smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cc1cccc2c(=O)c(S(=O)(=O)N=C([O-])Nc3ccc(Cl)cc3)c(-c3ccccc3)oc12	ZINC000001643613	561678135	/nfs/dbraw/zinc/67/81/35/561678135.db2.gz	FOPWGLHHUGBPRV-UHFFFAOYSA-N	-1	1	526.954	4.544	1	30		KJEFMM
COC(=O)Cc1cccc2c(=O)c(S(=O)(=O)[N-]C(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)oc12	ZINC000001643613	561678134	/nfs/dbraw/zinc/67/81/34/561678134.db2.gz	FOPWGLHHUGBPRV-UHFFFAOYSA-N	-1	1	526.954	4.544	1	30		KJEFMM
CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(CN2CCN(C)C2=O)cc1	ZINC000003959364	561691094	/nfs/dbraw/zinc/69/10/94/561691094.db2.gz	RKRDUKYCQKZKPQ-UHFFFAOYSA-N	-1	1	507.678	4.900	1	30		KJEFMM
CCCCc1nc(SC)c(CO)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C([O-])NCCC)cc1	ZINC000013741882	561726255	/nfs/dbraw/zinc/72/62/55/561726255.db2.gz	YCIMKUOFLRTIJJ-UHFFFAOYSA-N	-1	1	530.716	4.758	1	30		KJEFMM
CCCCc1nc(SC)c(CO)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)NCCC)cc1	ZINC000013741882	561726254	/nfs/dbraw/zinc/72/62/54/561726254.db2.gz	YCIMKUOFLRTIJJ-UHFFFAOYSA-N	-1	1	530.716	4.758	1	30		KJEFMM
Cc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c(C(C)(C)C)c1	ZINC000013747495	561726984	/nfs/dbraw/zinc/72/69/84/561726984.db2.gz	NKAJMHPRXJBMAQ-PMACEKPBSA-N	-1	1	510.697	4.788	1	30		KJEFMM
Cc1cc(C(C)(C)C)c(OC(=O)[N-]S(=O)(=O)N(C[C@H]2CCCO2)C[C@@H]2CCCO2)c(C(C)(C)C)c1	ZINC000013747499	561726966	/nfs/dbraw/zinc/72/69/66/561726966.db2.gz	NKAJMHPRXJBMAQ-BGYRXZFFSA-N	-1	1	510.697	4.788	1	30		KJEFMM
CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)C[C@@H](O)[C@H](O)[C@H]1O)OC	ZINC000014127874	561736780	/nfs/dbraw/zinc/73/67/80/561736780.db2.gz	GJZGRYXGQBWBEB-AVMFAVRISA-N	-1	1	584.728	4.629	1	30		KJEFMM
COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000017654151	561757266	/nfs/dbraw/zinc/75/72/66/561757266.db2.gz	RSLLPCOVZXBBOB-YADHBBJMSA-N	-1	1	536.375	4.961	1	30		KJEFMM
COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC([O-])=NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000017654151	561757265	/nfs/dbraw/zinc/75/72/65/561757265.db2.gz	RSLLPCOVZXBBOB-YADHBBJMSA-N	-1	1	536.375	4.961	1	30		KJEFMM
COc1ccc2c(c1)C(=O)[C@H](OC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)[C@@H](c1ccc(OC)c(Br)c1)O2	ZINC000017654153	561757263	/nfs/dbraw/zinc/75/72/63/561757263.db2.gz	TVUWPLSPRQDURD-PKTZIBPZSA-N	-1	1	580.384	4.610	1	30		KJEFMM
COc1ccc2c(c1)C(=O)[C@H](OC([O-])=NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1ccc(OC)c(Br)c1)O2	ZINC000017654153	561757262	/nfs/dbraw/zinc/75/72/62/561757262.db2.gz	TVUWPLSPRQDURD-PKTZIBPZSA-N	-1	1	580.384	4.610	1	30		KJEFMM
COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000017654155	561757219	/nfs/dbraw/zinc/75/72/19/561757219.db2.gz	JTBSLKVQKHSMIE-XZOQPEGZSA-N	-1	1	546.395	4.771	1	30		KJEFMM
COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC([O-])=NS(=O)(=O)c2ccc(C)cc2)c1	ZINC000017654155	561757218	/nfs/dbraw/zinc/75/72/18/561757218.db2.gz	JTBSLKVQKHSMIE-XZOQPEGZSA-N	-1	1	546.395	4.771	1	30		KJEFMM
COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000017654159	561757182	/nfs/dbraw/zinc/75/71/82/561757182.db2.gz	BRBPPXYXMQXZDA-FCHUYYIVSA-N	-1	1	550.358	4.601	1	30		KJEFMM
COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N=S(=O)([O-])c2ccc(F)cc2)c1	ZINC000017654159	561757180	/nfs/dbraw/zinc/75/71/80/561757180.db2.gz	BRBPPXYXMQXZDA-FCHUYYIVSA-N	-1	1	550.358	4.601	1	30		KJEFMM
COc1ccc2c(c1)C(=O)[C@H](OC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)[C@@H](c1ccc(OC)c(Br)c1)O2	ZINC000017654161	561757256	/nfs/dbraw/zinc/75/72/56/561757256.db2.gz	FQSGLLNICMDDKT-RPWUZVMVSA-N	-1	1	576.421	4.779	1	30		KJEFMM
COc1ccc2c(c1)C(=O)[C@H](OC([O-])=NS(=O)(=O)c1ccc(C)cc1)[C@@H](c1ccc(OC)c(Br)c1)O2	ZINC000017654161	561757255	/nfs/dbraw/zinc/75/72/55/561757255.db2.gz	FQSGLLNICMDDKT-RPWUZVMVSA-N	-1	1	576.421	4.779	1	30		KJEFMM
COc1ccc2c(c1)C(=O)[C@@H](OC(=O)[N-]S(=O)(=O)c1ccc(F)cc1)[C@H](c1ccc(OC)c(Br)c1)O2	ZINC000017654165	561757240	/nfs/dbraw/zinc/75/72/40/561757240.db2.gz	TVUWPLSPRQDURD-XZOQPEGZSA-N	-1	1	580.384	4.610	1	30		KJEFMM
COc1ccc2c(c1)C(=O)[C@@H](OC([O-])=NS(=O)(=O)c1ccc(F)cc1)[C@H](c1ccc(OC)c(Br)c1)O2	ZINC000017654165	561757239	/nfs/dbraw/zinc/75/72/39/561757239.db2.gz	TVUWPLSPRQDURD-XZOQPEGZSA-N	-1	1	580.384	4.610	1	30		KJEFMM
CCCNC(O)=NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(SC)c2C(=O)[O-])cc1	ZINC000026167823	561769512	/nfs/dbraw/zinc/76/95/12/561769512.db2.gz	LJUHMEDWYHTVAZ-UHFFFAOYSA-N	-1	1	530.672	4.573	1	30		KJEFMM
Cc1cc(SC2=C([O-])C[C@](C)(CCc3ccc(O)cc3)OC2=O)c(C(C)(C)C)cc1OS(N)(=O)=O	ZINC000026284244	561779562	/nfs/dbraw/zinc/77/95/62/561779562.db2.gz	OWOBVWSJMXZCLT-VWLOTQADSA-N	-1	1	521.657	4.781	1	30		KJEFMM
Cc1cc(SC2=C([O-])C[C@@](C)(CCc3ccc(O)cc3)OC2=O)c(C(C)(C)C)cc1OS(N)(=O)=O	ZINC000026284249	561779509	/nfs/dbraw/zinc/77/95/09/561779509.db2.gz	OWOBVWSJMXZCLT-RUZDIDTESA-N	-1	1	521.657	4.781	1	30		KJEFMM
CCCCc1nc(Cl)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026399706	561787935	/nfs/dbraw/zinc/78/79/35/561787935.db2.gz	YNYPCTURURSNKV-UHFFFAOYSA-N	-1	1	533.050	4.895	1	30		KJEFMM
CCCCc1nc(SC)c(C(=O)NC(C)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C([O-])NCCC)cc1	ZINC000026401378	561788433	/nfs/dbraw/zinc/78/84/33/561788433.db2.gz	UNSMSDQGJUKQIP-UHFFFAOYSA-N	-1	1	585.752	4.542	1	30		KJEFMM
CCCCc1nc(SC)c(C(=O)NC(C)=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)NCCC)cc1	ZINC000026401378	561788432	/nfs/dbraw/zinc/78/84/32/561788432.db2.gz	UNSMSDQGJUKQIP-UHFFFAOYSA-N	-1	1	585.752	4.542	1	30		KJEFMM
CCCCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026402036	561788671	/nfs/dbraw/zinc/78/86/71/561788671.db2.gz	DKCCTYVLJMSFOG-UHFFFAOYSA-N	-1	1	544.699	4.963	1	30		KJEFMM
CCCCc1nc(SCCCO)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCCC)cc1	ZINC000026474552	561790805	/nfs/dbraw/zinc/79/08/05/561790805.db2.gz	NWENJCYAQGQXND-UHFFFAOYSA-N	-1	1	588.752	4.716	1	30		KJEFMM
CCCCc1nc(SC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C([O-])NCCC)cc1	ZINC000026481565	561791802	/nfs/dbraw/zinc/79/18/02/561791802.db2.gz	IBDSUWYKDBAYOC-UHFFFAOYSA-N	-1	1	557.742	4.625	1	30		KJEFMM
CCCCc1nc(SC)c(C(=O)NC)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)NCCC)cc1	ZINC000026481565	561791801	/nfs/dbraw/zinc/79/18/01/561791801.db2.gz	IBDSUWYKDBAYOC-UHFFFAOYSA-N	-1	1	557.742	4.625	1	30		KJEFMM
CCCc1nc(SC)c([C@@](C)(O)C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026577571	561801934	/nfs/dbraw/zinc/80/19/34/561801934.db2.gz	QFCPLKARNPDAKF-WJOKGBTCSA-N	-1	1	622.769	4.957	1	30		KJEFMM
CCCc1nc(SC)c([C@](C)(O)C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026577572	561801976	/nfs/dbraw/zinc/80/19/76/561801976.db2.gz	QFCPLKARNPDAKF-HKBQPEDESA-N	-1	1	622.769	4.957	1	30		KJEFMM
CCCc1nc(SC)c([C@@H](O)C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026577573	561801893	/nfs/dbraw/zinc/80/18/93/561801893.db2.gz	ABGUYQYTMFLCKQ-HHHXNRCGSA-N	-1	1	608.742	4.783	1	30		KJEFMM
CCCc1nc(SC)c([C@H](O)C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026577574	561801917	/nfs/dbraw/zinc/80/19/17/561801917.db2.gz	ABGUYQYTMFLCKQ-MHZLTWQESA-N	-1	1	608.742	4.783	1	30		KJEFMM
CCc1nc(SC)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C(O)NCc2ccccc2)cc1	ZINC000026578067	561802565	/nfs/dbraw/zinc/80/25/65/561802565.db2.gz	KYGBOCYDBOVFPA-UHFFFAOYSA-N	-1	1	564.689	4.973	1	30		KJEFMM
CCCCc1nc(SC)c(C(=O)n2cnnn2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C([O-])NCc2ccccc2)cc1	ZINC000026578398	561803193	/nfs/dbraw/zinc/80/31/93/561803193.db2.gz	IHQDLRAWURDTLV-UHFFFAOYSA-N	-1	1	644.783	4.730	1	30		KJEFMM
CCCCc1nc(SC)c(C(=O)n2cnnn2)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)NCc2ccccc2)cc1	ZINC000026578398	561803192	/nfs/dbraw/zinc/80/31/92/561803192.db2.gz	IHQDLRAWURDTLV-UHFFFAOYSA-N	-1	1	644.783	4.730	1	30		KJEFMM
CCCCc1nc(SC)c([C@@H](O)n2cnnn2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C([O-])NCc2ccccc2)cc1	ZINC000026578736	561803687	/nfs/dbraw/zinc/80/36/87/561803687.db2.gz	QFTYDKMPIJFGCE-SSEXGKCCSA-N	-1	1	646.799	4.581	1	30		KJEFMM
CCCCc1nc(SC)c([C@@H](O)n2cnnn2)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)NCc2ccccc2)cc1	ZINC000026578736	561803686	/nfs/dbraw/zinc/80/36/86/561803686.db2.gz	QFTYDKMPIJFGCE-SSEXGKCCSA-N	-1	1	646.799	4.581	1	30		KJEFMM
CCCCc1nc(SC)c([C@H](O)n2cnnn2)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C([O-])NCc2ccccc2)cc1	ZINC000026578737	561803646	/nfs/dbraw/zinc/80/36/46/561803646.db2.gz	QFTYDKMPIJFGCE-PMERELPUSA-N	-1	1	646.799	4.581	1	30		KJEFMM
CCCCc1nc(SC)c([C@H](O)n2cnnn2)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)NCc2ccccc2)cc1	ZINC000026578737	561803645	/nfs/dbraw/zinc/80/36/45/561803645.db2.gz	QFTYDKMPIJFGCE-PMERELPUSA-N	-1	1	646.799	4.581	1	30		KJEFMM
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSC/C(=N/[O-])c1ccc(-c2ccccc2)cc1)C(=O)NO	ZINC000027083812	561835805	/nfs/dbraw/zinc/83/58/05/561835805.db2.gz	AKTJRXDVEGELFG-MWJUFFEOSA-N	-1	1	604.773	4.523	1	30		KJEFMM
COc1ccc(S(=O)(=O)N=C([O-])NCc2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1	ZINC000027552815	561868487	/nfs/dbraw/zinc/86/84/87/561868487.db2.gz	FVZNTNOPLODURQ-UHFFFAOYSA-N	-1	1	565.598	4.963	1	30		KJEFMM
COc1ccc(S(=O)(=O)[N-]C(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccc(F)cc2F)cc1	ZINC000027552815	561868485	/nfs/dbraw/zinc/86/84/85/561868485.db2.gz	FVZNTNOPLODURQ-UHFFFAOYSA-N	-1	1	565.598	4.963	1	30		KJEFMM
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N=C([O-])NC2CCCCC2)cc1)c1ccccc1N1CCCCC1	ZINC000027618031	561872126	/nfs/dbraw/zinc/87/21/26/561872126.db2.gz	GGESKJMNDSLNRV-OAQYLSRUSA-N	-1	1	526.703	4.622	1	30		KJEFMM
C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1)c1ccccc1N1CCCCC1	ZINC000027618031	561872125	/nfs/dbraw/zinc/87/21/25/561872125.db2.gz	GGESKJMNDSLNRV-OAQYLSRUSA-N	-1	1	526.703	4.622	1	30		KJEFMM
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N=C([O-])NC2CCCCC2)cc1)c1ccccc1N1CCCCC1	ZINC000027618036	561872153	/nfs/dbraw/zinc/87/21/53/561872153.db2.gz	GGESKJMNDSLNRV-NRFANRHFSA-N	-1	1	526.703	4.622	1	30		KJEFMM
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)[N-]C(=O)NC2CCCCC2)cc1)c1ccccc1N1CCCCC1	ZINC000027618036	561872151	/nfs/dbraw/zinc/87/21/51/561872151.db2.gz	GGESKJMNDSLNRV-NRFANRHFSA-N	-1	1	526.703	4.622	1	30		KJEFMM
CCCCc1nc2ccc(C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)c2nn[nH]n2)cc1	ZINC000027887631	561889597	/nfs/dbraw/zinc/88/95/97/561889597.db2.gz	ORSDLSAPUWBBJP-UHFFFAOYSA-N	-1	1	585.690	4.784	1	30		KJEFMM
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc32)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1nn[n-]n1	ZINC000028649101	561945591	/nfs/dbraw/zinc/94/55/91/561945591.db2.gz	RUNRLBJGQOMDJY-LSSONSMQSA-N	-1	1	710.836	4.929	1	30		KJEFMM
COc1cc(C=CC(=O)c2ccc(NC([O-])=NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	ZINC000028712212	561952803	/nfs/dbraw/zinc/95/28/03/561952803.db2.gz	KNFALBWNQKEMEK-YIXHJXPBSA-N	-1	1	530.986	4.977	1	30		KJEFMM
COc1cc(C=CC(=O)c2ccc(NC(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC	ZINC000028712212	561952802	/nfs/dbraw/zinc/95/28/02/561952802.db2.gz	KNFALBWNQKEMEK-YIXHJXPBSA-N	-1	1	530.986	4.977	1	30		KJEFMM
COc1cc(C=CC(=O)c2ccc(NC([O-])=NS(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	ZINC000028712223	561952830	/nfs/dbraw/zinc/95/28/30/561952830.db2.gz	UUUWRTSLTWFVHX-VGOFMYFVSA-N	-1	1	510.568	4.632	1	30		KJEFMM
COc1cc(C=CC(=O)c2ccc(NC(=O)[N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC	ZINC000028712223	561952829	/nfs/dbraw/zinc/95/28/29/561952829.db2.gz	UUUWRTSLTWFVHX-VGOFMYFVSA-N	-1	1	510.568	4.632	1	30		KJEFMM
CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(C(=O)c2nccn2C)cc1	ZINC000036414564	562060607	/nfs/dbraw/zinc/06/06/07/562060607.db2.gz	RFLIREKKSWWLCP-UHFFFAOYSA-N	-1	1	503.646	4.998	1	30		KJEFMM
CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(CN2C(=O)CCC2=O)c1	ZINC000036476395	562061012	/nfs/dbraw/zinc/06/10/12/562061012.db2.gz	FEXQGBIWZJBQEB-UHFFFAOYSA-N	-1	1	506.646	4.682	1	30		KJEFMM
CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(C(=O)c2ccnn2C)cc1	ZINC000038750018	562072318	/nfs/dbraw/zinc/07/23/18/562072318.db2.gz	JFWXTKDXKPWLIL-UHFFFAOYSA-N	-1	1	503.646	4.998	1	30		KJEFMM
CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(C(=O)N2CCOCC2)cc1	ZINC000040935183	562084987	/nfs/dbraw/zinc/08/49/87/562084987.db2.gz	CJPBBWUYRIIFRL-UHFFFAOYSA-N	-1	1	508.662	4.505	1	30		KJEFMM
CCCCCCCCCC(=O)N[C@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)[C@H](O)C[P@](=O)([O-])O	ZINC000043569552	562649844	/nfs/dbraw/zinc/64/98/44/562649844.db2.gz	HNKBUFKKHUYBIM-XNMGPUDCSA-N	-1	1	564.660	4.993	1	30		KJEFMM
CCCCCCCCCC(=O)N[C@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)[C@@H](O)C[P@](=O)([O-])O	ZINC000043569555	562649841	/nfs/dbraw/zinc/64/98/41/562649841.db2.gz	HNKBUFKKHUYBIM-VPUSJEBWSA-N	-1	1	564.660	4.993	1	30		KJEFMM
CCCCCCCCOC[C@H](COP(=O)([O-])OCC[NH3+])O[P@](=O)([O-])OCCCCCCC	ZINC000044201750	562652580	/nfs/dbraw/zinc/65/25/80/562652580.db2.gz	XTDQGAAKHGHXGP-HXUWFJFHSA-N	-1	1	505.526	4.928	1	30		KJEFMM
CCCCCCCCOC[C@H](COP(=O)([O-])OCC[NH3+])O[P@@](=O)([O-])OCCCCCCC	ZINC000044201750	562652579	/nfs/dbraw/zinc/65/25/79/562652579.db2.gz	XTDQGAAKHGHXGP-HXUWFJFHSA-N	-1	1	505.526	4.928	1	30		KJEFMM
CCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[NH3+])OP(=O)([O-])OCCCCCCC	ZINC000044201750	562652578	/nfs/dbraw/zinc/65/25/78/562652578.db2.gz	XTDQGAAKHGHXGP-HXUWFJFHSA-N	-1	1	505.526	4.928	1	30		KJEFMM
CCCCCCCCCCCCCCCCOCCCCO[P@](=O)([O-])C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000044352315	562655090	/nfs/dbraw/zinc/65/50/90/562655090.db2.gz	FNXUCTLLYCUGIC-XDZVQPMWSA-N	-1	1	524.676	4.948	1	30		KJEFMM
O=S(=O)(c1cccc(Cl)c1F)N(CCC([O-])(C(F)(F)F)C(F)(F)F)Cc1cccc(O)c1	ZINC000045324898	562661207	/nfs/dbraw/zinc/66/12/07/562661207.db2.gz	LADZTEORLMVQFR-UHFFFAOYSA-N	-1	1	509.827	4.621	1	30		KJEFMM
COc1ccc(-c2sc(S(=O)(=O)[N-]C(=O)Nc3ncc(Br)s3)cc2C)c(C)c1	ZINC000045335411	562661410	/nfs/dbraw/zinc/66/14/10/562661410.db2.gz	KCBMMYUZSJZEEC-UHFFFAOYSA-N	-1	1	502.437	4.974	1	30		KJEFMM
COc1ccc(-c2sc(S(=O)(=O)N=C([O-])Nc3ncc(Br)s3)cc2C)c(C)c1	ZINC000045335411	562661409	/nfs/dbraw/zinc/66/14/09/562661409.db2.gz	KCBMMYUZSJZEEC-UHFFFAOYSA-N	-1	1	502.437	4.974	1	30		KJEFMM
CCCCCCCCCCCCCCCCCC(=O)N(C)C[C@@H](O)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-]	ZINC000049670138	562668247	/nfs/dbraw/zinc/66/82/47/562668247.db2.gz	NOHULNIVDHURHZ-PKTZIBPZSA-N	-1	1	538.663	4.613	1	30		KJEFMM
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OC[C@H](N)C(=O)OC	ZINC000049678586	562668595	/nfs/dbraw/zinc/66/85/95/562668595.db2.gz	IPRPTRPTIFDAEK-PKTZIBPZSA-N	-1	1	539.647	4.786	1	30		KJEFMM
C=CCOc1cc([O-])c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(OCC=C)c(OC)c1)[C@H](CO)O3)c(O)c2=O	ZINC000049694626	562669619	/nfs/dbraw/zinc/66/96/19/562669619.db2.gz	YREVQINXHPMSNI-FREGXXQWSA-N	-1	1	560.555	4.883	1	30		KJEFMM
C=CCOc1cc([O-])c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(OCC=C)c(OC)c1)[C@H](CO)O3)c(O)c2=O	ZINC000049694627	562669612	/nfs/dbraw/zinc/66/96/12/562669612.db2.gz	YREVQINXHPMSNI-YZNIXAGQSA-N	-1	1	560.555	4.883	1	30		KJEFMM
C=CCOc1cc([O-])c2c(c1)oc(-c1ccc3c(c1)O[C@H](c1ccc(OCC=C)c(OC)c1)[C@@H](CO)O3)c(O)c2=O	ZINC000049694628	562669590	/nfs/dbraw/zinc/66/95/90/562669590.db2.gz	YREVQINXHPMSNI-PDDLMNHVSA-N	-1	1	560.555	4.883	1	30		KJEFMM
C=CCOc1cc([O-])c2c(c1)oc(-c1ccc3c(c1)O[C@@H](c1ccc(OCC=C)c(OC)c1)[C@@H](CO)O3)c(O)c2=O	ZINC000049694629	562669582	/nfs/dbraw/zinc/66/95/82/562669582.db2.gz	YREVQINXHPMSNI-VIZCGCQYSA-N	-1	1	560.555	4.883	1	30		KJEFMM
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-]	ZINC000049745116	562673719	/nfs/dbraw/zinc/67/37/19/562673719.db2.gz	ZPDQFUYPBVXUKS-VXKWHMMOSA-N	-1	1	525.620	4.698	1	30		KJEFMM
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OC[C@H]([NH2+]C)C(=O)[O-]	ZINC000049745361	562673804	/nfs/dbraw/zinc/67/38/04/562673804.db2.gz	ULCMSZQKCRKSAI-PKTZIBPZSA-N	-1	1	539.647	4.958	1	30		KJEFMM
CC1(C)CCCN([C@@H]2C[C@@H](C(=O)N[C@@H](Cc3ccc(NC(=O)c4c(Cl)cncc4Cl)cc3)C(=O)[O-])N(S(=O)(=O)c3cccc(C#N)c3)C2)C1	ZINC000049746450	562674404	/nfs/dbraw/zinc/67/44/04/562674404.db2.gz	MOLSBIJQBRSJQZ-MHZHKKNFSA-N	-1	1	727.671	4.578	1	30		KJEFMM
CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[N-]OC(C)(C)C	ZINC000049780271	562681538	/nfs/dbraw/zinc/68/15/38/562681538.db2.gz	GDWQILXWSYXBSX-AFEGWXKPSA-N	-1	1	704.913	4.975	1	30		KJEFMM
CCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[N-]OC(C)(C)C	ZINC000049780316	562681566	/nfs/dbraw/zinc/68/15/66/562681566.db2.gz	VQOWWPJJRDKWEW-AFEGWXKPSA-N	-1	1	720.912	4.680	1	30		KJEFMM
O=C([O-])c1cc(-c2ccc(C=NN=c3nc(Nc4ccc(F)cc4)[nH]c(N4CCOCC4)n3)o2)ccc1Cl	ZINC000049808058	562686511	/nfs/dbraw/zinc/68/65/11/562686511.db2.gz	XWDJOKMXZWOPKA-CCVNUDIWSA-N	-1	1	537.939	4.649	1	30		KJEFMM
COc1c(N2CCC[C@@H](N(C)CCN3c4ccccc4C(=NNc4ccccc4)C3=O)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000058583897	562700185	/nfs/dbraw/zinc/70/01/85/562700185.db2.gz	MUMJPALHSODHBD-BFIVGMOSSA-N	-1	1	634.737	4.807	1	30		KJEFMM
COc1c(N2CCC[C@H](N(C)CCN3C(=O)C(=NNc4ccccc4)c4cc(F)ccc43)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000058598721	562700743	/nfs/dbraw/zinc/70/07/43/562700743.db2.gz	DQWGMGZRNHQANW-ARSIAVLZSA-N	-1	1	652.727	4.946	1	30		KJEFMM
COc1c(N2CCC[C@H](N(C)CCN3c4ccccc4C(=NNc4ccccc4)C3=O)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000064373344	562704841	/nfs/dbraw/zinc/70/48/41/562704841.db2.gz	MUMJPALHSODHBD-OZTTXDQCSA-N	-1	1	634.737	4.807	1	30		KJEFMM
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2cccc(CNS(=O)(=O)[N-]C(=O)N3CCCC3)c2)n1	ZINC000064539021	562707496	/nfs/dbraw/zinc/70/74/96/562707496.db2.gz	FHRDHKHMIBNIGL-UHFFFAOYSA-N	-1	1	574.107	4.811	1	30		KJEFMM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)N=C([O-])NCC2CC2)cc1	ZINC000066079694	562710679	/nfs/dbraw/zinc/71/06/79/562710679.db2.gz	IJVHZVKFYRHKSU-UHFFFAOYSA-N	-1	1	517.655	4.928	1	30		KJEFMM
CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]C(=O)NCC2CC2)cc1	ZINC000066079694	562710678	/nfs/dbraw/zinc/71/06/78/562710678.db2.gz	IJVHZVKFYRHKSU-UHFFFAOYSA-N	-1	1	517.655	4.928	1	30		KJEFMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(NN=Cc3ccc(Cl)cc3)[n-]c(=O)c1[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000066111755	562711848	/nfs/dbraw/zinc/71/18/48/562711848.db2.gz	ZHSVSGJQHMACKT-KKTQFJDNSA-N	-1	1	518.961	4.978	1	30		KJEFMM
CC1(C)CC(=O)C2=C(C1)Nc1nc(NN=Cc3ccc(Cl)cc3)[n-]c(=O)c1[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000066111756	562711865	/nfs/dbraw/zinc/71/18/65/562711865.db2.gz	ZHSVSGJQHMACKT-GJSAATIWSA-N	-1	1	518.961	4.978	1	30		KJEFMM
CNC(=O)/C(CCCCC[C@@H](C(=O)Nc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C)=N\[O-]	ZINC000071318090	562718425	/nfs/dbraw/zinc/71/84/25/562718425.db2.gz	LOHKKXFIKAPRQV-JQYFRXSBSA-N	-1	1	540.661	4.966	1	30		KJEFMM
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2cc([O-])ccc2C(=O)C=Cc2ccc3c(c2)OCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000072170794	562730384	/nfs/dbraw/zinc/73/03/84/562730384.db2.gz	SSXNIFNWHXBDAM-KUKLUTBVSA-N	-1	1	642.617	4.955	1	30		KJEFMM
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2cc([O-])ccc2C(=O)C=Cc2ccc3c(c2)OCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000072170795	562730347	/nfs/dbraw/zinc/73/03/47/562730347.db2.gz	SSXNIFNWHXBDAM-ODSVURBHSA-N	-1	1	642.617	4.955	1	30		KJEFMM
COc1c(N2CCC[C@@H](N(C)CCN3C(=O)C(=NNc4ccccc4)c4cc(F)ccc43)C2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000072184699	562732936	/nfs/dbraw/zinc/73/29/36/562732936.db2.gz	DQWGMGZRNHQANW-LMDULHAQSA-N	-1	1	652.727	4.946	1	30		KJEFMM
CCNC(=O)[N-]S(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C)ccc1Cl	ZINC000072316549	562733099	/nfs/dbraw/zinc/73/30/99/562733099.db2.gz	SLPKOJIFSYDSPG-UHFFFAOYSA-N	-1	1	614.103	4.806	1	30		KJEFMM
CCNC([O-])=NS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(C)ccc1Cl	ZINC000072316549	562733098	/nfs/dbraw/zinc/73/30/98/562733098.db2.gz	SLPKOJIFSYDSPG-UHFFFAOYSA-N	-1	1	614.103	4.806	1	30		KJEFMM
C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)C[P@](=O)([O-])O	ZINC000082165162	562741405	/nfs/dbraw/zinc/74/14/05/562741405.db2.gz	QZBYVCBEPYRXIC-VGZPERKLSA-N	-1	1	690.767	4.972	1	30		KJEFMM
CCCCOC(=O)[N-]S(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(CN(C)C(=O)C(=O)OCC)c1	ZINC000084739914	562752005	/nfs/dbraw/zinc/75/20/05/562752005.db2.gz	ZRJXMNXKAQHUFR-UHFFFAOYSA-N	-1	1	538.688	4.555	1	30		KJEFMM
CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)[O-])[C@H](O)CC[C@@]1(O)C[C@@H](Cc2ccnc(N)c2)C[C@H]1O	ZINC000085492684	560075184	/nfs/dbraw/zinc/07/51/84/560075184.db2.gz	RKKBXQGVUAXXNG-DKSAXXAUSA-N	-1	1	536.754	4.612	1	30	biogenic,in-vitro	KJEFMM
COc1cc2c(cc1O)[C@H](c1ccccc1)C#CC[C@@H](CCCCCCCCO)C(=O)C(O)=C([O-])CC2	ZINC000085631602	560067727	/nfs/dbraw/zinc/06/77/27/560067727.db2.gz	GXXULRGRGWGGMD-MWCHUDNESA-N	-1	1	506.639	4.711	1	30	biogenic,in-vitro	KJEFMM
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC([O-])=NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)c1nc2ccccc2o1	ZINC000095611263	562784925	/nfs/dbraw/zinc/78/49/25/562784925.db2.gz	JQLWOLKKQDGAPQ-BKHJTQGXSA-N	-1	1	751.262	4.965	1	30		KJEFMM
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)c1nc2ccccc2o1	ZINC000095611263	562784924	/nfs/dbraw/zinc/78/49/24/562784924.db2.gz	JQLWOLKKQDGAPQ-BKHJTQGXSA-N	-1	1	751.262	4.965	1	30		KJEFMM
COC(=O)c1ccc2oc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(NC([O-])=NS(=O)(=O)c4ccc(Cl)cc4)cc3)C(C)C)C(C)C)nc2c1	ZINC000095611431	562785039	/nfs/dbraw/zinc/78/50/39/562785039.db2.gz	RECNHUSMYYMKKI-ASVWTAOFSA-N	-1	1	809.298	4.752	1	30		KJEFMM
COC(=O)c1ccc2oc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(NC(=O)[N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)C(C)C)C(C)C)nc2c1	ZINC000095611431	562785038	/nfs/dbraw/zinc/78/50/38/562785038.db2.gz	RECNHUSMYYMKKI-ASVWTAOFSA-N	-1	1	809.298	4.752	1	30		KJEFMM
COc1c(N2CCN(CN3C(=O)/C(=N\c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c4cc(F)ccc43)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000095612775	562785799	/nfs/dbraw/zinc/78/57/99/562785799.db2.gz	YFGDWXZLXUVELG-DJFUTZPISA-N	-1	1	784.802	4.548	1	30		KJEFMM
COc1c(N2CCN(CN3C(=O)/C(=N\c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c4cc(F)ccc43)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000095612776	562785796	/nfs/dbraw/zinc/78/57/96/562785796.db2.gz	YFGDWXZLXUVELG-YDKAJRCDSA-N	-1	1	784.802	4.548	1	30		KJEFMM
COc1c(N2CCN(CN3C(=O)/C(=N\c4ccc(S(=O)(=O)Nc5ncccn5)cc4)c4cc(C)ccc43)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000095612799	562785816	/nfs/dbraw/zinc/78/58/16/562785816.db2.gz	LHFNYUJGHADCSE-BDBZGITNSA-N	-1	1	780.839	4.717	1	30		KJEFMM
COC(=O)c1ccc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(NC([O-])=NS(=O)(=O)c4ccc(Cl)cc4)cc3)C(C)C)C(C)C)oc2c1	ZINC000095613448	562786323	/nfs/dbraw/zinc/78/63/23/562786323.db2.gz	CTTGHLSRCCAZJA-ASVWTAOFSA-N	-1	1	809.298	4.752	1	30		KJEFMM
COC(=O)c1ccc2nc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(NC(=O)[N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)C(C)C)C(C)C)oc2c1	ZINC000095613448	562786322	/nfs/dbraw/zinc/78/63/22/562786322.db2.gz	CTTGHLSRCCAZJA-ASVWTAOFSA-N	-1	1	809.298	4.752	1	30		KJEFMM
N#Cc1c(C(=O)NC2CC2)cc(C2CC2)nc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000096271593	562793838	/nfs/dbraw/zinc/79/38/38/562793838.db2.gz	XOCDZALEQOCVLW-UHFFFAOYSA-N	-1	1	508.987	4.969	1	30		KJEFMM
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Oc1ccc([N-]S(C)(=O)=O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2	ZINC000096284102	562795063	/nfs/dbraw/zinc/79/50/63/562795063.db2.gz	FTPRWOQWHYHBOA-HEMDJKHQSA-N	-1	1	707.798	4.840	1	30		KJEFMM
CCOc1cc([C@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C	ZINC000096284571	562795171	/nfs/dbraw/zinc/79/51/71/562795171.db2.gz	PYDCKOIQIUSOKE-MHZLTWQESA-N	-1	1	598.703	4.567	1	30		KJEFMM
CCOc1cc([C@@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)ccc1OC(C)C	ZINC000096284572	562795173	/nfs/dbraw/zinc/79/51/73/562795173.db2.gz	PYDCKOIQIUSOKE-HHHXNRCGSA-N	-1	1	598.703	4.567	1	30		KJEFMM
CCOc1cc([C@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)ccc1OC(C)C	ZINC000096284573	562795182	/nfs/dbraw/zinc/79/51/82/562795182.db2.gz	COTKEKIZTQTBEH-NDEPHWFRSA-N	-1	1	612.730	4.827	1	30		KJEFMM
CCOc1cc([C@@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)ccc1OC(C)C	ZINC000096284574	562795188	/nfs/dbraw/zinc/79/51/88/562795188.db2.gz	COTKEKIZTQTBEH-MUUNZHRXSA-N	-1	1	612.730	4.827	1	30		KJEFMM
CCOc1cc([C@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1OC(C)C	ZINC000096284577	562795191	/nfs/dbraw/zinc/79/51/91/562795191.db2.gz	CELJOOCMAQSNFW-MHZLTWQESA-N	-1	1	598.703	4.567	1	30		KJEFMM
CCOc1cc([C@@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)ccc1OC(C)C	ZINC000096284578	562795177	/nfs/dbraw/zinc/79/51/77/562795177.db2.gz	CELJOOCMAQSNFW-HHHXNRCGSA-N	-1	1	598.703	4.567	1	30		KJEFMM
CCOc1cc([C@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1OC(C)C	ZINC000096284581	562795158	/nfs/dbraw/zinc/79/51/58/562795158.db2.gz	QHVDUHFNSHQJRC-MHZLTWQESA-N	-1	1	598.703	4.567	1	30		KJEFMM
CCOc1cc([C@@H](Nc2ccc3cnccc3c2)C(=O)[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1OC(C)C	ZINC000096284582	562795163	/nfs/dbraw/zinc/79/51/63/562795163.db2.gz	QHVDUHFNSHQJRC-HHHXNRCGSA-N	-1	1	598.703	4.567	1	30	in-vitro	KJEFMM
CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])O[C@@H]1[C@H](O)C[C@@H](O)[C@H](O)[C@@H]1O)OC	ZINC000096902916	562797744	/nfs/dbraw/zinc/79/77/44/562797744.db2.gz	GJZGRYXGQBWBEB-HKVPEBPQSA-N	-1	1	584.728	4.629	1	30		KJEFMM
CC(=O)O[C@H]1C2=C(C(=O)C([O-])=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000096932990	562803578	/nfs/dbraw/zinc/80/35/78/562803578.db2.gz	CZYSSBPAORVTJF-XWDJFTLGSA-N	-1	1	539.581	4.815	1	30		KJEFMM
CC(C)c1c(=O)[nH]c(=O)n(COCc2ccc(Cc3cccc(C(=O)C=C(O)C(=O)[O-])c3)cc2)c1Cc1ccccc1	ZINC000100753122	562807321	/nfs/dbraw/zinc/80/73/21/562807321.db2.gz	MPDDAQPEONUSAZ-MIXAMLLLSA-N	-1	1	568.626	4.725	1	30		KJEFMM
CC(C)CCC1(CCC(C)C)c2ccccc2C(=O)C(=C2Nc3ccc(OCC(N)=O)cc3S(=O)(=O)N2)C1=O	ZINC000101705742	562811979	/nfs/dbraw/zinc/81/19/79/562811979.db2.gz	OCQWLZBAKSULMT-UHFFFAOYSA-N	-1	1	553.681	4.726	1	30		KJEFMM
CCc1c(=O)[nH]c(=O)n(COCc2ccc(Cc3cccc(C(=O)C=C(O)C(=O)[O-])c3)cc2)c1Cc1cc(C)cc(C)c1	ZINC000101745062	562812076	/nfs/dbraw/zinc/81/20/76/562812076.db2.gz	KWOXBTQBZVHKED-MNBJERMJSA-N	-1	1	582.653	4.781	1	30		KJEFMM
Cc1cc2c(c([O-])c1-c1c(C)cc3c(c1O)C(=CN)C(=O)C(=O)C3C(C)C)C(=CN)C(=O)C(=O)C2C(C)C	ZINC000101899934	562812311	/nfs/dbraw/zinc/81/23/11/562812311.db2.gz	JUABCZKKGBPELI-XFQWXJFMSA-N	-1	1	516.594	4.996	1	30		KJEFMM
CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CCCCCCc2ccc(C(=O)C=C(O)C(=O)[O-])cc2)c1=O	ZINC000102071464	562812653	/nfs/dbraw/zinc/81/26/53/562812653.db2.gz	KDWRBDSIZLXUKL-XHPQRKPJSA-N	-1	1	518.610	4.763	1	30		KJEFMM
O=C(C=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21	ZINC000102943868	562813661	/nfs/dbraw/zinc/81/36/61/562813661.db2.gz	FMUSAQBCSGFOKE-UHFFFAOYSA-N	-1	1	506.436	4.704	1	30		KJEFMM
CCOP(=O)(CC(=O)C1=C([O-])[C@H](CCCCNC(=O)OC(C)(C)C)N(Cc2ccccc2)C1=O)OCC	ZINC000102965509	562813770	/nfs/dbraw/zinc/81/37/70/562813770.db2.gz	DWDQKTJVURHNBA-RZRVEKSFSA-N	-1	1	538.578	4.740	1	30		KJEFMM
CCOP(=O)(CC(=O)C1=C([O-])[C@@H](CCCCNC(=O)OC(C)(C)C)N(Cc2ccccc2)C1=O)OCC	ZINC000102965510	562813787	/nfs/dbraw/zinc/81/37/87/562813787.db2.gz	DWDQKTJVURHNBA-VWKSNAFDSA-N	-1	1	538.578	4.740	1	30		KJEFMM
C/C(=N\n1c(/N=C/c2ccc(N(C)C)cc2)c(C#N)c(-c2ccccc2[O-])c(C#N)c1=O)c1nc2ccccc2[nH]1	ZINC000103215657	562817075	/nfs/dbraw/zinc/81/70/75/562817075.db2.gz	WEIUSTQAKBMXKQ-RLFVTUOHSA-N	-1	1	540.587	4.929	1	30		KJEFMM
N#Cc1ccccc1S(=O)(=O)N(CC(F)(F)F)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000103248781	562820127	/nfs/dbraw/zinc/82/01/27/562820127.db2.gz	UYCSDEVCYIFHRT-UHFFFAOYSA-N	-1	1	506.346	4.628	1	30		KJEFMM
N#Cc1cccc(S(=O)(=O)N(CC(F)(F)F)c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)c1	ZINC000103248785	562820125	/nfs/dbraw/zinc/82/01/25/562820125.db2.gz	JMDJVYRZNMQKFS-UHFFFAOYSA-N	-1	1	506.346	4.628	1	30		KJEFMM
N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)cc1	ZINC000103248787	562820117	/nfs/dbraw/zinc/82/01/17/562820117.db2.gz	RTHMHPHETQFWGP-UHFFFAOYSA-N	-1	1	506.346	4.628	1	30		KJEFMM
C[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ncccn2)nc1)C(F)(F)F	ZINC000103268860	562822727	/nfs/dbraw/zinc/82/27/27/562822727.db2.gz	HTDLVISIRVOKAR-ZDUSSCGKSA-N	-1	1	530.507	4.600	1	30		KJEFMM
Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1	ZINC000103269515	562822752	/nfs/dbraw/zinc/82/27/52/562822752.db2.gz	PIINGLPUBVRSQF-ZDUSSCGKSA-N	-1	1	521.471	4.775	1	30		KJEFMM
Cc1ccc(-n2c3cc(C)c(F)cc3c(C#N)c2-c2ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn2)nc1	ZINC000103270419	562822890	/nfs/dbraw/zinc/82/28/90/562822890.db2.gz	MRMBYRRZRZCLMQ-HNNXBMFYSA-N	-1	1	517.508	4.944	1	30		KJEFMM
Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1ncccc1F	ZINC000103270422	562822873	/nfs/dbraw/zinc/82/28/73/562822873.db2.gz	CSGBHDHHPUNOGD-ZDUSSCGKSA-N	-1	1	521.471	4.775	1	30		KJEFMM
Cc1cccnc1-n1c2cc(C)c(F)cc2c(C#N)c1-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1	ZINC000103270426	562822914	/nfs/dbraw/zinc/82/29/14/562822914.db2.gz	HNBQKHMNYQMHSM-HNNXBMFYSA-N	-1	1	517.508	4.944	1	30		KJEFMM
CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1ccccn1	ZINC000103270429	562822888	/nfs/dbraw/zinc/82/28/88/562822888.db2.gz	XIYFVTRDXPGMEW-AWEZNQCLSA-N	-1	1	517.508	4.890	1	30		KJEFMM
CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1nccs1	ZINC000103270435	562822905	/nfs/dbraw/zinc/82/29/05/562822905.db2.gz	HWOHNDNAEZREJY-LBPRGKRZSA-N	-1	1	523.537	4.951	1	30		KJEFMM
CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1ncc(C)cn1	ZINC000103270440	562822922	/nfs/dbraw/zinc/82/29/22/562822922.db2.gz	YCXRMJZLOCBLSF-AWEZNQCLSA-N	-1	1	532.523	4.593	1	30		KJEFMM
Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1ccccn1	ZINC000103270456	562822917	/nfs/dbraw/zinc/82/29/17/562822917.db2.gz	IXVSWOSLDBULFR-AWEZNQCLSA-N	-1	1	503.481	4.636	1	30		KJEFMM
Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1cccnc1	ZINC000103270458	562822902	/nfs/dbraw/zinc/82/29/02/562822902.db2.gz	GRFRSDHSSAFIHN-AWEZNQCLSA-N	-1	1	503.481	4.636	1	30		KJEFMM
Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1nccs1	ZINC000103270467	562822907	/nfs/dbraw/zinc/82/29/07/562822907.db2.gz	NPPORLBWKYIKBF-LBPRGKRZSA-N	-1	1	509.510	4.697	1	30		KJEFMM
Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1cscn1	ZINC000103270469	562822928	/nfs/dbraw/zinc/82/29/28/562822928.db2.gz	LINDYRXVYOSLLX-LBPRGKRZSA-N	-1	1	509.510	4.697	1	30		KJEFMM
Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cn1)n2-c1cncs1	ZINC000103270472	562822930	/nfs/dbraw/zinc/82/29/30/562822930.db2.gz	AOAFHBXCWOPPQS-LBPRGKRZSA-N	-1	1	509.510	4.697	1	30		KJEFMM
CC(C)C[C@H](C(=O)NO)N1CC[C@@](N)(c2ccc(OCc3cc(-c4ccc(F)cc4)nc4ccccc34)cc2)C1=O	ZINC000140051534	562832862	/nfs/dbraw/zinc/83/28/62/562832862.db2.gz	NJSAMWMIGHGVMS-QLWXXVCSSA-N	-1	1	556.638	4.926	1	30		KJEFMM
N#Cc1cc(Cl)cc(Oc2c(F)c(CC(=O)N3CCc4ccccc4C3)[n-]c(=O)c2Br)c1	ZINC000140220470	562832990	/nfs/dbraw/zinc/83/29/90/562832990.db2.gz	NKFVQEVFDPDVSP-UHFFFAOYSA-N	-1	1	516.754	4.721	1	30		KJEFMM
Cc1cc(C#CCCCCCCCC(=O)NCc2cn([C@H]3C[C@H](O)[C@@H](CO[P@H](=O)[O-])O3)c(=O)[nH]c2=O)cc(C)c1Oc1ccnc(Nc2ccc(C#N)cc2)n1	ZINC000150592905	562846351	/nfs/dbraw/zinc/84/63/51/562846351.db2.gz	UDDMCWWGJNYNIG-GTXBZULCSA-N	-1	1	785.795	4.797	1	30		KJEFMM
O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=C([O-])O[C@H](CO)C1=O	ZINC000150611338	562848417	/nfs/dbraw/zinc/84/84/17/562848417.db2.gz	DYIOAVKTELQTJB-SCSAIBSYSA-N	-1	1	620.208	4.659	1	30		KJEFMM
COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN4CCOCC4)cc3)cc(OC)c2OC)ccc1/C(C)=N/[O-]	ZINC000169324001	562857239	/nfs/dbraw/zinc/85/72/39/562857239.db2.gz	YSPQGADAFDJKQE-FMFFXOCNSA-N	-1	1	564.639	4.933	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@@](=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348592	562862346	/nfs/dbraw/zinc/86/23/46/562862346.db2.gz	GOOZJSWTRQFCSX-PTKAHWJQSA-N	-1	1	511.368	4.742	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@](=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348593	562862358	/nfs/dbraw/zinc/86/23/58/562862358.db2.gz	GOOZJSWTRQFCSX-ABWPRXLSSA-N	-1	1	511.368	4.742	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@@](=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348594	562862356	/nfs/dbraw/zinc/86/23/56/562862356.db2.gz	GOOZJSWTRQFCSX-JUDOTQRYSA-N	-1	1	511.368	4.742	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@](=O)c1cc(Cl)c(Cl)cc1-2	ZINC000169348597	562862322	/nfs/dbraw/zinc/86/23/22/562862322.db2.gz	GOOZJSWTRQFCSX-OZCSCSQXSA-N	-1	1	511.368	4.742	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@@](=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348599	562862324	/nfs/dbraw/zinc/86/23/24/562862324.db2.gz	UTNOIQNSFCVTAB-IACAVPECSA-N	-1	1	511.368	4.742	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@](=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348600	562862335	/nfs/dbraw/zinc/86/23/35/562862335.db2.gz	UTNOIQNSFCVTAB-QYTKIBOQSA-N	-1	1	511.368	4.742	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@@](=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348602	562862339	/nfs/dbraw/zinc/86/23/39/562862339.db2.gz	UTNOIQNSFCVTAB-VILJKOHSSA-N	-1	1	511.368	4.742	1	30		KJEFMM
O=C([O-])C(Cc1ccccc1[N+](=O)[O-])=NN=c1[nH]c2c(s1)C[S@](=O)c1c(Cl)c(Cl)ccc1-2	ZINC000169348603	562862329	/nfs/dbraw/zinc/86/23/29/562862329.db2.gz	UTNOIQNSFCVTAB-MQTDWTRUSA-N	-1	1	511.368	4.742	1	30		KJEFMM
C/C(=N\n1c(/N=C/c2ccccc2[O-])c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1	ZINC000169353771	562863554	/nfs/dbraw/zinc/86/35/54/562863554.db2.gz	QLIHKBPGIMMICQ-PXFBKDBBSA-N	-1	1	542.515	4.772	1	30		KJEFMM
C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@]2(C=C3c4cc([O-])cc(OC)c4C(=O)c4c(O)cc(C)c(c43)O2)NC1=O	ZINC000205646225	562875595	/nfs/dbraw/zinc/87/55/95/562875595.db2.gz	IYXYNNPNDDFRPB-KUSKZEJASA-N	-1	1	603.631	4.712	1	30		KJEFMM
C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@]2(C=C3c4cc([O-])cc(OC)c4C(=O)c4c(O)cc(C)c(c43)O2)NC1=O	ZINC000205682918	562875641	/nfs/dbraw/zinc/87/56/41/562875641.db2.gz	IYXYNNPNDDFRPB-JYCOJEPKSA-N	-1	1	603.631	4.712	1	30		KJEFMM
COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)[C@]2(OC)c1ccc2cc3c(c(O)c2c1[O-])C(=O)C[C@@](C)(O)C3	ZINC000299828742	562884608	/nfs/dbraw/zinc/88/46/08/562884608.db2.gz	HCQUPSKUOXQBMU-LOTAYRJUSA-N	-1	1	544.600	4.720	1	30		KJEFMM
COc1cccc2c1C(=O)C1=C(C[C@H](C)O[C@@H]1C)[C@@]2(OC)c1ccc2cc3c(c(O)c2c1[O-])C(=O)C[C@@](C)(O)C3	ZINC000299828743	562884601	/nfs/dbraw/zinc/88/46/01/562884601.db2.gz	HCQUPSKUOXQBMU-MKBUEKTMSA-N	-1	1	544.600	4.720	1	30		KJEFMM
COc1cc(-c2nc(SCc3ccc(Cl)c(Cl)c3)[n-]c(=NNC(N)=S)c2C#N)cc(OC)c1OC	ZINC000299859501	562892741	/nfs/dbraw/zinc/89/27/41/562892741.db2.gz	IAJKPMVARMHUQK-UHFFFAOYSA-N	-1	1	551.481	4.800	1	30		KJEFMM
COc1cccc2c1C(=NC[C@@]1(c3ccccc3)CC[C@@H](OC(=O)Nc3ccc(N(C)C)cc3)CC1)[N-]S2(=O)=O	ZINC000473113955	562898863	/nfs/dbraw/zinc/89/88/63/562898863.db2.gz	KUEIYBKAAMYFKI-IQBDUEADSA-N	-1	1	562.692	4.929	1	30		KJEFMM
O=S(=O)([N-]c1ccc(F)c(C#Cc2cnc3n[nH]c(-c4ccc(F)cc4)c3c2)c1F)c1cccnc1	ZINC000473127366	562899845	/nfs/dbraw/zinc/89/98/45/562899845.db2.gz	BMIRKZGQCVLNBO-UHFFFAOYSA-N	-1	1	505.481	4.638	1	30		KJEFMM
O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)/C(=N/[O-])c1ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc1/C2=N\O	ZINC000474609723	562905661	/nfs/dbraw/zinc/90/56/61/562905661.db2.gz	TZBWZESQQLWTNJ-KDJHSEOYSA-N	-1	1	664.850	4.947	1	30		KJEFMM
O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)/C(=N/O)c1ccc(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cc1/C2=N\[O-]	ZINC000474609723	562905660	/nfs/dbraw/zinc/90/56/60/562905660.db2.gz	TZBWZESQQLWTNJ-KDJHSEOYSA-N	-1	1	664.850	4.947	1	30		KJEFMM
CCOC(=O)c1c(-c2ccccc2)nc(=O)n(Cc2ccc(Cc3cccc(C(=O)C=C(O)C(=O)[O-])c3)cc2)c1CC	ZINC000653748832	562910537	/nfs/dbraw/zinc/91/05/37/562910537.db2.gz	SCJJJOPARANDTH-USHMODERSA-N	-1	1	566.610	4.998	1	30		KJEFMM
CCOC(=O)c1c(-c2ccccc2)nc(=O)n(Cc2ccc(C(=O)C=C(O)C(=O)[O-])cc2)c1-c1ccccc1	ZINC000653751508	562910670	/nfs/dbraw/zinc/91/06/70/562910670.db2.gz	CLXOMZAFOSXOMI-ULJHMMPZSA-N	-1	1	524.529	4.512	1	30		KJEFMM
CCOC(=O)c1c(-c2ccc(OC)cc2)nc(=O)n(Cc2ccc(C(=O)C=C(O)C(=O)[O-])cc2)c1-c1ccccc1	ZINC000653751532	562910629	/nfs/dbraw/zinc/91/06/29/562910629.db2.gz	JIOJXASXAGWKCP-UQQQWYQISA-N	-1	1	554.555	4.520	1	30		KJEFMM
CCOC(=O)c1c(-c2ccc(F)cc2)nc(=O)n(Cc2ccc(C(=O)C=C(O)C(=O)[O-])cc2)c1-c1ccccc1	ZINC000653751554	562910710	/nfs/dbraw/zinc/91/07/10/562910710.db2.gz	QUGHCFGMPJMVGU-JLPGSUDCSA-N	-1	1	542.519	4.651	1	30		KJEFMM
CCOC(=O)c1c(CC)nc(SCc2ccc(C(=O)C=C(O)C(=O)[O-])cc2)nc1-c1ccc(OC)cc1	ZINC000653754923	562910862	/nfs/dbraw/zinc/91/08/62/562910862.db2.gz	RJDFYASFLLEFGP-HMAPJEAMSA-N	-1	1	522.579	4.893	1	30		KJEFMM
COc1c(Br)cc(C/C(=N\[O-])C(=O)NCCCOc2c(Br)cc(CC[NH3+])cc2Br)c([O-])c1Br	ZINC000653785953	562912365	/nfs/dbraw/zinc/91/23/65/562912365.db2.gz	WGLUKRHDELNEJK-LQKURTRISA-N	-1	1	717.047	4.910	1	30		KJEFMM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c(C#N)c1-c1ccccc1	ZINC000653857039	562915780	/nfs/dbraw/zinc/91/57/80/562915780.db2.gz	SDLMRVZXDARIGW-DPNNOFEESA-N	-1	1	590.061	4.872	1	30		KJEFMM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c(C#N)c1-c1ccccc1OC	ZINC000653857062	562915796	/nfs/dbraw/zinc/91/57/96/562915796.db2.gz	YRVBBNKTAFHKCJ-FABQOPTDSA-N	-1	1	620.087	4.881	1	30		KJEFMM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c(C#N)c1-c1cccc([N+](=O)[O-])c1	ZINC000653871642	562916427	/nfs/dbraw/zinc/91/64/27/562916427.db2.gz	MXWQNTYHJNZRIX-ATZGPIRCSA-N	-1	1	635.058	4.781	1	30		KJEFMM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c(C#N)c1-c1ccc([N+](=O)[O-])cc1	ZINC000653874490	562916601	/nfs/dbraw/zinc/91/66/01/562916601.db2.gz	DSUDOJSWAQLCFP-ATZGPIRCSA-N	-1	1	635.058	4.781	1	30		KJEFMM
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OCc1cn([C@@H](Cc2ccccc2)C(=O)[O-])nn1)c1ccnc2ccc(OC)cc21	ZINC000653887506	562917074	/nfs/dbraw/zinc/91/70/74/562917074.db2.gz	KOESFNZEXYQUQU-AZNYARLTSA-N	-1	1	553.663	4.858	1	30		KJEFMM
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OCc1cn([C@@H](Cc2ccccc2)C(=O)[O-])nn1)c1ccnc2ccc(OC)cc21	ZINC000653887506	562917073	/nfs/dbraw/zinc/91/70/73/562917073.db2.gz	KOESFNZEXYQUQU-AZNYARLTSA-N	-1	1	553.663	4.858	1	30		KJEFMM
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OCc1cn([C@@H](CC(C)C)C(=O)[O-])nn1)c1ccnc2ccc(OC)cc21	ZINC000653887560	562917079	/nfs/dbraw/zinc/91/70/79/562917079.db2.gz	PUOXPKDFSHJCTQ-AKHSPXGISA-N	-1	1	519.646	4.661	1	30		KJEFMM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c(C#N)c1-c1ccc(OC)cc1	ZINC000653891192	562917226	/nfs/dbraw/zinc/91/72/26/562917226.db2.gz	XJZCCPXOSVDHJS-FABQOPTDSA-N	-1	1	620.087	4.881	1	30		KJEFMM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c(C#N)c1-c1ccc(N(C)C)cc1	ZINC000653895435	562917324	/nfs/dbraw/zinc/91/73/24/562917324.db2.gz	LDZBQNZZCQAWCG-XZYGTATASA-N	-1	1	633.130	4.938	1	30		KJEFMM
CCOC(=O)c1c(N)n(/N=C(\C)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)c(C#N)c1-c1ccc2c(c1)OCO2	ZINC000653895477	562917389	/nfs/dbraw/zinc/91/73/89/562917389.db2.gz	YSBAXABGGBATBS-KVAAJVFYSA-N	-1	1	634.070	4.601	1	30		KJEFMM