028017918	561897741	/nfs/dbraw/zinc/89/77/41/561897741.db2.gz	NYMDUNGZNSTSRO-SVBPBHIXSA-N	-1	0	618.687	3.009	1	0		KGAFRM
CCCS(=O)(=O)NCCOc1nc(N2CCOCC2)nc([N-]S(=O)(=O)c2ccc(C(C)C)cn2)c1Oc1ccccc1OC	ZINC000028018631	561897960	/nfs/dbraw/zinc/89/79/60/561897960.db2.gz	RQNOIZBVICJIJP-UHFFFAOYSA-N	-1	0	650.780	3.142	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000028020037	561898223	/nfs/dbraw/zinc/89/82/23/561898223.db2.gz	QHBUUVXOSDZZGA-ASDGIDEWSA-N	-1	0	672.726	3.401	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000028020042	561898231	/nfs/dbraw/zinc/89/82/31/561898231.db2.gz	QHBUUVXOSDZZGA-KEVKATSASA-N	-1	0	672.726	3.401	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028020047	561898243	/nfs/dbraw/zinc/89/82/43/561898243.db2.gz	QHBUUVXOSDZZGA-CQJMVLFOSA-N	-1	0	672.726	3.401	1	0		KGAFRM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028020052	561898201	/nfs/dbraw/zinc/89/82/01/561898201.db2.gz	QHBUUVXOSDZZGA-RSYZFUPGSA-N	-1	0	672.726	3.401	1	0		KGAFRM
O=S(=O)([N-]S(=O)(=O)NCCc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)c(Cl)c1	ZINC000028022328	561898682	/nfs/dbraw/zinc/89/86/82/561898682.db2.gz	YROUGTVENLEHKW-UHFFFAOYSA-N	-1	0	521.275	3.344	1	0		KGAFRM
COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(N2CCOCC2)nc1OCCNS(=O)(=O)c1cccs1	ZINC000028088505	561899516	/nfs/dbraw/zinc/89/95/16/561899516.db2.gz	JGEXEIBPRHWMSL-UHFFFAOYSA-N	-1	0	662.772	3.037	1	0		KGAFRM
Cc1[nH]c([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2CCC(O)CC2)nc1C(=O)[O-]	ZINC000028096339	561900885	/nfs/dbraw/zinc/90/08/85/561900885.db2.gz	OIRFLUFRRLMDFN-PHFCHIBXSA-N	-1	0	552.676	3.325	1	0		KGAFRM
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000028097776	561901100	/nfs/dbraw/zinc/90/11/00/561901100.db2.gz	MTEYIGBTTNVDSH-UPRLRBBYSA-N	-1	0	587.673	3.436	1	0		KGAFRM
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000028097782	561901082	/nfs/dbraw/zinc/90/10/82/561901082.db2.gz	MTEYIGBTTNVDSH-HZFUHODCSA-N	-1	0	587.673	3.436	1	0		KGAFRM
CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)[O-]	ZINC000028099199	561901218	/nfs/dbraw/zinc/90/12/18/561901218.db2.gz	RGGBJXQQHOWVSH-ZWKOTPCHSA-N	-1	0	511.383	3.246	1	0		KGAFRM
CCCS(=O)(=O)NCCOc1nc(C2CC2)nc([N-]S(=O)(=O)c2ccc(C)cn2)c1Oc1ccccc1OC	ZINC000028099315	561901255	/nfs/dbraw/zinc/90/12/55/561901255.db2.gz	JTNMQFVZMZRTQJ-UHFFFAOYSA-N	-1	0	577.685	3.367	1	0		KGAFRM
CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000028102133	561901822	/nfs/dbraw/zinc/90/18/22/561901822.db2.gz	MTEYIGBTTNVDSH-IARZGTGTSA-N	-1	0	587.673	3.436	1	0		KGAFRM
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000028102139	561901778	/nfs/dbraw/zinc/90/17/78/561901778.db2.gz	MTEYIGBTTNVDSH-KCHLEUMXSA-N	-1	0	587.673	3.436	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1nccc(C(F)(F)F)n1	ZINC000028103208	561901963	/nfs/dbraw/zinc/90/19/63/561901963.db2.gz	NFFYGTMOTZXPRL-UUOWRZLLSA-N	-1	0	592.596	3.489	1	0		KGAFRM
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028107332	561902436	/nfs/dbraw/zinc/90/24/36/561902436.db2.gz	XICFXUPHXZNGBI-DQEYMECFSA-N	-1	0	546.624	3.219	1	0		KGAFRM
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028107339	561902474	/nfs/dbraw/zinc/90/24/74/561902474.db2.gz	XICFXUPHXZNGBI-LOSJGSFVSA-N	-1	0	546.624	3.219	1	0		KGAFRM
CC[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028107346	561902411	/nfs/dbraw/zinc/90/24/11/561902411.db2.gz	XICFXUPHXZNGBI-RPBOFIJWSA-N	-1	0	546.624	3.219	1	0		KGAFRM
CC[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028107352	561902425	/nfs/dbraw/zinc/90/24/25/561902425.db2.gz	XICFXUPHXZNGBI-JWQCQUIFSA-N	-1	0	546.624	3.219	1	0		KGAFRM
Cc1cc(C)nc(SCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)COc2cccc3ccccc32)C(C)C)n1	ZINC000028109299	561902903	/nfs/dbraw/zinc/90/29/03/561902903.db2.gz	LJIXHJFWLUMTMX-LVXARBLLSA-N	-1	0	552.653	3.087	1	0		KGAFRM
Cc1[nH]c([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NS(=O)(=O)N2CCCCCC2)nc1C(=O)[O-]	ZINC000028109998	561902905	/nfs/dbraw/zinc/90/29/05/561902905.db2.gz	SUIZQMMARZLPOK-PKTZIBPZSA-N	-1	0	558.705	3.423	1	0		KGAFRM
COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)c1OC(=O)CCCCCC(=O)[O-]	ZINC000028110699	561903043	/nfs/dbraw/zinc/90/30/43/561903043.db2.gz	YHLAHGPVOLXUFD-HQGMYGGFSA-N	-1	0	656.685	3.044	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSc1ccccn1	ZINC000028113211	561903402	/nfs/dbraw/zinc/90/34/02/561903402.db2.gz	WVRULLJJSXSSIV-FNZWTVRRSA-N	-1	0	523.611	3.075	1	0		KGAFRM
CC(C)[C@H](NC(=O)COc1cccc2ccccc21)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1nncc(Cl)c1Cl	ZINC000028116868	561903909	/nfs/dbraw/zinc/90/39/09/561903909.db2.gz	CQOYYHYPWWEQOR-UUOWRZLLSA-N	-1	0	577.421	3.064	1	0		KGAFRM
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028132941	561906039	/nfs/dbraw/zinc/90/60/39/561906039.db2.gz	YSDNTHYUFYFOEN-UNMCSNQZSA-N	-1	0	566.659	3.347	1	0		KGAFRM
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCc1ccccc1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O	ZINC000028132947	561906058	/nfs/dbraw/zinc/90/60/58/561906058.db2.gz	YSDNTHYUFYFOEN-RBBKRZOGSA-N	-1	0	566.659	3.347	1	0		KGAFRM
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(-c3ccccc3)o2)c1=O	ZINC000028133595	561906152	/nfs/dbraw/zinc/90/61/52/561906152.db2.gz	JPCVJWQLKRHLRX-VXKWHMMOSA-N	-1	0	590.662	3.319	1	0		KGAFRM
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(-c3ccccc3)o2)c1=O	ZINC000028133601	561906159	/nfs/dbraw/zinc/90/61/59/561906159.db2.gz	JPCVJWQLKRHLRX-FCHUYYIVSA-N	-1	0	590.662	3.319	1	0		KGAFRM
CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O	ZINC000028136327	561906667	/nfs/dbraw/zinc/90/66/67/561906667.db2.gz	DONUNLOVYIQJNS-PMACEKPBSA-N	-1	0	528.656	3.330	1	0		KGAFRM
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O	ZINC000028136335	561906576	/nfs/dbraw/zinc/90/65/76/561906576.db2.gz	DONUNLOVYIQJNS-VQTJNVASSA-N	-1	0	528.656	3.330	1	0		KGAFRM
CCCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cc(C(C)(CC)CC)nc(NCc2nonc2C)c1=O	ZINC000028137447	561906934	/nfs/dbraw/zinc/90/69/34/561906934.db2.gz	MTGSTDMYYFQKEE-LADGPHEKSA-N	-1	0	632.807	3.163	1	0		KGAFRM
CCCCCCN(C)CNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cc(C(C)(CC)CC)nc(NCc2nonc2C)c1=O	ZINC000028137454	561906907	/nfs/dbraw/zinc/90/69/07/561906907.db2.gz	MTGSTDMYYFQKEE-UPVQGACJSA-N	-1	0	632.807	3.163	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)NCCc1ccccc1	ZINC000028220481	561907296	/nfs/dbraw/zinc/90/72/96/561907296.db2.gz	AOGYJTPQNKQETC-KCHLEUMXSA-N	-1	0	635.762	3.453	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000028225174	561907769	/nfs/dbraw/zinc/90/77/69/561907769.db2.gz	NYAJSMZPXCCMPF-JQXZYWDBSA-N	-1	0	661.634	3.254	1	0		KGAFRM
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OC[C@H](C(=O)[O-])O4)c(Cl)c2)CC1	ZINC000028225769	561908090	/nfs/dbraw/zinc/90/80/90/561908090.db2.gz	JKIWMIGBZFKLHT-ZGHBNVOCSA-N	-1	0	502.976	3.420	1	0		KGAFRM
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OC[C@@H](C(=O)[O-])O4)c(Cl)c2)CC1	ZINC000028225773	561908092	/nfs/dbraw/zinc/90/80/92/561908092.db2.gz	JKIWMIGBZFKLHT-IVYDRHTBSA-N	-1	0	502.976	3.420	1	0		KGAFRM
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)[P@@](=O)([O-])C[C@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1	ZINC000028235670	561909606	/nfs/dbraw/zinc/90/96/06/561909606.db2.gz	SNARVSKRSPZKKQ-QJFAFGJBSA-N	-1	0	657.749	3.167	1	0		KGAFRM
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)[P@@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1	ZINC000028235675	561909601	/nfs/dbraw/zinc/90/96/01/561909601.db2.gz	SNARVSKRSPZKKQ-NMKLKRETSA-N	-1	0	657.749	3.167	1	0		KGAFRM
Cc1ccc2c(c1Cl)CN(S(=O)(=O)[N-]S(=O)(=O)N1CCc3ccc(C)c(Cl)c3C1)CC2	ZINC000028245492	561910750	/nfs/dbraw/zinc/91/07/50/561910750.db2.gz	DBWSVIPGKDJDLH-UHFFFAOYSA-N	-1	0	504.461	3.106	1	0		KGAFRM
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)c2nc3cc(C(=O)[O-])ccc3o2)c1=O	ZINC000028265686	561912601	/nfs/dbraw/zinc/91/26/01/561912601.db2.gz	WCVIFBQCHLWPOT-QFIPXVFZSA-N	-1	0	555.522	3.081	1	0		KGAFRM
Nc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)c2nc3cc(C(=O)[O-])ccc3o2)c1=O	ZINC000028265691	561912561	/nfs/dbraw/zinc/91/25/61/561912561.db2.gz	WCVIFBQCHLWPOT-JOCHJYFZSA-N	-1	0	555.522	3.081	1	0		KGAFRM
CCOC(=O)c1sc([N-]c2nc3c(c(N4CCN(C)CC4)n2)OCCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C	ZINC000028337718	561913635	/nfs/dbraw/zinc/91/36/35/561913635.db2.gz	HWTBQWVREIVKID-UHFFFAOYSA-N	-1	0	599.714	3.338	1	0		KGAFRM
CCOC(=O)c1sc([N-]c2nc3c(ncn3Cc3ccc(S(C)(=O)=O)cc3)c(NC)n2)nc1C	ZINC000028347754	561915204	/nfs/dbraw/zinc/91/52/04/561915204.db2.gz	RFOSHOZHPJLOCF-UHFFFAOYSA-N	-1	0	501.594	3.005	1	0		KGAFRM
CCOC(=O)c1sc([N-]c2nc3c(c(NC)n2)CCN3Cc2ccc(S(C)(=O)=O)cc2)nc1C	ZINC000028351120	561915477	/nfs/dbraw/zinc/91/54/77/561915477.db2.gz	BAJNVJUBAWVWEZ-UHFFFAOYSA-N	-1	0	502.622	3.170	1	0		KGAFRM
O=C([O-])[C@@H](CNC(=O)c1cc2cc(OCCONC(=O)NCc3ccccc3)ccc2[nH]1)NC(=O)OCc1ccccc1	ZINC000028362184	561917012	/nfs/dbraw/zinc/91/70/12/561917012.db2.gz	MNUGFFQELFMLGS-AREMUKBSSA-N	-1	0	589.605	3.087	1	0		KGAFRM
O=C([O-])[C@H](CNC(=O)c1cc2cc(OCCONC(=O)NCc3ccccc3)ccc2[nH]1)NC(=O)OCc1ccccc1	ZINC000028362191	561917057	/nfs/dbraw/zinc/91/70/57/561917057.db2.gz	MNUGFFQELFMLGS-SANMLTNESA-N	-1	0	589.605	3.087	1	0		KGAFRM
Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1	ZINC000028363259	561917206	/nfs/dbraw/zinc/91/72/06/561917206.db2.gz	ITXAAOWFOURIHK-XMMPIXPASA-N	-1	0	522.602	3.122	1	0		KGAFRM
C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4Cc5nn(CCO)cc5C[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000028368561	561917972	/nfs/dbraw/zinc/91/79/72/561917972.db2.gz	PIRQUSPXLAPSLM-YYQHLPQRSA-N	-1	0	515.695	3.037	1	0		KGAFRM
CC(C)COC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(C(=O)[O-])cc1F)C(C)C	ZINC000028368950	561918073	/nfs/dbraw/zinc/91/80/73/561918073.db2.gz	PNZPPAFNQZUOHS-FIXSFTCYSA-N	-1	0	634.668	3.399	1	0		KGAFRM
NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cn2)[N-]C(=O)C(F)(F)F)cc1	ZINC000028377764	561919483	/nfs/dbraw/zinc/91/94/83/561919483.db2.gz	POFFDPCDBLYRAY-QGZVFWFLSA-N	-1	0	614.400	3.173	1	0		KGAFRM
NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H](CC(=O)Nc2ccc(Br)cn2)[N-]C(=O)C(F)(F)F)cc1	ZINC000028377771	561919470	/nfs/dbraw/zinc/91/94/70/561919470.db2.gz	POFFDPCDBLYRAY-KRWDZBQOSA-N	-1	0	614.400	3.173	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cnc2ccccc2c1	ZINC000028378354	561919684	/nfs/dbraw/zinc/91/96/84/561919684.db2.gz	BSTGKAROMCRBDW-RUZDIDTESA-N	-1	0	515.614	3.491	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)C1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cnc2ccccc2c1	ZINC000028378362	561919702	/nfs/dbraw/zinc/91/97/02/561919702.db2.gz	BSTGKAROMCRBDW-VWLOTQADSA-N	-1	0	515.614	3.491	1	0		KGAFRM
CC(C)c1cc(OCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)COc2cccc3ccccc32)C(C)C)no1	ZINC000028463083	561925671	/nfs/dbraw/zinc/92/56/71/561925671.db2.gz	PKXUBXCZXFFKNQ-DCFHFQCYSA-N	-1	0	539.585	3.078	1	0		KGAFRM
Cc1cc(COc2ccc(C3(N4CCN(C(=O)OC(C)(C)C)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1	ZINC000028468451	561926589	/nfs/dbraw/zinc/92/65/89/561926589.db2.gz	MUEJBYPIDLKGKN-UHFFFAOYSA-N	-1	0	559.623	3.236	1	0		KGAFRM
CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccnc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1	ZINC000028477192	561928408	/nfs/dbraw/zinc/92/84/08/561928408.db2.gz	FPNCOZXZDDMQLS-MMDQJTGWSA-N	-1	0	569.699	3.474	1	0		KGAFRM
CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccnc2)C[C@H]1C(=O)CC1(C(=O)[O-])CC1)C(C)C)C1CCCCC1	ZINC000028477195	561928446	/nfs/dbraw/zinc/92/84/46/561928446.db2.gz	FPNCOZXZDDMQLS-IUJPGNIVSA-N	-1	0	569.699	3.474	1	0		KGAFRM
C[C@H](NC(=O)C(=O)Nc1ccccc1-c1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl	ZINC000028526876	561932282	/nfs/dbraw/zinc/93/22/82/561932282.db2.gz	GKHVWLIRHANJNR-AOMKIAJQSA-N	-1	0	614.438	3.489	1	0		KGAFRM
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COC(=O)c1c(Cl)cccc1Cl	ZINC000028527747	561932521	/nfs/dbraw/zinc/93/25/21/561932521.db2.gz	NKXHLTPOYVGFQY-LIRRHRJNSA-N	-1	0	594.448	3.120	1	0		KGAFRM
CCC[C@@H](NC(=O)[C@H](CCC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028528093	561932806	/nfs/dbraw/zinc/93/28/06/561932806.db2.gz	DXVWBGGHXAXREN-QMGVEFKFSA-N	-1	0	701.862	3.151	1	0		KGAFRM
CCC[C@H](NC(=O)[C@H](CCC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028528094	561932778	/nfs/dbraw/zinc/93/27/78/561932778.db2.gz	DXVWBGGHXAXREN-ZHTHUIBPSA-N	-1	0	701.862	3.151	1	0		KGAFRM
C[C@H](NC(=O)C(=O)Nc1ccccc1Oc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1c(F)c(F)cc(F)c1F	ZINC000028528185	561932802	/nfs/dbraw/zinc/93/28/02/561932802.db2.gz	HMBBGXMJXSNZLZ-LIRRHRJNSA-N	-1	0	605.497	3.086	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4nnc(S(=O)(=O)Cc5ccccc5)s4)CC3)cc21	ZINC000028528346	561932874	/nfs/dbraw/zinc/93/28/74/561932874.db2.gz	QOZGYBFEIOHQSF-UHFFFAOYSA-N	-1	0	557.629	3.011	1	0		KGAFRM
CCC[C@@H](NC(=O)[C@@H]1Cc2cccc(c2)OCCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028528620	561933172	/nfs/dbraw/zinc/93/31/72/561933172.db2.gz	YTYNYIZOPRJABA-KZKDOPAFSA-N	-1	0	747.890	3.034	1	0		KGAFRM
CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)OCCCCCCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028528621	561933183	/nfs/dbraw/zinc/93/31/83/561933183.db2.gz	YTYNYIZOPRJABA-YVYLOCOQSA-N	-1	0	747.890	3.034	1	0		KGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(c4nnc(S(=O)(=O)Cc5ccccc5)s4)CC3)c(F)cc2c1=O	ZINC000028528640	561933169	/nfs/dbraw/zinc/93/31/69/561933169.db2.gz	OHZAURAPJLHLKF-UHFFFAOYSA-N	-1	0	569.640	3.326	1	0		KGAFRM
CCCCC[C@H](NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)N[C@@H](CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028528920	561933434	/nfs/dbraw/zinc/93/34/34/561933434.db2.gz	PVQNEPRTDDNIEP-ZHTHUIBPSA-N	-1	0	701.862	3.295	1	0		KGAFRM
CCCCC[C@H](NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)N[C@H](CCC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000028528921	561933435	/nfs/dbraw/zinc/93/34/35/561933435.db2.gz	PVQNEPRTDDNIEP-QMGVEFKFSA-N	-1	0	701.862	3.295	1	0		KGAFRM
C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc([O-])cc2S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000028528939	561933550	/nfs/dbraw/zinc/93/35/50/561933550.db2.gz	MOBFHSCFTJTLNA-AWEZNQCLSA-N	-1	0	530.045	3.321	1	0		KGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CCCCn4c(=O)cc(Nc5ccccc5)[nH]c4=O)CC3)c(F)cc2c1=O	ZINC000028568582	561937388	/nfs/dbraw/zinc/93/73/88/561937388.db2.gz	BYVGRESTQAOAGC-UHFFFAOYSA-N	-1	0	588.640	3.370	1	0		KGAFRM
CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4nc5c(cc4F)c(=O)c(C(=O)[O-])cn5CC)CC3)c(=O)[nH]2)ccc1C	ZINC000028570868	561939174	/nfs/dbraw/zinc/93/91/74/561939174.db2.gz	YYQUTMPTKZCVJC-UHFFFAOYSA-N	-1	0	619.698	3.321	1	0		KGAFRM
Cc1cccc(NC(=O)Cc2cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1	ZINC000028571583	561939365	/nfs/dbraw/zinc/93/93/65/561939365.db2.gz	JLZIFHBFOCXHRG-GOSISDBHSA-N	-1	0	515.526	3.352	1	0		KGAFRM
Cc1cccc(NC(=O)Cc2cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c3nc4cc(C(N)=[NH2+])ccc4[nH]3)c2O)c1	ZINC000028571584	561939404	/nfs/dbraw/zinc/93/94/04/561939404.db2.gz	JLZIFHBFOCXHRG-SFHVURJKSA-N	-1	0	515.526	3.352	1	0		KGAFRM
CNc1ccc(-c2ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc2C(=O)[O-])c(C(=O)Nc2cccc(C(N)=O)c2)c1	ZINC000028639483	561942544	/nfs/dbraw/zinc/94/25/44/561942544.db2.gz	BKIMALVYSLHLCL-DEOSSOPVSA-N	-1	0	545.596	3.075	1	0		KGAFRM
CCNc1ccc(-c2ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc2C(=O)[O-])c(C(=O)Nc2cccc(C(N)=O)c2)c1	ZINC000028639794	561942707	/nfs/dbraw/zinc/94/27/07/561942707.db2.gz	BSOFSYHGEFIPJU-VWLOTQADSA-N	-1	0	559.623	3.465	1	0		KGAFRM
CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2C(=O)Nc2cccc(C(N)=O)c2)c(C(=O)[O-])c1)C(N)=O	ZINC000028641808	561943348	/nfs/dbraw/zinc/94/33/48/561943348.db2.gz	ISHJBUKXCSVHQB-QHCPKHFHSA-N	-1	0	516.554	3.033	1	0		KGAFRM
CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-c2ccccc2C(=O)Nc2cccc(C(N)=O)c2)c(C(=O)[O-])c1	ZINC000028642000	561943373	/nfs/dbraw/zinc/94/33/73/561943373.db2.gz	RQBPGMNWMIPESV-DEOSSOPVSA-N	-1	0	530.581	3.294	1	0		KGAFRM
CCOC(=O)COc1cc(-c2cc([O-])c3c(=O)cc(OCC(=O)N4CCN(Cc5ccc(O)c6c5OCO6)CC4)cc-3o2)ccc1OC	ZINC000028703036	561947604	/nfs/dbraw/zinc/94/76/04/561947604.db2.gz	LQJSNTJLFZWYQT-UHFFFAOYSA-N	-1	0	662.648	3.274	1	0		KGAFRM
O=c1c2nc(Cc3ccc([N-]S(=O)(=O)c4cccnc4)cc3)[nH]c2n(CC2CC2)c(=O)n1Cc1ccccc1F	ZINC000028708911	561950576	/nfs/dbraw/zinc/95/05/76/561950576.db2.gz	YHOIVHSSQFCUQM-UHFFFAOYSA-N	-1	0	560.611	3.270	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3cc(Cl)ccn3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])c(C)c1	ZINC000028710169	561950984	/nfs/dbraw/zinc/95/09/84/561950984.db2.gz	DLORZJRWPLTLNY-VJGNERBWSA-N	-1	0	688.203	3.416	1	0		KGAFRM
Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@@H](CNc3cccc(C)n3)N(C(=O)OCc3ccccc3)C2)C(=O)[O-])c(C)c1	ZINC000028710170	561950985	/nfs/dbraw/zinc/95/09/85/561950985.db2.gz	BNEDPHPIEQKOBX-IARZGTGTSA-N	-1	0	667.785	3.071	1	0		KGAFRM
Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000028756809	561956492	/nfs/dbraw/zinc/95/64/92/561956492.db2.gz	GHWYBKPVWOOAPL-DEOSSOPVSA-N	-1	0	603.582	3.070	1	0		KGAFRM
Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000028756811	561956433	/nfs/dbraw/zinc/95/64/33/561956433.db2.gz	GHWYBKPVWOOAPL-XMMPIXPASA-N	-1	0	603.582	3.070	1	0		KGAFRM
Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000028756813	561956475	/nfs/dbraw/zinc/95/64/75/561956475.db2.gz	SNCGFOXGVUAVRV-DEOSSOPVSA-N	-1	0	603.582	3.070	1	0		KGAFRM
Cc1cccc(-c2ncc(N)c(=O)n2CC(=O)N[C@H](Cc2ccccc2)C(=O)C(F)(F)C(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC000028756815	561956441	/nfs/dbraw/zinc/95/64/41/561956441.db2.gz	SNCGFOXGVUAVRV-XMMPIXPASA-N	-1	0	603.582	3.070	1	0		KGAFRM
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000028760441	561957917	/nfs/dbraw/zinc/95/79/17/561957917.db2.gz	KZGJMDFWRSCWQN-UPRLRBBYSA-N	-1	0	637.674	3.444	1	0		KGAFRM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000028760443	561957872	/nfs/dbraw/zinc/95/78/72/561957872.db2.gz	KZGJMDFWRSCWQN-HZFUHODCSA-N	-1	0	637.674	3.444	1	0		KGAFRM
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](Cc1ccccc1)C[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000028761290	561958077	/nfs/dbraw/zinc/95/80/77/561958077.db2.gz	KZGJMDFWRSCWQN-JCYYIGJDSA-N	-1	0	637.674	3.444	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C(=O)Cc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1	ZINC000028763044	561958547	/nfs/dbraw/zinc/95/85/47/561958547.db2.gz	WVFVYHKXJBDHSE-WQZFRIBXSA-N	-1	0	668.832	3.003	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1	ZINC000028763063	561958553	/nfs/dbraw/zinc/95/85/53/561958553.db2.gz	YLZJDTWDUXGNGQ-HANUIDTKSA-N	-1	0	667.848	3.332	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1	ZINC000028763067	561958578	/nfs/dbraw/zinc/95/85/78/561958578.db2.gz	YLZJDTWDUXGNGQ-NCDSELOTSA-N	-1	0	667.848	3.332	1	0		KGAFRM
C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028763224	561958664	/nfs/dbraw/zinc/95/86/64/561958664.db2.gz	NKCRXBQSQKCSRJ-DFBJGRDBSA-N	-1	0	541.560	3.422	1	0		KGAFRM
C[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028763226	561958712	/nfs/dbraw/zinc/95/87/12/561958712.db2.gz	NKCRXBQSQKCSRJ-CLOONOSVSA-N	-1	0	541.560	3.422	1	0		KGAFRM
C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O	ZINC000028763228	561958674	/nfs/dbraw/zinc/95/86/74/561958674.db2.gz	DTLRGZQUTMTPDW-DFBJGRDBSA-N	-1	0	541.560	3.422	1	0		KGAFRM
C[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc32)c1=O	ZINC000028763230	561958641	/nfs/dbraw/zinc/95/86/41/561958641.db2.gz	DTLRGZQUTMTPDW-CLOONOSVSA-N	-1	0	541.560	3.422	1	0		KGAFRM
Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1	ZINC000028763568	561958809	/nfs/dbraw/zinc/95/88/09/561958809.db2.gz	WWTMIGWBZIKXGS-VWLOTQADSA-N	-1	0	541.560	3.170	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1	ZINC000028763581	561958778	/nfs/dbraw/zinc/95/87/78/561958778.db2.gz	ZPWKVMAYCMIMPO-JQPUVWCXSA-N	-1	0	683.847	3.168	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1	ZINC000028763585	561958785	/nfs/dbraw/zinc/95/87/85/561958785.db2.gz	ZPWKVMAYCMIMPO-HCZVRZFPSA-N	-1	0	683.847	3.168	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1	ZINC000028763759	561958790	/nfs/dbraw/zinc/95/87/90/561958790.db2.gz	YLZJDTWDUXGNGQ-JQPUVWCXSA-N	-1	0	667.848	3.332	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1)C(C)C)C(=O)N(C)c1ccccn1	ZINC000028763763	561958806	/nfs/dbraw/zinc/95/88/06/561958806.db2.gz	YLZJDTWDUXGNGQ-HCZVRZFPSA-N	-1	0	667.848	3.332	1	0		KGAFRM
Cc1ccc(NC(=O)c2cccc3ccccc32)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1	ZINC000028763874	561958946	/nfs/dbraw/zinc/95/89/46/561958946.db2.gz	KESVLBIQXROIKT-VWLOTQADSA-N	-1	0	541.560	3.170	1	0		KGAFRM
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1	ZINC000028764038	561958928	/nfs/dbraw/zinc/95/89/28/561958928.db2.gz	MFMCGQNQIVGFRU-ZEZDXWPOSA-N	-1	0	573.646	3.193	1	0		KGAFRM
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)[O-])C(=O)COc1ccccc1	ZINC000028764040	561958857	/nfs/dbraw/zinc/95/88/57/561958857.db2.gz	MFMCGQNQIVGFRU-ALTZYDRJSA-N	-1	0	573.646	3.193	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C	ZINC000028764269	581097575	/nfs/dbraw/zinc/09/75/75/581097575.db2.gz	PSWWSKOMFPZUDY-LURZDMEYSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C	ZINC000028764270	561959041	/nfs/dbraw/zinc/95/90/41/561959041.db2.gz	PSWWSKOMFPZUDY-SCLBOMKCSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C	ZINC000028764272	581097544	/nfs/dbraw/zinc/09/75/44/581097544.db2.gz	PSWWSKOMFPZUDY-XTLHXILPSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C(=O)COc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C	ZINC000028764274	561959052	/nfs/dbraw/zinc/95/90/52/561959052.db2.gz	PSWWSKOMFPZUDY-GDURNGGLSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CCc1ccc(NC(=O)c2cccc3ccccc32)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1	ZINC000028764400	561959032	/nfs/dbraw/zinc/95/90/32/561959032.db2.gz	MRRYDJDMUYCCIP-SANMLTNESA-N	-1	0	555.587	3.424	1	0		KGAFRM
COC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028764974	561959360	/nfs/dbraw/zinc/95/93/60/561959360.db2.gz	DTFHGPRVTVQJLI-UIOOFZCWSA-N	-1	0	571.586	3.049	1	0		KGAFRM
COC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O	ZINC000028764976	561959371	/nfs/dbraw/zinc/95/93/71/561959371.db2.gz	DTFHGPRVTVQJLI-IZZNHLLZSA-N	-1	0	571.586	3.049	1	0		KGAFRM
C[C@H](NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)[O-])cc1)c1ccccc1	ZINC000028771342	561961486	/nfs/dbraw/zinc/96/14/86/561961486.db2.gz	WXQLXHGOKLKOED-XZZVZQAVSA-N	-1	0	513.594	3.481	1	0		KGAFRM
CC(=O)c1ccccc1NC(=O)c1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)[O-])cc1	ZINC000028771391	561961510	/nfs/dbraw/zinc/96/15/10/561961510.db2.gz	GCGFNLKBMXKEBC-UIOOFZCWSA-N	-1	0	527.577	3.445	1	0		KGAFRM
COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NC(=O)c3cc5c(cc3C(=O)[O-])SCC(=O)N5)C4)c2c1	ZINC000028817516	561964984	/nfs/dbraw/zinc/96/49/84/561964984.db2.gz	OBSWTYHTOQGMDX-HNNXBMFYSA-N	-1	0	529.578	3.459	1	0		KGAFRM
COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc5c(cc3C(=O)[O-])SCC(=O)N5)C4)c2c1	ZINC000028817518	561964911	/nfs/dbraw/zinc/96/49/11/561964911.db2.gz	OBSWTYHTOQGMDX-OAHLLOKOSA-N	-1	0	529.578	3.459	1	0		KGAFRM
CCCN(C(=O)[C@@H](CC(=O)[O-])C(=O)[O-])C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000028869579	561973877	/nfs/dbraw/zinc/97/38/77/561973877.db2.gz	JBDGQWLVCASPKI-YADHBBJMSA-N	-1	0	520.586	3.132	1	0		KGAFRM
CCCN(C(=O)[C@H](CC(=O)[O-])C(=O)[O-])C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000028869583	561973820	/nfs/dbraw/zinc/97/38/20/561973820.db2.gz	JBDGQWLVCASPKI-VXKWHMMOSA-N	-1	0	520.586	3.132	1	0		KGAFRM
NS(=O)(=O)N(c1cccc(-c2scc(N3CC(=O)[N-]S3(=O)=O)c2Cl)c1)C1CCCCC1	ZINC000028886848	561977740	/nfs/dbraw/zinc/97/77/40/561977740.db2.gz	NUNDUSGYTPGMAN-UHFFFAOYSA-N	-1	0	505.043	3.432	1	0		KGAFRM
Cc1cc(COc2ccc(C(=O)NC[C@]3(NC(=O)OC(C)(C)C)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1	ZINC000028892577	561978463	/nfs/dbraw/zinc/97/84/63/561978463.db2.gz	CLZKGFRECSRANT-UHFFFAOYSA-N	-1	0	547.568	3.322	1	0		KGAFRM
Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)C(C)(C)C)C[C@]34C(=O)[N-]C(=O)NC4=O)cc2)c2ccccc2n1	ZINC000028892724	561978442	/nfs/dbraw/zinc/97/84/42/561978442.db2.gz	AJLMUTLJMXTHCS-HSZRJFAPSA-N	-1	0	557.607	3.302	1	0		KGAFRM
Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)C(C)(C)C)C[C@@]34C(=O)[N-]C(=O)NC4=O)cc2)c2ccccc2n1	ZINC000028892730	561978483	/nfs/dbraw/zinc/97/84/83/561978483.db2.gz	AJLMUTLJMXTHCS-QHCPKHFHSA-N	-1	0	557.607	3.302	1	0		KGAFRM
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCC(CCCC(=O)[O-])CC3)ccc1OCC)[nH]c2=O	ZINC000028895602	561978985	/nfs/dbraw/zinc/97/89/85/561978985.db2.gz	NGOQJWHOACWDGX-UHFFFAOYSA-N	-1	0	545.662	3.330	1	0		KGAFRM
CCCOc1ccc(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1	ZINC000028895654	561978951	/nfs/dbraw/zinc/97/89/51/561978951.db2.gz	STUDHVAXYJWYLU-UHFFFAOYSA-N	-1	0	545.662	3.330	1	0		KGAFRM
C[C@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ncccn2)cc1	ZINC000028898715	561979503	/nfs/dbraw/zinc/97/95/03/561979503.db2.gz	FCJZUIIFVFEMRW-LBPRGKRZSA-N	-1	0	569.992	3.296	1	0		KGAFRM
COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)CC(=O)c2ccc([O-])c([N-]S(C)(=O)=O)c2)cc1OC	ZINC000028958005	561983430	/nfs/dbraw/zinc/98/34/30/561983430.db2.gz	AFMJYZZCXPWXQR-FGZHOGPDSA-N	-1	0	528.627	3.288	1	0		KGAFRM
CCOc1ccc(CC(=O)OC[C@@H]2[C@H](CC)C(=O)N2Cc2ccc(S(=O)(=O)[O-])cc2)cc1OCC	ZINC000028968347	561985527	/nfs/dbraw/zinc/98/55/27/561985527.db2.gz	ICLJUSVHPNOYNV-LEWJYISDSA-N	-1	0	505.589	3.254	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000028977351	561986992	/nfs/dbraw/zinc/98/69/92/561986992.db2.gz	WHKVCJHBYDWODM-ROUUACIJSA-N	-1	0	528.534	3.422	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000028977357	561986999	/nfs/dbraw/zinc/98/69/99/561986999.db2.gz	WHKVCJHBYDWODM-MSOLQXFVSA-N	-1	0	528.534	3.422	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000028977363	561987021	/nfs/dbraw/zinc/98/70/21/561987021.db2.gz	WHKVCJHBYDWODM-ZWKOTPCHSA-N	-1	0	528.534	3.422	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000028977371	561987009	/nfs/dbraw/zinc/98/70/09/561987009.db2.gz	WHKVCJHBYDWODM-QZTJIDSGSA-N	-1	0	528.534	3.422	1	0		KGAFRM
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(N3CCN(c4ccccc4)CC3)cc2)C(=O)[O-])cc1	ZINC000028978609	561987791	/nfs/dbraw/zinc/98/77/91/561987791.db2.gz	GAMPPXBDIFOQMZ-VMPREFPWSA-N	-1	0	576.719	3.287	1	0		KGAFRM
COc1ccccc1N1CCN(c2ccc(C[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)C(=O)[O-])cc2)CC1	ZINC000028978614	561987803	/nfs/dbraw/zinc/98/78/03/561987803.db2.gz	CFXNSLXHWYNOJM-YTMVLYRLSA-N	-1	0	606.745	3.295	1	0		KGAFRM
COc1cccc(N2CCN(c3ccc(C[C@H](NC(=O)[C@@H]4CCCN4S(=O)(=O)c4ccc(C)cc4)C(=O)[O-])cc3)CC2)c1	ZINC000028978618	561987985	/nfs/dbraw/zinc/98/79/85/561987985.db2.gz	FPQBJCFWZGCTHD-KYJUHHDHSA-N	-1	0	606.745	3.295	1	0		KGAFRM
CC(=O)c1ccc(N2CCN(c3ccc(C[C@H](NC(=O)[C@@H]4CCCN4S(=O)(=O)c4ccccc4)C(=O)[O-])cc3)CC2)s1	ZINC000028978703	561987975	/nfs/dbraw/zinc/98/79/75/561987975.db2.gz	FIDSZJIEJDCVCK-UIOOFZCWSA-N	-1	0	610.758	3.243	1	0		KGAFRM
Cc1ccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N[C@@H](Cc2ccc(N3CCN(c4ccccc4)CC3)cc2)C(=O)[O-])cc1	ZINC000028978740	561987961	/nfs/dbraw/zinc/98/79/61/561987961.db2.gz	SFDMPCQUNHHBRT-WUFINQPMSA-N	-1	0	594.759	3.197	1	0		KGAFRM
CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2cccc(C(=O)[O-])c2)n1	ZINC000029039559	561989952	/nfs/dbraw/zinc/98/99/52/561989952.db2.gz	ALJMBXYHUCBFDM-IZZNHLLZSA-N	-1	0	546.624	3.383	1	0		KGAFRM
Cc1cc(-c2ccc(S(=O)(=O)[N-]n3ccc(C)c(CC(=O)NCc4ccc(N)nc4)c3=O)cc2)c(C)s1	ZINC000029040410	561990539	/nfs/dbraw/zinc/99/05/39/561990539.db2.gz	IMIMONQBQNRUDE-UHFFFAOYSA-N	-1	0	537.667	3.271	1	0		KGAFRM
CN(c1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)(C)C)nc(-c3cccs3)c1=O)N2)S(C)(=O)=O	ZINC000029043129	561991924	/nfs/dbraw/zinc/99/19/24/561991924.db2.gz	XISZSFJEMVMFNT-UHFFFAOYSA-N	-1	0	565.699	3.070	1	0		KGAFRM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(Cc3ccc(F)c(Cl)c3)nc(-c3cccs3)c1=O)N2	ZINC000029046449	561992866	/nfs/dbraw/zinc/99/28/66/561992866.db2.gz	PTNQQJNGMZZCLE-UHFFFAOYSA-N	-1	0	610.070	3.451	1	0		KGAFRM
CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(N(C(C)C)S(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029046458	561992832	/nfs/dbraw/zinc/99/28/32/561992832.db2.gz	ICEDODFRTRRTIQ-UHFFFAOYSA-N	-1	0	579.726	3.459	1	0		KGAFRM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC3CCCC3)nc(-c3cccs3)c1=O)N2	ZINC000029046579	561993051	/nfs/dbraw/zinc/99/30/51/561993051.db2.gz	SKNCMHOHHWQNIP-UHFFFAOYSA-N	-1	0	563.683	3.190	1	0		KGAFRM
CCN(CC)CCS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)C)nc(-c3cccs3)c1=O)N2	ZINC000029046585	561993056	/nfs/dbraw/zinc/99/30/56/561993056.db2.gz	XUYNPGDPUWXDRI-UHFFFAOYSA-N	-1	0	622.795	3.368	1	0		KGAFRM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CC3(C(F)(F)F)CCC3)nc(-c3cccs3)c1=O)N2	ZINC000029046706	561992992	/nfs/dbraw/zinc/99/29/92/561992992.db2.gz	GCQQWRLERCSKEX-UHFFFAOYSA-N	-1	0	603.626	3.343	1	0		KGAFRM
CCCS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)C)nc(-c3cccs3)c1=O)N2	ZINC000029046712	561992959	/nfs/dbraw/zinc/99/29/59/561992959.db2.gz	YJZAJYLGGZDXRY-UHFFFAOYSA-N	-1	0	565.699	3.436	1	0		KGAFRM
CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C(C)C)ccc3N2)c1[O-]	ZINC000029046840	561992969	/nfs/dbraw/zinc/99/29/69/561992969.db2.gz	MVJQXDVPLRIIRC-UHFFFAOYSA-N	-1	0	565.699	3.435	1	0		KGAFRM
CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C4CC4)ccc3N2)c1[O-]	ZINC000029046845	561993140	/nfs/dbraw/zinc/99/31/40/561993140.db2.gz	CBEWRSHSZDEJDP-UHFFFAOYSA-N	-1	0	563.683	3.189	1	0		KGAFRM
CCS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)C)nc(-c3cccs3)c1=O)N2	ZINC000029046857	561993183	/nfs/dbraw/zinc/99/31/83/561993183.db2.gz	MGLOOGSYTUSBBB-UHFFFAOYSA-N	-1	0	551.672	3.046	1	0		KGAFRM
CC(C)C[C@@H](C)n1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047000	561993096	/nfs/dbraw/zinc/99/30/96/561993096.db2.gz	BOQPAOMLJGMGLC-CYBMUJFWSA-N	-1	0	551.672	3.217	1	0		KGAFRM
CC(C)C[C@H](C)n1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047001	561993172	/nfs/dbraw/zinc/99/31/72/561993172.db2.gz	BOQPAOMLJGMGLC-ZDUSSCGKSA-N	-1	0	551.672	3.217	1	0		KGAFRM
CC[C@@H](C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047292	561993321	/nfs/dbraw/zinc/99/33/21/561993321.db2.gz	BSBHCJLHJHKTAI-CYBMUJFWSA-N	-1	0	551.672	3.046	1	0		KGAFRM
CC[C@H](C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047295	561993295	/nfs/dbraw/zinc/99/32/95/561993295.db2.gz	BSBHCJLHJHKTAI-ZDUSSCGKSA-N	-1	0	551.672	3.046	1	0		KGAFRM
CCC(C)(C)Cn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047414	561993315	/nfs/dbraw/zinc/99/33/15/561993315.db2.gz	YBXHIJLCHNVGMW-UHFFFAOYSA-N	-1	0	551.672	3.046	1	0		KGAFRM
CCC(C)(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047417	561993310	/nfs/dbraw/zinc/99/33/10/561993310.db2.gz	BJJRKIKPFDBGGQ-UHFFFAOYSA-N	-1	0	565.699	3.436	1	0		KGAFRM
CC(C)(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1[O-]	ZINC000029047423	561993330	/nfs/dbraw/zinc/99/33/30/561993330.db2.gz	BNKHUPLFRJHZRH-UHFFFAOYSA-N	-1	0	551.672	3.046	1	0		KGAFRM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC3CC3)nc(-c3ccc(Cl)s3)c1=O)N2	ZINC000029048053	561993496	/nfs/dbraw/zinc/99/34/96/561993496.db2.gz	CSXGTRVZHQOZAS-UHFFFAOYSA-N	-1	0	570.074	3.063	1	0		KGAFRM
O=C([O-])CS(=O)(=O)c1ccc(CN(Cc2ccc(-c3csnn3)cc2)S(=O)(=O)c2ccccc2)cc1	ZINC000029050932	561994343	/nfs/dbraw/zinc/99/43/43/561994343.db2.gz	HCQLHTIVDVYMGH-UHFFFAOYSA-N	-1	0	543.648	3.455	1	0		KGAFRM
O=C([O-])CN([C@@H]1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1	ZINC000029125503	561997669	/nfs/dbraw/zinc/99/76/69/561997669.db2.gz	BLGDIJZWXSNIRG-LJQANCHMSA-N	-1	0	573.052	3.372	1	0		KGAFRM
O=C([O-])CN([C@H]1CCCN(c2ccc(-n3ccccc3=O)cc2)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1	ZINC000029125504	561997667	/nfs/dbraw/zinc/99/76/67/561997667.db2.gz	BLGDIJZWXSNIRG-IBGZPJMESA-N	-1	0	573.052	3.372	1	0		KGAFRM
CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)NCCC(=O)[O-])C(C)C)C(=O)N[C@@H]1c1ccc(Br)cc1	ZINC000029127630	562000084	/nfs/dbraw/zinc/00/00/84/562000084.db2.gz	JNQIJZJQILODPW-CJFMBICVSA-N	-1	0	609.518	3.255	1	0		KGAFRM
CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)NCCC(=O)[O-])C(C)C)C(=O)N[C@H]1c1ccc(Br)cc1	ZINC000029127631	562000103	/nfs/dbraw/zinc/00/01/03/562000103.db2.gz	JNQIJZJQILODPW-NLFFAJNJSA-N	-1	0	609.518	3.255	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(COCn3c(=O)[nH]c(=O)c(C(C)C)c3Cc3ccccc3)ccc21	ZINC000029127687	562000188	/nfs/dbraw/zinc/00/01/88/562000188.db2.gz	GBBDSZZVRIWIMW-UHFFFAOYSA-N	-1	0	503.555	3.458	1	0		KGAFRM
CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(-c4cn[nH]n4)ccc3N2)c1[O-]	ZINC000029128678	562001166	/nfs/dbraw/zinc/00/11/66/562001166.db2.gz	NVVHNIMIPPONSW-UHFFFAOYSA-N	-1	0	511.589	3.070	1	0		KGAFRM
O=c1c(N(CCN2CCOCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)cccn1[O-]	ZINC000029128770	562001169	/nfs/dbraw/zinc/00/11/69/562001169.db2.gz	LNJYGNLGJFKFCM-UHFFFAOYSA-N	-1	0	505.980	3.059	1	0		KGAFRM
CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3cc(N4CCCC4=O)ccc3N2)c1[O-]	ZINC000029128884	562001326	/nfs/dbraw/zinc/00/13/26/562001326.db2.gz	CYMNTYAOQAKOCP-UHFFFAOYSA-N	-1	0	527.628	3.411	1	0		KGAFRM
CC(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])n(CCC(C)C)nc(-c3cccs3)c1=O)N2	ZINC000029128930	562001453	/nfs/dbraw/zinc/00/14/53/562001453.db2.gz	VEKCNOHKVUYBCZ-UHFFFAOYSA-N	-1	0	501.590	3.243	1	0		KGAFRM
Cc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCCC(=O)[O-])c1	ZINC000029206245	562005224	/nfs/dbraw/zinc/00/52/24/562005224.db2.gz	DTSNLCNXOUHPFT-BJKOFHAPSA-N	-1	0	521.618	3.331	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N(C(C)C)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-]	ZINC000029207365	562005339	/nfs/dbraw/zinc/00/53/39/562005339.db2.gz	VHLPCXDLHMTBIK-XZOQPEGZSA-N	-1	0	515.655	3.029	1	0		KGAFRM
CC(C)C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)[O-]	ZINC000029209370	562005540	/nfs/dbraw/zinc/00/55/40/562005540.db2.gz	ZLWNKQVWHKWFSP-LHEMBZLFSA-N	-1	0	565.715	3.469	1	0		KGAFRM
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)C[P@](=O)([O-])[C@H]([NH3+])c1ccccc1)C(=O)[O-]	ZINC000029210443	562005689	/nfs/dbraw/zinc/00/56/89/562005689.db2.gz	YMIFJBDRVZYAMT-UWCPCEDSSA-N	-1	0	510.527	3.390	1	0		KGAFRM
C[C@H](O)[C@H](NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)C[P@](=O)([O-])[C@H]([NH3+])c1ccccc1)C(=O)[O-]	ZINC000029210448	562005637	/nfs/dbraw/zinc/00/56/37/562005637.db2.gz	YMIFJBDRVZYAMT-PVUOONDNSA-N	-1	0	510.527	3.390	1	0		KGAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(N4C[C@@H]4c4cccc(C(F)(F)F)c4)c3c2F)CC1	ZINC000029313567	562012158	/nfs/dbraw/zinc/01/21/58/562012158.db2.gz	YCVWRCYZBNMELG-DTWMZXIHSA-N	-1	0	508.447	3.441	1	0		KGAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(N4C[C@H]4c4cccc(C(F)(F)F)c4)c3c2F)CC1	ZINC000029313570	562012163	/nfs/dbraw/zinc/01/21/63/562012163.db2.gz	YCVWRCYZBNMELG-DVYMHAMMSA-N	-1	0	508.447	3.441	1	0		KGAFRM
CC(C)C[C@@H](NC(=O)N1CCCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)N(C)CC(=O)[O-]	ZINC000029316565	562012504	/nfs/dbraw/zinc/01/25/04/562012504.db2.gz	CECBPUNEWWTHGI-OLUZHXLYSA-N	-1	0	675.831	3.203	1	0		KGAFRM
CCOC(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1)OCC(=O)OCC	ZINC000029334617	562014206	/nfs/dbraw/zinc/01/42/06/562014206.db2.gz	DMXGUMUHUJRSBP-NRFANRHFSA-N	-1	0	531.506	3.050	1	0		KGAFRM
CCOC(=O)COP(=O)(CN[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-])OCC(=O)OCC	ZINC000029335534	562014184	/nfs/dbraw/zinc/01/41/84/562014184.db2.gz	CGOMRYMVJFLWGG-NRFANRHFSA-N	-1	0	507.476	3.249	1	0		KGAFRM
CC(C)C[C@H]([NH2+][C@H](CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000029339102	562014818	/nfs/dbraw/zinc/01/48/18/562014818.db2.gz	FYUUFFFGPVCJOK-ITGKQZKFSA-N	-1	0	660.768	3.300	1	0		KGAFRM
NS(=O)(=O)c1cc(C(=O)NCCCC[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C(=O)N(CC(=O)[O-])C2Cc3ccccc3C2)ccc1Cl	ZINC000029342280	562015474	/nfs/dbraw/zinc/01/54/74/562015474.db2.gz	JRUWTHBARSJRCP-VMPREFPWSA-N	-1	0	699.226	3.012	1	0		KGAFRM
CCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)[O-])C1=O	ZINC000029342869	562015590	/nfs/dbraw/zinc/01/55/90/562015590.db2.gz	SGWDRFQPAPSOTL-GOTSBHOMSA-N	-1	0	525.602	3.037	1	0		KGAFRM
O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)OCc1cccnc1)NC(=O)OCc1ccccc1	ZINC000029344005	562015823	/nfs/dbraw/zinc/01/58/23/562015823.db2.gz	JXTHEDOCVZQXKB-VWNXMTODSA-N	-1	0	517.538	3.243	1	0		KGAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N(CC(=O)[O-])C1Cc2ccccc2C1	ZINC000029345512	562016086	/nfs/dbraw/zinc/01/60/86/562016086.db2.gz	WNXRBCWDGWSLKY-CONSDPRKSA-N	-1	0	727.280	3.491	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CN1CCC=C(C(=O)[O-])C1	ZINC000029348128	562016576	/nfs/dbraw/zinc/01/65/76/562016576.db2.gz	WXYVXGHRVDKEIK-IMKBVMFZSA-N	-1	0	710.828	3.430	1	0		KGAFRM
CC(C)[C@@H]1NC(=O)CCCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN(CCCCCC(=O)[O-])S(=O)(=O)c2ccc(N)cc2)NC1=O	ZINC000029394009	562018170	/nfs/dbraw/zinc/01/81/70/562018170.db2.gz	LHMLSOKQSGLNCV-LBRLCBGXSA-N	-1	0	660.834	3.087	1	0		KGAFRM
CO[C@@H]1[C@H](OC(=O)c2nc[nH]c2C)[C@@H](O)[C@@H](Oc2ccc3c([O-])c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C	ZINC000029396471	562018610	/nfs/dbraw/zinc/01/86/10/562018610.db2.gz	DEYGWLUFPIVBEH-UUUUBVMTSA-N	-1	0	593.589	3.206	1	0		KGAFRM
C[C@@]1(C(=O)N[C@@H](Cc2ccc(OC(=O)N3CCOCC3)cc2)C(=O)[O-])CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000029397018	562018863	/nfs/dbraw/zinc/01/88/63/562018863.db2.gz	LDWAIULYHJTVQT-NVQXNPDNSA-N	-1	0	614.504	3.180	1	0		KGAFRM
Cc1cn(C[C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c(=O)nc1N1CCC(CNc2ccccn2)CC1	ZINC000029406300	562020684	/nfs/dbraw/zinc/02/06/84/562020684.db2.gz	ANFQBFTWTAOHQK-HSZRJFAPSA-N	-1	0	534.617	3.045	1	0		KGAFRM
Cc1cn(C[C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c(=O)nc1NCCCNc1nc2ccccc2[nH]1	ZINC000029407220	562020913	/nfs/dbraw/zinc/02/09/13/562020913.db2.gz	WBNIBVOJNZUYKZ-HXUWFJFHSA-N	-1	0	533.589	3.112	1	0		KGAFRM
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000029409911	562021478	/nfs/dbraw/zinc/02/14/78/562021478.db2.gz	ILMSXKOAPDHCJD-QHCPKHFHSA-N	-1	0	530.585	3.192	1	0		KGAFRM
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1NCC1CCC(NC(=O)NCc2ccccc2)CC1	ZINC000029410116	562021448	/nfs/dbraw/zinc/02/14/48/562021448.db2.gz	LIINOWDRLGRVQV-HEIUKZKOSA-N	-1	0	590.681	3.401	1	0		KGAFRM
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(CNc2nc3ccccc3o2)CC1	ZINC000029410157	562021490	/nfs/dbraw/zinc/02/14/90/562021490.db2.gz	CLGGMYCXVMCXSG-QHCPKHFHSA-N	-1	0	560.611	3.401	1	0		KGAFRM
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(Cc2nc3ccccc3[nH]2)CC1	ZINC000029411061	562021700	/nfs/dbraw/zinc/02/17/00/562021700.db2.gz	SLJJPVPHANINPC-DEOSSOPVSA-N	-1	0	544.612	3.267	1	0		KGAFRM
CC(=O)OCCOc1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2	ZINC000029412298	562022079	/nfs/dbraw/zinc/02/20/79/562022079.db2.gz	YMQODRGSNYOWMG-UHFFFAOYSA-N	-1	0	543.963	3.422	1	0		KGAFRM
Cc1cn(C[C@@H](CC(=O)[O-])NC(=O)OCc2ccccc2)c(=O)nc1N1CCC(Nc2nc3ccccc3[nH]2)CC1	ZINC000029413476	562022291	/nfs/dbraw/zinc/02/22/91/562022291.db2.gz	YTROSQIPEKDADK-JOCHJYFZSA-N	-1	0	559.627	3.279	1	0		KGAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1Cl	ZINC000029413682	562022396	/nfs/dbraw/zinc/02/23/96/562022396.db2.gz	NVIPEHOVDZROBC-UHFFFAOYSA-N	-1	0	525.008	3.185	1	0		KGAFRM
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1NCCCCNc1nc2ccccc2[nH]1	ZINC000029413789	562022374	/nfs/dbraw/zinc/02/23/74/562022374.db2.gz	HGTIVCYHTMGBBH-QFIPXVFZSA-N	-1	0	533.589	3.112	1	0		KGAFRM
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1NCc1csc(NC(=O)NCc2ccccc2)n1	ZINC000029414131	562022566	/nfs/dbraw/zinc/02/25/66/562022566.db2.gz	QPBKEMRNMDTBPC-QFIPXVFZSA-N	-1	0	591.650	3.322	1	0		KGAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2cc3c(cc2CC(=O)N(C)C)OCO3)c1Cl	ZINC000029414216	562022525	/nfs/dbraw/zinc/02/25/25/562022525.db2.gz	NFZNRQSKVNGHOU-UHFFFAOYSA-N	-1	0	526.980	3.110	1	0		KGAFRM
Cc1cc(O)cc(C)c1C[C@@H]([NH3+])C(=O)N1Cc2c(cc(Br)c([O-])c2Br)C[C@H]1C(=O)[O-]	ZINC000029416725	562022988	/nfs/dbraw/zinc/02/29/88/562022988.db2.gz	PGRCDRUJAVJRKB-SJORKVTESA-N	-1	0	542.224	3.148	1	0		KGAFRM
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2c(cc(Br)c([O-])c2Br)C[C@H]1C(=O)[O-]	ZINC000029416728	562022995	/nfs/dbraw/zinc/02/29/95/562022995.db2.gz	PGRCDRUJAVJRKB-IRXDYDNUSA-N	-1	0	542.224	3.148	1	0		KGAFRM
CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)[O-])N(c1nn[nH]n1)[C@@H]2c1ccc2c(c1)OCO2	ZINC000029463076	562023392	/nfs/dbraw/zinc/02/33/92/562023392.db2.gz	XSIBVUPCSKPMMH-CLJLJLNGSA-N	-1	0	531.525	3.498	1	0		KGAFRM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(C[C@@H](CCN2C(=O)c3ccc(OC)cc3C2=O)C(=O)[O-])CCCCC1	ZINC000029464063	562023708	/nfs/dbraw/zinc/02/37/08/562023708.db2.gz	YZEPUSAWUGGWQU-RLWLMLJZSA-N	-1	0	593.677	3.205	1	0		KGAFRM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(C[C@H](CCN2C(=O)c3ccc(OC)cc3C2=O)C(=O)[O-])CCCCC1	ZINC000029464067	562023733	/nfs/dbraw/zinc/02/37/33/562023733.db2.gz	YZEPUSAWUGGWQU-LVXARBLLSA-N	-1	0	593.677	3.205	1	0		KGAFRM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(C[C@@H](CCN2C(=O)c3ccccc3C2=O)C(=O)[O-])CCCCC1	ZINC000029465982	562024376	/nfs/dbraw/zinc/02/43/76/562024376.db2.gz	FQVQDEYRKOZWHR-BWKNWUBXSA-N	-1	0	563.651	3.196	1	0		KGAFRM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(C[C@H](CCN2C(=O)c3ccccc3C2=O)C(=O)[O-])CCCCC1	ZINC000029465985	562024367	/nfs/dbraw/zinc/02/43/67/562024367.db2.gz	FQVQDEYRKOZWHR-OFVILXPXSA-N	-1	0	563.651	3.196	1	0		KGAFRM
O=C([O-])[C@@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)CC1(C(=O)NCCN2CCOCC2)CCCCC1	ZINC000029474012	562026068	/nfs/dbraw/zinc/02/60/68/562026068.db2.gz	CQVBBFZRWCKZHN-QHCPKHFHSA-N	-1	0	535.641	3.316	1	0		KGAFRM
O=C([O-])[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)CC1(C(=O)NCCN2CCOCC2)CCCCC1	ZINC000029474017	562026103	/nfs/dbraw/zinc/02/61/03/562026103.db2.gz	CQVBBFZRWCKZHN-HSZRJFAPSA-N	-1	0	535.641	3.316	1	0		KGAFRM
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)OC)c(C(=O)[O-])c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000029479067	562026856	/nfs/dbraw/zinc/02/68/56/562026856.db2.gz	IOIADNFEGFFUIE-DQEYMECFSA-N	-1	0	613.708	3.406	1	0		KGAFRM
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000029480535	562027260	/nfs/dbraw/zinc/02/72/60/562027260.db2.gz	LARLJDMEHWHSJU-ULWBFFEXSA-N	-1	0	737.961	3.211	1	0		KGAFRM
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000029480538	562027243	/nfs/dbraw/zinc/02/72/43/562027243.db2.gz	LARLJDMEHWHSJU-RPZAWWRESA-N	-1	0	737.961	3.211	1	0		KGAFRM
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C	ZINC000029482608	562027665	/nfs/dbraw/zinc/02/76/65/562027665.db2.gz	HWDFFNKCDNDMRY-ULWBFFEXSA-N	-1	0	737.961	3.211	1	0		KGAFRM
CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)C(C)C	ZINC000029482611	562027609	/nfs/dbraw/zinc/02/76/09/562027609.db2.gz	HWDFFNKCDNDMRY-RPZAWWRESA-N	-1	0	737.961	3.211	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@@H](O)c1cccc2ccccc21)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000029482746	562027687	/nfs/dbraw/zinc/02/76/87/562027687.db2.gz	SQMFTZTZAKREKJ-ZHTHUIBPSA-N	-1	0	591.705	3.311	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](O)c1cccc2ccccc21)[C@@H](O)CC(=O)N[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)C(C)C	ZINC000029482749	562027657	/nfs/dbraw/zinc/02/76/57/562027657.db2.gz	SQMFTZTZAKREKJ-ZSEJKAPFSA-N	-1	0	591.705	3.311	1	0		KGAFRM
CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)[O-])c(C(=O)OC)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000029482774	562027667	/nfs/dbraw/zinc/02/76/67/562027667.db2.gz	XPMUSERRTLKCQV-DQEYMECFSA-N	-1	0	613.708	3.406	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)ccc1C1CC1)c1ccc2c(c1)OCC2	ZINC000029483962	562027875	/nfs/dbraw/zinc/02/78/75/562027875.db2.gz	AXZHUMWCDZWWOZ-DEOSSOPVSA-N	-1	0	543.624	3.358	1	0		KGAFRM
CCc1c(Cl)nc(NCc2ccc3c(n2)NCCC3)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])c1cccc(F)c1	ZINC000029487412	562028549	/nfs/dbraw/zinc/02/85/49/562028549.db2.gz	SBCGXWVXJMEADV-IBGZPJMESA-N	-1	0	542.999	3.296	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)Cn1c(=O)c(NCc2ccc3c(n2)NCCC3)nc(Cl)c1C1CC1)c1ccc2c(c1)OCC2	ZINC000029488229	562028793	/nfs/dbraw/zinc/02/87/93/562028793.db2.gz	URFXLBUFCLGJGX-NRFANRHFSA-N	-1	0	579.057	3.406	1	0		KGAFRM
Cc1c(Cl)nc(NCc2ccc3c(n2)NCCC3)c(=O)n1CC(=O)N[C@@H](CC(=O)[O-])c1cccc(F)c1	ZINC000029489178	562029081	/nfs/dbraw/zinc/02/90/81/562029081.db2.gz	ASSOJPJBNSNTEH-IBGZPJMESA-N	-1	0	528.972	3.042	1	0		KGAFRM
NC(=O)C[C@H](NC(=O)C1(NC(=O)CCc2ccc(C[P@@](=O)([O-])O)cc2)CCCCC1)C(=O)NCCCc1cccc2ccccc21	ZINC000029552798	562031473	/nfs/dbraw/zinc/03/14/73/562031473.db2.gz	RSAQUCMMMUZTEG-LJAQVGFWSA-N	-1	0	650.713	3.378	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)CN1c2ccccc2OC[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl	ZINC000029563516	562033831	/nfs/dbraw/zinc/03/38/31/562033831.db2.gz	PMFJTHXWAQJWFW-VXKWHMMOSA-N	-1	0	672.474	3.399	1	0		KGAFRM
CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@H]34)[C@H]2N1C(=O)CCC(=O)[O-]	ZINC000029564449	562034057	/nfs/dbraw/zinc/03/40/57/562034057.db2.gz	ZLIUYZURIDWFSI-WNTJORBDSA-N	-1	0	637.693	3.269	1	0		KGAFRM
CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@@H]34)[C@H]2N1C(=O)CCC(=O)[O-]	ZINC000029564453	562034040	/nfs/dbraw/zinc/03/40/40/562034040.db2.gz	ZLIUYZURIDWFSI-BGPLROQISA-N	-1	0	637.693	3.269	1	0		KGAFRM
CSc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2)C(C)C)cc1	ZINC000029565477	562034327	/nfs/dbraw/zinc/03/43/27/562034327.db2.gz	IKKRRLWYKMQCOX-PUIUQNQWSA-N	-1	0	677.702	3.480	1	0		KGAFRM
O=C([O-])C1=C(COC(=O)c2cccnc2)CS[C@@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000029565765	562034297	/nfs/dbraw/zinc/03/42/97/562034297.db2.gz	SILZYEKEEWLBCO-YLJYHZDGSA-N	-1	0	554.433	3.076	1	0		KGAFRM
O=C([O-])C1=C(COC(=O)c2cccnc2)CS[C@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000029565768	562034316	/nfs/dbraw/zinc/03/43/16/562034316.db2.gz	SILZYEKEEWLBCO-XLIONFOSSA-N	-1	0	554.433	3.076	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)[C@@H]1CS[C@H]2CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12)C(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1	ZINC000029567175	562034680	/nfs/dbraw/zinc/03/46/80/562034680.db2.gz	WVGOKIDYVXHUGM-YGWSKSRPSA-N	-1	0	689.669	3.157	1	0		KGAFRM
O=C([O-])C1=C(COC(=O)c2ccc(O)cc2)CS[C@@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000029567188	562034695	/nfs/dbraw/zinc/03/46/95/562034695.db2.gz	MVNMBYZPWPTLRM-WIYYLYMNSA-N	-1	0	569.444	3.387	1	0		KGAFRM
O=C([O-])C1=C(COC(=O)c2ccc(O)cc2)CS[C@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000029567192	562034697	/nfs/dbraw/zinc/03/46/97/562034697.db2.gz	MVNMBYZPWPTLRM-NQIIRXRSSA-N	-1	0	569.444	3.387	1	0		KGAFRM
COCCOC(=O)N(C)[C@@H]1CCC[C@@H]([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000029567483	562034671	/nfs/dbraw/zinc/03/46/71/562034671.db2.gz	RMIHUCKIXBQQLS-PQNGQFLHSA-N	-1	0	534.631	3.367	1	0		KGAFRM
COCCOC(=O)N(C)[C@H]1CCC[C@@H]([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000029567486	581097681	/nfs/dbraw/zinc/09/76/81/581097681.db2.gz	RMIHUCKIXBQQLS-ZFGGDYGUSA-N	-1	0	534.631	3.367	1	0		KGAFRM
COCCOC(=O)N(C)[C@@H]1CCC[C@H]([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000029567490	562034682	/nfs/dbraw/zinc/03/46/82/562034682.db2.gz	RMIHUCKIXBQQLS-YZUZCNPQSA-N	-1	0	534.631	3.367	1	0		KGAFRM
COCCOC(=O)N(C)[C@H]1CCC[C@H]([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000029567494	581097622	/nfs/dbraw/zinc/09/76/22/581097622.db2.gz	RMIHUCKIXBQQLS-AWRGLXIESA-N	-1	0	534.631	3.367	1	0		KGAFRM
O=C([O-])C1=C(COC(=O)c2ccncc2)CS[C@@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000029568133	562034802	/nfs/dbraw/zinc/03/48/02/562034802.db2.gz	NMLRIZGQOPAKBL-YLJYHZDGSA-N	-1	0	554.433	3.076	1	0		KGAFRM
O=C([O-])C1=C(COC(=O)c2ccncc2)CS[C@H]2[C@H](NC(=O)CSc3cc(Cl)ccc3Cl)C(=O)N12	ZINC000029568136	562034753	/nfs/dbraw/zinc/03/47/53/562034753.db2.gz	NMLRIZGQOPAKBL-XLIONFOSSA-N	-1	0	554.433	3.076	1	0		KGAFRM
CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c(=O)c5ccccc5nc43)[C@H]2N1C(=O)CCC(=O)[O-]	ZINC000029568345	562034914	/nfs/dbraw/zinc/03/49/14/562034914.db2.gz	DNHAFPPLTSDAJQ-MCLZHFEDSA-N	-1	0	635.677	3.243	1	0		KGAFRM
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CCCCc1ccccc1	ZINC000029568658	562035101	/nfs/dbraw/zinc/03/51/01/562035101.db2.gz	WBUCKVCCEFZDIU-HTLVZCCDSA-N	-1	0	551.684	3.206	1	0		KGAFRM
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)CCCCc1ccccc1	ZINC000029568661	562035095	/nfs/dbraw/zinc/03/50/95/562035095.db2.gz	WBUCKVCCEFZDIU-HQQGYVGFSA-N	-1	0	551.684	3.206	1	0		KGAFRM
COCCOC(=O)NC1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])CC1	ZINC000029568758	562035093	/nfs/dbraw/zinc/03/50/93/562035093.db2.gz	HZWSSUJZEMEIID-YABDQXBESA-N	-1	0	520.604	3.025	1	0		KGAFRM
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCCCc1ccccc1	ZINC000029570536	562035628	/nfs/dbraw/zinc/03/56/28/562035628.db2.gz	YILOECGGEHYBNX-HTLVZCCDSA-N	-1	0	583.751	3.159	1	0		KGAFRM
CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)CSCCCc1ccccc1	ZINC000029570538	562035566	/nfs/dbraw/zinc/03/55/66/562035566.db2.gz	YILOECGGEHYBNX-HQQGYVGFSA-N	-1	0	583.751	3.159	1	0		KGAFRM
CC[C@H](C)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)[C@@H](C)CC	ZINC000029571748	562035876	/nfs/dbraw/zinc/03/58/76/562035876.db2.gz	USKHZVUKGMGKMN-IPLXQDJTSA-N	-1	0	744.890	3.297	1	0		KGAFRM
CCCCn1c2nc3n(c2c(=O)n(CCCC)c1=O)c(=O)c(CCC)c([O-])n3Cc1ccc(OC)cc1	ZINC000034090863	562038253	/nfs/dbraw/zinc/03/82/53/562038253.db2.gz	JJRYDCLFYQMCKC-UHFFFAOYSA-N	-1	0	509.607	3.288	1	0		KGAFRM
Cc1cc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)[O-])ccc1-c1c(C)n(C)c(=O)n(C)c1=O	ZINC000034251583	562038534	/nfs/dbraw/zinc/03/85/34/562038534.db2.gz	NTFHSUUFBUDKFC-SFHVURJKSA-N	-1	0	504.370	3.100	1	0		KGAFRM
COCCOC(=O)N(C)[C@@H]1CCC[C@H]([C@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000034801720	562041509	/nfs/dbraw/zinc/04/15/09/562041509.db2.gz	RMIHUCKIXBQQLS-IMSXRSKXSA-N	-1	0	534.631	3.367	1	0		KGAFRM
COCCOC(=O)N(C)[C@H]1CCC[C@H]([C@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000034801721	581097717	/nfs/dbraw/zinc/09/77/17/581097717.db2.gz	RMIHUCKIXBQQLS-HFMPRLQTSA-N	-1	0	534.631	3.367	1	0		KGAFRM
COCCOC(=O)N(C)[C@@H]1CCC[C@@H]([C@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000034801722	562041463	/nfs/dbraw/zinc/04/14/63/562041463.db2.gz	RMIHUCKIXBQQLS-LGVFNWMJSA-N	-1	0	534.631	3.367	1	0		KGAFRM
COCCOC(=O)N(C)[C@H]1CCC[C@@H]([C@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)C(=O)[O-])C1	ZINC000034801723	581097646	/nfs/dbraw/zinc/09/76/46/581097646.db2.gz	RMIHUCKIXBQQLS-DPLHUUCSSA-N	-1	0	534.631	3.367	1	0		KGAFRM
O=C([O-])[C@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1	ZINC000034801779	562041514	/nfs/dbraw/zinc/04/15/14/562041514.db2.gz	LOZYBBRAEOAORI-NRFANRHFSA-N	-1	0	507.499	3.282	1	0		KGAFRM
O=C([O-])[C@@H](CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1	ZINC000034801780	562041503	/nfs/dbraw/zinc/04/15/03/562041503.db2.gz	LOZYBBRAEOAORI-OAQYLSRUSA-N	-1	0	507.499	3.282	1	0		KGAFRM
COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)cc1COc1c(F)c(F)ccc1OC	ZINC000034894478	562044037	/nfs/dbraw/zinc/04/40/37/562044037.db2.gz	PMCRAVNJJCHBOB-UHFFFAOYSA-N	-1	0	508.430	3.452	1	0		KGAFRM
CC(C)OC(=O)c1cnc(N2CCN(C(=O)[N-]S(=O)(=O)c3ccc(Cl)s3)CC2)c(Cl)c1	ZINC000035953398	562045961	/nfs/dbraw/zinc/04/59/61/562045961.db2.gz	XXFVNYOVKCSHGL-UHFFFAOYSA-N	-1	0	507.421	3.236	1	0		KGAFRM
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1	ZINC000036088567	562046279	/nfs/dbraw/zinc/04/62/79/562046279.db2.gz	MKMFGXFLVGUOEJ-PKTZIBPZSA-N	-1	0	524.624	3.024	1	0		KGAFRM
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)cc1	ZINC000036088570	562046418	/nfs/dbraw/zinc/04/64/18/562046418.db2.gz	MKMFGXFLVGUOEJ-DHIUTWEWSA-N	-1	0	524.624	3.024	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088659	562046436	/nfs/dbraw/zinc/04/64/36/562046436.db2.gz	IGUOOFVOEIWTLO-YADHBBJMSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088662	562046360	/nfs/dbraw/zinc/04/63/60/562046360.db2.gz	IGUOOFVOEIWTLO-VXKWHMMOSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088665	562046420	/nfs/dbraw/zinc/04/64/20/562046420.db2.gz	IGUOOFVOEIWTLO-FGZHOGPDSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Br)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088669	562046449	/nfs/dbraw/zinc/04/64/49/562046449.db2.gz	IGUOOFVOEIWTLO-FCHUYYIVSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088718	562046536	/nfs/dbraw/zinc/04/65/36/562046536.db2.gz	JJXLFSXLEHVLEP-YADHBBJMSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088722	562046521	/nfs/dbraw/zinc/04/65/21/562046521.db2.gz	JJXLFSXLEHVLEP-VXKWHMMOSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088725	562046544	/nfs/dbraw/zinc/04/65/44/562046544.db2.gz	JJXLFSXLEHVLEP-FGZHOGPDSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(Cl)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088728	562046537	/nfs/dbraw/zinc/04/65/37/562046537.db2.gz	JJXLFSXLEHVLEP-FCHUYYIVSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088752	562046530	/nfs/dbraw/zinc/04/65/30/562046530.db2.gz	UKSZLKJLWYGBCP-YADHBBJMSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088755	562046532	/nfs/dbraw/zinc/04/65/32/562046532.db2.gz	UKSZLKJLWYGBCP-VXKWHMMOSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088759	562046545	/nfs/dbraw/zinc/04/65/45/562046545.db2.gz	UKSZLKJLWYGBCP-FGZHOGPDSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccc(Cl)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088762	562046541	/nfs/dbraw/zinc/04/65/41/562046541.db2.gz	UKSZLKJLWYGBCP-FCHUYYIVSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3Br)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088796	562046610	/nfs/dbraw/zinc/04/66/10/562046610.db2.gz	KQDKUSKQCXTUFY-IRLDBZIGSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3Br)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088799	562046638	/nfs/dbraw/zinc/04/66/38/562046638.db2.gz	KQDKUSKQCXTUFY-UNMCSNQZSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3Br)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088802	562046623	/nfs/dbraw/zinc/04/66/23/562046623.db2.gz	KQDKUSKQCXTUFY-IFMALSPDSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3Br)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088805	562046674	/nfs/dbraw/zinc/04/66/74/562046674.db2.gz	KQDKUSKQCXTUFY-RBBKRZOGSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(Br)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088808	562046643	/nfs/dbraw/zinc/04/66/43/562046643.db2.gz	JXPVTNZQUAWEBP-YADHBBJMSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(Br)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088812	562046625	/nfs/dbraw/zinc/04/66/25/562046625.db2.gz	JXPVTNZQUAWEBP-VXKWHMMOSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(Br)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088816	562046629	/nfs/dbraw/zinc/04/66/29/562046629.db2.gz	JXPVTNZQUAWEBP-FGZHOGPDSA-N	-1	0	589.493	3.479	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(Br)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088820	562046607	/nfs/dbraw/zinc/04/66/07/562046607.db2.gz	JXPVTNZQUAWEBP-FCHUYYIVSA-N	-1	0	589.493	3.479	1	0		KGAFRM
Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1	ZINC000036088839	562046678	/nfs/dbraw/zinc/04/66/78/562046678.db2.gz	SXGDVRXCZSTLAD-GOTSBHOMSA-N	-1	0	524.624	3.024	1	0		KGAFRM
Cc1cccc(S(=O)(=O)N[C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1	ZINC000036088844	562046665	/nfs/dbraw/zinc/04/66/65/562046665.db2.gz	SXGDVRXCZSTLAD-PKTZIBPZSA-N	-1	0	524.624	3.024	1	0		KGAFRM
Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1	ZINC000036088847	562046676	/nfs/dbraw/zinc/04/66/76/562046676.db2.gz	SXGDVRXCZSTLAD-XZOQPEGZSA-N	-1	0	524.624	3.024	1	0		KGAFRM
Cc1cccc(S(=O)(=O)N[C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)cc2)c2nc3ccccc3[nH]2)c1	ZINC000036088850	562046641	/nfs/dbraw/zinc/04/66/41/562046641.db2.gz	SXGDVRXCZSTLAD-DHIUTWEWSA-N	-1	0	524.624	3.024	1	0		KGAFRM
Cc1ccccc1S(=O)(=O)N[C@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)cc1)c1nc2ccccc2[nH]1	ZINC000036088888	562046612	/nfs/dbraw/zinc/04/66/12/562046612.db2.gz	MQPIEJGFUCJWGT-GGAORHGYSA-N	-1	0	524.624	3.024	1	0		KGAFRM
Cc1ccccc1S(=O)(=O)N[C@H](Cc1ccc([C@H]2CC(=O)[N-]S2(=O)=O)cc1)c1nc2ccccc2[nH]1	ZINC000036088891	562046661	/nfs/dbraw/zinc/04/66/61/562046661.db2.gz	MQPIEJGFUCJWGT-FYYLOGMGSA-N	-1	0	524.624	3.024	1	0		KGAFRM
O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088895	562046669	/nfs/dbraw/zinc/04/66/69/562046669.db2.gz	JIMINBGQNCMUIO-IRLDBZIGSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3ccccc3Cl)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1	ZINC000036088898	562046808	/nfs/dbraw/zinc/04/68/08/562046808.db2.gz	JIMINBGQNCMUIO-IFMALSPDSA-N	-1	0	545.042	3.369	1	0		KGAFRM
O=C([C@@H]([N-]S(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1cscn1)N1CCC(CCF)CC1	ZINC000036093429	562047207	/nfs/dbraw/zinc/04/72/07/562047207.db2.gz	QETNVWCEGLMMRQ-OFVILXPXSA-N	-1	0	561.705	3.171	1	0		KGAFRM
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)C[P@@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000036153537	562048393	/nfs/dbraw/zinc/04/83/93/562048393.db2.gz	KZGJMDFWRSCWQN-OZNIXHKMSA-N	-1	0	637.674	3.444	1	0		KGAFRM
O=C([O-])c1cn(C2CCN(C(=O)N[C@@H]3N=C(c4ccccc4)c4ccccc4N(CC(F)(F)F)C3=O)CC2)c(=O)[nH]1	ZINC000036177846	562049565	/nfs/dbraw/zinc/04/95/65/562049565.db2.gz	RTFFDQKFVGCWJK-QFIPXVFZSA-N	-1	0	570.528	3.406	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(=O)COc1ccccc1)[C@H](O)C(=O)[O-])C(C)C	ZINC000036188240	562050919	/nfs/dbraw/zinc/05/09/19/562050919.db2.gz	PSWWSKOMFPZUDY-CKUQCPMJSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(=O)COc1ccccc1)[C@H](O)C(=O)[O-])C(C)C	ZINC000036188242	581097542	/nfs/dbraw/zinc/09/75/42/581097542.db2.gz	PSWWSKOMFPZUDY-UCIYOCMNSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C(=O)COc1ccccc1)[C@H](O)C(=O)[O-])C(C)C	ZINC000036188244	562050922	/nfs/dbraw/zinc/05/09/22/562050922.db2.gz	PSWWSKOMFPZUDY-LRSJAHTPSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CC[C@@H](C)CNC(=O)[C@@H](C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C(=O)COc1ccccc1)[C@H](O)C(=O)[O-])C(C)C	ZINC000036188246	581097574	/nfs/dbraw/zinc/09/75/74/581097574.db2.gz	PSWWSKOMFPZUDY-GAEHMECBSA-N	-1	0	590.758	3.337	1	0		KGAFRM
CCCCn1c(=O)n(CCOc2ccc(C(=O)[O-])cc2)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O	ZINC000036310641	562054964	/nfs/dbraw/zinc/05/49/64/562054964.db2.gz	HATCXGQFRSVOMP-UHFFFAOYSA-N	-1	0	515.566	3.387	1	0		KGAFRM
CCn1c(=O)n(C/C=C/COc2ccc(C(=O)[O-])cc2)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O	ZINC000036310654	562055006	/nfs/dbraw/zinc/05/50/06/562055006.db2.gz	KRYRYQRKHMRVEY-MDZDMXLPSA-N	-1	0	513.550	3.163	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@H](NC(=O)OCc3ccccc3)C(=O)N21	ZINC000036310712	562055000	/nfs/dbraw/zinc/05/50/00/562055000.db2.gz	FORCEXNNBSDSEI-NFGXINMFSA-N	-1	0	566.614	3.473	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N21	ZINC000036310714	562055036	/nfs/dbraw/zinc/05/50/36/562055036.db2.gz	FORCEXNNBSDSEI-LGTXBLIGSA-N	-1	0	566.614	3.473	1	0		KGAFRM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-]	ZINC000036330735	562055932	/nfs/dbraw/zinc/05/59/32/562055932.db2.gz	YREHJIJTACGDHN-GOTSBHOMSA-N	-1	0	534.723	3.229	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1	ZINC000036330751	562055921	/nfs/dbraw/zinc/05/59/21/562055921.db2.gz	FSRYIHNQMJZZLI-SVBPBHIXSA-N	-1	0	566.699	3.424	1	0		KGAFRM
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1)C(=O)[O-]	ZINC000036330754	562055934	/nfs/dbraw/zinc/05/59/34/562055934.db2.gz	IISMMMUDJAXNCM-UPVQGACJSA-N	-1	0	502.656	3.132	1	0		KGAFRM
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)C(=C([O-])c2ccc3c(ccn3C)c2)NC1=O	ZINC000036350339	562058112	/nfs/dbraw/zinc/05/81/12/562058112.db2.gz	XDKIIJAVVREZPB-SEEOCOAYSA-N	-1	0	621.779	3.186	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C(=O)Cc1ccccc1)[C@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1	ZINC000036774638	562061621	/nfs/dbraw/zinc/06/16/21/562061621.db2.gz	WVFVYHKXJBDHSE-KJMBSTGJSA-N	-1	0	668.832	3.003	1	0		KGAFRM
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)COC(=O)c1cccc(S(=O)(=O)[O-])c1	ZINC000038141718	562063396	/nfs/dbraw/zinc/06/33/96/562063396.db2.gz	TWQWRHIQRAZHPR-ITFDYIOBSA-N	-1	0	576.639	3.007	1	0		KGAFRM
O=C([O-])CC1CCN(C(=O)OC2([C@H]3COC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1	ZINC000038218443	562070490	/nfs/dbraw/zinc/07/04/90/562070490.db2.gz	JVHXATHOUXUFRN-LEWJYISDSA-N	-1	0	527.039	3.364	1	0		KGAFRM
Cc1cn(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(=O)nc1N1CCC(CNc2nc3ccccc3[nH]2)CC1	ZINC000038357622	562070925	/nfs/dbraw/zinc/07/09/25/562070925.db2.gz	DTNKZZXZAPCYPT-DEOSSOPVSA-N	-1	0	559.627	3.136	1	0		KGAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)NC(C)(C)C)CC3)s2)cc1	ZINC000040395266	562074500	/nfs/dbraw/zinc/07/45/00/562074500.db2.gz	SLNHKZUUBJBCKF-HXUWFJFHSA-N	-1	0	509.650	3.375	1	0		KGAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)OC(C)(C)C)CC3)s2)cn1	ZINC000040395339	562074490	/nfs/dbraw/zinc/07/44/90/562074490.db2.gz	RTLFSPXRTHASTA-LJQANCHMSA-N	-1	0	511.622	3.197	1	0		KGAFRM
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000040514545	562077577	/nfs/dbraw/zinc/07/75/77/562077577.db2.gz	OGATVNIGZXFFCD-FKBYEOEOSA-N	-1	0	508.508	3.091	1	0		KGAFRM
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000040514761	562077615	/nfs/dbraw/zinc/07/76/15/562077615.db2.gz	YPGYLYVEQCBUTM-VJBWXMMDSA-N	-1	0	506.536	3.407	1	0		KGAFRM
CCCN(C(=O)[C@@H](CC(=O)[O-])C(=O)[O-])C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000040592599	562078388	/nfs/dbraw/zinc/07/83/88/562078388.db2.gz	JBDGQWLVCASPKI-FGZHOGPDSA-N	-1	0	520.586	3.132	1	0		KGAFRM
O=C([O-])CCNC(=O)CN(CCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000040862379	562080831	/nfs/dbraw/zinc/08/08/31/562080831.db2.gz	PTXPSQOEAUMHFJ-UHFFFAOYSA-N	-1	0	509.795	3.307	1	0		KGAFRM
COC(=O)[C@]1(Cc2ccc(OS(=O)(=O)[O-])c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(O)cc1	ZINC000040866018	562081337	/nfs/dbraw/zinc/08/13/37/562081337.db2.gz	NWSMSBOLLCRCSY-XMMPIXPASA-N	-1	0	504.513	3.063	1	0		KGAFRM
CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)NC(C)C)CC3)s2)cc1	ZINC000040875149	562081998	/nfs/dbraw/zinc/08/19/98/562081998.db2.gz	JWKIHGMBZXIUII-OAQYLSRUSA-N	-1	0	509.650	3.375	1	0		KGAFRM
O=C([O-])CCNC(=O)CN(CCOc1ccc2c(c1)CCC2)S(=O)(=O)c1ccc(Cl)cc1Cl	ZINC000040877888	562082242	/nfs/dbraw/zinc/08/22/42/562082242.db2.gz	NAHWZCGISVFAEI-UHFFFAOYSA-N	-1	0	515.415	3.143	1	0		KGAFRM
CC(C)(C)OC(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)o2)C(=O)[O-])CC1	ZINC000040891536	562082549	/nfs/dbraw/zinc/08/25/49/562082549.db2.gz	LMPLLQMOSWHDKU-HXUWFJFHSA-N	-1	0	508.549	3.054	1	0		KGAFRM
CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1	ZINC000040936365	562085213	/nfs/dbraw/zinc/08/52/13/562085213.db2.gz	YCZPCJLVOPOEAY-ULFGMLNVSA-N	-1	0	516.023	3.047	1	0		KGAFRM
CN(c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000040950853	562085955	/nfs/dbraw/zinc/08/59/55/562085955.db2.gz	JOGPAHVMRGIBSE-LJQANCHMSA-N	-1	0	508.902	3.434	1	0		KGAFRM
CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000040950855	562085961	/nfs/dbraw/zinc/08/59/61/562085961.db2.gz	JOGPAHVMRGIBSE-IBGZPJMESA-N	-1	0	508.902	3.434	1	0		KGAFRM
O=C([N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)NC1CCCCC1	ZINC000040952155	562086164	/nfs/dbraw/zinc/08/61/64/562086164.db2.gz	LOICCZOEFBEJCZ-UHFFFAOYSA-N	-1	0	500.042	3.182	1	0		KGAFRM
CC1CCC(NC(=O)[N-]S(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000040952272	562086146	/nfs/dbraw/zinc/08/61/46/562086146.db2.gz	XNEJDUZOOSUHOB-UHFFFAOYSA-N	-1	0	514.069	3.428	1	0		KGAFRM
CN1CCc2nc(C(=O)N[C@@H]3CC[C@@H](C(=O)[O-])C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1	ZINC000040952817	562086321	/nfs/dbraw/zinc/08/63/21/562086321.db2.gz	YYXRTQKTSABROA-NJAPINKUSA-N	-1	0	516.023	3.047	1	0		KGAFRM
CCN(CC)C(=O)N1CCC([C@@H](NS(=O)(=O)c2ccc(-c3ccc(OC)cc3)s2)C(=O)[O-])CC1	ZINC000040956871	562086770	/nfs/dbraw/zinc/08/67/70/562086770.db2.gz	KHZOOCSTBFXVQU-OAQYLSRUSA-N	-1	0	509.650	3.329	1	0		KGAFRM
CN1CCc2nc(C(=O)N[C@@H]3C[C@H](C(=O)[O-])CC[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1	ZINC000040977453	562087346	/nfs/dbraw/zinc/08/73/46/562087346.db2.gz	YCZPCJLVOPOEAY-PZPSRYQVSA-N	-1	0	516.023	3.047	1	0		KGAFRM
CN1CCc2nc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C[C@@H]3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1	ZINC000040980190	562087468	/nfs/dbraw/zinc/08/74/68/562087468.db2.gz	YYXRTQKTSABROA-XZOAIXRZSA-N	-1	0	516.023	3.047	1	0		KGAFRM
O=C([O-])[C@@]1(N(CCN2CCCC2=O)S(=O)(=O)c2ccc(-c3ccncc3)cc2)C[C@H]1c1ccccc1	ZINC000040981245	562087507	/nfs/dbraw/zinc/08/75/07/562087507.db2.gz	MVVIFAMQVDXPOZ-RPLLCQBOSA-N	-1	0	505.596	3.373	1	0		KGAFRM
C[C@]12CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]1CC[C@@]1(C)C[C@@]3(O)[C@H](CC[C@H]21)[C@@]1(C)CC[C@@H](O)[C@](C)(CO)[C@@H]1C[C@@H]3O	ZINC000042803236	562088109	/nfs/dbraw/zinc/08/81/09/562088109.db2.gz	GXXMOCUQFZJZRW-MEWBIXJBSA-N	-1	0	522.723	3.342	1	0	biogenic,in-vitro	KGAFRM
CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CC[NH+]4CCN(C)CC4)cc3)ncc2c1=O	ZINC000042835618	581098359	/nfs/dbraw/zinc/09/83/59/581098359.db2.gz	IUQURQCHOSRPJM-UHFFFAOYSA-N	-1	0	553.667	3.094	1	0		KGAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)OCCS(C)(=O)=O)ccc12)C(=O)[O-]	ZINC000043061395	562645190	/nfs/dbraw/zinc/64/51/90/562645190.db2.gz	NZFXVEQIRZMPRQ-IBGZPJMESA-N	-1	0	528.630	3.035	1	0		KGAFRM
C[C@@](Cc1ccc(Oc2cc(N3CCN(c4ncccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-]	ZINC000043071426	562645534	/nfs/dbraw/zinc/64/55/34/562645534.db2.gz	BNHDABHPDDHZAL-NDEPHWFRSA-N	-1	0	527.585	3.433	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cccc(-c3ccccc3)n2)CC1	ZINC000043119137	562645991	/nfs/dbraw/zinc/64/59/91/562645991.db2.gz	MPJAXPQVSZDRED-QHCPKHFHSA-N	-1	0	510.591	3.183	1	0		KGAFRM
O=C(CN1CCOCC1)Nc1ccc(CCNC(=O)c2ccc([O-])c3nc(-c4ccc(F)cc4)[nH]c32)cc1	ZINC000043119696	562646003	/nfs/dbraw/zinc/64/60/03/562646003.db2.gz	PQZZKQYERRCWBV-UHFFFAOYSA-N	-1	0	517.561	3.318	1	0		KGAFRM
O=C([O-])c1scc2[nH]c(=O)n(-c3cc(S(=O)(=O)N4CCCc5ccccc54)ccc3Cl)c(=O)c21	ZINC000043152961	562646461	/nfs/dbraw/zinc/64/64/61/562646461.db2.gz	OAPXLIYGMXPBRL-UHFFFAOYSA-N	-1	0	517.972	3.234	1	0		KGAFRM
COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)cc1OCc1c(F)c(F)ccc1OC	ZINC000043152963	562646441	/nfs/dbraw/zinc/64/64/41/562646441.db2.gz	BMAAMIIYNNPHAB-UHFFFAOYSA-N	-1	0	508.430	3.452	1	0		KGAFRM
COCCOc1ccc(F)c(F)c1COc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)[O-])c3c2=O)c1	ZINC000043152964	562646458	/nfs/dbraw/zinc/64/64/58/562646458.db2.gz	VBCUMMKWZIJEND-UHFFFAOYSA-N	-1	0	522.457	3.460	1	0		KGAFRM
COc1ccc(S(=O)(=O)[O-])cc1[C@]1(C2CCN(Cc3ccc(Br)cc3)CC2)CCC(=O)NC1=O	ZINC000043172459	562646606	/nfs/dbraw/zinc/64/66/06/562646606.db2.gz	OAMHMUWIKBFYCK-XMMPIXPASA-N	-1	0	551.459	3.291	1	0		KGAFRM
COc1ccc(S(=O)(=O)[O-])cc1[C@@]1(C2CCN(Cc3ccc(Br)cc3)CC2)CCC(=O)NC1=O	ZINC000043172461	562646598	/nfs/dbraw/zinc/64/65/98/562646598.db2.gz	OAMHMUWIKBFYCK-DEOSSOPVSA-N	-1	0	551.459	3.291	1	0		KGAFRM
O=C([O-])c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1	ZINC000043201616	562646918	/nfs/dbraw/zinc/64/69/18/562646918.db2.gz	FMPAHDTULKAUPN-SYZXBLONSA-N	-1	0	516.945	3.393	1	0	in-vitro	KGAFRM
COc1cc(OC)nc(-c2nc(N3CC[C@@H](NC(=O)c4[nH]c(C)c(Cl)c4Cl)[C@@H](OC)C3)sc2C(=O)[O-])n1	ZINC000043201709	562646924	/nfs/dbraw/zinc/64/69/24/562646924.db2.gz	DTISYFUURJSZEL-MNOVXSKESA-N	-1	0	571.443	3.283	1	0		KGAFRM
Cc1cc(S(=O)(=O)NCCC(=O)[O-])ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1	ZINC000043203224	562646958	/nfs/dbraw/zinc/64/69/58/562646958.db2.gz	GZZVZWYVRPVSBJ-UHFFFAOYSA-N	-1	0	515.636	3.339	1	0		KGAFRM
CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(=O)OCC(C)C)c(=O)oc3c2C)OC1(C)C	ZINC000043241734	562647192	/nfs/dbraw/zinc/64/71/92/562647192.db2.gz	INSVMHOWXPAOIM-ZYPUAGOQSA-N	-1	0	573.595	3.372	1	0		KGAFRM
CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC(F)(F)F	ZINC000043322255	562647646	/nfs/dbraw/zinc/64/76/46/562647646.db2.gz	XJVDNQJWHQUXJA-UHFFFAOYSA-N	-1	0	525.958	3.002	1	0		KGAFRM
CC(=O)N[C@H](Cc1cc(I)c(OCCc2ccc(O)cc2)c(I)c1)C(=O)[O-]	ZINC000043323452	562647827	/nfs/dbraw/zinc/64/78/27/562647827.db2.gz	VNOPCJOOTXOOGA-QGZVFWFLSA-N	-1	0	595.171	3.355	1	0		KGAFRM
CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c([O-])c(C(=O)CSC)c(=O)oc3c2C)OC1(C)C	ZINC000043683244	562650763	/nfs/dbraw/zinc/65/07/63/562650763.db2.gz	ULEOALOFQPUEGG-PCEGQDSGSA-N	-1	0	561.609	3.104	1	0		KGAFRM
O=C([O-])[C@@H]1CC=CC(=O)[C@@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCSC[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000043938894	562651283	/nfs/dbraw/zinc/65/12/83/562651283.db2.gz	GMWGOKOUAIZYCL-MYSJAJEPSA-N	-1	0	553.589	3.460	1	0		KGAFRM
O=C([O-])[C@@H]1CC=CC(=O)[C@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCSC[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000043938896	562651300	/nfs/dbraw/zinc/65/13/00/562651300.db2.gz	GMWGOKOUAIZYCL-CHOVIJNXSA-N	-1	0	553.589	3.460	1	0		KGAFRM
Nc1cc2c(cc1N1CCN(c3nc4ccccc4s3)CC1)n(N1CCN(c3ccccn3)CC1)cc(C(=O)[O-])c2=O	ZINC000043990382	562651379	/nfs/dbraw/zinc/65/13/79/562651379.db2.gz	BWLBXIDWTFIICE-UHFFFAOYSA-N	-1	0	582.690	3.071	1	0		KGAFRM
COc1c(N2CCN(c3nnc(-c4ncc([N+](=O)[O-])n4C)s3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000044352235	562655036	/nfs/dbraw/zinc/65/50/36/562655036.db2.gz	JGUXHDGKEMBZJS-GFCCVEGCSA-N	-1	0	584.590	3.058	1	0		KGAFRM
COC(=O)[C@@](O)(C[C@H](C)CC/C=C(/C)CC/C=C(/C)CCCC1=CCN(CC(=O)[O-])C1=O)[C@](C)(O)C(=O)OC	ZINC000044406019	562656788	/nfs/dbraw/zinc/65/67/88/562656788.db2.gz	BXUMMDVJUSSJPJ-ONFXBMHMSA-N	-1	0	551.677	3.317	1	0		KGAFRM
COC(=O)[C@](C)(O)[C@](O)(C[C@H](C)CC/C=C(/C)CC/C=C(/C)CCCC1=CCN(CC(=O)[O-])C1=O)C(=O)OC	ZINC000044406023	562656782	/nfs/dbraw/zinc/65/67/82/562656782.db2.gz	BXUMMDVJUSSJPJ-NWHRMUCYSA-N	-1	0	551.677	3.317	1	0		KGAFRM
CC(=O)O[C@@H]1C(=O)C2=C([C@@H](O)C[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@H](C)CCC(=O)[O-])[C@@]12C	ZINC000044406098	562656789	/nfs/dbraw/zinc/65/67/89/562656789.db2.gz	QPEKELRREXLZJP-WGULIUFBSA-N	-1	0	518.647	3.468	1	0		KGAFRM
CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(S(=O)(=O)CC(C)C)CC3)s2)cc1	ZINC000044406149	562656810	/nfs/dbraw/zinc/65/68/10/562656810.db2.gz	BMHIZVXENVBSST-JOCHJYFZSA-N	-1	0	544.717	3.243	1	0		KGAFRM
COC(=O)[C@@](O)(C[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CCN(CC(=O)[O-])C1=O)[C@](C)(O)C(=O)OC	ZINC000044406378	562656868	/nfs/dbraw/zinc/65/68/68/562656868.db2.gz	PBGOFPAIXNMCGP-KLFRSQRHSA-N	-1	0	551.677	3.317	1	0		KGAFRM
COC(=O)[C@](C)(O)[C@](O)(C[C@H](C)CCC/C(C)=C/CC/C(C)=C/CCC1=CCN(CC(=O)[O-])C1=O)C(=O)OC	ZINC000044406382	562656833	/nfs/dbraw/zinc/65/68/33/562656833.db2.gz	PBGOFPAIXNMCGP-LGTWRFIMSA-N	-1	0	551.677	3.317	1	0		KGAFRM
CCC[C@H]1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)S(=O)(=O)N1C	ZINC000044416841	562656992	/nfs/dbraw/zinc/65/69/92/562656992.db2.gz	KGAVERGGIXOHFH-LEWJYISDSA-N	-1	0	563.654	3.196	1	0		KGAFRM
CCC[C@H]1C(=O)N([C@H](CCC(=O)OC)Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)S(=O)(=O)N1C	ZINC000044416846	562656975	/nfs/dbraw/zinc/65/69/75/562656975.db2.gz	KGAVERGGIXOHFH-SFTDATJTSA-N	-1	0	563.654	3.196	1	0		KGAFRM
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)c2cnccc2C)cc1	ZINC000044417977	562657226	/nfs/dbraw/zinc/65/72/26/562657226.db2.gz	DCDFVKDUIGKXRF-UMXIMWEHSA-N	-1	0	556.685	3.122	1	0		KGAFRM
CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)c2sc(C)nc2C)cc1	ZINC000044430667	562657606	/nfs/dbraw/zinc/65/76/06/562657606.db2.gz	DJRVVLWXUBGPPP-ACIOBRDBSA-N	-1	0	576.741	3.492	1	0		KGAFRM
COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@@H](O)[C@H](CC(=O)[O-])N2C(=O)c1ccccc1	ZINC000044431003	562657734	/nfs/dbraw/zinc/65/77/34/562657734.db2.gz	WOFXLYGJQVCJPU-URORMMCBSA-N	-1	0	534.565	3.022	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(Cl)c4Cl)CC3)nc21	ZINC000045256967	562659920	/nfs/dbraw/zinc/65/99/20/562659920.db2.gz	PCHWOQLNZAWANN-UHFFFAOYSA-N	-1	0	507.403	3.335	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4ccc(C(F)(F)F)cc4)CC3)nc21	ZINC000045259335	562659959	/nfs/dbraw/zinc/65/99/59/562659959.db2.gz	DEKWQMMVPGEFFP-UHFFFAOYSA-N	-1	0	506.510	3.047	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cc(Cl)ccc4Cl)CC3)nc21	ZINC000045261144	562660051	/nfs/dbraw/zinc/66/00/51/562660051.db2.gz	DMNONMPFWGMRCB-UHFFFAOYSA-N	-1	0	507.403	3.335	1	0		KGAFRM
COc1ccc2nc(NC(=O)[C@@H](CC3CCCC3)c3ccc(S(=O)(=O)NCC(=O)[O-])cc3)sc2n1	ZINC000045290299	562660350	/nfs/dbraw/zinc/66/03/50/562660350.db2.gz	YKLGWSWDUMWHGE-KRWDZBQOSA-N	-1	0	518.617	3.365	1	0		KGAFRM
COc1ccc2nc(NC(=O)[C@H](CC3CCCC3)c3ccc(S(=O)(=O)NCC(=O)[O-])cc3)sc2n1	ZINC000045290302	562660326	/nfs/dbraw/zinc/66/03/26/562660326.db2.gz	YKLGWSWDUMWHGE-QGZVFWFLSA-N	-1	0	518.617	3.365	1	0		KGAFRM
O=C([O-])CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OC2CCCCC2)CC1	ZINC000045355930	562661903	/nfs/dbraw/zinc/66/19/03/562661903.db2.gz	ZSMDUIAZQCUKBJ-DEOSSOPVSA-N	-1	0	522.602	3.325	1	0		KGAFRM
CC(C)(C)CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cccc(-c3ccccc3)n2)CC1	ZINC000045364570	562662024	/nfs/dbraw/zinc/66/20/24/562662024.db2.gz	KHDHNZYGEGHHJX-QHCPKHFHSA-N	-1	0	524.618	3.429	1	0		KGAFRM
O=C([O-])CC[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N1CCN(C(=O)OCC2CCCC2)CC1	ZINC000045366781	562662083	/nfs/dbraw/zinc/66/20/83/562662083.db2.gz	WSFPOQJWAMIGPU-DEOSSOPVSA-N	-1	0	522.602	3.183	1	0		KGAFRM
CC(C)CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cccc(-c3ccccc3)n2)CC1	ZINC000045368778	562662152	/nfs/dbraw/zinc/66/21/52/562662152.db2.gz	VBVQLLCINBCHCB-QHCPKHFHSA-N	-1	0	510.591	3.039	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000049033397	562663431	/nfs/dbraw/zinc/66/34/31/562663431.db2.gz	QYDXZYCVGDZMPK-DOAZHDKUSA-N	-1	0	505.615	3.034	1	0		KGAFRM
CNC(=O)c1cc(NC(=O)[C@@](C)([NH3+])COP(=O)([O-])[O-])ccc1OCCc1ccc(-c2ccccc2)cc1	ZINC000049069132	562664018	/nfs/dbraw/zinc/66/40/18/562664018.db2.gz	DRHULOVBBFRMJV-SANMLTNESA-N	-1	0	527.514	3.100	1	0		KGAFRM
COc1cc(-c2cc(SC)nc([N-]c3nc(NCCCN4CCOCC4)nc(NCCCN4CCOCC4)n3)n2)cc(OC)c1OC	ZINC000049615776	562666645	/nfs/dbraw/zinc/66/66/45/562666645.db2.gz	UYYCWHKPFUAAQE-UHFFFAOYSA-N	-1	0	670.841	3.088	1	0		KGAFRM
CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N(C)CCS(C)(=O)=O)cc(-c3ccccc3)n2)CC1	ZINC000049616121	562666769	/nfs/dbraw/zinc/66/67/69/562666769.db2.gz	IAGNSWHCRLOSBJ-SANMLTNESA-N	-1	0	659.806	3.054	1	0		KGAFRM
CN(CCS(C)(=O)=O)c1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)N2CCN(C(=O)OCCC3CCCC3)CC2)nc(-c2ccccc2)c1	ZINC000049650191	562668050	/nfs/dbraw/zinc/66/80/50/562668050.db2.gz	UBYTXRHCAQSGCE-MHZLTWQESA-N	-1	0	671.817	3.054	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(CC(=O)NCC)CC3)nc(-c3ccccc3)n2)CC1	ZINC000049670144	562668230	/nfs/dbraw/zinc/66/82/30/562668230.db2.gz	KNAFSCAQXWZIFH-MHZLTWQESA-N	-1	0	679.819	3.320	1	0		KGAFRM
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CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(CO)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049745571	562673950	/nfs/dbraw/zinc/67/39/50/562673950.db2.gz	DHPUDFFYGVXJKK-MHZLTWQESA-N	-1	0	623.751	3.392	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(C(=O)NC)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049745655	562674019	/nfs/dbraw/zinc/67/40/19/562674019.db2.gz	HBBKRUIVEKQEGQ-MHZLTWQESA-N	-1	0	650.777	3.145	1	0		KGAFRM
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CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(C(=O)NCCC)cc(-c3ccccc3)n2)CC1	ZINC000049746174	562674308	/nfs/dbraw/zinc/67/43/08/562674308.db2.gz	OSUIDTZJTHLYLW-DEOSSOPVSA-N	-1	0	595.697	3.323	1	0		KGAFRM
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CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(CCCO)cc(-c3ccccc3)n2)CC1	ZINC000049757408	562675966	/nfs/dbraw/zinc/67/59/66/562675966.db2.gz	AMUKYTROGRJGRA-DEOSSOPVSA-N	-1	0	568.671	3.108	1	0		KGAFRM
C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC[C@@H]1C[N-]S(=O)(=O)C(F)(F)F	ZINC000049757476	562676027	/nfs/dbraw/zinc/67/60/27/562676027.db2.gz	QUQABDQMEBGYEW-UONOGXRCSA-N	-1	0	593.042	3.398	1	0		KGAFRM
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CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(C(=O)C(C)C)CC3)cc(-c3ccccc3)n2)CC1	ZINC000049767367	562677542	/nfs/dbraw/zinc/67/75/42/562677542.db2.gz	WBWBDWHLNLNYJJ-NDEPHWFRSA-N	-1	0	664.804	3.487	1	0		KGAFRM
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COC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)C(=O)c4c[nH]c5ccc(Br)cc45)CC3)c(F)c2)C(=O)O1	ZINC000049877516	562690179	/nfs/dbraw/zinc/69/01/79/562690179.db2.gz	PZCPEYOHRMSPAM-KRWDZBQOSA-N	-1	0	618.485	3.447	1	0		KGAFRM
CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(C(=O)C4CCOCC4)CC3)s2)cc1	ZINC000049878729	562690779	/nfs/dbraw/zinc/69/07/79/562690779.db2.gz	VHHYCDSHISCLLA-HSZRJFAPSA-N	-1	0	536.672	3.211	1	0		KGAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C3CCN(S(=O)(=O)c4ccccc4)CC3)s2)cc1	ZINC000049881512	562690865	/nfs/dbraw/zinc/69/08/65/562690865.db2.gz	SNWCXQPNOQQJPW-HSZRJFAPSA-N	-1	0	550.680	3.256	1	0		KGAFRM
C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@@H]2C[C@H](O)[C@H](/C=C/C=C/C=C/C(=O)[O-])O2)[C@H](O)[C@H](O)C1(C)C	ZINC000049889119	562691817	/nfs/dbraw/zinc/69/18/17/562691817.db2.gz	FINYNECBRYBQJR-JLVADAEWSA-N	-1	0	659.817	3.132	1	0		KGAFRM
COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2ccccn2)N(CCCCCCCC(=O)[O-])[C@@H]1c1ccccn1	ZINC000052637205	562695896	/nfs/dbraw/zinc/69/58/96/562695896.db2.gz	CGCCJOQRVQUCFH-WAPCQROESA-N	-1	0	511.575	3.147	1	0		KGAFRM
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H](c2ccccn2)N(CCCCCCCC(=O)[O-])[C@H]1c1ccccn1	ZINC000052637206	562695895	/nfs/dbraw/zinc/69/58/95/562695895.db2.gz	CGCCJOQRVQUCFH-NEWJYFPISA-N	-1	0	511.575	3.147	1	0		KGAFRM
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccccn2)N(CCCCCCCC(=O)[O-])[C@H]1c1ccccn1	ZINC000052637208	562695886	/nfs/dbraw/zinc/69/58/86/562695886.db2.gz	CGCCJOQRVQUCFH-YCAMKHIRSA-N	-1	0	511.575	3.147	1	0		KGAFRM
COC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H](c2ccccn2)N(CCCCCCCC(=O)[O-])[C@H]1c1ccccn1	ZINC000052637210	562695918	/nfs/dbraw/zinc/69/59/18/562695918.db2.gz	CGCCJOQRVQUCFH-NVPYSNMXSA-N	-1	0	511.575	3.147	1	0		KGAFRM
C[C@](Cc1ccc(Oc2cc(N3CCN(c4ncccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-]	ZINC000056948335	562697910	/nfs/dbraw/zinc/69/79/10/562697910.db2.gz	BNHDABHPDDHZAL-MUUNZHRXSA-N	-1	0	527.585	3.433	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@@H](CO)C3)cc(-c3ccccc3)n2)CC1	ZINC000058468212	562697901	/nfs/dbraw/zinc/69/79/01/562697901.db2.gz	GOYTYHASLSAVTG-ZEQKJWHPSA-N	-1	0	609.724	3.001	1	0		KGAFRM
CCCN[C@@H]1COCCN1c1nc([N-]c2nc(SC)cc(-c3cc(OC)c(OC)c(OC)c3)n2)nc(N2CCOC[C@H]2NCCC)n1	ZINC000058468454	562697929	/nfs/dbraw/zinc/69/79/29/562697929.db2.gz	QYFBRDOQAYEJGC-DQEYMECFSA-N	-1	0	670.841	3.145	1	0		KGAFRM
O=C([O-])C1=C(/C=C/CNC(=O)c2cccnc2)CS[C@@H]2[C@H](NC(=O)CSc3ccc4ccccc4c3)C(=O)N12	ZINC000058506215	562698360	/nfs/dbraw/zinc/69/83/60/562698360.db2.gz	KFLFJLQBRYIZNR-ZOHBHSSYSA-N	-1	0	560.657	3.052	1	0		KGAFRM
CC(C)C[C@H](O[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000058525357	562698632	/nfs/dbraw/zinc/69/86/32/562698632.db2.gz	OGATVNIGZXFFCD-BHIFYINESA-N	-1	0	508.508	3.091	1	0		KGAFRM
CC(C)C[C@H](C[P@](=O)([O-])CNC(=O)OCc1ccccc1)[C@@H](O)[NH2+][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000058525388	562698634	/nfs/dbraw/zinc/69/86/34/562698634.db2.gz	YPGYLYVEQCBUTM-DNVJHFABSA-N	-1	0	506.536	3.407	1	0		KGAFRM
CC(C)C[C@H](N[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](O)[NH2+][C@H](C)C(=O)[O-]	ZINC000058525468	562698645	/nfs/dbraw/zinc/69/86/45/562698645.db2.gz	IBIVKJSACNCNGT-MSYGRNIXSA-N	-1	0	521.551	3.052	1	0		KGAFRM
Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)OCc1ccccc1	ZINC000058534077	562698674	/nfs/dbraw/zinc/69/86/74/562698674.db2.gz	BDTUWFFDGNBVTD-HVCNVCAESA-N	-1	0	611.692	3.225	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccncc2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1	ZINC000058580965	562699712	/nfs/dbraw/zinc/69/97/12/562699712.db2.gz	OXXJGCNNXJQHSX-UPRLRBBYSA-N	-1	0	580.597	3.493	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccccn2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1	ZINC000058580967	562699716	/nfs/dbraw/zinc/69/97/16/562699716.db2.gz	WLZALXYANHGXRL-UPRLRBBYSA-N	-1	0	580.597	3.493	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2cccnc2)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)Nc1ccccc1-c1ccccc1	ZINC000058580970	562699732	/nfs/dbraw/zinc/69/97/32/562699732.db2.gz	OACJDCOQTKWUGU-UPRLRBBYSA-N	-1	0	580.597	3.493	1	0		KGAFRM
O=C([O-])C1=C(/C=C/CNS(=O)(=O)c2ccccc2)CS[C@@H]2[C@H](NC(=O)CSc3ccc4ccccc4c3)C(=O)N12	ZINC000058581569	562699797	/nfs/dbraw/zinc/69/97/97/562699797.db2.gz	CJRIMHOFYLPXOM-PNXPKCJESA-N	-1	0	595.724	3.205	1	0		KGAFRM
CC(=O)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)[O-]	ZINC000058582001	562699928	/nfs/dbraw/zinc/69/99/28/562699928.db2.gz	LFNWSXGKAAHEMT-KRWDZBQOSA-N	-1	0	512.777	3.164	1	0		KGAFRM
O=C1OCCCN1c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12	ZINC000058582579	562699945	/nfs/dbraw/zinc/69/99/45/562699945.db2.gz	WWFFMRLAZZWKBK-UHFFFAOYSA-N	-1	0	537.573	3.437	1	0		KGAFRM
CCCN[C@H]1COCCN1c1nc([N-]c2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)nc(N2CCOC[C@H]2NCCC)n1	ZINC000058582785	562699998	/nfs/dbraw/zinc/69/99/98/562699998.db2.gz	SHUDAVMAAAQQNV-PLQXJYEYSA-N	-1	0	640.815	3.136	1	0		KGAFRM
CN1CCCN(c2cc(N3CCOCC3)cn3c(=O)c([O-])c(-c4ncc(Cc5ccc(F)cc5)s4)nc23)C1=O	ZINC000058583036	562700019	/nfs/dbraw/zinc/70/00/19/562700019.db2.gz	VZGYVPGZXYUAIU-UHFFFAOYSA-N	-1	0	550.616	3.352	1	0		KGAFRM
Cc1nnc(NC(=O)[C@@H]2OCO[C@H]2C(=O)N[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)[O-])s1	ZINC000058583234	562700090	/nfs/dbraw/zinc/70/00/90/562700090.db2.gz	ICFCAIXGDGBDSO-XUVXKRRUSA-N	-1	0	581.434	3.224	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1OCO[C@H]1C(=O)NCc1ccc2c(c1)OCO2	ZINC000058591176	562700430	/nfs/dbraw/zinc/70/04/30/562700430.db2.gz	JTASSQLBLFQSDP-HDYLNDSGSA-N	-1	0	617.438	3.471	1	0		KGAFRM
O=C1OCCN1c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12	ZINC000058591968	562700542	/nfs/dbraw/zinc/70/05/42/562700542.db2.gz	FQDBXSGMGHFFIC-UHFFFAOYSA-N	-1	0	523.546	3.047	1	0		KGAFRM
CC(C)(C)NC(=O)[C@@H]1OCO[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)[O-]	ZINC000058651089	562701318	/nfs/dbraw/zinc/70/13/18/562701318.db2.gz	DZJZWOCPHOOKEG-PWRODBHTSA-N	-1	0	539.412	3.341	1	0		KGAFRM
COc1c(N2CCC[C@H](N(C)CCN3C(=O)C(=O)c4cc(F)ccc43)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000058655420	562701326	/nfs/dbraw/zinc/70/13/26/562701326.db2.gz	XQPVMRWAXMNZAC-SFHVURJKSA-N	-1	0	580.588	3.452	1	0		KGAFRM
O=C1CCCN1c1cc(N2CCOCC2)cn2c(=O)c([O-])c(-c3ncc(Cc4ccc(F)cc4)s3)nc12	ZINC000058660974	562701422	/nfs/dbraw/zinc/70/14/22/562701422.db2.gz	BBLXSYUZBXVMHO-UHFFFAOYSA-N	-1	0	521.574	3.217	1	0		KGAFRM
CCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)C[NH2+]CC[P@](=O)([O-])[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000058677895	562701510	/nfs/dbraw/zinc/70/15/10/562701510.db2.gz	SYZYBPFCQPDGMW-ZONZVBGPSA-N	-1	0	630.679	3.092	1	0		KGAFRM
CO[C@H]1CN(c2nc(-c3ncccn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000059128895	562701718	/nfs/dbraw/zinc/70/17/18/562701718.db2.gz	OSHOLVCAJUAKIU-MNOVXSKESA-N	-1	0	511.391	3.265	1	0		KGAFRM
CO[C@H]1CN(c2nc(-c3ccncn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000059128898	562701717	/nfs/dbraw/zinc/70/17/17/562701717.db2.gz	PUERARBRJYRHQA-PWSUYJOCSA-N	-1	0	511.391	3.265	1	0		KGAFRM
CO[C@H]1CN(c2nc(-c3cnccn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000059129273	562701711	/nfs/dbraw/zinc/70/17/11/562701711.db2.gz	XHLRICGKGAEKEB-PWSUYJOCSA-N	-1	0	511.391	3.265	1	0		KGAFRM
COCn1ccnc1-c1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](OC)C2)sc1C(=O)[O-]	ZINC000059129427	562701766	/nfs/dbraw/zinc/70/17/66/562701766.db2.gz	HJHYIVAJQXEXCN-NEPJUHHUSA-N	-1	0	543.433	3.276	1	0		KGAFRM
CO[C@H]1CN(c2nc(-c3nccn3C)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000059129593	562701764	/nfs/dbraw/zinc/70/17/64/562701764.db2.gz	WGUQUFAQRYHLPM-MNOVXSKESA-N	-1	0	513.407	3.209	1	0		KGAFRM
CO[C@H]1CN(c2nc(-c3cn(C)cn3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000059130170	562701753	/nfs/dbraw/zinc/70/17/53/562701753.db2.gz	MVAFQBHRHCIMSF-PWSUYJOCSA-N	-1	0	513.407	3.209	1	0		KGAFRM
COc1ccnc(-c2nc(N3CC[C@@H](NC(=O)c4[nH]c(C)c(Cl)c4Cl)[C@@H](OC)C3)sc2C(=O)[O-])n1	ZINC000059130173	562701749	/nfs/dbraw/zinc/70/17/49/562701749.db2.gz	SZSDINAPKOESMU-MNOVXSKESA-N	-1	0	541.417	3.274	1	0		KGAFRM
COc1c(-c2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C	ZINC000059185692	562701876	/nfs/dbraw/zinc/70/18/76/562701876.db2.gz	VQTJHVDHKTWBNP-UHFFFAOYSA-N	-1	0	500.602	3.480	1	0		KGAFRM
CCCN[C@H]1COCCN1c1nc([N-]c2nc(SC)cc(-c3ccc(OC)c(OC)c3)n2)nc(N2CCOC[C@@H]2NCCC)n1	ZINC000064373341	562704873	/nfs/dbraw/zinc/70/48/73/562704873.db2.gz	SHUDAVMAAAQQNV-JWQCQUIFSA-N	-1	0	640.815	3.136	1	0		KGAFRM
COc1cc(C(=O)Nc2c([O-])c3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(=O)c5ccc(C)[nH]5)[C@H]4O)cc3oc2=O)ccc1O	ZINC000064447245	562705351	/nfs/dbraw/zinc/70/53/51/562705351.db2.gz	JURYCYSCKRZQLD-YYZJCXNBSA-N	-1	0	624.599	3.217	1	0		KGAFRM
COc1c(N2CCC[C@@H](N(C)CCN3C(=O)C(=O)c4cc(F)ccc43)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000064454581	562705760	/nfs/dbraw/zinc/70/57/60/562705760.db2.gz	XQPVMRWAXMNZAC-GOSISDBHSA-N	-1	0	580.588	3.452	1	0		KGAFRM
C[C@H]([N-]S(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1	ZINC000064513671	562706476	/nfs/dbraw/zinc/70/64/76/562706476.db2.gz	QPJCCKUGCSHYFW-HNNXBMFYSA-N	-1	0	597.634	3.246	1	0		KGAFRM
C[C@@H]([N-]S(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1	ZINC000064513674	562706469	/nfs/dbraw/zinc/70/64/69/562706469.db2.gz	QPJCCKUGCSHYFW-OAHLLOKOSA-N	-1	0	597.634	3.246	1	0		KGAFRM
C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@H]1C[N-]S(=O)(=O)C(F)(F)F	ZINC000064527021	562706719	/nfs/dbraw/zinc/70/67/19/562706719.db2.gz	KXVJNLDVYFFXNH-WBVHZDCISA-N	-1	0	597.634	3.103	1	0		KGAFRM
C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@@H]1C[N-]S(=O)(=O)C(F)(F)F	ZINC000064527192	562706846	/nfs/dbraw/zinc/70/68/46/562706846.db2.gz	KXVJNLDVYFFXNH-NVXWUHKLSA-N	-1	0	597.634	3.103	1	0		KGAFRM
O=S(=O)([N-]CC[C@H]1CCCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C1)C(F)(F)F	ZINC000064528040	562707238	/nfs/dbraw/zinc/70/72/38/562707238.db2.gz	LDWKJEMTUZWRTE-MRXNPFEDSA-N	-1	0	597.634	3.247	1	0		KGAFRM
O=S(=O)([N-]CC[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C1)C(F)(F)F	ZINC000064528041	562707211	/nfs/dbraw/zinc/70/72/11/562707211.db2.gz	LDWKJEMTUZWRTE-INIZCTEOSA-N	-1	0	597.634	3.247	1	0		KGAFRM
CC1(C[N-]S(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1	ZINC000064528228	562707249	/nfs/dbraw/zinc/70/72/49/562707249.db2.gz	MLOCWWJAICPQFP-UHFFFAOYSA-N	-1	0	597.634	3.247	1	0		KGAFRM
C[C@@H]([N-]S(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)n2cccc2S(=O)(=O)c2ccccc2F)cc1	ZINC000064528429	562707377	/nfs/dbraw/zinc/70/73/77/562707377.db2.gz	LHBJAKYMCKDZJS-CYBMUJFWSA-N	-1	0	540.538	3.197	1	0		KGAFRM
CC1(C)CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@@H]1C[N-]S(=O)(=O)C(F)(F)F	ZINC000064528469	562707368	/nfs/dbraw/zinc/70/73/68/562707368.db2.gz	LDUJMRHXJPYKFT-QGZVFWFLSA-N	-1	0	611.661	3.493	1	0		KGAFRM
CC1(C)CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@H]1C[N-]S(=O)(=O)C(F)(F)F	ZINC000064528470	562707364	/nfs/dbraw/zinc/70/73/64/562707364.db2.gz	LDUJMRHXJPYKFT-KRWDZBQOSA-N	-1	0	611.661	3.493	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(=O)[O-]	ZINC000064532024	562707408	/nfs/dbraw/zinc/70/74/08/562707408.db2.gz	IEZUTDJHDVXOKT-IUNIUWFISA-N	-1	0	502.589	3.275	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)[O-]	ZINC000064532134	562707420	/nfs/dbraw/zinc/70/74/20/562707420.db2.gz	JRNVXXWCJAJTSN-KDBSYOKJSA-N	-1	0	514.600	3.068	1	0		KGAFRM
C[C@H]1C[C@H](C[N-]S(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F	ZINC000064539323	562707515	/nfs/dbraw/zinc/70/75/15/562707515.db2.gz	MSTABAOAMFHNIT-JKSUJKDBSA-N	-1	0	597.634	3.246	1	0		KGAFRM
O=C(NCc1ccc(F)cc1)c1nc2c(OCc3ccc(F)cc3)cc(N3CCOCC3)cn2c(=O)c1[O-]	ZINC000064539817	562707618	/nfs/dbraw/zinc/70/76/18/562707618.db2.gz	SNMMNXQZLGJXCJ-UHFFFAOYSA-N	-1	0	522.508	3.024	1	0		KGAFRM
O=c1c([O-])c(-c2ncc(Cc3ccc(F)cc3)o2)nc2c(I)cc(N3CCOCC3)cn12	ZINC000064540152	562707646	/nfs/dbraw/zinc/70/76/46/562707646.db2.gz	JUZRETXRNBMUFO-UHFFFAOYSA-N	-1	0	548.312	3.226	1	0		KGAFRM
COc1c(N2CCC[C@@H](N(C)CCN3C(=O)C(=O)c4ccccc43)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000064633811	562708941	/nfs/dbraw/zinc/70/89/41/562708941.db2.gz	SBOSKNYPGKQOHU-GOSISDBHSA-N	-1	0	562.598	3.312	1	0		KGAFRM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N1CCN(c3cccc(Cl)c3)CC1)c2=O	ZINC000064700488	562709026	/nfs/dbraw/zinc/70/90/26/562709026.db2.gz	KHNZWCZAOIPXTH-UHFFFAOYSA-N	-1	0	501.008	3.254	1	0		KGAFRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	ZINC000066104417	562711721	/nfs/dbraw/zinc/71/17/21/562711721.db2.gz	CTJIZFFMITUMOP-MTCPJELPSA-N	-1	0	557.024	3.232	1	0		KGAFRM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl	ZINC000066104418	562711722	/nfs/dbraw/zinc/71/17/22/562711722.db2.gz	CTJIZFFMITUMOP-SNXNUMJZSA-N	-1	0	557.024	3.232	1	0		KGAFRM
CC(C)n1cc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2cc4ccccn4n2)C3)C(=O)[O-])nn1	ZINC000066112049	562711968	/nfs/dbraw/zinc/71/19/68/562711968.db2.gz	UYUMTQVAGHXLJZ-NRFANRHFSA-N	-1	0	570.437	3.438	1	0		KGAFRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000066124027	562712627	/nfs/dbraw/zinc/71/26/27/562712627.db2.gz	UHYAVUSNKRTTSS-TUPCFRFDSA-N	-1	0	570.623	3.408	1	0		KGAFRM
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000066124029	562712630	/nfs/dbraw/zinc/71/26/30/562712630.db2.gz	UHYAVUSNKRTTSS-GFPOGIEWSA-N	-1	0	570.623	3.408	1	0		KGAFRM
CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCCC(=O)[O-])CN3c2ccccc2)cc1	ZINC000066252479	562714765	/nfs/dbraw/zinc/71/47/65/562714765.db2.gz	WLAALTFCWQDUMW-UHFFFAOYSA-N	-1	0	534.657	3.246	1	0		KGAFRM
O=C([O-])CN1CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2cc(Br)ccc21	ZINC000066258448	562714952	/nfs/dbraw/zinc/71/49/52/562714952.db2.gz	SXZFXOSPNFWXPG-UHFFFAOYSA-N	-1	0	508.163	3.404	1	0		KGAFRM
O=C([O-])Cn1nnc(-c2cncc(-c3cn(Cc4cc(Br)c(Br)c(Br)c4)nn3)c2)n1	ZINC000068200287	562715966	/nfs/dbraw/zinc/71/59/66/562715966.db2.gz	KFLRCBGJPSBTOG-UHFFFAOYSA-N	-1	0	599.041	3.414	1	0		KGAFRM
O=C([O-])Cn1nnc(-c2cc(-c3cn(Cc4cc(Br)c(Br)c(Br)c4)nn3)no2)n1	ZINC000068200293	562715961	/nfs/dbraw/zinc/71/59/61/562715961.db2.gz	LJQRHSWVZIQKSQ-UHFFFAOYSA-N	-1	0	589.002	3.007	1	0		KGAFRM
O=C([O-])[C@H](CCCCNC(=O)Nc1ccc(Cl)cc1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000069061768	562716330	/nfs/dbraw/zinc/71/63/30/562716330.db2.gz	OSWZLYIOQQVIIS-FQEVSTJZSA-N	-1	0	513.982	3.461	1	0		KGAFRM
COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc(O)c3c(=O)c2O[C@@H]2C[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000070455421	560047285	/nfs/dbraw/zinc/04/72/85/560047285.db2.gz	QPZQDNWYBDNGET-LBZHENGPSA-N	-1	0	512.555	3.258	1	0	biogenic,in-vitro	KGAFRM
COc1ccccc1CNC(=O)c1nc(-c2ccc(F)cc2)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C1CC1	ZINC000071281342	562716656	/nfs/dbraw/zinc/71/66/56/562716656.db2.gz	SOEKQCPJQWCKDC-FGZHOGPDSA-N	-1	0	525.577	3.482	1	0		KGAFRM
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)[O-])C(C)C	ZINC000071281564	562716720	/nfs/dbraw/zinc/71/67/20/562716720.db2.gz	XATLFNNWPYBONL-FTHTZSPESA-N	-1	0	613.733	3.208	1	0		KGAFRM
Cc1ccccc1NC(=S)NCCCC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-]	ZINC000071281661	562716714	/nfs/dbraw/zinc/71/67/14/562716714.db2.gz	QXKPARNSGQPTSO-NRFANRHFSA-N	-1	0	509.632	3.281	1	0		KGAFRM
Cc1cc(F)ccc1NC(=S)NCCCC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-]	ZINC000071294689	562717006	/nfs/dbraw/zinc/71/70/06/562717006.db2.gz	OOSDVLMJAMJLIQ-FQEVSTJZSA-N	-1	0	513.595	3.030	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)[O-]	ZINC000071295071	562717066	/nfs/dbraw/zinc/71/70/66/562717066.db2.gz	IEGIUOMUNYHCKN-GSLPQVRNSA-N	-1	0	528.627	3.458	1	0		KGAFRM
O=C([O-])[C@H](CCCCNC(=S)Nc1cccc(F)c1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1	ZINC000071295253	562717236	/nfs/dbraw/zinc/71/72/36/562717236.db2.gz	HAAAZQMNUSFQPH-FQEVSTJZSA-N	-1	0	513.595	3.111	1	0		KGAFRM
Cc1cc(F)ccc1NC(=S)NCCCC[C@H](NC(=O)CCCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-]	ZINC000071295267	562717223	/nfs/dbraw/zinc/71/72/23/562717223.db2.gz	GUSAVEFSAAAZIQ-NRFANRHFSA-N	-1	0	527.622	3.420	1	0		KGAFRM
COc1cccc(CNC(=O)c2nc(-c3ccc(F)cc3)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2C2CC2)c1	ZINC000071295644	562717288	/nfs/dbraw/zinc/71/72/88/562717288.db2.gz	XSSRLMPNWMRVQH-FGZHOGPDSA-N	-1	0	525.577	3.482	1	0		KGAFRM
O=C([O-])CCNC(=O)[C@@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O	ZINC000071315790	562717751	/nfs/dbraw/zinc/71/77/51/562717751.db2.gz	CAAAUGRIUXVOFU-QHCPKHFHSA-N	-1	0	541.604	3.143	1	0		KGAFRM
O=C([O-])CCNC(=O)[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O	ZINC000071315791	562717765	/nfs/dbraw/zinc/71/77/65/562717765.db2.gz	CAAAUGRIUXVOFU-HSZRJFAPSA-N	-1	0	541.604	3.143	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4nc(NC(C)C)nc(NC(C)C)n4)CC3)c(F)c21	ZINC000071317008	562718113	/nfs/dbraw/zinc/71/81/13/562718113.db2.gz	AIYYHQRTMKAAQX-UHFFFAOYSA-N	-1	0	530.580	3.150	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4nc(N5CCCCC5)nc(N5CCCCC5)n4)CC3)c(F)c21	ZINC000071319317	562718783	/nfs/dbraw/zinc/71/87/83/562718783.db2.gz	IUWJUMAXPJBPCH-UHFFFAOYSA-N	-1	0	582.656	3.490	1	0		KGAFRM
O=S(=O)([N-]CCO[C@@]12COc3c(F)ccc(F)c3[C@]1(S(=O)(=O)c1ccc(Cl)cc1)CC[C@@H](O)C2)C(F)(F)F	ZINC000071331514	562719300	/nfs/dbraw/zinc/71/93/00/562719300.db2.gz	ONWVCPFUJGPWFA-PUCZYUMASA-N	-1	0	605.987	3.419	1	0		KGAFRM
O=S(=O)([N-][C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@]2(O)C1)C(F)(F)F	ZINC000071331560	562719315	/nfs/dbraw/zinc/71/93/15/562719315.db2.gz	ORRLBLWCMKZGKR-ZUSMLRIVSA-N	-1	0	561.934	3.403	1	0		KGAFRM
COc1ccc(CCNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2oc3cc([O-])ccc3c(=O)c2C)cc1	ZINC000071341616	562720017	/nfs/dbraw/zinc/72/00/17/562720017.db2.gz	AWMRMUHOQDZIOT-DEOSSOPVSA-N	-1	0	528.561	3.085	1	0		KGAFRM
COc1cc2oc(C)c(C(=O)N3CCOCC3)c2cc1OCc1oc2cc(OC)c(OS(=O)(=O)[O-])cc2c1C(=O)N1CCOCC1	ZINC000072106040	562720891	/nfs/dbraw/zinc/72/08/91/562720891.db2.gz	CWZJHYDEBWWQCP-UHFFFAOYSA-N	-1	0	660.654	3.210	1	0		KGAFRM
Cc1cc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)[N-]C(=O)NC3=O)CC2)cc(Cl)n1	ZINC000072107010	562721156	/nfs/dbraw/zinc/72/11/56/562721156.db2.gz	YDTMRMDLJOKXKX-UHFFFAOYSA-N	-1	0	547.999	3.245	1	0		KGAFRM
O=C(CCc1ccccc1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1	ZINC000072107026	562721121	/nfs/dbraw/zinc/72/11/21/562721121.db2.gz	USAJQJNNFJUVKH-UHFFFAOYSA-N	-1	0	526.593	3.207	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)Nc1nc(NCc2ccccc2)nc(N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])[nH+]1	ZINC000072107334	562721232	/nfs/dbraw/zinc/72/12/32/562721232.db2.gz	QUSDXFBLDGERQV-GOTSBHOMSA-N	-1	0	544.568	3.111	1	0		KGAFRM
O=C(CSc1ccccc1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1	ZINC000072108192	562721428	/nfs/dbraw/zinc/72/14/28/562721428.db2.gz	SRDYHGFRYLKSRU-UHFFFAOYSA-N	-1	0	544.633	3.367	1	0		KGAFRM
O=C(Cc1ccc(Cl)cc1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1	ZINC000072108213	562721426	/nfs/dbraw/zinc/72/14/26/562721426.db2.gz	RKVSAYKAVLLLNQ-UHFFFAOYSA-N	-1	0	547.011	3.471	1	0		KGAFRM
O=C(c1ccc(C(F)(F)F)nc1)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1	ZINC000072108497	562721446	/nfs/dbraw/zinc/72/14/46/562721446.db2.gz	XTZTWPVOIONTJV-UHFFFAOYSA-N	-1	0	567.524	3.302	1	0		KGAFRM
Cc1ccc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)[N-]C(=O)NC3=O)CC2)cc1	ZINC000072108498	562721480	/nfs/dbraw/zinc/72/14/80/562721480.db2.gz	PIKKDCBNCJTTFT-UHFFFAOYSA-N	-1	0	512.566	3.197	1	0		KGAFRM
Cc1cc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)[N-]C(=O)NC3=O)CC2)c(C)o1	ZINC000072108686	562721475	/nfs/dbraw/zinc/72/14/75/562721475.db2.gz	XYTCENJSUIYBRC-UHFFFAOYSA-N	-1	0	516.554	3.098	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4nnc(-c5ccc(OC)c(OC)c5)o4)CC3)cc21	ZINC000072114669	562722781	/nfs/dbraw/zinc/72/27/81/562722781.db2.gz	XJZVPTZHFLUSAH-UHFFFAOYSA-N	-1	0	523.521	3.253	1	0		KGAFRM
CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H]([NH3+])CC(=O)[O-]	ZINC000072116322	562723083	/nfs/dbraw/zinc/72/30/83/562723083.db2.gz	KHVANTPSLDEPML-GMAHTHKFSA-N	-1	0	521.570	3.041	1	0		KGAFRM
[NH3+][C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1	ZINC000072118695	562723637	/nfs/dbraw/zinc/72/36/37/562723637.db2.gz	ZTNINNKVKQSNBL-GMAHTHKFSA-N	-1	0	553.999	3.475	1	0		KGAFRM
NS(=O)(=O)n1cc(C(=O)NC[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])c2ccccc21	ZINC000072123768	562724957	/nfs/dbraw/zinc/72/49/57/562724957.db2.gz	FGXOKBIHOOPRTG-QFIPXVFZSA-N	-1	0	692.965	3.465	1	0		KGAFRM
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](S(=O)(=O)[O-])[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2	ZINC000072128723	562726253	/nfs/dbraw/zinc/72/62/53/562726253.db2.gz	FHXCLEBKRCZXGO-OSIZZISXSA-N	-1	0	626.809	3.044	1	0		KGAFRM
C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](S(=O)(=O)[O-])[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2	ZINC000072128724	562726239	/nfs/dbraw/zinc/72/62/39/562726239.db2.gz	FHXCLEBKRCZXGO-FERONOROSA-N	-1	0	626.809	3.044	1	0		KGAFRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2c3ccccc3[nH]c2CN1	ZINC000072129861	562726519	/nfs/dbraw/zinc/72/65/19/562726519.db2.gz	WMORYDHXWLZSBQ-QUUJSONZSA-N	-1	0	646.748	3.194	1	0		KGAFRM
CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc32)CN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000072129862	562726521	/nfs/dbraw/zinc/72/65/21/562726521.db2.gz	DDHQRHDYJHNKJS-QUUJSONZSA-N	-1	0	648.764	3.344	1	0		KGAFRM
O=C([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nn1	ZINC000072131669	562726733	/nfs/dbraw/zinc/72/67/33/562726733.db2.gz	HDTFCUOJDFONMP-FQEVSTJZSA-N	-1	0	649.526	3.168	1	0		KGAFRM
O=C([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nn1	ZINC000072131670	562726736	/nfs/dbraw/zinc/72/67/36/562726736.db2.gz	HDTFCUOJDFONMP-HXUWFJFHSA-N	-1	0	649.526	3.168	1	0		KGAFRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)cn1	ZINC000072131671	562726732	/nfs/dbraw/zinc/72/67/32/562726732.db2.gz	ZAPLNVNDNWHGOV-FQEVSTJZSA-N	-1	0	649.526	3.168	1	0		KGAFRM
O=C([O-])c1cnc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)cn1	ZINC000072131672	562726749	/nfs/dbraw/zinc/72/67/49/562726749.db2.gz	ZAPLNVNDNWHGOV-HXUWFJFHSA-N	-1	0	649.526	3.168	1	0		KGAFRM
O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)c(N3CCN(c4nc(N5CCOCC5)nc(N5CCOCC5)n4)CC3)c(F)cc2c1=O	ZINC000072131682	562726746	/nfs/dbraw/zinc/72/67/46/562726746.db2.gz	DKAJWLIPXUDMKM-UHFFFAOYSA-N	-1	0	716.668	3.230	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](C(=O)Cc1ccccc1)[C@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1	ZINC000072133447	562727042	/nfs/dbraw/zinc/72/70/42/562727042.db2.gz	WVFVYHKXJBDHSE-ZFIQZZOESA-N	-1	0	668.832	3.003	1	0		KGAFRM
COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c([N-]S(=O)(=O)c4ccc(C)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1	ZINC000072134232	562727290	/nfs/dbraw/zinc/72/72/90/562727290.db2.gz	SMQGERICWVQOAC-WENCSYSZSA-N	-1	0	631.773	3.345	1	0		KGAFRM
COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)cc1	ZINC000072136074	562727721	/nfs/dbraw/zinc/72/77/21/562727721.db2.gz	LPGYQMOCGVTLEG-GGJMMHKRSA-N	-1	0	647.772	3.045	1	0		KGAFRM
COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc([O-])cc4o3)cc2OC)ccc1O	ZINC000072173476	562730995	/nfs/dbraw/zinc/73/09/95/562730995.db2.gz	WXNJNHFYIWEHIL-AZGAKELHSA-N	-1	0	526.494	3.076	1	0	in-vitro	KGAFRM
CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N(C(=O)[C@H](C)[NH3+])[C@H]1Nc1ccccc12	ZINC000072173496	562731003	/nfs/dbraw/zinc/73/10/03/562731003.db2.gz	XYQMZTSBALNSFP-JTDSMBMQSA-N	-1	0	540.661	3.141	1	0		KGAFRM
COC(=O)CSc1nnc(Cc2c3c(sc2NCCC(=O)[O-])CCCC3)n1NC(=O)c1ccccc1	ZINC000072175676	562731369	/nfs/dbraw/zinc/73/13/69/562731369.db2.gz	FDGPWUHPMLUCBC-UHFFFAOYSA-N	-1	0	529.644	3.345	1	0		KGAFRM
Nc1cc(Cn2c3ccc(C(F)(F)F)cc3c(-n3c(=O)[nH]c4cscc4c3=O)c2C(=O)[O-])ccn1	ZINC000072180461	562732511	/nfs/dbraw/zinc/73/25/11/562732511.db2.gz	DKKCMDSCGHLOLY-UHFFFAOYSA-N	-1	0	501.446	3.438	1	0	in-vitro	KGAFRM
O=C([O-])c1c(-n2c(=O)[nH]c3nccnc3c2=O)c2cc(C(F)(F)F)ccc2n1Cc1cc(F)ccc1F	ZINC000072180929	562732600	/nfs/dbraw/zinc/73/26/00/562732600.db2.gz	ZIMXGDKKVKTNTL-UHFFFAOYSA-N	-1	0	517.370	3.467	1	0		KGAFRM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCCS(=O)(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000072317902	562733227	/nfs/dbraw/zinc/73/32/27/562733227.db2.gz	ZVNBBXBYHWBYMC-ILBGXUMGSA-N	-1	0	538.688	3.118	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)cc21	ZINC000073138829	562733416	/nfs/dbraw/zinc/73/34/16/562733416.db2.gz	LZQBNLPENKHGSM-UHFFFAOYSA-N	-1	0	501.580	3.295	1	0		KGAFRM
C[C@H](CC(=O)C[C@H](C)C(=O)[O-])[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O	ZINC000073163231	562734208	/nfs/dbraw/zinc/73/42/08/562734208.db2.gz	BTYTWXWAFWKSTA-UNUQZBBJSA-N	-1	0	530.658	3.311	1	0		KGAFRM
CS(=O)(=O)N1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CNC(=O)c3ccc(Cl)s3)sc2C1	ZINC000073167513	562734589	/nfs/dbraw/zinc/73/45/89/562734589.db2.gz	AHLIXENKXIAXIP-UHFFFAOYSA-N	-1	0	555.059	3.056	1	0		KGAFRM
CCOC(=O)[C@](NC(=O)c1ccccc1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1)C(F)(F)F	ZINC000073351239	562738260	/nfs/dbraw/zinc/73/82/60/562738260.db2.gz	AOCZIGJIXLUOCB-MHZLTWQESA-N	-1	0	592.546	3.232	1	0		KGAFRM
CCOC(=O)[C@](NC(=O)CC(C)C)(Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)C(F)(F)F	ZINC000073390850	562738632	/nfs/dbraw/zinc/73/86/32/562738632.db2.gz	LUKRHXWOIHNNBT-OAQYLSRUSA-N	-1	0	531.557	3.290	1	0		KGAFRM
O=C([O-])Cn1nnc(-c2cnc(OCCCOc3cc(OC(F)(F)F)ccc3Br)s2)n1	ZINC000082156965	562740818	/nfs/dbraw/zinc/74/08/18/562740818.db2.gz	BOINOOJVPIKLSZ-UHFFFAOYSA-N	-1	0	524.275	3.390	1	0		KGAFRM
Nc1cc(Cn2c3ccc(Cl)cc3c(-c3ccc[nH]c3=O)c2C(=O)[N-]S(=O)(=O)c2ccc(O)cc2)ccn1	ZINC000082158126	562741054	/nfs/dbraw/zinc/74/10/54/562741054.db2.gz	RSPLDWKEGKMMEZ-UHFFFAOYSA-N	-1	0	549.996	3.500	1	0		KGAFRM
Cc1nn(C2CCS(=O)(=O)CC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1C(=O)N[C@@H](C)C(C)(C)C	ZINC000082158167	562741104	/nfs/dbraw/zinc/74/11/04/562741104.db2.gz	ZCWSQONNVIUDNV-KRWDZBQOSA-N	-1	0	510.682	3.215	1	0		KGAFRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O	ZINC000084154173	291791501	/nfs/dbraw/zinc/79/15/01/291791501.db2.gz	RIFJXBJHRYLRKR-AVYHRGBASA-N	-1	0	520.707	3.120	1	0	biogenic,in-vitro	KGAFRM
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)CC(=O)[O-]	ZINC000084403301	562742960	/nfs/dbraw/zinc/74/29/60/562742960.db2.gz	MGTZNGICWXYDPR-WDJPJFJCSA-N	-1	0	527.666	3.175	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)CC(=O)[O-]	ZINC000084403302	562743003	/nfs/dbraw/zinc/74/30/03/562743003.db2.gz	MGTZNGICWXYDPR-VEXUSMLFSA-N	-1	0	527.666	3.175	1	0		KGAFRM
COc1cc(Cc2cnc(Nc3nc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)nc2N)cc2c1OCCN2	ZINC000084602129	562743979	/nfs/dbraw/zinc/74/39/79/562743979.db2.gz	WZQCANAIDLCZOQ-UHFFFAOYSA-N	-1	0	533.520	3.088	1	0		KGAFRM
COc1cc(Cc2cnc(N)nc2Nc2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)cc2c1OCCN2	ZINC000084602132	562744002	/nfs/dbraw/zinc/74/40/02/562744002.db2.gz	JMZALXJGKXPOID-UHFFFAOYSA-N	-1	0	533.520	3.088	1	0		KGAFRM
COC(=O)C(F)(F)[N-]c1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC	ZINC000084615415	562744487	/nfs/dbraw/zinc/74/44/87/562744487.db2.gz	JNDKKGXIAUYVAO-CMDGGOBGSA-N	-1	0	501.504	3.484	1	0		KGAFRM
COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)CO)c1	ZINC000084617856	562745034	/nfs/dbraw/zinc/74/50/34/562745034.db2.gz	BVOPWMBIOVEEKK-UHFFFAOYSA-N	-1	0	521.020	3.217	1	0		KGAFRM
C[C@@H]1O[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](O)[C@H](OC(=O)N2CCCC2)[C@H]1OC(=O)N1CCCC1	ZINC000084619072	562745176	/nfs/dbraw/zinc/74/51/76/562745176.db2.gz	ZPLPCCUHBNARMU-APXYOUHJSA-N	-1	0	626.615	3.263	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@H](C(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1	ZINC000084619974	562745379	/nfs/dbraw/zinc/74/53/79/562745379.db2.gz	ZZEDQWXGHNPZLK-BDYUSTAISA-N	-1	0	650.777	3.097	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@@H](C(=O)N(C)C)C3)cc(-c3ccccc3)n2)CC1	ZINC000084619976	562745380	/nfs/dbraw/zinc/74/53/80/562745380.db2.gz	ZZEDQWXGHNPZLK-VPUSJEBWSA-N	-1	0	650.777	3.097	1	0		KGAFRM
CCCNC(=O)O[C@H]1[C@@H](O)[C@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)O[C@@H](C)[C@@H]1OC(=O)NCCC	ZINC000084632331	562745550	/nfs/dbraw/zinc/74/55/50/562745550.db2.gz	FFBNBUQCPQARMQ-QHOMFEBYSA-N	-1	0	602.593	3.071	1	0		KGAFRM
Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3c[n-]cc3S(=O)(=O)c3ccc(C)cc3)s2)cc1	ZINC000084654005	562747103	/nfs/dbraw/zinc/74/71/03/562747103.db2.gz	ZMBONYMNXMRAHP-UHFFFAOYSA-N	-1	0	566.708	3.232	1	0		KGAFRM
O=C([O-])c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1	ZINC000084669773	562748069	/nfs/dbraw/zinc/74/80/69/562748069.db2.gz	RFUQWTUPGXAUIY-JBOQNHBVSA-N	-1	0	661.675	3.077	1	0		KGAFRM
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)[N-]c3ncccc3[C@@H]3CCCN3C)ccc1OCC)[nH]c2=O	ZINC000084670552	562748344	/nfs/dbraw/zinc/74/83/44/562748344.db2.gz	NJKIWCUKXXHZFR-NRFANRHFSA-N	-1	0	551.673	3.637	1	0		KGAFRM
CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)[N-]c3ncccc3[C@H]3CCCN3C)ccc1OCC)[nH]c2=O	ZINC000084670553	562748314	/nfs/dbraw/zinc/74/83/14/562748314.db2.gz	NJKIWCUKXXHZFR-OAQYLSRUSA-N	-1	0	551.673	3.637	1	0		KGAFRM
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)CCCC[C@H]2CO)c2cccc(OCC(=O)[O-])c2)cc1OC	ZINC000084706473	562749970	/nfs/dbraw/zinc/74/99/70/562749970.db2.gz	BMHHSAHMWBFZQC-XHVASCMLSA-N	-1	0	641.714	3.248	1	0		KGAFRM
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccncn2)c2cccc(OCC(=O)[O-])c2)cc1OC	ZINC000084710504	562750501	/nfs/dbraw/zinc/75/05/01/562750501.db2.gz	PFMLCVXNUAYRKJ-BJKOFHAPSA-N	-1	0	599.662	3.418	1	0		KGAFRM
O=S(=O)(/C=C/S(=O)(=O)c1ccc(Cl)cc1)Cc1nnc(CS(=O)(=O)[N-]c2ccc(Cl)cc2)o1	ZINC000084727865	562751409	/nfs/dbraw/zinc/75/14/09/562751409.db2.gz	QXFXTKMNFLTHHE-MDZDMXLPSA-N	-1	0	552.439	3.178	1	0		KGAFRM
O=S(=O)(Cc1nnc(CS(=O)(=O)c2cn[n-]c2S(=O)(=O)c2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1	ZINC000084729177	562751499	/nfs/dbraw/zinc/75/14/99/562751499.db2.gz	SCUPHFDHMHNPJL-UHFFFAOYSA-N	-1	0	608.532	3.317	1	0		KGAFRM
[NH3+][C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12	ZINC000084758462	562752657	/nfs/dbraw/zinc/75/26/57/562752657.db2.gz	UOIVVWKUAQOMFA-HOFKKMOUSA-N	-1	0	597.628	3.437	1	0		KGAFRM
CCO[P@](=O)([O-])c1ccc(-c2nc3nc(NC)[nH]c(=O)c3n2CCOc2ccc(Cl)cc2)cc1	ZINC000084758611	562752693	/nfs/dbraw/zinc/75/26/93/562752693.db2.gz	RVFCWIRYYIYVSJ-UHFFFAOYSA-N	-1	0	503.883	3.408	1	0		KGAFRM
COc1ccc2c(c1OC)O[C@H]1c3c4cc5c(c3O[C@H](Cc3cccc(c3)Cc3ccc(O)cc3-4)[C@@H]21)NC[C@@]1(O5)O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000085488545	565124408	/nfs/dbraw/zinc/12/44/08/565124408.db2.gz	ORKWDYYCDUGSFP-LYOYBXKQSA-N	-1	0	697.693	3.268	1	0	biogenic,in-vitro	KGAFRM
COc1cc(C2(CO)CCCC2)c2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccccc3)OC[C@@H]21	ZINC000085488577	565124468	/nfs/dbraw/zinc/12/44/68/565124468.db2.gz	IZQJINNLBRLCIJ-IIAMHUTHSA-N	-1	0	650.677	3.056	1	0	biogenic,in-vitro	KGAFRM
COc1cc([C@H](CO)CC(C)C)c2c(c1OC)O[C@H]1c3c(cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)cc3-c3ccccc3)OC[C@@H]21	ZINC000085488605	291788205	/nfs/dbraw/zinc/78/82/05/291788205.db2.gz	ROKOWDSWTQBKDO-QBUAKVFISA-N	-1	0	652.693	3.374	1	0	biogenic,in-vitro	KGAFRM
CC(C)C[C@H](O)[C@@]1(O)[C@@H](O)[C@H](COC(=O)CC(=O)[O-])O[C@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H]1OCCc1ccccc1	ZINC000085504373	291778983	/nfs/dbraw/zinc/77/89/83/291778983.db2.gz	QQEOPSGSPDSSIV-LUSDSJAFSA-N	-1	0	692.714	3.414	1	0	biogenic,in-vitro	KGAFRM
CC(C)CCO[C@@H]1[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)O[C@@H](COC(=O)CC(=O)[O-])[C@H](O)[C@]1(O)[C@H](O)CC(C)C	ZINC000085504451	291778693	/nfs/dbraw/zinc/77/86/93/291778693.db2.gz	OJQABNNCVWXXLT-MTAKFGEYSA-N	-1	0	658.697	3.218	1	0	biogenic,in-vitro	KGAFRM
[NH3+][C@@H](CCC(=O)N[C@@H](CS[C@@]12C=C[C@]3(CC(Cc4ccncc4)=C[C@H]4C(=O)OC1=C43)CCCCCC21CCCC1)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-]	ZINC000085507524	291794630	/nfs/dbraw/zinc/79/46/30/291794630.db2.gz	VQWMGESNTDRWLJ-PPZORZTISA-N	-1	0	722.861	3.130	1	0	biogenic,in-vitro	KGAFRM
[NH3+][C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](C=C(Cc4ccncc4)C[C@@H]3CC3CCC(CC3)C13CCCC3)C(=O)O2)C(=O)N[C@@H](O)C(=O)[O-])C(=O)[O-]	ZINC000085507526	291794629	/nfs/dbraw/zinc/79/46/29/291794629.db2.gz	RAJCFPQPXUTUHI-NVHHASCMSA-N	-1	0	724.877	3.066	1	0	biogenic,in-vitro	KGAFRM
CCC1([C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@@H](O)C(=O)[O-])C2=C3[C@@H](C=C(Cc4ccncc4)CC34CCCC4)C(=O)O2)CCCC1	ZINC000085507588	291779821	/nfs/dbraw/zinc/77/98/21/291779821.db2.gz	KRDDQHZTYSKLAL-WOORMUNHSA-N	-1	0	712.866	3.210	1	0	biogenic,in-vitro	KGAFRM
CCC1([C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C2=C3CCC(Cc4ccccc4)=C[C@H]3C(=O)O2)CCCC1	ZINC000085507690	565131834	/nfs/dbraw/zinc/13/18/34/565131834.db2.gz	BVSFCLOATBYIHO-SGDZTBBFSA-N	-1	0	641.787	3.326	1	0	biogenic,in-vitro	KGAFRM
CC(=O)c1c(C)c(O)c2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@H]6COC[C@H]7CCC[C@@H]5[C@@H]76)CO4)[C@H](O)[C@H]3O)c2c1O	ZINC000085511162	291778392	/nfs/dbraw/zinc/77/83/92/291778392.db2.gz	PHIHYOXMIRSGQB-SWPYLGMESA-N	-1	0	678.731	3.373	1	0	biogenic,in-vitro	KGAFRM
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCCO)COCC[C@H]6[C@H]5C)CO4)[C@H](O)[C@H]3O)c2c1O	ZINC000085511166	291778401	/nfs/dbraw/zinc/77/84/01/291778401.db2.gz	GZIMMDUTHKDGCH-XAVOGQLESA-N	-1	0	694.774	3.420	1	0	biogenic,in-vitro	KGAFRM
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCO)COCC[C@H]6[C@H]5C)CO4)[C@H](O)[C@H]3O)c2c1O	ZINC000085511177	565134520	/nfs/dbraw/zinc/13/45/20/565134520.db2.gz	REKDQMQQTXTTJJ-HJYALSAMSA-N	-1	0	680.747	3.029	1	0	biogenic,in-vitro	KGAFRM
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@H]6COCC[C@H]6[C@@H]5C)CO4)[C@H](O)[C@H]3O)c2c1O	ZINC000085511332	291778608	/nfs/dbraw/zinc/77/86/08/291778608.db2.gz	ZEYVAITXDCGYQB-BDXPWDEVSA-N	-1	0	636.694	3.277	1	0	biogenic,in-vitro	KGAFRM
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CC[C@@H](C)[C@H]4CCOCC45CCCC5)[C@H](O)[C@H]3O)c2c1O	ZINC000085511469	565134536	/nfs/dbraw/zinc/13/45/36/565134536.db2.gz	KYRKNGNCCZPHDJ-PUWPLMDQSA-N	-1	0	616.704	3.317	1	0	biogenic,in-vitro	KGAFRM
Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1	ZINC000085511587	291793361	/nfs/dbraw/zinc/79/33/61/291793361.db2.gz	ARFHEPSANFRZME-YAVPQMRFSA-N	-1	0	616.663	3.331	1	0	biogenic,in-vitro	KGAFRM
CC(=O)c1c(C)cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@]5(O)CCC[C@H]5[C@H](CCC(C)C)C[C@]4(O)[C@H](O)[C@H]3O)c2c1O	ZINC000085511609	291778397	/nfs/dbraw/zinc/77/83/97/291778397.db2.gz	QEWKRAYNTLUYEO-PKWWJAEXSA-N	-1	0	572.651	3.299	1	0	biogenic,in-vitro	KGAFRM
CCCCC[C@@H]1C[C@]2(O)[C@H](O)[C@@H](O)[C@H](Oc3cc(C(=O)[O-])cc4cc(C)c(C(C)=O)c(O)c43)O[C@@H]2[C@]2(O)CCC[C@@H]12	ZINC000085511684	291780330	/nfs/dbraw/zinc/78/03/30/291780330.db2.gz	DARRKIXYSHSMBZ-PKWWJAEXSA-N	-1	0	572.651	3.443	1	0	biogenic,in-vitro	KGAFRM
Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@@H]4[C@@]5(O)CCC[C@H]5CC[C@]4(O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1	ZINC000085511772	291793691	/nfs/dbraw/zinc/79/36/91/291793691.db2.gz	YHWUGQWUQASDQB-WLDIFPCFSA-N	-1	0	592.641	3.249	1	0	biogenic,in-vitro	KGAFRM
CCCCC[C@@H]1CCC[C@@]1(O)[C@H]1O[C@@H](Oc2cc(C(=O)[O-])cc3cc(C)c(C(C)=O)c(O)c32)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000085511813	291780324	/nfs/dbraw/zinc/78/03/24/291780324.db2.gz	FQGLFEBVICMQDN-PBTJEPINSA-N	-1	0	546.613	3.053	1	0	biogenic,in-vitro	KGAFRM
CCCCC[C@@H]1CCCC[C@]1(O)[C@H]1O[C@@H](Oc2cc(C(=O)[O-])cc3cc(C)c(C(C)=O)c(O)c32)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000085511816	291780318	/nfs/dbraw/zinc/78/03/18/291780318.db2.gz	UIADUSSFKKAAOF-HPCDRJQNSA-N	-1	0	560.640	3.443	1	0	biogenic,in-vitro	KGAFRM
Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](CO)[C@](O)(CCC(C)C)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1	ZINC000085511821	291793682	/nfs/dbraw/zinc/79/36/82/291793682.db2.gz	HTYRMFODMFPRPH-UGNGBSIRSA-N	-1	0	582.646	3.353	1	0	biogenic,in-vitro	KGAFRM
Cc1cc2cc(C(=O)[O-])cc(O[C@@H]3O[C@H](C4(O)CCCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1	ZINC000085511825	560073623	/nfs/dbraw/zinc/07/36/23/560073623.db2.gz	SANWIHQXRNVDBM-SQQOACJHSA-N	-1	0	580.630	3.249	1	0	biogenic,in-vitro	KGAFRM
CC1(C)CC[C@]2(C(=O)[O-])[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@H]2C1	ZINC000085531576	291779452	/nfs/dbraw/zinc/77/94/52/291779452.db2.gz	APTNOIWSCDBIAS-ZDYZHAHESA-N	-1	0	520.707	3.120	1	0	biogenic,in-vitro	KGAFRM
CC(=O)O[C@@H]1C[C@]23C4=CC[C@@]5(C)[C@H](C(=O)[O-])[C@@](C)([C@H](C)C(C)C)CC[C@]5(C)[C@H]4CC[C@H]2[C@@](C)(CO[C@@H]3O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000087520411	562753481	/nfs/dbraw/zinc/75/34/81/562753481.db2.gz	IAOFPTKYKOAKGZ-PZOCIUISSA-N	-1	0	708.886	3.010	1	0	in-vitro	KGAFRM
CC(=O)O[C@@H]1C[C@]23C4=CC[C@@]5(C)[C@H](C(=O)[O-])[C@@](C)([C@H](C)C(C)C)CC[C@]5(C)[C@H]4CC[C@H]2[C@@](C)(CO[C@H]3O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000087520412	562753482	/nfs/dbraw/zinc/75/34/82/562753482.db2.gz	IAOFPTKYKOAKGZ-GHUTVYTFSA-N	-1	0	708.886	3.010	1	0	in-vitro	KGAFRM
CC(=O)O[C@H]1[C@@H]2[C@@H](O[C@H]3CC=C(C(=O)[O-])C(=O)N3C)[C@]3(OC2(C)C)[C@@](C)(O)CCC[C@@]3(C)[C@H]1OCc1ccccc1	ZINC000095485996	560061802	/nfs/dbraw/zinc/06/18/02/560061802.db2.gz	QSXDUAFEQVYDGG-ZDVWHAJLSA-N	-1	0	571.667	3.207	1	0	biogenic,in-vitro	KGAFRM
O=C([O-])C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)N12)C(=O)COc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1	ZINC000095536552	562753978	/nfs/dbraw/zinc/75/39/78/562753978.db2.gz	PTKILXLPZFHQLS-HJOGWXRNSA-N	-1	0	749.099	3.275	1	0		KGAFRM
Cc1cn([C@H]2C=C[C@@H](CO[P@](=O)([O-])OCc3cccc(-c4cccc5c4O[P@@](=O)(OC[C@@H]4C=C[C@H](n6cc(C)c(=O)[nH]c6=O)O4)OC5)c3O)O2)c(=O)[nH]c1=O	ZINC000095539407	562755034	/nfs/dbraw/zinc/75/50/34/562755034.db2.gz	VIBKWVOFDJOAKW-MQFSNDJISA-N	-1	0	800.607	3.351	1	0		KGAFRM
Cc1cn([C@H]2C=C[C@@H](CO[P@](=O)([O-])OCc3cccc(-c4cccc5c4O[P@](=O)(OC[C@@H]4C=C[C@H](n6cc(C)c(=O)[nH]c6=O)O4)OC5)c3O)O2)c(=O)[nH]c1=O	ZINC000095539408	562755032	/nfs/dbraw/zinc/75/50/32/562755032.db2.gz	VIBKWVOFDJOAKW-NYYNXITLSA-N	-1	0	800.607	3.351	1	0		KGAFRM
CNC(=O)c1c2cc(C3CC3)c(N(CCO[P@](=O)([O-])OC[C@H]3O[C@@H](n4cnc(C(N)=O)n4)[C@@H]4OC(C)(C)O[C@H]34)S(C)(=O)=O)cc2oc1-c1ccc(F)cc1	ZINC000095540240	562755569	/nfs/dbraw/zinc/75/55/69/562755569.db2.gz	JFCCBRCDCPUAAT-SLXDEKLDSA-N	-1	0	792.736	3.184	1	0		KGAFRM
CCC[C@H](NC(=O)[C@H](CC1SCCCS1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000095543536	562757350	/nfs/dbraw/zinc/75/73/50/562757350.db2.gz	CIMKRSGIQKYMHI-ATACATFBSA-N	-1	0	763.980	3.301	1	0		KGAFRM
CCC[C@@H](NC(=O)[C@H](CC1SCCCS1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000095543537	562757303	/nfs/dbraw/zinc/75/73/03/562757303.db2.gz	CIMKRSGIQKYMHI-UUHGVMMKSA-N	-1	0	763.980	3.301	1	0		KGAFRM
CCC[C@H](NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000095544136	562757657	/nfs/dbraw/zinc/75/76/57/562757657.db2.gz	YQRXHHYPBWDIBF-VOIOCNMVSA-N	-1	0	759.901	3.260	1	0		KGAFRM
CCC[C@@H](NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000095544137	562757640	/nfs/dbraw/zinc/75/76/40/562757640.db2.gz	YQRXHHYPBWDIBF-ZWDPFIGPSA-N	-1	0	759.901	3.260	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095545514	562758110	/nfs/dbraw/zinc/75/81/10/562758110.db2.gz	QCUQUJQYIJOFEM-CUPIEXAXSA-N	-1	0	812.925	3.253	1	0		KGAFRM
CCNS(=O)(=O)[N-]c1nc(-c2ncccn2)nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC	ZINC000095552815	562760736	/nfs/dbraw/zinc/76/07/36/562760736.db2.gz	MIPNODJPKTVQHX-UHFFFAOYSA-N	-1	0	619.458	3.011	1	0		KGAFRM
CCCNS(=O)(=O)[N-]c1nc(-c2ncccn2)nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC	ZINC000095557185	562761991	/nfs/dbraw/zinc/76/19/91/562761991.db2.gz	VUAQGALNRBYHNG-UHFFFAOYSA-N	-1	0	633.485	3.401	1	0		KGAFRM
Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)c2ccccc2n1CC(=O)[N-]S(C)(=O)=O	ZINC000095559992	562762946	/nfs/dbraw/zinc/76/29/46/562762946.db2.gz	WLQMNYYNARACKO-UHFFFAOYSA-N	-1	0	500.580	3.451	1	0		KGAFRM
C/C(=C\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)C(=O)[O-]	ZINC000095563663	562764023	/nfs/dbraw/zinc/76/40/23/562764023.db2.gz	FKJPUWHTFMQAOG-KXSJZLMNSA-N	-1	0	530.658	3.022	1	0		KGAFRM
COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c([N-]S(=O)(=O)c4ccccc4)cccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1	ZINC000095566369	562764985	/nfs/dbraw/zinc/76/49/85/562764985.db2.gz	OSOZDPAMGFFICY-IZVMNLJQSA-N	-1	0	617.746	3.037	1	0		KGAFRM
Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1	ZINC000095567425	562765827	/nfs/dbraw/zinc/76/58/27/562765827.db2.gz	PUEMRAQLFHZGBR-IPVFLDMMSA-N	-1	0	621.803	3.327	1	0		KGAFRM
CO[C@@H]1CN(C)C(=O)c2cc([N-]S(=O)(=O)CC(F)(F)F)ccc2OC[C@@H](C)N(C(=O)c2ccc3c(c2)OCO3)C[C@@H]1C	ZINC000095570025	562767878	/nfs/dbraw/zinc/76/78/78/562767878.db2.gz	BXISBIXFZYFBIP-OBWXTZQISA-N	-1	0	615.627	3.366	1	0		KGAFRM
CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1	ZINC000095577615	562771050	/nfs/dbraw/zinc/77/10/50/562771050.db2.gz	LMZYNSBAUOTKJP-UHFFFAOYSA-N	-1	0	513.458	3.048	1	0		KGAFRM
C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccc(OCC(=O)[O-])cc23)C1	ZINC000095577673	562771081	/nfs/dbraw/zinc/77/10/81/562771081.db2.gz	YRTXXGBYCJOVKB-UQBPGWFLSA-N	-1	0	563.945	3.475	1	0		KGAFRM
CCCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1	ZINC000095579780	562771645	/nfs/dbraw/zinc/77/16/45/562771645.db2.gz	CWVNZROHIPHKBQ-UHFFFAOYSA-N	-1	0	527.485	3.438	1	0		KGAFRM
CS(=O)(=O)Nc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2[N-]S(=O)(=O)c2ccccc2-3)cc1	ZINC000095581626	562772298	/nfs/dbraw/zinc/77/22/98/562772298.db2.gz	VFRLEOXQHZBKQM-UHFFFAOYSA-N	-1	0	509.569	3.277	1	0		KGAFRM
COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O	ZINC000095581697	562772262	/nfs/dbraw/zinc/77/22/62/562772262.db2.gz	NLTYHOPSDHTAQS-ISCRSJHHSA-N	-1	0	610.556	3.184	1	0		KGAFRM
CCC[C@@H]1O[C@@H](Oc2c(=O)c3c(O)cc([O-])cc3oc2-c2ccc(O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000095582838	562772720	/nfs/dbraw/zinc/77/27/20/562772720.db2.gz	HDCQFGSWWKAJHS-UDKWMEDXSA-N	-1	0	586.546	3.276	1	0		KGAFRM
COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(OC)cc5)c-4nc(CCCC(=O)[O-])nc32)cc1	ZINC000095583055	562772788	/nfs/dbraw/zinc/77/27/88/562772788.db2.gz	LDKFGXSUVAJCJX-UHFFFAOYSA-N	-1	0	514.542	3.009	1	0		KGAFRM
C[C@H](NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O	ZINC000095583839	562773047	/nfs/dbraw/zinc/77/30/47/562773047.db2.gz	BDRNGYCAYCHQNC-FYSMJZIKSA-N	-1	0	565.519	3.136	1	0		KGAFRM
COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000095584021	562773124	/nfs/dbraw/zinc/77/31/24/562773124.db2.gz	ITVOIHJLUTVPKC-DEOSSOPVSA-N	-1	0	566.503	3.435	1	0		KGAFRM
Cn1nccc1-c1cc(Br)ccc1Oc1ccc(S(=O)(=O)[N-]c2ncns2)cc1C(N)=O	ZINC000095584217	562773196	/nfs/dbraw/zinc/77/31/96/562773196.db2.gz	RMJJIFSZYADZPZ-UHFFFAOYSA-N	-1	0	535.405	3.393	1	0		KGAFRM
COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)([O-])O2)NC(=O)[C@H](CCC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000095585082	562773468	/nfs/dbraw/zinc/77/34/68/562773468.db2.gz	CAPZYKCUIJNNQY-UIOOFZCWSA-N	-1	0	637.582	3.069	1	0		KGAFRM
COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)[C@@H]2COCCN2)c1	ZINC000095585505	562773618	/nfs/dbraw/zinc/77/36/18/562773618.db2.gz	BRKCAVQLAJCUTK-SFHVURJKSA-N	-1	0	576.100	3.214	1	0		KGAFRM
COc1ccc(Nc2nc(N3CC[C@H](C(=O)Nc4ccc(C(=O)[O-])cc4)C3)nc3scnc32)nc1OC	ZINC000095585577	562773642	/nfs/dbraw/zinc/77/36/42/562773642.db2.gz	WSQVDEWDIGBTHW-AWEZNQCLSA-N	-1	0	521.559	3.405	1	0		KGAFRM
COc1ccc(Nc2nc(N3CC[C@@H](C(=O)Nc4ccc(C(=O)[O-])cc4)C3)nc3scnc32)nc1OC	ZINC000095585578	562773656	/nfs/dbraw/zinc/77/36/56/562773656.db2.gz	WSQVDEWDIGBTHW-CQSZACIVSA-N	-1	0	521.559	3.405	1	0		KGAFRM
Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc([O-])c(Oc4cc(F)cc(Cl)c4)c3)C2)c(=O)[nH]c1=O	ZINC000095587280	562774244	/nfs/dbraw/zinc/77/42/44/562774244.db2.gz	QEKSOIKPWDSAHL-INIZCTEOSA-N	-1	0	509.943	3.161	1	0		KGAFRM
Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc([O-])c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O	ZINC000095587346	562774284	/nfs/dbraw/zinc/77/42/84/562774284.db2.gz	GLYVZMPKAAPUCS-INIZCTEOSA-N	-1	0	536.404	3.131	1	0		KGAFRM
Cc1cc(Oc2cc(S(=O)(=O)N3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2[O-])ccc1Cl	ZINC000095587716	562774431	/nfs/dbraw/zinc/77/44/31/562774431.db2.gz	OSZDWXJDHLZQLU-INIZCTEOSA-N	-1	0	505.980	3.331	1	0		KGAFRM
Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc([O-])c(Oc4cccc(C(F)(F)F)c4)c3)C2)c(=O)[nH]c1=O	ZINC000095589142	562774909	/nfs/dbraw/zinc/77/49/09/562774909.db2.gz	RJJLDSDLBNRLKQ-INIZCTEOSA-N	-1	0	525.505	3.388	1	0		KGAFRM
Cc1cn([C@H]2CCCN(S(=O)(=O)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O	ZINC000095589257	562774884	/nfs/dbraw/zinc/77/48/84/562774884.db2.gz	MKIYJEDSNQWWFD-INIZCTEOSA-N	-1	0	519.963	3.015	1	0		KGAFRM
Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2c(=O)n(C)c(=O)n(C)c2C(F)(F)F)cc1)C(=O)[O-]	ZINC000095590409	562775247	/nfs/dbraw/zinc/77/52/47/562775247.db2.gz	BZEBVNQBGHZGIZ-INIZCTEOSA-N	-1	0	523.895	3.157	1	0		KGAFRM
O=S(=O)(CC[C@@H]1OCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1cnn[n-]1	ZINC000095594158	562776399	/nfs/dbraw/zinc/77/63/99/562776399.db2.gz	KNZRWRDSESFSHQ-VPKVUBIPSA-N	-1	0	560.000	3.067	1	0		KGAFRM
COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(-c3ccccn3)c2)c(Cl)cc1NC(=O)CSc1ccc(C(=O)[O-])cn1	ZINC000095595141	562776633	/nfs/dbraw/zinc/77/66/33/562776633.db2.gz	ZUUMGDMAGNPFSY-KWINWIPXSA-N	-1	0	703.145	3.308	1	0		KGAFRM
COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(-c3ccc(C(=O)[O-])cn3)c2)c(Cl)cc1NC(=O)CSc1ccccn1	ZINC000095597101	562777179	/nfs/dbraw/zinc/77/71/79/562777179.db2.gz	PHCYPZQRXUMMPD-KWINWIPXSA-N	-1	0	703.145	3.308	1	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O	ZINC000095598786	562777572	/nfs/dbraw/zinc/77/75/72/562777572.db2.gz	GYFQKHFVLKZIIF-DFIYOIEZSA-N	-1	0	607.776	3.019	1	0		KGAFRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)O2	ZINC000095600542	562779044	/nfs/dbraw/zinc/77/90/44/562779044.db2.gz	NTUSSASAJLMJNB-BFIDETRKSA-N	-1	0	641.168	3.286	1	0		KGAFRM
CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)Oc2ccc(cc2)CCC(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000095606640	562782230	/nfs/dbraw/zinc/78/22/30/562782230.db2.gz	UTTMIGDMZIRTMX-SEXBWERRSA-N	-1	0	767.880	3.430	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCC(=O)[O-]	ZINC000095609571	562783842	/nfs/dbraw/zinc/78/38/42/562783842.db2.gz	AMIZGVJLOOQAEV-YINGVSPWSA-N	-1	0	768.974	3.393	1	0		KGAFRM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCC(=O)[O-]	ZINC000095609572	562783818	/nfs/dbraw/zinc/78/38/18/562783818.db2.gz	AMIZGVJLOOQAEV-JUZBSFEJSA-N	-1	0	768.974	3.393	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1cccs1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095609690	562783932	/nfs/dbraw/zinc/78/39/32/562783932.db2.gz	SPJCSYUKRLKAQT-DHYJGJBJSA-N	-1	0	829.977	3.322	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)NC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000095610554	562784484	/nfs/dbraw/zinc/78/44/84/562784484.db2.gz	OUGONPIBNDBFDE-CUPIEXAXSA-N	-1	0	818.973	3.063	1	0		KGAFRM
CCC[C@H](NC(=O)[C@@H]1Cc2cccc(c2)Oc2ccc(cc2)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C2CCCCC2)C(=O)N1)C(=O)C(=O)NCC(=O)[O-]	ZINC000095612632	562785713	/nfs/dbraw/zinc/78/57/13/562785713.db2.gz	NKFHEJVNMNHHHG-GKCWTWCASA-N	-1	0	749.862	3.076	1	0		KGAFRM
CCCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)c1	ZINC000095614704	562786821	/nfs/dbraw/zinc/78/68/21/562786821.db2.gz	HIUQSFGYYWNUPS-FCEKVYKBSA-N	-1	0	779.860	3.385	1	0		KGAFRM
CCCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)c1	ZINC000095614705	562786839	/nfs/dbraw/zinc/78/68/39/562786839.db2.gz	HIUQSFGYYWNUPS-PKTNWEFCSA-N	-1	0	779.860	3.385	1	0		KGAFRM
CCCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)c1	ZINC000095614706	562786834	/nfs/dbraw/zinc/78/68/34/562786834.db2.gz	HIUQSFGYYWNUPS-IARZGTGTSA-N	-1	0	779.860	3.385	1	0		KGAFRM
CCCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)c1	ZINC000095614707	562786823	/nfs/dbraw/zinc/78/68/23/562786823.db2.gz	HIUQSFGYYWNUPS-KCHLEUMXSA-N	-1	0	779.860	3.385	1	0		KGAFRM
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)c1cc(I)cc(C(=O)N2COC[C@@H]2c2ccccc2)n1	ZINC000095615793	562787522	/nfs/dbraw/zinc/78/75/22/562787522.db2.gz	FZSSGIILDGKZIA-OYFGVDPJSA-N	-1	0	744.550	3.378	1	0		KGAFRM
CO[C@H]1CN(C)C(=O)c2ccc([N-]S(=O)(=O)CC(F)(F)F)cc2OC[C@@H](C)N(Cc2nccs2)C[C@H]1C	ZINC000095680631	562788354	/nfs/dbraw/zinc/78/83/54/562788354.db2.gz	QRICJNQKSXKMBF-QINHECLXSA-N	-1	0	564.652	3.453	1	0		KGAFRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)c1ccc(CN2CCOCC2)cc1	ZINC000095872230	562790061	/nfs/dbraw/zinc/79/00/61/562790061.db2.gz	DRCZHGREKLUZAJ-KWXIBIRDSA-N	-1	0	519.642	3.266	1	0		KGAFRM
C[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@](C)(CO)[C@@H](O)[C@H](O)[C@H](O)[C@]43C)[C@H]2[C@]1(C)O	ZINC000095911570	291791497	/nfs/dbraw/zinc/79/14/97/291791497.db2.gz	URUKJKAHSHXWOF-MANQUXIOSA-N	-1	0	520.707	3.118	1	0	biogenic,in-vitro	KGAFRM
CO[C@@H]1[C@H]2C[C@@H]3C(C)(C)O[C@](C/C=C(/C)C(=O)[O-])(C2=O)[C@@]32Oc3c(C[C@@H](O)C(C)(C)O)c4c(c(O)c3C(=O)[C@@H]12)C=CC(C)(C)O4	ZINC000095911834	565180622	/nfs/dbraw/zinc/18/06/22/565180622.db2.gz	YACUINUOCLLMGT-LFNPWFTCSA-N	-1	0	626.699	3.383	1	0	biogenic,in-vitro	KGAFRM
CC(=O)O[C@H](CC(=O)[O-])[C@@]1(C)[C@H](C(C)(C)O)CC(=O)[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@@]321	ZINC000095913910	560056245	/nfs/dbraw/zinc/05/62/45/560056245.db2.gz	ZIKZPLSIAVHITA-HNABCYPOSA-N	-1	0	532.586	3.210	1	0	biogenic,in-vitro	KGAFRM
CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1F)c(=O)n(CCN1CCOCC1)c2=O	ZINC000096169968	562790928	/nfs/dbraw/zinc/79/09/28/562790928.db2.gz	WDPSSMZDCIMVDE-UHFFFAOYSA-N	-1	0	577.638	3.317	1	0		KGAFRM
CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc1)c(=O)n(CC1(O)CCOCC1)c2=O	ZINC000096169981	562790939	/nfs/dbraw/zinc/79/09/39/562790939.db2.gz	BKKFWGXZFDAGEO-UHFFFAOYSA-N	-1	0	560.632	3.387	1	0		KGAFRM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000096226251	562792787	/nfs/dbraw/zinc/79/27/87/562792787.db2.gz	BGEFPQTXZJNKSN-ZFOYNVMHSA-N	-1	0	607.756	3.426	1	0		KGAFRM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000096226252	562792770	/nfs/dbraw/zinc/79/27/70/562792770.db2.gz	BGEFPQTXZJNKSN-VXTAKYERSA-N	-1	0	607.756	3.426	1	0		KGAFRM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000096226253	562792763	/nfs/dbraw/zinc/79/27/63/562792763.db2.gz	BGEFPQTXZJNKSN-KKYWTPOSSA-N	-1	0	607.756	3.426	1	0		KGAFRM
Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000096226254	562792782	/nfs/dbraw/zinc/79/27/82/562792782.db2.gz	BGEFPQTXZJNKSN-GFBIMRMFSA-N	-1	0	607.756	3.426	1	0		KGAFRM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)C[P@@](=O)([O-])O)c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000096270846	562793389	/nfs/dbraw/zinc/79/33/89/562793389.db2.gz	OMLUYEROOPDNHV-JWQCQUIFSA-N	-1	0	538.603	3.294	1	0		KGAFRM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NCS(=O)(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000096270849	562793407	/nfs/dbraw/zinc/79/34/07/562793407.db2.gz	GHDJZKVROXOXFN-CLJLJLNGSA-N	-1	0	552.715	3.395	1	0		KGAFRM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)CCS(=O)(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000096270851	562793371	/nfs/dbraw/zinc/79/33/71/562793371.db2.gz	YIMGVDKXHVEIIO-CLJLJLNGSA-N	-1	0	552.715	3.395	1	0		KGAFRM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(C(=O)NCS(=O)(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000096270868	562793506	/nfs/dbraw/zinc/79/35/06/562793506.db2.gz	ZAUYJKJJVMIDDO-ISKFKSNPSA-N	-1	0	524.661	3.076	1	0		KGAFRM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)CS(=O)(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000096270869	562793455	/nfs/dbraw/zinc/79/34/55/562793455.db2.gz	YZNJXTBHSBTOBC-JWQCQUIFSA-N	-1	0	538.688	3.005	1	0		KGAFRM
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(=O)C[NH2+]C(CC(=O)[O-])CC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1	ZINC000096270876	562793467	/nfs/dbraw/zinc/79/34/67/562793467.db2.gz	GBEUTSGBUHICLW-LOYHVIPDSA-N	-1	0	603.738	3.024	1	0		KGAFRM
CCN(CC)c1ncc(N(C(C)C)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1	ZINC000096273509	562794515	/nfs/dbraw/zinc/79/45/15/562794515.db2.gz	SDRNIMLNYYTUKR-NRFANRHFSA-N	-1	0	562.693	3.200	1	0		KGAFRM
CCN(CC)c1ncc(N(CC)C(C)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1	ZINC000096273524	562794581	/nfs/dbraw/zinc/79/45/81/562794581.db2.gz	XUKXBXMAAGAYNG-NRFANRHFSA-N	-1	0	512.611	3.398	1	0		KGAFRM
CCN(CC)c1ncc(N(CC)C(=O)N2CCOCC2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])n1	ZINC000096273528	562794552	/nfs/dbraw/zinc/79/45/52/562794552.db2.gz	ZVKDMVSDTFKHRE-QHCPKHFHSA-N	-1	0	583.690	3.304	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCC(O)CC3)cc(-c3ccccc3)n2)CC1	ZINC000096903197	562797870	/nfs/dbraw/zinc/79/78/70/562797870.db2.gz	IHYZSXMYVWPMMC-SANMLTNESA-N	-1	0	609.724	3.144	1	0		KGAFRM
COC(=O)[C@@H]1C[C@H](OC(=O)CCCC(=O)[O-])C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C	ZINC000096906584	562798811	/nfs/dbraw/zinc/79/88/11/562798811.db2.gz	SKIZPFOCPADVDR-KRPMOIONSA-N	-1	0	504.532	3.235	1	0		KGAFRM
CCN(CC)c1ncc(N(C)S(=O)(=O)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])n1	ZINC000096907663	562799173	/nfs/dbraw/zinc/79/91/73/562799173.db2.gz	KHSZDWVTGUGZHH-QFIPXVFZSA-N	-1	0	588.662	3.455	1	0		KGAFRM
O=C([O-])Cn1ncc2c1ncnc2Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000096914187	562800763	/nfs/dbraw/zinc/80/07/63/562800763.db2.gz	AMNNEJSLJNRAOB-UHFFFAOYSA-N	-1	0	503.338	3.218	1	0		KGAFRM
CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(-c2ccccc2)c(Br)c(=O)[n-]1	ZINC000096916013	562801156	/nfs/dbraw/zinc/80/11/56/562801156.db2.gz	YHWLMQGTLBKBSG-UHFFFAOYSA-N	-1	0	533.448	3.201	1	0		KGAFRM
CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(F)(F)F)c(Br)c(=O)[n-]1	ZINC000096916015	562801164	/nfs/dbraw/zinc/80/11/64/562801164.db2.gz	BNVVNGDAZLXJFF-UHFFFAOYSA-N	-1	0	539.374	3.355	1	0		KGAFRM
CCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1	ZINC000096916019	562801177	/nfs/dbraw/zinc/80/11/77/562801177.db2.gz	NOFJASKGJYPFBW-UHFFFAOYSA-N	-1	0	500.415	3.133	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccc(NC(=S)NCCCN5CCOCC5)cc4F)CC3)cc21	ZINC000096921851	562801595	/nfs/dbraw/zinc/80/15/95/562801595.db2.gz	PHLRKXRSFPKSEM-UHFFFAOYSA-N	-1	0	614.719	3.333	1	0		KGAFRM
CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)N(C(=O)OCOC(=O)/C=C/C(=O)[O-])C4CC4)ccc3C)c2c1C	ZINC000096928069	562802754	/nfs/dbraw/zinc/80/27/54/562802754.db2.gz	FVKRQJLUOOBUCQ-MDZDMXLPSA-N	-1	0	578.582	3.112	1	0		KGAFRM
CCCN(C(=O)OCOC(=O)/C=C/C(=O)[O-])C(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C	ZINC000096928070	562802771	/nfs/dbraw/zinc/80/27/71/562802771.db2.gz	CLHCYLBFWYWESR-MDZDMXLPSA-N	-1	0	578.582	3.112	1	0		KGAFRM
COc1c(N2CCN(Cc3oc(CCl)cc(=O)c3O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000096930188	562803197	/nfs/dbraw/zinc/80/31/97/562803197.db2.gz	MPYXQUQKKJUBCI-CYBMUJFWSA-N	-1	0	547.967	3.291	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)Nc1c(=O)c(=O)c1N1CCCCC1	ZINC000100012013	562806088	/nfs/dbraw/zinc/80/60/88/562806088.db2.gz	ZSLLAAOZAJPOMZ-DDODVECFSA-N	-1	0	517.369	3.169	1	0		KGAFRM
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](CC(=O)[O-])C1=O)C2	ZINC000100044468	562806364	/nfs/dbraw/zinc/80/63/64/562806364.db2.gz	WNESVHIUEBKESY-WHNHDLKRSA-N	-1	0	542.698	3.341	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccc(NC3=CC[C@H](O)C[NH2+]3)c2)CC1)c1cnc2ccccc2c1	ZINC000100057640	562806477	/nfs/dbraw/zinc/80/64/77/562806477.db2.gz	KLOOZQSECCCWDS-AZGAKELHSA-N	-1	0	543.624	3.027	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)C1CCN(C(=O)c2cccc(NC3=CC[C@H](O)C[NH2+]3)c2)CC1)c1cnc2ccccc2c1	ZINC000100057643	562806461	/nfs/dbraw/zinc/80/64/61/562806461.db2.gz	KLOOZQSECCCWDS-AHWVRZQESA-N	-1	0	543.624	3.027	1	0		KGAFRM
O=C([O-])C[C@@H](NC(=O)C1CCN(C(=O)c2cccc(NC3=CC[C@@H](O)C[NH2+]3)c2)CC1)c1cnc2ccccc2c1	ZINC000100057646	562806468	/nfs/dbraw/zinc/80/64/68/562806468.db2.gz	KLOOZQSECCCWDS-AOYPEHQESA-N	-1	0	543.624	3.027	1	0		KGAFRM
O=C([O-])C[C@H](NC(=O)C1CCN(C(=O)c2cccc(NC3=CC[C@@H](O)C[NH2+]3)c2)CC1)c1cnc2ccccc2c1	ZINC000100057652	562806490	/nfs/dbraw/zinc/80/64/90/562806490.db2.gz	KLOOZQSECCCWDS-RSXGOPAZSA-N	-1	0	543.624	3.027	1	0		KGAFRM
Cc1ccc(S(=O)(=O)NNc2nc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)nc3ccccc32)cc1	ZINC000100114860	562806840	/nfs/dbraw/zinc/80/68/40/562806840.db2.gz	OLWKMZBTNWOSAX-QGZVFWFLSA-N	-1	0	510.494	3.410	1	0		KGAFRM
Cc1ccc(S(=O)(=O)NNc2nc(C(C(=O)OC(C)C)=C([O-])C(F)(F)F)nc3ccccc32)cc1	ZINC000100114863	562806854	/nfs/dbraw/zinc/80/68/54/562806854.db2.gz	OLWKMZBTNWOSAX-KRWDZBQOSA-N	-1	0	510.494	3.410	1	0		KGAFRM
CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3c2cccc3CCS(C)(=O)=O)C(=O)[C@@H]1C(C)(C)C	ZINC000100425086	562807066	/nfs/dbraw/zinc/80/70/66/562807066.db2.gz	FXVFOBUGUREBCJ-OAQYLSRUSA-N	-1	0	510.678	3.270	1	0		KGAFRM
COc1ccc(S(=O)(=O)[N-]c2nc3c(c(=O)n(CC4CC4)c(=O)n3CC3CC3)n2Cc2cc(OC)c(OC)c(OC)c2)cc1	ZINC000100740310	562807271	/nfs/dbraw/zinc/80/72/71/562807271.db2.gz	WMLQDAQZJUFQHC-UHFFFAOYSA-N	-1	0	625.704	3.063	1	0		KGAFRM
COc1ccc(Cn2c([N-]S(=O)(=O)c3ccc(OC)cc3)nc3c2c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1	ZINC000100740318	562807262	/nfs/dbraw/zinc/80/72/62/562807262.db2.gz	IPORQBCLYQZQEE-UHFFFAOYSA-N	-1	0	565.652	3.046	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000100870683	562808354	/nfs/dbraw/zinc/80/83/54/562808354.db2.gz	BHUDKNGNZZAIQI-URORMMCBSA-N	-1	0	553.615	3.112	1	0		KGAFRM
O=C([O-])[C@H](Cc1ccc(N2C(=O)C[C@H](c3ccccc3)C2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	ZINC000100870691	562808341	/nfs/dbraw/zinc/80/83/41/562808341.db2.gz	XSLIRFLSVLKSGH-ZNZIZOMTSA-N	-1	0	539.588	3.037	1	0		KGAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CC[C@H](N(C)C(=O)N4CCOCC4)CC3)cc2)cc1	ZINC000100889469	562808444	/nfs/dbraw/zinc/80/84/44/562808444.db2.gz	LYAHBKLKJSTSGZ-OTNCWRBYSA-N	-1	0	545.658	3.037	1	0		KGAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H]3CC[C@@H](N(C)C(=O)N4CCOCC4)CC3)cc2)cc1	ZINC000100889488	562808462	/nfs/dbraw/zinc/80/84/62/562808462.db2.gz	LYAHBKLKJSTSGZ-TZBSWOFLSA-N	-1	0	545.658	3.037	1	0		KGAFRM
CCOC(=O)CNc1ccc2c(c1)c([O-])c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C	ZINC000101037662	562808834	/nfs/dbraw/zinc/80/88/34/562808834.db2.gz	OGFBGXULTNAQFC-UHFFFAOYSA-N	-1	0	512.588	3.289	1	0		KGAFRM
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NCCc4ccccc4)ccc3N2)c([O-])c2cccnc21	ZINC000101048944	562808901	/nfs/dbraw/zinc/80/89/01/562808901.db2.gz	MMSQJHYDMCWCQK-UHFFFAOYSA-N	-1	0	610.718	3.198	1	0		KGAFRM
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NCc4ccccc4)ccc3N2)c([O-])c2cccnc21	ZINC000101052775	562808913	/nfs/dbraw/zinc/80/89/13/562808913.db2.gz	MGHVKDXRIBJWRN-UHFFFAOYSA-N	-1	0	596.691	3.156	1	0		KGAFRM
O=c1c(C2=NS(=O)(=O)c3cccc(Br)c3N2)c([O-])c2cccnc2n1Cc1ccccc1	ZINC000101055133	562808954	/nfs/dbraw/zinc/80/89/54/562808954.db2.gz	CFBIVXQQMNLCQX-UHFFFAOYSA-N	-1	0	511.357	3.474	1	0		KGAFRM
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(OCC(=O)OC(C)(C)C)ccc3N2)c([O-])c2cccnc21	ZINC000101061471	562808995	/nfs/dbraw/zinc/80/89/95/562808995.db2.gz	JZRJTXZRJNGADQ-UHFFFAOYSA-N	-1	0	542.614	3.430	1	0		KGAFRM
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NC4CCCCC4)ccc3N2)c([O-])c2cccnc21	ZINC000101085912	562809044	/nfs/dbraw/zinc/80/90/44/562809044.db2.gz	SCATXBLROZYITI-UHFFFAOYSA-N	-1	0	588.712	3.288	1	0		KGAFRM
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NC(=O)C(F)(F)F)ccc3N2)c([O-])c2cccnc21	ZINC000101085937	562809045	/nfs/dbraw/zinc/80/90/45/562809045.db2.gz	KNEKSMVWWZOOIM-UHFFFAOYSA-N	-1	0	523.493	3.210	1	0		KGAFRM
O=c1c(C2=NS(=O)(=O)c3cc(Br)ccc3N2)c([O-])c2cccnc2n1Cc1ccccc1	ZINC000101085940	562809053	/nfs/dbraw/zinc/80/90/53/562809053.db2.gz	APFVBBDDEOYYOS-UHFFFAOYSA-N	-1	0	511.357	3.474	1	0		KGAFRM
COc1cccc(CNS(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(c2c([O-])c4cccnc4n(CCC(C)C)c2=O)N3)c1	ZINC000101103571	562809231	/nfs/dbraw/zinc/80/92/31/562809231.db2.gz	SLRBRBMTPCQMEP-UHFFFAOYSA-N	-1	0	626.717	3.164	1	0		KGAFRM
CCCc1ccccc1Nc1c(=O)c(=O)c1Nc1ccc(Cl)c(S(=O)(=O)N2CCN(CC)CC2)c1[O-]	ZINC000101103707	562809216	/nfs/dbraw/zinc/80/92/16/562809216.db2.gz	DQXCHBQYBJFANF-UHFFFAOYSA-N	-1	0	533.050	3.408	1	0		KGAFRM
CN1CCCN(S(=O)(=O)c2c(Cl)ccc(Nc3c(=O)c(=O)c3Nc3ccccc3Br)c2[O-])CC1	ZINC000101113457	562809257	/nfs/dbraw/zinc/80/92/57/562809257.db2.gz	CLGGTZJCSIDOGZ-UHFFFAOYSA-N	-1	0	569.865	3.218	1	0		KGAFRM
CC1(C)[C@H]2CC[C@]1(S(=O)(=O)N[C@@H](Cc1ccc(-c3cccc(Nc4c(=O)c(=O)c4NC4CC4)c3)cc1)C(=O)[O-])C(=O)C2	ZINC000101120478	562809337	/nfs/dbraw/zinc/80/93/37/562809337.db2.gz	FWYCIUUIVROTKO-ULCKYHQRSA-N	-1	0	591.686	3.330	1	0		KGAFRM
COc1ccc(CNS(=O)(=O)Nc2ccc3c(c2)S(=O)(=O)N=C(c2c([O-])c4cccnc4n(CCC(C)C)c2=O)N3)cc1	ZINC000101149951	562809501	/nfs/dbraw/zinc/80/95/01/562809501.db2.gz	ODGIDYPLDCUVLP-UHFFFAOYSA-N	-1	0	626.717	3.164	1	0		KGAFRM
COc1ccccc1CNS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(c1c([O-])c3cccnc3n(CCC(C)C)c1=O)N2	ZINC000101149960	562809517	/nfs/dbraw/zinc/80/95/17/562809517.db2.gz	BRQHEMKQAIKYSL-UHFFFAOYSA-N	-1	0	626.717	3.164	1	0		KGAFRM
Cc1cc(CN2C(=O)C(=C3[N-]S(=O)(=O)c4c3cccc4CN(C)S(C)(=O)=O)C(=O)[C@@H]2C(C)(C)C)ccc1F	ZINC000101288042	562810269	/nfs/dbraw/zinc/81/02/69/562810269.db2.gz	COIWEXXPSBKMNL-XMMPIXPASA-N	-1	0	563.673	3.286	1	0		KGAFRM
CC(C)(C)[C@H]1C(O)=C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)N1Cc1ccccc1	ZINC000101294365	562810246	/nfs/dbraw/zinc/81/02/46/562810246.db2.gz	ALABQWJNSWBAKG-JOCHJYFZSA-N	-1	0	517.629	3.368	1	0		KGAFRM
O=S(=O)(N[C@H]1CC[C@@H]([N-]S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F	ZINC000101311384	562810291	/nfs/dbraw/zinc/81/02/91/562810291.db2.gz	CGGOQLAKOPWMIE-HDJSIYSDSA-N	-1	0	579.015	3.341	1	0		KGAFRM
O=S(=O)(N[C@H]1CC[C@H]([N-]S(=O)(=O)C(F)(F)F)CC1)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F	ZINC000101311385	562810284	/nfs/dbraw/zinc/81/02/84/562810284.db2.gz	CGGOQLAKOPWMIE-OKILXGFUSA-N	-1	0	579.015	3.341	1	0		KGAFRM
COC(C)(C)CCn1c(=O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c([O-])c2cc(F)ccc21	ZINC000101658290	562811611	/nfs/dbraw/zinc/81/16/11/562811611.db2.gz	MHVJQLKSOYYJFZ-UHFFFAOYSA-N	-1	0	551.618	3.231	1	0		KGAFRM
NC(=O)COc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2	ZINC000101665046	562811637	/nfs/dbraw/zinc/81/16/37/562811637.db2.gz	XZAWEORYTJULSC-UHFFFAOYSA-N	-1	0	539.516	3.096	1	0		KGAFRM
CS(=O)(=O)NCc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2	ZINC000101669881	562811669	/nfs/dbraw/zinc/81/16/69/562811669.db2.gz	MKEAWROWDNSFTN-UHFFFAOYSA-N	-1	0	573.599	3.281	1	0		KGAFRM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3ccccc3n(Cc3ccc(F)cc3)c1=O)N2	ZINC000101670427	562811652	/nfs/dbraw/zinc/81/16/52/562811652.db2.gz	HSVHDFQYBAXHBE-UHFFFAOYSA-N	-1	0	541.582	3.464	1	0		KGAFRM
CNC(=O)COc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2	ZINC000101672305	562811677	/nfs/dbraw/zinc/81/16/77/562811677.db2.gz	YVCHUPRQZVUEKY-UHFFFAOYSA-N	-1	0	553.543	3.356	1	0		KGAFRM
COc1ccc2c(c1)c([O-])c(C1=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N1)c(=O)n2Cc1ccc(F)cc1	ZINC000101675259	562811673	/nfs/dbraw/zinc/81/16/73/562811673.db2.gz	CGLYWNOLQSPVHP-UHFFFAOYSA-N	-1	0	571.608	3.472	1	0		KGAFRM
CCOC(=O)C1=C(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)Nc2ccccc2N=C1CC	ZINC000101825412	562812248	/nfs/dbraw/zinc/81/22/48/562812248.db2.gz	RHGKMOSQMGNEEM-UHFFFAOYSA-N	-1	0	526.615	3.129	1	0		KGAFRM
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c([O-])c3cc(F)ccc3n(Cc3ccccc3)c1=O)N2	ZINC000101970148	562812422	/nfs/dbraw/zinc/81/24/22/562812422.db2.gz	SQXUGIOGFCHYIW-UHFFFAOYSA-N	-1	0	541.582	3.464	1	0		KGAFRM
CC(C)N1CCN(c2cc(N3CCOCC3)cn3c(=O)c([O-])c(-c4nc(Cc5ccc(F)cc5)c[nH]4)nc23)C1=O	ZINC000102405226	562813197	/nfs/dbraw/zinc/81/31/97/562813197.db2.gz	NAPPNWLQXUCCKR-UHFFFAOYSA-N	-1	0	547.591	3.007	1	0		KGAFRM
O=c1c([O-])c(-c2nc(Cc3ccc(F)cc3)c[nH]2)nc2c(Br)cc(N3CCOCC3)cn12	ZINC000102416526	562813253	/nfs/dbraw/zinc/81/32/53/562813253.db2.gz	LDUYTIQFCFLYQV-UHFFFAOYSA-N	-1	0	500.328	3.119	1	0		KGAFRM
O=C(NCc1ccc(F)cc1)c1c([O-])c2ncc(Cc3ccccc3)cc2n(CCN2CCCC2=O)c1=O	ZINC000102905939	562813465	/nfs/dbraw/zinc/81/34/65/562813465.db2.gz	FLTRTAWGZZZNLI-UHFFFAOYSA-N	-1	0	514.557	3.384	1	0		KGAFRM
COc1c(N2CCN(Cc3ccc([N+](=O)[O-])o3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000103176542	562815074	/nfs/dbraw/zinc/81/50/74/562815074.db2.gz	OWBHVZACGPGDEZ-CYBMUJFWSA-N	-1	0	500.483	3.394	1	0		KGAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000103224551	562817567	/nfs/dbraw/zinc/81/75/67/562817567.db2.gz	XHDVALJCZYNUOS-QNMIOERPSA-N	-1	0	596.614	3.110	1	0		KGAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000103224560	562817585	/nfs/dbraw/zinc/81/75/85/562817585.db2.gz	BBQCBOWPSQUSMP-LVEBQJTPSA-N	-1	0	617.032	3.455	1	0		KGAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)c3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000103224573	562817574	/nfs/dbraw/zinc/81/75/74/562817574.db2.gz	JPRQYZRNVKBJLQ-QNMIOERPSA-N	-1	0	596.614	3.105	1	0		KGAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000103224577	562817583	/nfs/dbraw/zinc/81/75/83/562817583.db2.gz	PSFNPOOZKKZZQW-ULBKPHCJSA-N	-1	0	610.641	3.413	1	0		KGAFRM
CC[C@@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S	ZINC000103229840	562818101	/nfs/dbraw/zinc/81/81/01/562818101.db2.gz	OWMICLFFIIFKIW-HNRFISLBSA-N	-1	0	502.401	3.165	1	0		KGAFRM
CC[C@H](C(=O)[N-]S(C)(=O)=O)N1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S	ZINC000103229842	562818059	/nfs/dbraw/zinc/81/80/59/562818059.db2.gz	OWMICLFFIIFKIW-AAWPKVBNSA-N	-1	0	502.401	3.165	1	0		KGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CN4CCN(c5ccccc5Cl)CC4)CC3)c(F)cc2c1=O	ZINC000103231214	562818239	/nfs/dbraw/zinc/81/82/39/562818239.db2.gz	UCKXCAQINZCPMR-UHFFFAOYSA-N	-1	0	568.049	3.298	1	0		KGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CN4CCN(c5ccc(Cl)cc5)CC4)CC3)c(F)cc2c1=O	ZINC000103231933	562818356	/nfs/dbraw/zinc/81/83/56/562818356.db2.gz	SOYKZGNRBRKWDM-UHFFFAOYSA-N	-1	0	568.049	3.298	1	0		KGAFRM
CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C(=O)[O-])(S(C)(=O)=O)CC4)nc3)cc(-c3ccccn3)c2s1	ZINC000103248737	562820090	/nfs/dbraw/zinc/82/00/90/562820090.db2.gz	JMDUFIAKFPSXMZ-UHFFFAOYSA-N	-1	0	581.680	3.425	1	0		KGAFRM
CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(O)(C(=O)[O-])CC4)nc3)cc(-c3ccccn3)c2s1	ZINC000103248741	562820097	/nfs/dbraw/zinc/82/00/97/562820097.db2.gz	ZDIKOLMINUXGSX-UHFFFAOYSA-N	-1	0	519.587	3.373	1	0		KGAFRM
Cn1c(=O)[nH]c(=O)c2cc(Cn3c4cc(F)c5ccoc5c4c(-c4ccc[nH]c4=O)c3C(=O)[O-])c(F)cc21	ZINC000103252890	562820428	/nfs/dbraw/zinc/82/04/28/562820428.db2.gz	FZXGSVRUJSNBMI-UHFFFAOYSA-N	-1	0	518.432	3.308	1	0		KGAFRM
CCc1cc2c(cc1F)n(Cc1cc(C(N)=O)ccc1F)c(C(=O)[N-]S(=O)(=O)C1CC1)c2-c1ccc[nH]c1=O	ZINC000103252915	562820495	/nfs/dbraw/zinc/82/04/95/562820495.db2.gz	LUOADKIQAXJYQD-UHFFFAOYSA-N	-1	0	554.575	3.206	1	0		KGAFRM
NC(=O)c1ccc(F)c(Cn2c3cc(F)c4ccoc4c3c(-c3ccc[nH]c3=O)c2C(=O)[N-]S(=O)(=O)C2CC2)c1	ZINC000103252920	562820461	/nfs/dbraw/zinc/82/04/61/562820461.db2.gz	OGCJRSBWULLPRB-UHFFFAOYSA-N	-1	0	566.542	3.390	1	0		KGAFRM
O=C([O-])c1c(-c2ccc[nH]c2=O)c2c(cc(F)c3ccoc32)n1Cc1cc2c(=O)[nH]c(=O)[nH]c2cc1F	ZINC000103252940	562820474	/nfs/dbraw/zinc/82/04/74/562820474.db2.gz	AVWQINKQNNNGGP-UHFFFAOYSA-N	-1	0	504.405	3.297	1	0		KGAFRM
CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)[N-]S(=O)(=O)C1CC1)n2Cc1cc(S(C)(=O)=O)ccc1F	ZINC000103252947	562820499	/nfs/dbraw/zinc/82/04/99/562820499.db2.gz	BIWMZXIZUBMQNN-UHFFFAOYSA-N	-1	0	571.652	3.372	1	0		KGAFRM
COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1[N-]S(=O)(=O)c1cccnc1	ZINC000103264450	562821924	/nfs/dbraw/zinc/82/19/24/562821924.db2.gz	LEPAEWXGTXYMEY-UHFFFAOYSA-N	-1	0	500.540	3.234	1	0		KGAFRM
Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)[C@H]2CCN(C(=O)C[C@H](NC(=O)Cc3ccccc3)C(=O)[O-])C2)cc1	ZINC000103266054	562822173	/nfs/dbraw/zinc/82/21/73/562822173.db2.gz	BRGYYPBOMLRWHG-IGKIAQTJSA-N	-1	0	585.661	3.306	1	0		KGAFRM
Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)[C@H]2CCN(C(=O)[C@H](CC(=O)[O-])NC(=O)Cc3ccccc3)C2)cc1	ZINC000103266058	562822212	/nfs/dbraw/zinc/82/22/12/562822212.db2.gz	HAQDQKGZJSHMBY-IGKIAQTJSA-N	-1	0	585.661	3.306	1	0		KGAFRM
CC(=O)O[C@H](CC(=O)[O-])[C@@]1(C)[C@H](C(C)(C)O)CC(=O)[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@@]321	ZINC000103293798	562824384	/nfs/dbraw/zinc/82/43/84/562824384.db2.gz	ZIKZPLSIAVHITA-GBCWXVSRSA-N	-1	0	532.586	3.210	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21	ZINC000114513515	562828251	/nfs/dbraw/zinc/82/82/51/562828251.db2.gz	BXJOIACYNKRSLC-UHFFFAOYSA-N	-1	0	550.998	3.282	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C(=O)[O-])nc3)cc21	ZINC000114514537	562828271	/nfs/dbraw/zinc/82/82/71/562828271.db2.gz	IMOWUVBXJPFPIG-UHFFFAOYSA-N	-1	0	503.920	3.282	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(F)cc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21	ZINC000114514583	562828247	/nfs/dbraw/zinc/82/82/47/562828247.db2.gz	YTLRTCJVTXTTER-UHFFFAOYSA-N	-1	0	541.966	3.411	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1COc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21	ZINC000114515417	562828275	/nfs/dbraw/zinc/82/82/75/562828275.db2.gz	DRQXQGKIDIFDMR-UHFFFAOYSA-N	-1	0	509.949	3.230	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)cc21	ZINC000114516007	562828259	/nfs/dbraw/zinc/82/82/59/562828259.db2.gz	VMWJPVPOSSECPW-UHFFFAOYSA-N	-1	0	568.988	3.421	1	0		KGAFRM
O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(Cl)c2)CCS3(=O)=O)cc1	ZINC000114516726	562828298	/nfs/dbraw/zinc/82/82/98/562828298.db2.gz	CXZNGDWRFRSXRB-UHFFFAOYSA-N	-1	0	520.972	3.273	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1COc2c1cc(C(=O)Nc1nc(CC(=O)[O-])cs1)cc2F	ZINC000114517074	562828301	/nfs/dbraw/zinc/82/83/01/562828301.db2.gz	DLLBGWZVARKRSV-UHFFFAOYSA-N	-1	0	527.939	3.369	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1COCc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21	ZINC000114517666	562828284	/nfs/dbraw/zinc/82/82/84/562828284.db2.gz	IDWORKSBLMUSAR-UHFFFAOYSA-N	-1	0	523.976	3.368	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ncc(CC(=O)[O-])s3)cc21	ZINC000114518688	562828277	/nfs/dbraw/zinc/82/82/77/562828277.db2.gz	FSTZWHGPIRPCHD-UHFFFAOYSA-N	-1	0	523.976	3.272	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ncc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21	ZINC000114518726	562828297	/nfs/dbraw/zinc/82/82/97/562828297.db2.gz	TUJKWHFTUCQLPS-UHFFFAOYSA-N	-1	0	503.920	3.282	1	0		KGAFRM
Cc1cc(C)cc(S(=O)(=O)N2CCS(=O)(=O)c3ccc(C(=O)Nc4ccc(C(=O)[O-])cc4)cc32)c1	ZINC000114520338	562828288	/nfs/dbraw/zinc/82/82/88/562828288.db2.gz	BUOGZYOUILUACF-UHFFFAOYSA-N	-1	0	514.581	3.237	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21	ZINC000114520974	562828316	/nfs/dbraw/zinc/82/83/16/562828316.db2.gz	OPPHXUMMBQMBRP-UHFFFAOYSA-N	-1	0	523.976	3.272	1	0		KGAFRM
O=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn(COP(=O)([O-])[O-])n4)c(F)c3)c2n1	ZINC000116186831	562829241	/nfs/dbraw/zinc/82/92/41/562829241.db2.gz	SFRVMXJAKYOXEA-LJQANCHMSA-N	-1	0	570.409	3.093	1	0		KGAFRM
COc1cnc(-c2cc(C(=O)[O-])n[nH]2)c2[nH]cc(C(=O)C(=O)N3CCc4c(cccc4-c4ccccn4)C3)c21	ZINC000116495710	562829409	/nfs/dbraw/zinc/82/94/09/562829409.db2.gz	VSABUOSQKAMULL-UHFFFAOYSA-N	-1	0	522.521	3.489	1	0		KGAFRM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000118514209	562830285	/nfs/dbraw/zinc/83/02/85/562830285.db2.gz	QDSANNKDHYCQQO-XZOQPEGZSA-N	-1	0	530.046	3.407	1	0		KGAFRM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000118514212	562830310	/nfs/dbraw/zinc/83/03/10/562830310.db2.gz	QDSANNKDHYCQQO-GOTSBHOMSA-N	-1	0	530.046	3.407	1	0		KGAFRM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000118514216	562830312	/nfs/dbraw/zinc/83/03/12/562830312.db2.gz	QDSANNKDHYCQQO-DHIUTWEWSA-N	-1	0	530.046	3.407	1	0		KGAFRM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21	ZINC000118514219	562830307	/nfs/dbraw/zinc/83/03/07/562830307.db2.gz	QDSANNKDHYCQQO-PKTZIBPZSA-N	-1	0	530.046	3.407	1	0		KGAFRM
O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc21	ZINC000118518483	562830290	/nfs/dbraw/zinc/83/02/90/562830290.db2.gz	RWYDGMGKTVJAMK-UHFFFAOYSA-N	-1	0	512.415	3.258	1	0		KGAFRM
O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc21	ZINC000118523978	562830343	/nfs/dbraw/zinc/83/03/43/562830343.db2.gz	POWFQDTVYCIDJJ-UHFFFAOYSA-N	-1	0	512.415	3.258	1	0		KGAFRM
O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(Cl)cc(Cl)c4)CC3)ccc21	ZINC000118527907	562830322	/nfs/dbraw/zinc/83/03/22/562830322.db2.gz	OFROMNPSWUCORK-UHFFFAOYSA-N	-1	0	512.415	3.258	1	0		KGAFRM
CC[C@@H](C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118527999	562830316	/nfs/dbraw/zinc/83/03/16/562830316.db2.gz	VNNVSLCPXHGTNE-UZUQRXQVSA-N	-1	0	535.066	3.422	1	0		KGAFRM
CC[C@H](C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118528001	562830329	/nfs/dbraw/zinc/83/03/29/562830329.db2.gz	VNNVSLCPXHGTNE-GAJHUEQPSA-N	-1	0	535.066	3.422	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118528003	562830320	/nfs/dbraw/zinc/83/03/20/562830320.db2.gz	VNNVSLCPXHGTNE-HXOBKFHXSA-N	-1	0	535.066	3.422	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118528005	562830321	/nfs/dbraw/zinc/83/03/21/562830321.db2.gz	VNNVSLCPXHGTNE-SBUREZEXSA-N	-1	0	535.066	3.422	1	0		KGAFRM
CC(C)[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118533574	562830326	/nfs/dbraw/zinc/83/03/26/562830326.db2.gz	NGJXJZNWJPPFMG-JOCHJYFZSA-N	-1	0	521.039	3.032	1	0		KGAFRM
CC(C)[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118533577	562830327	/nfs/dbraw/zinc/83/03/27/562830327.db2.gz	NGJXJZNWJPPFMG-QFIPXVFZSA-N	-1	0	521.039	3.032	1	0		KGAFRM
CC(C)C[C@@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118537747	562830378	/nfs/dbraw/zinc/83/03/78/562830378.db2.gz	VHMFEJZSTGNPGW-JOCHJYFZSA-N	-1	0	535.066	3.422	1	0		KGAFRM
CC(C)C[C@H](NC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21)C(=O)[O-]	ZINC000118537749	562830354	/nfs/dbraw/zinc/83/03/54/562830354.db2.gz	VHMFEJZSTGNPGW-QFIPXVFZSA-N	-1	0	535.066	3.422	1	0		KGAFRM
C[C@H](CCC(=O)N1CCC[C@@H]1C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118919760	562830853	/nfs/dbraw/zinc/83/08/53/562830853.db2.gz	TVPOLIFUNGGLJS-MYUDZPRRSA-N	-1	0	505.696	3.440	1	0		KGAFRM
C[C@H](CCC(=O)N1CCC[C@@H]1C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118919762	562830872	/nfs/dbraw/zinc/83/08/72/562830872.db2.gz	TVPOLIFUNGGLJS-VVPCIPJRSA-N	-1	0	505.696	3.440	1	0		KGAFRM
C[C@H](CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118919767	562830869	/nfs/dbraw/zinc/83/08/69/562830869.db2.gz	AMLDXIVVIASJFY-DJLRUIABSA-N	-1	0	505.696	3.440	1	0		KGAFRM
C[C@H](CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118919769	562830866	/nfs/dbraw/zinc/83/08/66/562830866.db2.gz	AMLDXIVVIASJFY-SCDHYIHOSA-N	-1	0	505.696	3.440	1	0		KGAFRM
C[C@@H](CCC[C@@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000118936754	571844250	/nfs/dbraw/zinc/84/42/50/571844250.db2.gz	KAOLEMQCYWHOJQ-PJKOQZLSSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
C[C@H](CCC[C@@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000118936755	571844280	/nfs/dbraw/zinc/84/42/80/571844280.db2.gz	KAOLEMQCYWHOJQ-VMCITFDSSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
C[C@@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000118936756	571844342	/nfs/dbraw/zinc/84/43/42/571844342.db2.gz	KAOLEMQCYWHOJQ-PUHIOAGOSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
C[C@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000118936757	571844210	/nfs/dbraw/zinc/84/42/10/571844210.db2.gz	KAOLEMQCYWHOJQ-HYHRANBUSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(-c3ccc(OC)cc3)nc(-c3ccccc3)n2)CC1	ZINC000136575285	562831194	/nfs/dbraw/zinc/83/11/94/562831194.db2.gz	WEAALMVORVRXSQ-QHCPKHFHSA-N	-1	0	575.622	3.083	1	0		KGAFRM
COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)CCCSC)c1	ZINC000138131613	562831710	/nfs/dbraw/zinc/83/17/10/562831710.db2.gz	KSXZHPDAMJGPTK-UHFFFAOYSA-N	-1	0	524.690	3.464	1	0		KGAFRM
COc1ccc(CCS(C)(=O)=O)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2c(C)noc2C)c1	ZINC000138132099	562831698	/nfs/dbraw/zinc/83/16/98/562831698.db2.gz	CRNCXDYHOGTLFU-UHFFFAOYSA-N	-1	0	531.616	3.375	1	0		KGAFRM
COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccnc2)cc(C(=O)N2CCOCC2)c1	ZINC000138192713	562831772	/nfs/dbraw/zinc/83/17/72/562831772.db2.gz	DZZXHYNOXNKGSE-UHFFFAOYSA-N	-1	0	520.571	3.050	1	0		KGAFRM
COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1	ZINC000138220950	562831783	/nfs/dbraw/zinc/83/17/83/562831783.db2.gz	FZDLZLXHOIAYAH-UHFFFAOYSA-N	-1	0	521.599	3.419	1	0		KGAFRM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000138231416	562831794	/nfs/dbraw/zinc/83/17/94/562831794.db2.gz	TWWZUCMYONWXDC-XWGVYQGASA-N	-1	0	555.628	3.096	1	0		KGAFRM
CCCN(C(=O)[C@H](CC(=O)[O-])C(=O)[O-])C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(C(N)=[NH2+])cc2)C1=O	ZINC000138303356	562831840	/nfs/dbraw/zinc/83/18/40/562831840.db2.gz	JBDGQWLVCASPKI-FCHUYYIVSA-N	-1	0	520.586	3.132	1	0		KGAFRM
COCCc1ccc(OC)cc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)C1CCN(C(C)=O)CC1	ZINC000138405543	562831868	/nfs/dbraw/zinc/83/18/68/562831868.db2.gz	YACMXNNGXDLHHB-UHFFFAOYSA-N	-1	0	513.620	3.324	1	0		KGAFRM
COc1ccc(CC2CCN(S(C)(=O)=O)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC000138406079	562831879	/nfs/dbraw/zinc/83/18/79/562831879.db2.gz	XLRINPBWKQPYNW-UHFFFAOYSA-N	-1	0	585.712	3.130	1	0		KGAFRM
COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(OCCO)cc2)c1	ZINC000138432084	562831873	/nfs/dbraw/zinc/83/18/73/562831873.db2.gz	NUQBLYQXQIWDSC-UHFFFAOYSA-N	-1	0	510.572	3.089	1	0		KGAFRM
COc1ccc(CN2CCOCC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccnc2)c1	ZINC000138492016	562831923	/nfs/dbraw/zinc/83/19/23/562831923.db2.gz	HAYAONBEQHJLFJ-UHFFFAOYSA-N	-1	0	506.588	3.410	1	0		KGAFRM
C[C@H]1COCCN1c1nc2nc(-c3ccc(F)c(C[N-]C(=O)C(F)(F)F)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000139492858	562832524	/nfs/dbraw/zinc/83/25/24/562832524.db2.gz	KVNKTZATRWQYKP-HOTGVXAUSA-N	-1	0	548.541	3.460	1	0		KGAFRM
COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21	ZINC000139526347	562832570	/nfs/dbraw/zinc/83/25/70/562832570.db2.gz	MHKGSTKSSIONSS-UHFFFAOYSA-N	-1	0	501.586	3.481	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21	ZINC000139681948	562832743	/nfs/dbraw/zinc/83/27/43/562832743.db2.gz	WYGPVYAFOXBNJF-UHFFFAOYSA-N	-1	0	507.977	3.436	1	0		KGAFRM
O=C([O-])c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c1	ZINC000139841022	562832767	/nfs/dbraw/zinc/83/27/67/562832767.db2.gz	COFIKGMOVADSSV-FQTAANOTSA-N	-1	0	516.945	3.393	1	0		KGAFRM
O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(=O)cc([O-])c2c1	ZINC000140266843	562832985	/nfs/dbraw/zinc/83/29/85/562832985.db2.gz	QVMGBIWUCADQAI-VMMLISQSSA-N	-1	0	555.982	3.242	1	0		KGAFRM
C[C@H]1COCCN1c1nc2nc(-c3cccc(C[N-]C(=O)C(F)(F)F)c3)ccc2c(N2CCOC[C@@H]2C)n1	ZINC000141479603	562833585	/nfs/dbraw/zinc/83/35/85/562833585.db2.gz	VJSWJOLPAPEAIE-IRXDYDNUSA-N	-1	0	530.551	3.321	1	0		KGAFRM
CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(C(=O)[O-])ccc21	ZINC000143870355	562835332	/nfs/dbraw/zinc/83/53/32/562835332.db2.gz	RIIOETKCPGKZJV-ZTNFWEORSA-N	-1	0	512.925	3.035	1	0		KGAFRM
CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCc3nnn[n-]3)ccc12	ZINC000143923288	562835425	/nfs/dbraw/zinc/83/54/25/562835425.db2.gz	BOSDLVVHOBLQSS-VZPUWSDOSA-N	-1	0	565.993	3.034	1	0		KGAFRM
CC(=O)c1cn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2nc(C(=O)[O-])ccc12	ZINC000143983900	562835545	/nfs/dbraw/zinc/83/55/45/562835545.db2.gz	OYILONWYHWMDPS-XMCHAPAWSA-N	-1	0	512.925	3.035	1	0		KGAFRM
Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCN3CCCC3=O)cc2[N-]S(=O)(=O)c2ccco2)CC1	ZINC000144331964	562836154	/nfs/dbraw/zinc/83/61/54/562836154.db2.gz	DVBQUBKNTFHPNJ-UHFFFAOYSA-N	-1	0	565.696	3.458	1	0		KGAFRM
NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1	ZINC000144360390	562836169	/nfs/dbraw/zinc/83/61/69/562836169.db2.gz	FXBVEEBXIZYGRY-DQEYMECFSA-N	-1	0	573.675	3.300	1	0		KGAFRM
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1	ZINC000144380812	562836160	/nfs/dbraw/zinc/83/61/60/562836160.db2.gz	SAJAWNZBKHGJOW-NSOVKSMOSA-N	-1	0	567.646	3.239	1	0		KGAFRM
Cc1ccccc1N1CCN(c2ccc(C(=O)NCCCc3nnn[n-]3)cc2NC(=O)c2coc(C3CC3)n2)CC1	ZINC000144428870	562836235	/nfs/dbraw/zinc/83/62/35/562836235.db2.gz	LJVURTRRJBJBFC-UHFFFAOYSA-N	-1	0	555.643	3.315	1	0		KGAFRM
C[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(N)=O	ZINC000144485358	562836262	/nfs/dbraw/zinc/83/62/62/562836262.db2.gz	NLIWJNDBQYUCSF-DFBJGRDBSA-N	-1	0	501.583	3.293	1	0		KGAFRM
NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1	ZINC000144529978	562836340	/nfs/dbraw/zinc/83/63/40/562836340.db2.gz	KHHNQNYSKXXUCV-NSOVKSMOSA-N	-1	0	567.646	3.239	1	0		KGAFRM
C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O	ZINC000144530872	562836359	/nfs/dbraw/zinc/83/63/59/562836359.db2.gz	MDMQULYGCYNXQN-DFBJGRDBSA-N	-1	0	501.583	3.293	1	0		KGAFRM
COc1ccc(CC2CCS(=O)(=O)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cn(C)cn2)c1	ZINC000144781877	562836662	/nfs/dbraw/zinc/83/66/62/562836662.db2.gz	QQMXFCAIBQLBLD-UHFFFAOYSA-N	-1	0	556.670	3.284	1	0		KGAFRM
CCc1nn(C)c2c1[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC2	ZINC000145850892	562837662	/nfs/dbraw/zinc/83/76/62/562837662.db2.gz	DEXNUMVWXZEXTR-OFFQSKLJSA-N	-1	0	561.002	3.088	1	0		KGAFRM
CCc1nn(C)c2c1[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC2	ZINC000145851106	562837642	/nfs/dbraw/zinc/83/76/42/562837642.db2.gz	DEXNUMVWXZEXTR-DIPILFDCSA-N	-1	0	561.002	3.088	1	0		KGAFRM
O=C([O-])c1ccc(NC(=O)[C@H]2c3cccnc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1	ZINC000145860708	562837632	/nfs/dbraw/zinc/83/76/32/562837632.db2.gz	SZHKBCWSFBEOKI-VDOFPXJZSA-N	-1	0	529.944	3.187	1	0		KGAFRM
O=C([O-])c1ccc(NC(=O)[C@@H]2c3cccnc3CCN2C(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1	ZINC000145860902	562837658	/nfs/dbraw/zinc/83/76/58/562837658.db2.gz	SZHKBCWSFBEOKI-OGZUKIFOSA-N	-1	0	529.944	3.187	1	0		KGAFRM
O=C([O-])c1ccc(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)C#Cc2cc(Cl)ccc2-n2cnnn2)cc1	ZINC000145864492	562837661	/nfs/dbraw/zinc/83/76/61/562837661.db2.gz	AQSZNJRFIRMABH-VWLOTQADSA-N	-1	0	526.940	3.130	1	0		KGAFRM
CC(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]1C[C@H](C)[C@H](C/C=C(C)/C=C/[C@@H]2C[C@]3(CO3)C[C@@H](CC(=O)[O-])O2)O[C@@H]1C	ZINC000146741724	562838794	/nfs/dbraw/zinc/83/87/94/562838794.db2.gz	QPCQVHMOLDTVHX-LYSKETOYSA-N	-1	0	519.635	3.476	1	0		KGAFRM
Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CC[C@H](O)C1	ZINC000147478307	562839401	/nfs/dbraw/zinc/83/94/01/562839401.db2.gz	RAHGUIKCLOWKQC-UWJYYQICSA-N	-1	0	533.054	3.001	1	0		KGAFRM
Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CC[C@@H](O)C1	ZINC000147480431	562839368	/nfs/dbraw/zinc/83/93/68/562839368.db2.gz	RAHGUIKCLOWKQC-UTKZUKDTSA-N	-1	0	533.054	3.001	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2C[C@@H](C(=O)[O-])C[C@H]2C(=O)NCc2c(F)ccc(Cl)c2F)c2ccccc21	ZINC000148033132	562839860	/nfs/dbraw/zinc/83/98/60/562839860.db2.gz	HIHLJSAYIRPGRR-VOJFVSQTSA-N	-1	0	519.892	3.123	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(CC(=O)[O-])cc21	ZINC000148074480	562840128	/nfs/dbraw/zinc/84/01/28/562840128.db2.gz	RJXPMVQKBZOSNX-DJKXOVBDSA-N	-1	0	527.940	3.299	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cc(C(=O)[O-])cc(Cl)c2F)c2ccccc21	ZINC000148159291	562840346	/nfs/dbraw/zinc/84/03/46/562840346.db2.gz	HYQOWGRLNTWQNX-ACJLOTCBSA-N	-1	0	519.892	3.320	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H](C(=O)[O-])c2cccc(Cl)c2)c2ccccc21	ZINC000148162185	562840374	/nfs/dbraw/zinc/84/03/74/562840374.db2.gz	AJHKMZGEDBFFOL-MDASCCDHSA-N	-1	0	501.902	3.108	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H](C(=O)[O-])c2cccc(Cl)c2)c2ccccc21	ZINC000148162389	562840373	/nfs/dbraw/zinc/84/03/73/562840373.db2.gz	AJHKMZGEDBFFOL-CCKFTAQKSA-N	-1	0	501.902	3.108	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(OCC(=O)[O-])ccc21	ZINC000148176233	562840476	/nfs/dbraw/zinc/84/04/76/562840476.db2.gz	UPNAOLQUAQLVHO-GBLZOACLSA-N	-1	0	543.939	3.135	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cc(CC(=O)[O-])ccc21	ZINC000148321568	562841010	/nfs/dbraw/zinc/84/10/10/562841010.db2.gz	NDXFPHBILATHJT-XMCHAPAWSA-N	-1	0	527.940	3.299	1	0		KGAFRM
NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccc(OCC(=O)[O-])cc21	ZINC000148337127	562841081	/nfs/dbraw/zinc/84/10/81/562841081.db2.gz	FBQCTGZNPICAGY-YHBQJITHSA-N	-1	0	543.939	3.135	1	0		KGAFRM
COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(NC(=O)CN(C)C)cc2)c1	ZINC000148640746	562841579	/nfs/dbraw/zinc/84/15/79/562841579.db2.gz	CPYWHXMNKNNXCO-UHFFFAOYSA-N	-1	0	550.641	3.218	1	0		KGAFRM
COc1ccc(CCCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(NC(=O)CO)c2)c1	ZINC000148934887	562841949	/nfs/dbraw/zinc/84/19/49/562841949.db2.gz	FWOABRZQDCHSCB-UHFFFAOYSA-N	-1	0	537.598	3.039	1	0		KGAFRM
COc1ccc2c(c1OC)O[C@H]1c3c4cc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc3-c3cc(O)ccc3Cc3cccc(c3)C[C@@H](O4)[C@@H]21	ZINC000150360077	565204146	/nfs/dbraw/zinc/20/41/46/565204146.db2.gz	NSTAZJPMVCIULM-ZMDFYHGSSA-N	-1	0	670.667	3.473	1	0	biogenic,in-vitro	KGAFRM
CO[C@@H]1[C@H]([C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])N(CCc2ccc(Br)cc2)C(=O)Nc2ccc(Cl)cc2)O[C@H]2OC(C)(C)O[C@@H]12	ZINC000150522793	562843529	/nfs/dbraw/zinc/84/35/29/562843529.db2.gz	KRARSAHINSIBFN-HKYMOOSYSA-N	-1	0	711.994	3.274	1	0		KGAFRM
O=C(NC(=O)[C@H](Cc1cc(I)c([O-])c(I)c1)NC(=O)[C@H](CCc1ccccc1)NC=CS(=O)(=O)c1ccccc1)NN1CCOCC1	ZINC000150555488	562844730	/nfs/dbraw/zinc/84/47/30/562844730.db2.gz	XPHGAFFNQRJBJN-TYINNCGASA-N	-1	0	887.535	3.238	1	0		KGAFRM
C[C@@H](NC(=O)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)o1)c1ccc(Cl)cc1	ZINC000150594170	562846474	/nfs/dbraw/zinc/84/64/74/562846474.db2.gz	ODUYIYLBCITWDI-BBSHIGFISA-N	-1	0	642.072	3.305	1	0		KGAFRM
CCOc1cc(C(=O)N[C@H](C)c2ccccc2)nc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1	ZINC000150594178	562846516	/nfs/dbraw/zinc/84/65/16/562846516.db2.gz	MIUFGSCWHBSFMX-ZWSIWDSVSA-N	-1	0	634.697	3.492	1	0		KGAFRM
COc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)NC(C)(C)c2ccccc2)c1	ZINC000150594190	562846480	/nfs/dbraw/zinc/84/64/80/562846480.db2.gz	RGMGZLIJQJZVFZ-WNJJXGMVSA-N	-1	0	634.697	3.276	1	0		KGAFRM
CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1	ZINC000150594205	562846471	/nfs/dbraw/zinc/84/64/71/562846471.db2.gz	VHDWPJBFJNLMRE-XTHXZNCLSA-N	-1	0	662.707	3.172	1	0		KGAFRM
CSc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1	ZINC000150594211	562846507	/nfs/dbraw/zinc/84/65/07/562846507.db2.gz	OWFMIDKWOVWZNT-DEIHTGSNSA-N	-1	0	664.748	3.496	1	0		KGAFRM
Cc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1	ZINC000150594224	562846477	/nfs/dbraw/zinc/84/64/77/562846477.db2.gz	OTNAAKQLTBFSDU-DEIHTGSNSA-N	-1	0	632.681	3.082	1	0		KGAFRM
CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc32)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000150600651	562847177	/nfs/dbraw/zinc/84/71/77/562847177.db2.gz	DAGPPYPEDXGNOO-CXODAYGWSA-N	-1	0	715.870	3.424	1	0		KGAFRM
CC(C)(C)OC(=O)N[C@H]1CCCCCCC[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O	ZINC000150601526	562847248	/nfs/dbraw/zinc/84/72/48/562847248.db2.gz	NSDRIGUFWVGSEV-OBKPAHBMSA-N	-1	0	733.860	3.368	1	0		KGAFRM
COCC1(S(=O)(=O)[N-]C(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H](OC(=O)N4Cc5ccccc5C4)C[C@H]2C(=O)N3)CC1	ZINC000150602338	562847306	/nfs/dbraw/zinc/84/73/06/562847306.db2.gz	DTAWGRFCAIPHNW-NESHUVNTSA-N	-1	0	757.907	3.022	1	0		KGAFRM
CC(C)S(=O)(=O)[N-]C(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3Cc4ccccc4C3)C[C@H]1C(=O)N2	ZINC000150602374	562847302	/nfs/dbraw/zinc/84/73/02/562847302.db2.gz	OBZBXMGCXLXVOT-JIWTWYQVSA-N	-1	0	715.870	3.251	1	0		KGAFRM
COc1ccc2c(c1)CN(C(=O)O[C@@H]1C[C@H]3C(=O)N[C@]4(C(=O)[N-]S(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C1)C2	ZINC000150602805	562847335	/nfs/dbraw/zinc/84/73/35/562847335.db2.gz	OFRNJEAWRGGBQN-RTTWGPMMSA-N	-1	0	743.880	3.014	1	0		KGAFRM
CN(C)c1cccc2c1CCN(C(=O)O[C@@H]1C[C@H]3C(=O)N[C@]4(C(=O)[N-]S(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C1)C2	ZINC000150603934	562847514	/nfs/dbraw/zinc/84/75/14/562847514.db2.gz	GXSLZKOPQGTFKY-UETYFDEASA-N	-1	0	770.950	3.114	1	0		KGAFRM
CCOc1cc(O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)[N-]S(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCN(C)C(=O)[C@@H]3C2)c2ccc(OC)c(C)c2n1	ZINC000150604310	562847642	/nfs/dbraw/zinc/84/76/42/562847642.db2.gz	JDMPXCANLSMISU-DUPAFMDXSA-N	-1	0	668.813	3.406	1	0		KGAFRM
COc1ccc2c(c1)nc(-c1ccccc1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[N-]S(=O)(=O)C4CC4)C[C@H]3/C=C\COCCN(C)C(=O)[C@@H]2C1	ZINC000150604313	562847618	/nfs/dbraw/zinc/84/76/18/562847618.db2.gz	QXGWMTQVZPYJGN-RNDJJHFTSA-N	-1	0	688.803	3.212	1	0		KGAFRM
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)c5ccn(C)n5)C(=O)N4C3)cc(OC(C)C)nc2c1C	ZINC000150606630	562847996	/nfs/dbraw/zinc/84/79/96/562847996.db2.gz	GQIMWHHPEKJUGB-KRWCESPZSA-N	-1	0	805.955	3.223	1	0		KGAFRM
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)c5cnn(C)c5)C(=O)N4C3)cc(OC(C)C)nc2c1C	ZINC000150606636	562847979	/nfs/dbraw/zinc/84/79/79/562847979.db2.gz	KZNDYVVTPVWUAJ-LTLPAKKQSA-N	-1	0	805.955	3.223	1	0		KGAFRM
COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)c5ccn[nH]5)C(=O)N4C3)cc(OC(C)C)nc2c1C	ZINC000150606679	562847977	/nfs/dbraw/zinc/84/79/77/562847977.db2.gz	KZVFTDMBALCRPN-XGXFMQRDSA-N	-1	0	791.928	3.213	1	0		KGAFRM
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc(-n3cc(COC(=O)Nc4cnc(Sc5ccccc5)c(C(F)(F)F)c4)nn3)cc2C(F)F)(C(=O)[O-])C[C@@H]1O	ZINC000150628317	562848947	/nfs/dbraw/zinc/84/89/47/562848947.db2.gz	IWBOUSHZUJBKHY-JROQZCCDSA-N	-1	0	828.726	3.047	1	0		KGAFRM
C[C@@H](C(=O)[O-])N1C(=O)c2c(c(I)c(I)c(I)c2I)C1=O	ZINC000150644773	562848965	/nfs/dbraw/zinc/84/89/65/562848965.db2.gz	BKFNZEOOHLSLFV-REOHCLBHSA-N	-1	0	722.780	3.174	1	0		KGAFRM
C[C@H](C(=O)[O-])N1C(=O)c2c(c(I)c(I)c(I)c2I)C1=O	ZINC000150644776	562848966	/nfs/dbraw/zinc/84/89/66/562848966.db2.gz	BKFNZEOOHLSLFV-UWTATZPHSA-N	-1	0	722.780	3.174	1	0		KGAFRM
CC[C@H](C)CNC(=O)C[P@](=O)([O-])[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C	ZINC000162206999	562849226	/nfs/dbraw/zinc/84/92/26/562849226.db2.gz	ZQDBBPUTYSTPQE-DYYCDWSUSA-N	-1	0	662.769	3.494	1	0		KGAFRM
COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CCNS(=O)(=O)[O-])cc1Br)=NO2	ZINC000162210136	562849249	/nfs/dbraw/zinc/84/92/49/562849249.db2.gz	VCMZCGIYWCZUJH-PZJWPPBQSA-N	-1	0	797.111	3.453	1	0		KGAFRM
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)CCC(=O)[O-])c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O	ZINC000163026995	562849312	/nfs/dbraw/zinc/84/93/12/562849312.db2.gz	HLIHPODCOYBKPV-XZDKCQRISA-N	-1	0	788.902	3.218	1	0		KGAFRM
CCCCNc1ncnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC000165958857	562850289	/nfs/dbraw/zinc/85/02/89/562850289.db2.gz	MICKDWYYAMYGKT-WVSUBDOOSA-N	-1	0	507.509	3.105	1	0		KGAFRM
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(NCc3ccccc3)nc(-c3ccccc3)n2)CC1	ZINC000167772525	562851088	/nfs/dbraw/zinc/85/10/88/562851088.db2.gz	YUNYABNGUKQYHF-QHCPKHFHSA-N	-1	0	574.638	3.020	1	0		KGAFRM
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(-c3ccsc3)nc(-c3ccccc3)n2)CC1	ZINC000168071828	562851207	/nfs/dbraw/zinc/85/12/07/562851207.db2.gz	MZJBTSWSBMERIZ-FQEVSTJZSA-N	-1	0	551.625	3.136	1	0		KGAFRM
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1	ZINC000168292519	562851305	/nfs/dbraw/zinc/85/13/05/562851305.db2.gz	ZBAYFWMDLXADHX-QFIPXVFZSA-N	-1	0	560.611	3.151	1	0		KGAFRM
C/C=C\C=C\[C@@H]1O[C@](O)([C@H](C)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@@H]2C[C@@H](O)[C@@H](/C=C/C=C/C=C/C(=O)[O-])O2)[C@H](O)[C@H](O)C1(C)C	ZINC000169292267	562851992	/nfs/dbraw/zinc/85/19/92/562851992.db2.gz	FINYNECBRYBQJR-VVEQEXMFSA-N	-1	0	659.817	3.132	1	0		KGAFRM
CC(C)c1cc(-n2nnc(C(=O)N[C@H](C(=O)[O-])C(C)C)c2-c2ccc(CN3CCOCC3)cc2)c(O)cc1O	ZINC000169306704	562853579	/nfs/dbraw/zinc/85/35/79/562853579.db2.gz	XHSBXSLFXCGQQD-DEOSSOPVSA-N	-1	0	537.617	3.140	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@@H](c4ccco4)c4nnnn4C(C)(C)C)CC3)cc21	ZINC000169308132	562854016	/nfs/dbraw/zinc/85/40/16/562854016.db2.gz	ZQNCDLASZOKEOQ-QFIPXVFZSA-N	-1	0	523.569	3.105	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN([C@H](c4ccco4)c4nnnn4C(C)(C)C)CC3)cc21	ZINC000169308135	562854032	/nfs/dbraw/zinc/85/40/32/562854032.db2.gz	ZQNCDLASZOKEOQ-JOCHJYFZSA-N	-1	0	523.569	3.105	1	0		KGAFRM
C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000169309679	562854455	/nfs/dbraw/zinc/85/44/55/562854455.db2.gz	SXOKVYFWJLCANX-KRWDZBQOSA-N	-1	0	536.560	3.137	1	0		KGAFRM
COC(=O)[C@H](Cc1ccccc1)O[P@@](=O)([O-])[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1	ZINC000169319394	562856230	/nfs/dbraw/zinc/85/62/30/562856230.db2.gz	VWCUANLUSQBJLX-NBMBROAQSA-N	-1	0	605.625	3.281	1	0		KGAFRM
COc1cccc(C(=O)N[C@H]2[C@H](n3cnc4c3ncnc4NCc3ccccc3)O[C@H](COC(=O)c3ccccc3C(=O)[O-])[C@H]2O)c1	ZINC000169319476	562856236	/nfs/dbraw/zinc/85/62/36/562856236.db2.gz	GQDBHWKUWWJQMX-VLVHCFGSSA-N	-1	0	638.637	3.059	1	0		KGAFRM
CC(C)CCNc1ncnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O	ZINC000169320635	562856433	/nfs/dbraw/zinc/85/64/33/562856433.db2.gz	DKEWECLZKUIHQW-QTQZEZTPSA-N	-1	0	521.536	3.351	1	0		KGAFRM
CCCCN(C)c1ncnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O	ZINC000169320637	562856452	/nfs/dbraw/zinc/85/64/52/562856452.db2.gz	PNUBOXQJJNAJJA-QTQZEZTPSA-N	-1	0	521.536	3.129	1	0		KGAFRM
O=[P@@]1([O-])OC[C@H]2O[C@@H](n3c(Sc4ccc(Cl)cc4)nc4c3ncnc4N3CCCCC3)[C@H](O)[C@@H]2O1	ZINC000169320642	562856443	/nfs/dbraw/zinc/85/64/43/562856443.db2.gz	UPOVYRCKRATGGF-WVSUBDOOSA-N	-1	0	539.938	3.395	1	0		KGAFRM
CC(C)CNc1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O	ZINC000169320995	562856543	/nfs/dbraw/zinc/85/65/43/562856543.db2.gz	DCTDWZMGFOUPBE-NVQRDWNXSA-N	-1	0	527.927	3.473	1	0		KGAFRM
CCCCCNc1ncnc2c1nc(SCc1ccccc1)n2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O	ZINC000169322951	562856918	/nfs/dbraw/zinc/85/69/18/562856918.db2.gz	WUDVGSHUZQFSTH-QTQZEZTPSA-N	-1	0	521.536	3.495	1	0		KGAFRM
CCN(CC)c1ncnc2c1nc(Sc1ccc(Cl)cc1)n2[C@@H]1O[C@@H]2CO[P@@](=O)([O-])O[C@H]2[C@H]1O	ZINC000169325564	562857608	/nfs/dbraw/zinc/85/76/08/562857608.db2.gz	XAJABQAJNNYQKE-NVQRDWNXSA-N	-1	0	527.927	3.251	1	0		KGAFRM
COc1ccc(C2=C(OCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)COC2=O)cc1	ZINC000169325664	562857642	/nfs/dbraw/zinc/85/76/42/562857642.db2.gz	FWFKAPLWSGTEFG-UHFFFAOYSA-N	-1	0	563.582	3.289	1	0		KGAFRM
CC(C)[C@H](NC(=O)c1cnc(NC(=O)[C@@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1)C(=O)[O-]	ZINC000169326272	562857763	/nfs/dbraw/zinc/85/77/63/562857763.db2.gz	QYBRLCGXOGUNHW-UNMCSNQZSA-N	-1	0	563.698	3.457	1	0		KGAFRM
CC(C)[C@H](NC(=O)c1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)s1)C(=O)[O-]	ZINC000169326274	562857768	/nfs/dbraw/zinc/85/77/68/562857768.db2.gz	QYBRLCGXOGUNHW-IRLDBZIGSA-N	-1	0	563.698	3.457	1	0		KGAFRM
O=C([O-])CCn1cc(-c2cnc(NC(=O)[C@@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1	ZINC000169326287	562857764	/nfs/dbraw/zinc/85/77/64/562857764.db2.gz	GPNNPPMAYKTUJO-FQEVSTJZSA-N	-1	0	559.670	3.351	1	0		KGAFRM
O=C([O-])CCn1cc(-c2cnc(NC(=O)[C@H](CC3CCOCC3)c3ccc(S(=O)(=O)C4CC4)cc3)s2)nn1	ZINC000169326289	562857766	/nfs/dbraw/zinc/85/77/66/562857766.db2.gz	GPNNPPMAYKTUJO-HXUWFJFHSA-N	-1	0	559.670	3.351	1	0		KGAFRM
Cc1ccccc1NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000169326418	562857793	/nfs/dbraw/zinc/85/77/93/562857793.db2.gz	IPCYTZBCFJQCQL-CUPIEXAXSA-N	-1	0	812.925	3.171	1	0		KGAFRM
COc1ccc(NC(=O)[N-]S(=O)(=O)N2CCC(CCNC(=O)c3cc(Cl)ccc3OC)CC2)cc1	ZINC000169330262	562858646	/nfs/dbraw/zinc/85/86/46/562858646.db2.gz	KTWWGWQAWBJCSZ-UHFFFAOYSA-N	-1	0	525.027	3.256	1	0		KGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CCOC4=C(c5ccccc5)C(=O)OC4)CC3)c(F)cc2c1=O	ZINC000169331358	562858983	/nfs/dbraw/zinc/85/89/83/562858983.db2.gz	UXALLXJNTOMREI-UHFFFAOYSA-N	-1	0	533.556	3.280	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOC4=C(c5ccccc5F)C(=O)OC4)CC3)cc21	ZINC000169331359	562858985	/nfs/dbraw/zinc/85/89/85/562858985.db2.gz	MMEOPAWLZHMNLU-UHFFFAOYSA-N	-1	0	539.535	3.105	1	0		KGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(CCOC4=C(c5ccccc5F)C(=O)OC4)CC3)c(F)cc2c1=O	ZINC000169331362	407375393	/nfs/dbraw/zinc/37/53/93/407375393.db2.gz	MKGKEOURQVFANB-UHFFFAOYSA-N	-1	0	551.546	3.420	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOC4=C(c5ccc(Cl)cc5)C(=O)OC4)CC3)nc21	ZINC000169332413	562859166	/nfs/dbraw/zinc/85/91/66/562859166.db2.gz	ZEWJKMHNQDQHOM-UHFFFAOYSA-N	-1	0	556.978	3.014	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(CCOC4=C(c5cccc(Br)c5)C(=O)OC4)CC3)nc21	ZINC000169332420	562859156	/nfs/dbraw/zinc/85/91/56/562859156.db2.gz	UJZUSJLOZLHBCY-UHFFFAOYSA-N	-1	0	601.429	3.123	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2ccc(N3CCN(CCOc4cc(O)c5c(c4)O[C@H](c4ccc(O)cc4)CC5=O)CC3)nc21	ZINC000169337457	562860032	/nfs/dbraw/zinc/86/00/32/562860032.db2.gz	LQAXTBPDUAWBML-SANMLTNESA-N	-1	0	600.628	3.433	1	0		KGAFRM
CCCCc1nc2c(nc(Sc3ccc(Cl)cc3)n2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(N)n1	ZINC000169339026	562860357	/nfs/dbraw/zinc/86/03/57/562860357.db2.gz	RODYQIMVYICTQD-BGIGGGFGSA-N	-1	0	527.927	3.330	1	0		KGAFRM
COc1ccc(Cl)cc1C(=O)NCCC1CCN(S(=O)(=O)N=C([O-])NC2CCCCC2)CC1	ZINC000169340730	562860648	/nfs/dbraw/zinc/86/06/48/562860648.db2.gz	APSDMYIZRNUFGQ-UHFFFAOYSA-N	-1	0	501.049	3.057	1	0		KGAFRM
COc1cccc(/C=C(\NC(C)=O)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)c1	ZINC000169343033	562861102	/nfs/dbraw/zinc/86/11/02/562861102.db2.gz	HDDCVTGUSHOQAM-HMEWVEERSA-N	-1	0	501.624	3.217	1	0		KGAFRM
COc1ccc(/C=C(\NC(C)=O)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)cc1	ZINC000169343034	562861088	/nfs/dbraw/zinc/86/10/88/562861088.db2.gz	TZDUOMXLMZPDRG-NCEBDUOMSA-N	-1	0	501.624	3.217	1	0		KGAFRM
O=C([O-])C1=C(Cc2ccccc2)CS[C@@H]2[C@H](NC(=O)[C@@H](C(=O)Oc3ccccc3)c3ccccc3)C(=O)N12	ZINC000169344251	562861308	/nfs/dbraw/zinc/86/13/08/562861308.db2.gz	AFMPBICBVNOYIE-QHWMMSMNSA-N	-1	0	528.586	3.357	1	0		KGAFRM
O=C([O-])C1=C(Cc2ccccc2)CS[C@@H]2[C@H](NC(=O)[C@H](C(=O)Oc3ccccc3)c3ccccc3)C(=O)N12	ZINC000169344252	562861293	/nfs/dbraw/zinc/86/12/93/562861293.db2.gz	AFMPBICBVNOYIE-AZSVPQILSA-N	-1	0	528.586	3.357	1	0		KGAFRM
CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CC[C@@H](CO)C3)cc(-c3ccccc3)n2)CC1	ZINC000169358018	562863974	/nfs/dbraw/zinc/86/39/74/562863974.db2.gz	GOYTYHASLSAVTG-BVAGGSTKSA-N	-1	0	609.724	3.001	1	0		KGAFRM
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)NC[P@@](=O)([O-])C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1	ZINC000169359047	562864037	/nfs/dbraw/zinc/86/40/37/562864037.db2.gz	YESRVWYRSOICAY-MDMAHDEASA-N	-1	0	669.760	3.265	1	0		KGAFRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](C(=O)Cc1ccccc1)[C@@H](O)C(=O)[O-])C(C)C)C(=O)N(C)c1ccccn1	ZINC000169359108	562864050	/nfs/dbraw/zinc/86/40/50/562864050.db2.gz	WVFVYHKXJBDHSE-CUEMQOIFSA-N	-1	0	668.832	3.003	1	0		KGAFRM
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000169368760	562864638	/nfs/dbraw/zinc/86/46/38/562864638.db2.gz	XGCDNGBJXXBQKT-VOUAHHGTSA-N	-1	0	805.974	3.328	1	0		KGAFRM
CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000169368761	562864634	/nfs/dbraw/zinc/86/46/34/562864634.db2.gz	XGCDNGBJXXBQKT-CRXZGGCESA-N	-1	0	805.974	3.328	1	0		KGAFRM
Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OCC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)n1	ZINC000169697133	562866414	/nfs/dbraw/zinc/86/64/14/562866414.db2.gz	ULEVRJKNZJLMMK-INIZCTEOSA-N	-1	0	538.889	3.488	1	0		KGAFRM
Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OCC[C@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)n1	ZINC000169697134	562866444	/nfs/dbraw/zinc/86/64/44/562866444.db2.gz	ULEVRJKNZJLMMK-MRXNPFEDSA-N	-1	0	538.889	3.488	1	0		KGAFRM
Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OC[C@@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)n1	ZINC000169697143	562866418	/nfs/dbraw/zinc/86/64/18/562866418.db2.gz	WPZQFRGWZRSMKV-HNNXBMFYSA-N	-1	0	524.862	3.097	1	0		KGAFRM
Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)OC[C@H]3NC(=O)C2([N-]C(=O)C(F)(F)F)CC2)n1	ZINC000169697144	562866399	/nfs/dbraw/zinc/86/63/99/562866399.db2.gz	WPZQFRGWZRSMKV-OAHLLOKOSA-N	-1	0	524.862	3.097	1	0		KGAFRM
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@@H]3c3ccccc3)c3ccccc3n2)CC1	ZINC000169701296	562867995	/nfs/dbraw/zinc/86/79/95/562867995.db2.gz	FAJICISULDPTIS-XTEPFMGCSA-N	-1	0	645.713	3.241	1	0		KGAFRM
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OCC(=O)N3CCC[C@H]3c3ccccc3)c3ccccc3n2)CC1	ZINC000169701297	562867998	/nfs/dbraw/zinc/86/79/98/562867998.db2.gz	FAJICISULDPTIS-XCZPVHLTSA-N	-1	0	645.713	3.241	1	0		KGAFRM
NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](CCCOC=O)NC(=O)CCc1cc(-c2ccc(-c3cccc(Cl)c3)cc2)no1	ZINC000169701543	562868092	/nfs/dbraw/zinc/86/80/92/562868092.db2.gz	QDHXNZRPVLUOML-DQEYMECFSA-N	-1	0	613.067	3.258	1	0		KGAFRM
NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1	ZINC000169701569	562868106	/nfs/dbraw/zinc/86/81/06/562868106.db2.gz	SAJAWNZBKHGJOW-WUFINQPMSA-N	-1	0	567.646	3.239	1	0		KGAFRM
NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCCOC=O)NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1	ZINC000169701576	562868081	/nfs/dbraw/zinc/86/80/81/562868081.db2.gz	GOLLITFKIKKRMV-DQEYMECFSA-N	-1	0	579.675	3.288	1	0		KGAFRM
COc1ccc2c(cc(Cl)nc2O[C@@H]2C[C@H]3C(=O)N[C@]4(C(=O)[N-]S(=O)(=O)C5CC5)C[C@H]4/C=C\CCCCOC(=O)N3C2)c1	ZINC000169702921	562868545	/nfs/dbraw/zinc/86/85/45/562868545.db2.gz	KMRSRQTYTCFVAX-LTYXBVNVSA-N	-1	0	633.123	3.079	1	0		KGAFRM
COc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000169703424	562868773	/nfs/dbraw/zinc/86/87/73/562868773.db2.gz	BLIYGGYEOUFANL-UHFFFAOYSA-N	-1	0	539.676	3.421	1	0		KGAFRM
CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000169703426	562868775	/nfs/dbraw/zinc/86/87/75/562868775.db2.gz	QKEJWAWYOXYNGG-UHFFFAOYSA-N	-1	0	566.702	3.371	1	0		KGAFRM
CCC[C@@H](NC(=O)N1CC2=NOCC(=O)N2C[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1	ZINC000169707618	562870155	/nfs/dbraw/zinc/87/01/55/562870155.db2.gz	XGZXMBNUKNJTHA-DYESRHJHSA-N	-1	0	572.018	3.053	1	0		KGAFRM
CCC[C@@H](NC(=O)N1CC2=NOCC(=O)N2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)[O-])c(N)c1	ZINC000169707619	562870169	/nfs/dbraw/zinc/87/01/69/562870169.db2.gz	XGZXMBNUKNJTHA-LAUBAEHRSA-N	-1	0	572.018	3.053	1	0		KGAFRM
Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc([N-]S(=O)(=O)C(F)(F)F)cc3)c2)c2cncnc21	ZINC000169707878	562870205	/nfs/dbraw/zinc/87/02/05/562870205.db2.gz	RQQRPKSXGZTIMS-UHFFFAOYSA-N	-1	0	518.477	3.037	1	0		KGAFRM
C[C@@H](NC(=O)C1([N-]C(=O)C(F)(F)F)COC1)c1ccc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F	ZINC000169710381	562870623	/nfs/dbraw/zinc/87/06/23/562870623.db2.gz	PNXLQFRHHHRCHN-SNVBAGLBSA-N	-1	0	544.868	3.100	1	0		KGAFRM
O=C([N-]CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1[O-])C(F)(F)F	ZINC000169710993	562870731	/nfs/dbraw/zinc/87/07/31/562870731.db2.gz	JUMFZMZXQMGWGP-UHFFFAOYSA-N	-1	0	510.472	3.226	1	0		KGAFRM
CC[C@@](O)(CC(=O)[O-])c1cc2n(c(=O)c1CO)Cc1c-2nc2ccc(O)cc2c1[Si](C)(C)C(C)(C)C	ZINC000195299396	562871651	/nfs/dbraw/zinc/87/16/51/562871651.db2.gz	RNEIQFNWYJTNJF-HHHXNRCGSA-N	-1	0	510.663	3.411	1	0		KGAFRM
CC[C@](O)(CC(=O)[O-])c1cc2n(c(=O)c1CO)Cc1c-2nc2ccc(O)cc2c1[Si](C)(C)C(C)(C)C	ZINC000195299409	562871643	/nfs/dbraw/zinc/87/16/43/562871643.db2.gz	RNEIQFNWYJTNJF-MHZLTWQESA-N	-1	0	510.663	3.411	1	0		KGAFRM
COc1ccc2cc(C(=O)CN3CCN(c4c(F)cc5c(=O)c(C(=O)[O-])cn(C6CC6)c5c4OC)CC3)c(=O)oc2c1	ZINC000199859550	562873192	/nfs/dbraw/zinc/87/31/92/562873192.db2.gz	ROJIKFZJUQYUBN-UHFFFAOYSA-N	-1	0	577.565	3.302	1	0		KGAFRM
Cc1cc(C(=O)N2CC(OC(=O)c3ccccn3)C2)ccc1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000200252504	562873295	/nfs/dbraw/zinc/87/32/95/562873295.db2.gz	RMOZPAUHTDKYJO-UHFFFAOYSA-N	-1	0	502.552	3.420	1	0		KGAFRM
COc1cc([N-]S(=O)(=O)c2cccc3cccnc32)ccc1C(=O)N1CC(O)(Cc2ccccc2)C1	ZINC000200255778	562873335	/nfs/dbraw/zinc/87/33/35/562873335.db2.gz	ZDLFADPFFVWHEJ-UHFFFAOYSA-N	-1	0	503.580	3.474	1	0		KGAFRM
CO[C@H]1CN(c2nc(-c3nc(C)no3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000201039346	562873494	/nfs/dbraw/zinc/87/34/94/562873494.db2.gz	FIRYDPKYDLSKDT-ZJUUUORDSA-N	-1	0	515.379	3.167	1	0		KGAFRM
O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2n[n-]c(=O)o2)cc1	ZINC000201536014	562873536	/nfs/dbraw/zinc/87/35/36/562873536.db2.gz	RCCJGKQQAVJFBG-SYZXBLONSA-N	-1	0	556.970	3.038	1	0		KGAFRM
O=C(C=Cc1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000201536162	562873498	/nfs/dbraw/zinc/87/34/98/562873498.db2.gz	YBHMTFZXRDJTMT-SYZXBLONSA-N	-1	0	556.970	3.038	1	0		KGAFRM
O=C([O-])Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)cc1	ZINC000201540804	562873530	/nfs/dbraw/zinc/87/35/30/562873530.db2.gz	DRNNIJVASSWYII-NWMLYGLHSA-N	-1	0	530.972	3.322	1	0		KGAFRM
COc1cc(C(C)C)c(Oc2cnc(NC(=O)CCC(=O)[O-])nc2N)cc1I	ZINC000202440042	562873782	/nfs/dbraw/zinc/87/37/82/562873782.db2.gz	JVEIUYRWFBGWRA-UHFFFAOYSA-N	-1	0	500.293	3.391	1	0		KGAFRM
C[C@@H]1CN2c3c(nc4c(-c5sc(Cl)nc5Cl)noc4c3Cl)CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2[C@H](C)O1	ZINC000202887600	562873905	/nfs/dbraw/zinc/87/39/05/562873905.db2.gz	OAYPPYWVGMKPSI-JWMOJKERSA-N	-1	0	557.803	3.197	1	0		KGAFRM
CO[C@@H]1[C@@H](F)CN(C(=O)Cn2cc(C(C)=O)c3ccc(C(=O)[O-])cc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F	ZINC000205054615	562874934	/nfs/dbraw/zinc/87/49/34/562874934.db2.gz	TWUOTKZEKPTGSH-WDJPJFJCSA-N	-1	0	547.942	3.215	1	0		KGAFRM
CS(=O)(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@@H]2C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000205187215	562874961	/nfs/dbraw/zinc/87/49/61/562874961.db2.gz	CHQVZXAMVUFZTQ-UBWSOHEKSA-N	-1	0	640.053	3.302	1	0		KGAFRM
CS(=O)(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@H]2C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000205187232	562875022	/nfs/dbraw/zinc/87/50/22/562875022.db2.gz	CHQVZXAMVUFZTQ-CJVCNUQRSA-N	-1	0	640.053	3.302	1	0		KGAFRM
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2c(n1CC(=O)[O-])CCNC2=O	ZINC000205457384	562875447	/nfs/dbraw/zinc/87/54/47/562875447.db2.gz	WROJWHDKZMSTDT-UHFFFAOYSA-N	-1	0	522.501	3.489	1	0		KGAFRM
Cc1c(Cc2cc(Br)ccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)[O-])CCNC2=O	ZINC000205465269	562875446	/nfs/dbraw/zinc/87/54/46/562875446.db2.gz	PICNNOXVSOCUFK-UHFFFAOYSA-N	-1	0	517.401	3.353	1	0		KGAFRM
CN(c1ccccc1)S(=O)(=O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)[n-]c1=O	ZINC000207831978	562876809	/nfs/dbraw/zinc/87/68/09/562876809.db2.gz	UOUYQDXRJPWSRX-UHFFFAOYSA-N	-1	0	506.519	3.301	1	0		KGAFRM
CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000210444034	562877026	/nfs/dbraw/zinc/87/70/26/562877026.db2.gz	MRDGTXNCJIRKAP-INIZCTEOSA-N	-1	0	521.567	3.174	1	0		KGAFRM
Nc1nc(CC2(O)CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc5scnc54)cc3)CC2)cs1	ZINC000220521468	562878527	/nfs/dbraw/zinc/87/85/27/562878527.db2.gz	FBOAHQOHXRMIHN-UHFFFAOYSA-N	-1	0	529.669	3.346	1	0		KGAFRM
CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2F)s1)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000221149607	562878789	/nfs/dbraw/zinc/87/87/89/562878789.db2.gz	MRDGTXNCJIRKAP-MRXNPFEDSA-N	-1	0	521.567	3.174	1	0		KGAFRM
O=C([O-])c1ccc(NC(=O)[C@@H]2c3ccnc(N4CCOCC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1	ZINC000224062771	562880218	/nfs/dbraw/zinc/88/02/18/562880218.db2.gz	MTZANQJFDILYMU-RSCNSQJMSA-N	-1	0	633.040	3.163	1	0		KGAFRM
O=C([O-])c1ccc(NC(=O)[C@H]2c3ccnc(N4CCOCC4)c3CCN2C(=O)/C=C/c2c(F)c(Cl)ccc2-n2cnnn2)cc1	ZINC000224062834	562880236	/nfs/dbraw/zinc/88/02/36/562880236.db2.gz	MTZANQJFDILYMU-KKGOCVRDSA-N	-1	0	633.040	3.163	1	0		KGAFRM
COCCNC(=O)c1cccc2c1CCN(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)[C@@H]2C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000224064943	562880230	/nfs/dbraw/zinc/88/02/30/562880230.db2.gz	HHRDHMWATFLYMC-XFNDTEKISA-N	-1	0	630.061	3.168	1	0		KGAFRM
COCCNC(=O)c1cccc2c1CCN(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)[C@H]2C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000224064989	562880216	/nfs/dbraw/zinc/88/02/16/562880216.db2.gz	HHRDHMWATFLYMC-KJBIALHLSA-N	-1	0	630.061	3.168	1	0		KGAFRM
CCNC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccccc3)CC1)c2NCc1ccccc1	ZINC000224730448	562880498	/nfs/dbraw/zinc/88/04/98/562880498.db2.gz	LGXJECHIXLGTBT-UHFFFAOYSA-N	-1	0	561.668	3.369	1	0		KGAFRM
COCC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccccc3)CC1)c2Nc1ccc(F)cc1C	ZINC000224732641	562880534	/nfs/dbraw/zinc/88/05/34/562880534.db2.gz	KGCXJIYAQXLRMF-UHFFFAOYSA-N	-1	0	580.642	3.392	1	0		KGAFRM
Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(S(=O)(=O)[N-]S(C)(=O)=O)cnn21	ZINC000224740399	562880508	/nfs/dbraw/zinc/88/05/08/562880508.db2.gz	KSUHNVGQYGLZSX-UHFFFAOYSA-N	-1	0	586.671	3.178	1	0		KGAFRM
O=C([O-])[C@H]1CC=CC(=O)[C@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCSC[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000253633211	562882047	/nfs/dbraw/zinc/88/20/47/562882047.db2.gz	GMWGOKOUAIZYCL-KZTDQWPFSA-N	-1	0	553.589	3.460	1	0		KGAFRM
O=C([O-])[C@H]1CC=CC(=O)[C@@H]1C(=O)c1ccc(C(=O)O[C@H]2CCCSC[C@H]2NC(=O)c2ccc(O)cc2)cc1O	ZINC000253633214	562882051	/nfs/dbraw/zinc/88/20/51/562882051.db2.gz	GMWGOKOUAIZYCL-QEFHDYNCSA-N	-1	0	553.589	3.460	1	0		KGAFRM
C[C@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C	ZINC000261496682	571862374	/nfs/dbraw/zinc/86/23/74/571862374.db2.gz	KAOLEMQCYWHOJQ-GWRGXLKDSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
C[C@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C	ZINC000261496683	571862234	/nfs/dbraw/zinc/86/22/34/571862234.db2.gz	KAOLEMQCYWHOJQ-HNYOWAAGSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
C[C@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C	ZINC000261496684	571862363	/nfs/dbraw/zinc/86/23/63/571862363.db2.gz	KAOLEMQCYWHOJQ-NATNSRFCSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
C[C@H](CCC[C@H](CO)COS(=O)(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C	ZINC000261496685	571862282	/nfs/dbraw/zinc/86/22/82/571862282.db2.gz	KAOLEMQCYWHOJQ-WJERQLAFSA-N	-1	0	532.740	3.182	1	0	endogenous,in-man	KGAFRM
CO[C@H]1CN(c2nc(-c3cncnc3)c(C(=O)[O-])s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl	ZINC000299823865	562883090	/nfs/dbraw/zinc/88/30/90/562883090.db2.gz	AHFWNEDKDLPNEU-NEPJUHHUSA-N	-1	0	511.391	3.265	1	0		KGAFRM
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3-c3cccc4n[nH]cc43)CC2)cn1	ZINC000299824088	562883180	/nfs/dbraw/zinc/88/31/80/562883180.db2.gz	AOGZFWXHJBGCMF-UHFFFAOYSA-N	-1	0	601.533	3.425	1	0		KGAFRM
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3-c3ccc4c(c3)CC(=O)N4)CC2)cn1	ZINC000299824455	562883279	/nfs/dbraw/zinc/88/32/79/562883279.db2.gz	CCBGXHVMEBIPHT-UHFFFAOYSA-N	-1	0	616.544	3.044	1	0		KGAFRM
CC(C)S(=O)(=O)c1ccccc1Nc1nc([N-]c2nc3c(s2)CCN(C(=O)CO)CC3)ncc1Cl	ZINC000299826910	562884021	/nfs/dbraw/zinc/88/40/21/562884021.db2.gz	NWGMBYQDXGHADH-UHFFFAOYSA-N	-1	0	537.067	3.175	1	0		KGAFRM
CC(C)S(=O)(=O)c1ccccc1Nc1nc([N-]c2nc(C(=O)NCCN3CCOCC3)cs2)ncc1Cl	ZINC000299827115	562884081	/nfs/dbraw/zinc/88/40/81/562884081.db2.gz	OVOJQDBCGZKMOU-UHFFFAOYSA-N	-1	0	566.109	3.318	1	0		KGAFRM
Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C(=O)[O-])s3)CC23OCC2(CC2)CO3)c(Cl)c1Cl	ZINC000299827332	562884106	/nfs/dbraw/zinc/88/41/06/562884106.db2.gz	YJMXQLUTCMKCMW-GFCCVEGCSA-N	-1	0	501.392	3.317	1	0		KGAFRM
CN1c2ccc(-c3cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc3N3CCN(S(=O)(=O)c4ccc(N)nc4)CC3)cc2CC1=O	ZINC000299828531	562884513	/nfs/dbraw/zinc/88/45/13/562884513.db2.gz	NKJWMVLVWIYOFZ-UHFFFAOYSA-N	-1	0	630.571	3.068	1	0		KGAFRM
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3-c3ccccc3O)CC2)cn1	ZINC000299828645	562884565	/nfs/dbraw/zinc/88/45/65/562884565.db2.gz	OGOGMCHKKXEGPD-UHFFFAOYSA-N	-1	0	577.507	3.255	1	0		KGAFRM
Cc1ccc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1	ZINC000299829137	562884712	/nfs/dbraw/zinc/88/47/12/562884712.db2.gz	QGJFEYGRJCWKJO-UHFFFAOYSA-N	-1	0	576.523	3.252	1	0		KGAFRM
Nc1ccc(S(=O)(=O)N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)cc3-c3ccoc3)CC2)cn1	ZINC000299829140	562884748	/nfs/dbraw/zinc/88/47/48/562884748.db2.gz	QGQJZMHESTYQND-UHFFFAOYSA-N	-1	0	551.469	3.142	1	0		KGAFRM
O=C([O-])c1cc(-c2cc(C(=O)NCCCCC(=O)Nc3ccc(N4CCOCC4)cc3)no2)ccc1O	ZINC000299830245	562885170	/nfs/dbraw/zinc/88/51/70/562885170.db2.gz	XLZKROSAVZOLEZ-UHFFFAOYSA-N	-1	0	508.531	3.121	1	0		KGAFRM
CC(C)n1cc(-c2cc(C([O-])(C(F)(F)F)C(F)(F)F)cnc2N2CCN(S(=O)(=O)c3ccc(N)nc3)CC2)cn1	ZINC000299830674	562885332	/nfs/dbraw/zinc/88/53/32/562885332.db2.gz	XTRFXBHWHPWRRU-UHFFFAOYSA-N	-1	0	593.554	3.326	1	0		KGAFRM
COc1ccc(Cc2nn(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c(=O)c3ccccc23)cc1	ZINC000299831777	562885705	/nfs/dbraw/zinc/88/57/05/562885705.db2.gz	RQCMSMWBQSSFIN-UHFFFAOYSA-N	-1	0	556.604	3.225	1	0		KGAFRM
COc1ccc(-c2c(C(=O)NC3CCN(S(C)(=O)=O)CC3)noc2-c2cc(Cl)c([O-])cc2O)cc1	ZINC000299832682	562885917	/nfs/dbraw/zinc/88/59/17/562885917.db2.gz	KDSTWUUMLDUNDV-UHFFFAOYSA-N	-1	0	521.979	3.236	1	0		KGAFRM
O=S(=O)([N-]C(=S)Nc1ccccc1)c1ccc(CCNS(=O)(=O)c2cccc3cccnc32)cc1	ZINC000299833588	562886188	/nfs/dbraw/zinc/88/61/88/562886188.db2.gz	YRVHIPDULBMMKV-UHFFFAOYSA-N	-1	0	526.665	3.431	1	0		KGAFRM
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Br)cc(Br)c1OCc1cn(CC(=O)NCCC(=O)[O-])nn1	ZINC000299834543	562886476	/nfs/dbraw/zinc/88/64/76/562886476.db2.gz	JRTGRSDCIPHYAV-UHFFFAOYSA-N	-1	0	713.380	3.334	1	0		KGAFRM
COc1c([N-]S(=O)(=O)c2ccc(F)cc2)cc(-c2ccc3nc(NC(C)=O)sc3n2)cc1C(N)=O	ZINC000299834824	562886613	/nfs/dbraw/zinc/88/66/13/562886613.db2.gz	CLWBLMPJCULBNA-UHFFFAOYSA-N	-1	0	515.548	3.364	1	0		KGAFRM
CSc1nccc(-c2c(-c3ccc(F)cc3)nc3nc(-c4cn(CC[P@@](=O)([O-])O)nn4)ccn32)n1	ZINC000299835249	562886815	/nfs/dbraw/zinc/88/68/15/562886815.db2.gz	WXRVOEDXNPHXRM-UHFFFAOYSA-N	-1	0	512.467	3.151	1	0		KGAFRM
Cc1nc2c(I)cc(I)cc2c(=O)n1-c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000299835966	562886978	/nfs/dbraw/zinc/88/69/78/562886978.db2.gz	FKWGSIQDRDAZFZ-UHFFFAOYSA-N	-1	0	645.220	3.494	1	0		KGAFRM
O=c1[n-]c(=O)n([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2no[n+]([O-])c21	ZINC000299837699	562887609	/nfs/dbraw/zinc/88/76/09/562887609.db2.gz	PELKBUXDIIBHCB-CTDWIVFPSA-N	-1	0	572.574	3.009	1	0		KGAFRM
O=C(N[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC(Br)=NO2)N(C(=O)OCc2cnc3ccccc3c2)C1)c1ccc(O)cc1	ZINC000299838707	562887939	/nfs/dbraw/zinc/88/79/39/562887939.db2.gz	QVOYKPGHRLCTID-NWSQWKLXSA-N	-1	0	596.438	3.063	1	0		KGAFRM
O=C([O-])COCC(=O)O[C@H]1CC[C@H](N2CCN(C(=O)c3nc4c(C(F)(F)F)cc(C5CC5)cn4c3Cl)CC2=O)CC1	ZINC000299845937	562889576	/nfs/dbraw/zinc/88/95/76/562889576.db2.gz	NETMYODRMSNNNW-QAQDUYKDSA-N	-1	0	600.978	3.124	1	0		KGAFRM
C[C@H]([C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299847831	562890049	/nfs/dbraw/zinc/89/00/49/562890049.db2.gz	GVXYQXMZUGYSCA-CWIIIKBYSA-N	-1	0	511.725	3.253	1	0		KGAFRM
C[C@H]([C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C	ZINC000299847832	562890085	/nfs/dbraw/zinc/89/00/85/562890085.db2.gz	GVXYQXMZUGYSCA-FPMMWDQPSA-N	-1	0	511.725	3.253	1	0		KGAFRM
C[C@H]([C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C	ZINC000299847833	562890090	/nfs/dbraw/zinc/89/00/90/562890090.db2.gz	GVXYQXMZUGYSCA-KGGONESJSA-N	-1	0	511.725	3.253	1	0		KGAFRM
C[C@H]([C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000299847834	562890083	/nfs/dbraw/zinc/89/00/83/562890083.db2.gz	GVXYQXMZUGYSCA-UXEIMUPNSA-N	-1	0	511.725	3.253	1	0		KGAFRM
C[C@H](CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299849495	562890473	/nfs/dbraw/zinc/89/04/73/562890473.db2.gz	AMLDXIVVIASJFY-XLDLQASLSA-N	-1	0	505.696	3.440	1	0		KGAFRM
C[C@H](CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299849496	562890475	/nfs/dbraw/zinc/89/04/75/562890475.db2.gz	AMLDXIVVIASJFY-YDHGAKLXSA-N	-1	0	505.696	3.440	1	0		KGAFRM
C[C@H](CCC(=O)N1CCC[C@@H]1C(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299850493	562890611	/nfs/dbraw/zinc/89/06/11/562890611.db2.gz	TVPOLIFUNGGLJS-GRDZQZRQSA-N	-1	0	505.696	3.440	1	0		KGAFRM
C[C@H](CCC(=O)N1CCC[C@@H]1C(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000299850496	562890604	/nfs/dbraw/zinc/89/06/04/562890604.db2.gz	TVPOLIFUNGGLJS-PMLKLULLSA-N	-1	0	505.696	3.440	1	0		KGAFRM
O=C([O-])CCC(=O)N1CCN(c2ccc(Nc3ncc(Br)c(NC[C@H]4CCCO4)n3)cc2)CC1	ZINC000299851575	562890778	/nfs/dbraw/zinc/89/07/78/562890778.db2.gz	GVIHZLYZHGIPNZ-GOSISDBHSA-N	-1	0	533.427	3.087	1	0		KGAFRM
O=C([O-])CCC(=O)N1CCN(c2ccc(Nc3ncc(Br)c(NC[C@@H]4CCCO4)n3)cc2)CC1	ZINC000299851576	562890753	/nfs/dbraw/zinc/89/07/53/562890753.db2.gz	GVIHZLYZHGIPNZ-SFHVURJKSA-N	-1	0	533.427	3.087	1	0		KGAFRM
COc1ccc(OC(=O)N(CC(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1	ZINC000299853902	562891258	/nfs/dbraw/zinc/89/12/58/562891258.db2.gz	RRDHVAGAEOKAQO-HKBAUFCZSA-N	-1	0	706.701	3.278	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc2c1OCCO2	ZINC000299855296	562891639	/nfs/dbraw/zinc/89/16/39/562891639.db2.gz	DJWVYXYXJFWWQZ-UHFFFAOYSA-N	-1	0	554.002	3.281	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N(c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc2c1OCO2)C(C)C	ZINC000299855418	562891652	/nfs/dbraw/zinc/89/16/52/562891652.db2.gz	FALQUDWKWKZHAU-UHFFFAOYSA-N	-1	0	550.977	3.214	1	0		KGAFRM
COc1ccc(Cl)cc1CN1C(=O)CS(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc21	ZINC000299856525	562891927	/nfs/dbraw/zinc/89/19/27/562891927.db2.gz	JJCNKZBEXUKXJR-UHFFFAOYSA-N	-1	0	535.987	3.005	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc2c1OCO2	ZINC000299856556	562891928	/nfs/dbraw/zinc/89/19/28/562891928.db2.gz	JUJRMDZBUGOSTC-UHFFFAOYSA-N	-1	0	539.975	3.238	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2c(Cl)cc(C(=O)Nc3ccn(CC(=O)[O-])n3)cc21	ZINC000299857975	562892357	/nfs/dbraw/zinc/89/23/57/562892357.db2.gz	PGHQMDYPFUUHMA-UHFFFAOYSA-N	-1	0	541.369	3.123	1	0		KGAFRM
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCCC(=O)Nc4cc(-c5cccs5)ccc4N)C(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000299858065	562892390	/nfs/dbraw/zinc/89/23/90/562892390.db2.gz	GCYMHAYUHTVLCR-QHCPKHFHSA-N	-1	0	698.766	3.129	1	0		KGAFRM
COCCN(c1cc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000299858339	562892420	/nfs/dbraw/zinc/89/24/20/562892420.db2.gz	QTBVVUAOGRCMSF-UHFFFAOYSA-N	-1	0	584.028	3.255	1	0		KGAFRM
CCCN(c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000299858368	562892447	/nfs/dbraw/zinc/89/24/47/562892447.db2.gz	QYGSMOCMCQQATA-UHFFFAOYSA-N	-1	0	550.977	3.216	1	0		KGAFRM
COc1ccc(Cl)cc1S(=O)(=O)N(C)c1cc(C(=O)Nc2ncc(CC(=O)[O-])s2)cc2c1OCO2	ZINC000299858803	562892537	/nfs/dbraw/zinc/89/25/37/562892537.db2.gz	UKEQFZDEPIXVIC-UHFFFAOYSA-N	-1	0	539.975	3.238	1	0		KGAFRM
COCCN(c1cc(C(=O)Nc2ncc(CC(=O)[O-])s2)cc2c1OCO2)S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000299859766	562892766	/nfs/dbraw/zinc/89/27/66/562892766.db2.gz	YLGDWVSYXDXFHA-UHFFFAOYSA-N	-1	0	584.028	3.255	1	0		KGAFRM
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000299861059	562893112	/nfs/dbraw/zinc/89/31/12/562893112.db2.gz	HPNOZSLHTJSMGJ-OLTNKLSWSA-N	-1	0	654.805	3.063	1	0		KGAFRM
CC(C)[C@H](NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](Cc1cn(C)cn1)C(=O)[O-]	ZINC000299866198	562894580	/nfs/dbraw/zinc/89/45/80/562894580.db2.gz	VHEVYTJWDOQVAE-HOTGVXAUSA-N	-1	0	523.434	3.416	1	0		KGAFRM
CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@H](CC(=O)O[C@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1	ZINC000299871711	562895764	/nfs/dbraw/zinc/89/57/64/562895764.db2.gz	ZBBCHFMIHNDMPD-GMECBFDYSA-N	-1	0	730.660	3.340	1	0		KGAFRM
CC(C)[C@@H](CS(=O)(=O)C(C)C)N1C(=O)[C@@H](CC(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1	ZINC000299871712	562895731	/nfs/dbraw/zinc/89/57/31/562895731.db2.gz	ZBBCHFMIHNDMPD-MKZWULKUSA-N	-1	0	730.660	3.340	1	0		KGAFRM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](N=c4ccn(Cc5ccccc5)cc4)[C@H]3SC2)s1	ZINC000377578535	562895888	/nfs/dbraw/zinc/89/58/88/562895888.db2.gz	CKDGYMKFSDJCBF-WIYYLYMNSA-N	-1	0	511.654	3.012	1	0		KGAFRM
CCOC(=S)SCC1=C(C(=O)[O-])N2C(=O)[C@@H](N=c3ccn(Cc4ccccc4)cc3)[C@H]2SC1	ZINC000377591694	562895904	/nfs/dbraw/zinc/89/59/04/562895904.db2.gz	GVVIIYCTCTZKSQ-WIYYLYMNSA-N	-1	0	501.655	3.114	1	0		KGAFRM
O=C([O-])CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2	ZINC000473086248	562897064	/nfs/dbraw/zinc/89/70/64/562897064.db2.gz	BGZNIXFHOSDNBY-ZETCQYMHSA-N	-1	0	520.203	3.087	1	0		KGAFRM
CCn1cc(C(=O)NCCCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c(=O)c2ccc(C)nc21	ZINC000473087908	562897222	/nfs/dbraw/zinc/89/72/22/562897222.db2.gz	MFIZSVXUZYPEDU-UHFFFAOYSA-N	-1	0	630.677	3.071	1	0		KGAFRM
O=C(Nc1ccc(I)cc1)C(=O)Nc1ccc(NC(=O)[C@H](c2ccccc2)S(=O)(=O)[O-])cc1	ZINC000473090638	562897563	/nfs/dbraw/zinc/89/75/63/562897563.db2.gz	WYXKKFORWNIOFC-IBGZPJMESA-N	-1	0	579.372	3.436	1	0		KGAFRM
O=C(Nc1ccc(I)cc1)C(=O)Nc1ccc(NC(=O)[C@@H](c2ccccc2)S(=O)(=O)[O-])cc1	ZINC000473090645	562897570	/nfs/dbraw/zinc/89/75/70/562897570.db2.gz	WYXKKFORWNIOFC-LJQANCHMSA-N	-1	0	579.372	3.436	1	0		KGAFRM
CC[NH+](CC)CCNC(=O)N=c1nc2ccc(-c3cnc(OC)c([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)cn2[n-]1	ZINC000473097904	562897947	/nfs/dbraw/zinc/89/79/47/562897947.db2.gz	DHJDUPOSBIQOLR-UHFFFAOYSA-N	-1	0	573.079	3.139	1	0		KGAFRM
COc1ccc2c(c1OCCCS(=O)(=O)[O-])C(=O)O[C@@H]2[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C	ZINC000473101955	562898072	/nfs/dbraw/zinc/89/80/72/562898072.db2.gz	LEZACTMJHHYDNF-MOPGFXCFSA-N	-1	0	600.440	3.292	1	0		KGAFRM
COc1ncc(-c2ccc3nc(NC(=O)NCCN4CCOCC4)sc3n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000473112713	562898733	/nfs/dbraw/zinc/89/87/33/562898733.db2.gz	GCCYGPNWMFOFLT-UHFFFAOYSA-N	-1	0	587.659	3.156	1	0		KGAFRM
CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4c(C(=O)NCCN5CCOCC5)csc4n3)cc2)[nH]o1	ZINC000473113090	562898749	/nfs/dbraw/zinc/89/87/49/562898749.db2.gz	HPGYZALSHPCTBC-UHFFFAOYSA-N	-1	0	537.646	3.476	1	0		KGAFRM
CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](Cc1ccc(N)nc1)C(=O)[O-]	ZINC000473113277	562898779	/nfs/dbraw/zinc/89/87/79/562898779.db2.gz	IHZPIKIYQNIWSX-DGEKGCECSA-N	-1	0	513.683	3.459	1	0		KGAFRM
CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@H](Cc1ccc(N)nc1)C(=O)[O-]	ZINC000473113278	562898790	/nfs/dbraw/zinc/89/87/90/562898790.db2.gz	IHZPIKIYQNIWSX-IRSJDDIFSA-N	-1	0	513.683	3.459	1	0		KGAFRM
CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(=O)[O-]	ZINC000473113279	562898777	/nfs/dbraw/zinc/89/87/77/562898777.db2.gz	IHZPIKIYQNIWSX-OHHOVWNZSA-N	-1	0	513.683	3.459	1	0		KGAFRM
CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](Cc1ccc(N)nc1)C(=O)[O-]	ZINC000473113280	562898793	/nfs/dbraw/zinc/89/87/93/562898793.db2.gz	IHZPIKIYQNIWSX-VGOMJOASSA-N	-1	0	513.683	3.459	1	0		KGAFRM
C[C@@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000473114390	562898941	/nfs/dbraw/zinc/89/89/41/562898941.db2.gz	NKPVRTWQORIERS-ROUUACIJSA-N	-1	0	594.596	3.140	1	0		KGAFRM
C[C@H](OC(=O)[C@H](C)NC(=O)c1ccccc1)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000473114391	562898943	/nfs/dbraw/zinc/89/89/43/562898943.db2.gz	NKPVRTWQORIERS-ZWKOTPCHSA-N	-1	0	594.596	3.140	1	0		KGAFRM
Cc1cc([N-]S(=O)(=O)c2ccc3ncc(C(N)=O)c(Nc4ccc(Br)cc4)c3c2)no1	ZINC000473121206	562899445	/nfs/dbraw/zinc/89/94/45/562899445.db2.gz	GGJRRBMOAPIHIU-UHFFFAOYSA-N	-1	0	502.350	3.359	1	0		KGAFRM
CCn1cc(C(=O)NCCCC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4C3CC3)CC2)c(=O)c2cc3c(cc21)OCO3	ZINC000473131254	562900140	/nfs/dbraw/zinc/90/01/40/562900140.db2.gz	NHELESDTIRKQSP-UHFFFAOYSA-N	-1	0	659.671	3.096	1	0		KGAFRM
CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3CC)CC1	ZINC000473133134	562900385	/nfs/dbraw/zinc/90/03/85/562900385.db2.gz	YBEOMDMMDCTJII-VKGTZQKMSA-N	-1	0	646.720	3.390	1	0		KGAFRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(Br)cc2)C1=O	ZINC000473145939	562901328	/nfs/dbraw/zinc/90/13/28/562901328.db2.gz	BVQQMNVTBQDWDK-VXKWHMMOSA-N	-1	0	556.438	3.028	1	0		KGAFRM
O=C([N-]S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccnc(F)c3)cc2)C1=O	ZINC000473151578	562901645	/nfs/dbraw/zinc/90/16/45/562901645.db2.gz	QPJZHZFBBQOUOE-UIOOFZCWSA-N	-1	0	572.618	3.467	1	0		KGAFRM
CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000473153073	562901922	/nfs/dbraw/zinc/90/19/22/562901922.db2.gz	YEOULXRAZBWLID-XMMPIXPASA-N	-1	0	534.613	3.436	1	0		KGAFRM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](n2cc(-c3ccccc3)nn2)C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000474608521	562905471	/nfs/dbraw/zinc/90/54/71/562905471.db2.gz	MLPQYCLGRDEFMQ-WZQFQANOSA-N	-1	0	721.881	3.362	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4cc(Br)ccc4O)CC3)cc21	ZINC000653699401	562907263	/nfs/dbraw/zinc/90/72/63/562907263.db2.gz	HZQOQUAYXWXADG-UHFFFAOYSA-N	-1	0	518.339	3.289	1	0		KGAFRM
CN1CCN(C(=O)Nc2ccc(C[C@H](NC(=O)/C=C/c3c(F)c(Cl)ccc3-n3cnnn3)C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)CC1	ZINC000653705301	562907667	/nfs/dbraw/zinc/90/76/67/562907667.db2.gz	HXXPVILFSJCGAF-ITMPFJHPSA-N	-1	0	676.109	3.312	1	0		KGAFRM
CN1CCN(C(=O)Nc2ccc(C[C@H](NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)C(=O)Nc3ccc(C(=O)[O-])cc3)cc2)CC1	ZINC000653705326	562907718	/nfs/dbraw/zinc/90/77/18/562907718.db2.gz	NWILZYMDURQVEC-PEOFMFGLSA-N	-1	0	658.119	3.173	1	0		KGAFRM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CSCC3)cn1	ZINC000653709123	562908045	/nfs/dbraw/zinc/90/80/45/562908045.db2.gz	JPELOJFIFDHVQD-UHFFFAOYSA-N	-1	0	547.062	3.328	1	0		KGAFRM
COc1c(NC(=O)C(=O)c2ccc(OCCNC(=O)CC(=O)[O-])c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O	ZINC000653736130	562909702	/nfs/dbraw/zinc/90/97/02/562909702.db2.gz	OZJDWBGEXPTAJH-UHFFFAOYSA-N	-1	0	599.662	3.309	1	0		KGAFRM
CCC(=O)N(C[C@H]1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1	ZINC000653759944	562911203	/nfs/dbraw/zinc/91/12/03/562911203.db2.gz	HZHZYPWUASGOMR-KDAKBFSJSA-N	-1	0	685.822	3.034	1	0		KGAFRM
CCC(=O)N(C[C@@H]1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])c1ccccc1	ZINC000653759945	562911213	/nfs/dbraw/zinc/91/12/13/562911213.db2.gz	HZHZYPWUASGOMR-XZOOJWKTSA-N	-1	0	685.822	3.034	1	0		KGAFRM
Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]c(C(=O)[O-])cc4c3)nc21	ZINC000653782715	562912215	/nfs/dbraw/zinc/91/22/15/562912215.db2.gz	GCPYOKZTSCSAKX-UHFFFAOYSA-N	-1	0	511.466	3.363	1	0		KGAFRM
Cc1cc(=O)oc2c1cc(-c1nn(-c3ccc(C(N)=O)cc3)cc1C=O)c([O-])c2-c1nn(-c2ccc(C(N)=O)cc2)cc1C=O	ZINC000653782740	562912221	/nfs/dbraw/zinc/91/22/21/562912221.db2.gz	MGOLRMUYACMJFR-UHFFFAOYSA-N	-1	0	602.563	3.335	1	0		KGAFRM
C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)(C)C)c1ccc(OP(=O)([O-])[O-])cc1	ZINC000653788003	562912514	/nfs/dbraw/zinc/91/25/14/562912514.db2.gz	HCWRVMICZIZBKT-QJOZTHNQSA-N	-1	0	557.584	3.400	1	0		KGAFRM
COC(=O)N(CC(=O)[O-])Cc1cc(OCc2nc(-c3ccc(S(C)(=O)=O)cc3)oc2C)ccc1F	ZINC000653822848	562914218	/nfs/dbraw/zinc/91/42/18/562914218.db2.gz	VTQJOGORTCKCOY-UHFFFAOYSA-N	-1	0	506.508	3.425	1	0		KGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NCc4cc(Cl)cc(Cl)c4)CC3)nc21	ZINC000653825397	562914393	/nfs/dbraw/zinc/91/43/93/562914393.db2.gz	MKYWYFVGDGKOBW-UHFFFAOYSA-N	-1	0	521.430	3.013	1	0		KGAFRM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(NCc3ccccc3)OCc3cccc(F)c3)O2)cc1F	ZINC000653875555	562916629	/nfs/dbraw/zinc/91/66/29/562916629.db2.gz	XAIAHHJSODZSNY-FESXGPQGSA-N	-1	0	523.429	3.007	1	0		KGAFRM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(NCc3ccccc3)OCc3cccc(F)c3)O2)cc1F	ZINC000653875556	562916640	/nfs/dbraw/zinc/91/66/40/562916640.db2.gz	XAIAHHJSODZSNY-LDNGWJHISA-N	-1	0	523.429	3.007	1	0		KGAFRM
Cc1ccc(CO[P@@](=O)(NCc2ccccc2)OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)cc1	ZINC000653887547	562917062	/nfs/dbraw/zinc/91/70/62/562917062.db2.gz	PDSHWQLVEZYJSF-CBRVWVTRSA-N	-1	0	519.466	3.176	1	0		KGAFRM
Cc1ccc(CO[P@](=O)(NCc2ccccc2)OC[C@H]2O[C@@H](n3cc(F)c(=O)[nH]c3=O)C[C@@H]2O)cc1	ZINC000653887550	562917087	/nfs/dbraw/zinc/91/70/87/562917087.db2.gz	PDSHWQLVEZYJSF-VOTWIEJMSA-N	-1	0	519.466	3.176	1	0		KGAFRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Br)cc3)cc2)nn1	ZINC000003096208	561681480	/nfs/dbraw/zinc/68/14/80/561681480.db2.gz	HSBQWIHPFDSVIY-UHFFFAOYSA-N	-1	0	522.406	3.175	3	0		KGAFRM
O=C(Cn1cc(COc2ccc(-n3cccc3)cc2)nn1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000061929974	562703651	/nfs/dbraw/zinc/70/36/51/562703651.db2.gz	BOXJMQBKHCYQQV-UHFFFAOYSA-N	-1	0	505.478	3.172	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O	ZINC000064468994	562705804	/nfs/dbraw/zinc/70/58/04/562705804.db2.gz	QGCDGVHOEZPIJW-HOOSLVGPSA-N	-1	0	611.739	3.229	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O	ZINC000064573323	562708678	/nfs/dbraw/zinc/70/86/78/562708678.db2.gz	WKYLJDRGUWGTNZ-LZCXECNNSA-N	-1	0	587.720	3.028	3	0		KGAFRM
COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)S(=O)(=O)c2cccs2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1	ZINC000064587540	562708792	/nfs/dbraw/zinc/70/87/92/562708792.db2.gz	FRMOMYIPMMJEFV-XLNZFTOWSA-N	-1	0	623.775	3.098	3	0		KGAFRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1ccc3c(c1)OCO3)O2	ZINC000066139117	562713404	/nfs/dbraw/zinc/71/34/04/562713404.db2.gz	LWFGOMOVRAOIRH-PAPQREIWSA-N	-1	0	629.692	3.205	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O	ZINC000066156835	562713837	/nfs/dbraw/zinc/71/38/37/562713837.db2.gz	WYMRDIGJDJMKLL-XLNZFTOWSA-N	-1	0	593.749	3.090	3	0		KGAFRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](C[N@H+](C)Cc1ccc(C(=O)[O-])cc1)O2	ZINC000066156965	562713874	/nfs/dbraw/zinc/71/38/74/562713874.db2.gz	GQQIDPYMWGUYFW-CUAXAMRHSA-N	-1	0	600.694	3.143	3	0		KGAFRM
Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000066167147	562714282	/nfs/dbraw/zinc/71/42/82/562714282.db2.gz	SRKCEMBSQANSEK-JIQFQSSQSA-N	-1	0	604.686	3.081	3	0		KGAFRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC1CCCCC1)O2	ZINC000066167241	562714310	/nfs/dbraw/zinc/71/43/10/562714310.db2.gz	HEPDUKTZTBPNJC-YYULODDRSA-N	-1	0	591.731	3.286	3	0		KGAFRM
COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)C(=O)Nc2c(C)noc2C)[C@@H](C)CN([C@H](C)CO)C3=O)cc1	ZINC000072120554	562724119	/nfs/dbraw/zinc/72/41/19/562724119.db2.gz	PNSFUTWOPPXSCO-YYULODDRSA-N	-1	0	615.709	3.485	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O	ZINC000072121418	562724269	/nfs/dbraw/zinc/72/42/69/562724269.db2.gz	IWXBPKNLJDGCTB-GNBJCERTSA-N	-1	0	623.700	3.306	3	0		KGAFRM
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1	ZINC000072134837	562727336	/nfs/dbraw/zinc/72/73/36/562727336.db2.gz	XUFNCPGCYSAEMJ-XMERXJNXSA-N	-1	0	637.802	3.027	3	0		KGAFRM
COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1	ZINC000072137803	562728426	/nfs/dbraw/zinc/72/84/26/562728426.db2.gz	KTRUNVNRJNVDIN-SEXOINJZSA-N	-1	0	635.736	3.176	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O	ZINC000072141023	562729266	/nfs/dbraw/zinc/72/92/66/562729266.db2.gz	XLPIRYHQNYTMMW-YCRNBWNJSA-N	-1	0	593.749	3.090	3	0		KGAFRM
COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1	ZINC000095566376	562764936	/nfs/dbraw/zinc/76/49/36/562764936.db2.gz	LPGYQMOCGVTLEG-BALWLHIASA-N	-1	0	647.772	3.045	3	0		KGAFRM
COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)S(=O)(=O)c2ccccc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1	ZINC000095566859	562765288	/nfs/dbraw/zinc/76/52/88/562765288.db2.gz	FKANFRXLPYFSCC-FYQCMVGJSA-N	-1	0	617.746	3.037	3	0		KGAFRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1ccccc1)O2	ZINC000095567268	562765639	/nfs/dbraw/zinc/76/56/39/562765639.db2.gz	PSBSZQAZJWNTEX-YYULODDRSA-N	-1	0	585.683	3.476	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O	ZINC000095569741	562767688	/nfs/dbraw/zinc/76/76/88/562767688.db2.gz	UVXAFLJBJDTYHD-OUDXUNEISA-N	-1	0	605.710	3.167	3	0		KGAFRM
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000095570118	562767982	/nfs/dbraw/zinc/76/79/82/562767982.db2.gz	ASACCXNRXFTEDW-OSWQYVSFSA-N	-1	0	623.775	3.098	3	0		KGAFRM
Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2C(=O)N([C@H](C)CO)C[C@H]1C	ZINC000095571256	562768902	/nfs/dbraw/zinc/76/89/02/562768902.db2.gz	SRKCEMBSQANSEK-WBPRFABPSA-N	-1	0	604.686	3.081	3	0		KGAFRM
COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3c([N-]S(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1	ZINC000095600711	562779165	/nfs/dbraw/zinc/77/91/65/562779165.db2.gz	RORUMXQAKLPRFW-ASHZAFPQSA-N	-1	0	635.736	3.176	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O	ZINC000095605136	562781407	/nfs/dbraw/zinc/78/14/07/562781407.db2.gz	ZCWKABOOQHCRBT-YZZKKUAISA-N	-1	0	611.739	3.229	3	0		KGAFRM
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O	ZINC000095834623	562789369	/nfs/dbraw/zinc/78/93/69/562789369.db2.gz	WEVSNBNXLYPENB-YCRNBWNJSA-N	-1	0	593.749	3.090	3	0		KGAFRM