smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1F	ZINC000111845245	524356711	/nfs/dbraw/zinc/35/67/11/524356711.db2.gz	JSXWOTDRBZHVSL-HNNXBMFYSA-N	0	0	361.421	1.699	10	10		FDCERN
Cc1cc(N2CCC[C@@H](NC(=O)N(C)Cc3ccccc3O)C2=O)n(C)n1	ZINC000173563671	524417144	/nfs/dbraw/zinc/41/71/44/524417144.db2.gz	ANJWXBQXFATJCW-OAHLLOKOSA-N	0	0	371.441	1.771	10	10		FDCERN
CCc1noc([C@@H](C)N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1	ZINC000181072154	525802618	/nfs/dbraw/zinc/80/26/18/525802618.db2.gz	LCCVPJZXNIZUBH-VUDGCMKMSA-N	0	0	372.425	1.962	10	10		FDCERN
COc1ccc(N2CCN(c3nn4c(nccc4=O)s3)CC2)cc1F	ZINC000133637897	526077661	/nfs/dbraw/zinc/07/76/61/526077661.db2.gz	YBTYWSUXCKMLRO-UHFFFAOYSA-N	0	0	361.402	1.625	10	10		FDCERN
COc1cccc(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1O	ZINC000175135206	524882123	/nfs/dbraw/zinc/88/21/23/524882123.db2.gz	IVWXFWNTIUMNDL-ZDUSSCGKSA-N	0	0	359.430	1.930	10	10		FDCERN
Cc1nnc([C@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CCO2)[nH]1	ZINC000175571314	524976871	/nfs/dbraw/zinc/97/68/71/524976871.db2.gz	WPHDVLSGPXQMJM-QGZVFWFLSA-N	0	0	368.441	1.772	10	10		FDCERN
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1N1CCOCC1	ZINC000175730997	524997508	/nfs/dbraw/zinc/99/75/08/524997508.db2.gz	LPXKGIVFGIFMDZ-OXQOHEQNSA-N	0	0	372.513	1.931	10	10		FDCERN
OC[C@@H]1CCCN1c1cc(NCc2ccc(N3CCOCC3)cc2)ncn1	ZINC000110266710	526233752	/nfs/dbraw/zinc/23/37/52/526233752.db2.gz	SEAZGPUVNUFNLI-SFHVURJKSA-N	0	0	369.469	1.886	10	10		FDCERN
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@@H]3C)cc2)CC1	ZINC000190814568	537187503	/nfs/dbraw/zinc/18/75/03/537187503.db2.gz	KHDFIVLVLTXHMP-DNVCBOLYSA-N	0	0	359.470	1.786	10	10		FDCERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000052610450	205185219	/nfs/dbraw/zinc/18/52/19/205185219.db2.gz	QIHYAYQTOHISJK-QGZVFWFLSA-N	0	0	367.515	1.915	10	10		FDCERN
C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1ccccc1Br	ZINC000078382766	671440395	/nfs/dbraw/zinc/44/03/95/671440395.db2.gz	HZRPIKPHDCNHNJ-SSDOTTSWSA-N	0	0	354.229	1.515	10	10		FDCERN
CN1CCCc2cc(CNC(=O)N3CC[C@H](N4CCOCC4)C3)ccc21	ZINC000173906765	524481859	/nfs/dbraw/zinc/48/18/59/524481859.db2.gz	ZCNVNUOPXDCTER-SFHVURJKSA-N	0	0	358.486	1.685	10	10		FDCERN
Oc1cc2c(cc1CN1CCN(C[C@@H](O)c3ccccc3)CC1)OCO2	ZINC000118954482	525586484	/nfs/dbraw/zinc/58/64/84/525586484.db2.gz	FJSHCVFHLOUPJB-GOSISDBHSA-N	0	0	356.422	1.972	10	10		FDCERN
COCc1cc(N2CCN(c3ccc(OC)c(F)c3)CC2)n2ncnc2n1	ZINC000133627585	526079015	/nfs/dbraw/zinc/07/90/15/526079015.db2.gz	SETZZPUXHHKUKN-UHFFFAOYSA-N	0	0	372.404	1.745	10	10		FDCERN
COc1ccc(N2CCN(c3ncnc(N4CCCC4)c3N)CC2)cc1	ZINC000040724224	536703946	/nfs/dbraw/zinc/70/39/46/536703946.db2.gz	ZWBXGGSTFCDCRL-UHFFFAOYSA-N	0	0	354.458	1.994	10	10		FDCERN
Cc1nnc([C@H]2CN(C(=O)NCc3ccc(N(C)C)c(F)c3)CCO2)[nH]1	ZINC000175466066	524965772	/nfs/dbraw/zinc/96/57/72/524965772.db2.gz	HXZZSAWEYPSRTA-OAHLLOKOSA-N	0	0	362.409	1.601	10	10		FDCERN
COc1ccc(N2CCN(C(=O)N[C@@H]3CCCn4ncnc43)CC2)cc1F	ZINC000126566574	525326713	/nfs/dbraw/zinc/32/67/13/525326713.db2.gz	QWDBJMZEYIISAO-OAHLLOKOSA-N	0	0	374.420	1.793	10	10		FDCERN
CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cnn(C)c3C)S2)CC1	ZINC000096569398	671525294	/nfs/dbraw/zinc/52/52/94/671525294.db2.gz	RWHNGVWHRKSQKC-NTEUORMPSA-N	0	0	362.455	1.974	10	10		FDCERN
CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1F	ZINC000173906750	524483110	/nfs/dbraw/zinc/48/31/10/524483110.db2.gz	PHWFEOKVEYVWGI-OAHLLOKOSA-N	0	0	350.438	1.508	10	10		FDCERN
CC(CNc1ccccc1NCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000584657807	551525469	/nfs/dbraw/zinc/52/54/69/551525469.db2.gz	MOEIXTLLZNINNW-UHFFFAOYSA-N	0	0	372.294	1.050	10	10		FDCERN
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(Cl)cc3)C(=N)N21	ZINC000096459597	671525047	/nfs/dbraw/zinc/52/50/47/671525047.db2.gz	MZVBSXMPLBRLLV-DPRQNOTCSA-N	0	0	368.827	1.961	10	10		FDCERN
COCCNc1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1N	ZINC000040727809	136120266	/nfs/dbraw/zinc/12/02/66/136120266.db2.gz	NRDJNHKTXUZREJ-UHFFFAOYSA-N	0	0	358.446	1.452	10	10		FDCERN
COc1ccc(N2CCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)cc1F	ZINC000129124001	525617197	/nfs/dbraw/zinc/61/71/97/525617197.db2.gz	JFZVHRRDTAMZHU-CYBMUJFWSA-N	0	0	374.420	1.272	10	10		FDCERN
CCn1cc([C@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)cn1	ZINC000190793445	537186900	/nfs/dbraw/zinc/18/69/00/537186900.db2.gz	UCDLBYSBPGDPFJ-LJQANCHMSA-N	0	0	371.485	1.659	10	10		FDCERN
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000173787232	524456428	/nfs/dbraw/zinc/45/64/28/524456428.db2.gz	QJJVJHAKINQRJC-LJQANCHMSA-N	0	0	358.486	1.903	10	10		FDCERN
CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000103477266	525358452	/nfs/dbraw/zinc/35/84/52/525358452.db2.gz	NLBYRHKFXQDWMN-QGZVFWFLSA-N	0	0	370.501	1.860	10	10		FDCERN
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCO[C@H]3C)cc2)CC1	ZINC000190814584	537187655	/nfs/dbraw/zinc/18/76/55/537187655.db2.gz	KHDFIVLVLTXHMP-HNAYVOBHSA-N	0	0	359.470	1.786	10	10		FDCERN
CN(C)c1ccc(CNC(=O)CN2CCC(c3ccnn3C)CC2)cc1	ZINC000195502712	537415923	/nfs/dbraw/zinc/41/59/23/537415923.db2.gz	VHZGGEWWAGMCKU-UHFFFAOYSA-N	0	0	355.486	1.982	10	10		FDCERN
CN(C)S(=O)(=O)c1ccc(N=CC2C(=O)OC(C)(C)OC2=O)cc1	ZINC000010121487	207294879	/nfs/dbraw/zinc/29/48/79/207294879.db2.gz	IROOOSMZFCPZRV-UHFFFAOYSA-N	0	0	354.384	1.069	10	10		FDCERN
CN1C(=O)/C(=C/c2ccc(C(=O)N3CCN(C)CC3)cc2)SC1=S	ZINC000033939704	208102764	/nfs/dbraw/zinc/10/27/64/208102764.db2.gz	MMDUYKUKKYRJKO-KAMYIIQDSA-N	0	0	361.492	1.905	10	10		FDCERN
C[C@@H](NC(N)=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000081203192	523950249	/nfs/dbraw/zinc/95/02/49/523950249.db2.gz	CAYZDSOACLHUNJ-GHMZBOCLSA-N	0	0	356.373	1.430	10	10		FDCERN
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@H]3C(N)=O)c2C)cc1	ZINC000091779975	524781573	/nfs/dbraw/zinc/78/15/73/524781573.db2.gz	IKYOPAQUYQXMSS-KRWDZBQOSA-N	0	0	357.410	1.429	10	10		FDCERN
C[C@H]1COC[C@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000120889040	526211162	/nfs/dbraw/zinc/21/11/62/526211162.db2.gz	JZZLMRVQPHBGKB-GJZGRUSLSA-N	0	0	365.449	1.388	10	10		FDCERN
CN1C(=O)/C(=C/c2ccc(C(=O)NN3CCOCC3)cc2)SC1=S	ZINC000008375356	207231049	/nfs/dbraw/zinc/23/10/49/207231049.db2.gz	VNRKRNKWXOBHRE-RAXLEYEMSA-N	0	0	363.464	1.495	10	10		FDCERN
O=C(NC1=N[C@H](c2ccccc2F)CC(=O)N1)c1ccc2c(c1)OCO2	ZINC000020924621	207758804	/nfs/dbraw/zinc/75/88/04/207758804.db2.gz	KMMXNHROJRVRSK-ZDUSSCGKSA-N	0	0	355.325	1.901	10	10		FDCERN
COc1ccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)cc1[N+](=O)[O-]	ZINC000040867519	208272872	/nfs/dbraw/zinc/27/28/72/208272872.db2.gz	JCEVEHOWICKIAA-WDZFZDKYSA-N	0	0	353.381	1.856	10	10		FDCERN
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CNC(=O)C1	ZINC000173023983	524303946	/nfs/dbraw/zinc/30/39/46/524303946.db2.gz	NGKYXDRSIRAGAX-NEPJUHHUSA-N	0	0	353.369	1.509	10	10		FDCERN
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H](N2CCOCC2)C1	ZINC000173893933	524477255	/nfs/dbraw/zinc/47/72/55/524477255.db2.gz	SEXGUCSVODHAPJ-LJQANCHMSA-N	0	0	356.470	1.679	10	10		FDCERN
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1N1CCOCC1	ZINC000175730370	524997102	/nfs/dbraw/zinc/99/71/02/524997102.db2.gz	UKYDNIMKIUDNGM-KDOFPFPSSA-N	0	0	364.465	1.754	10	10		FDCERN
COc1ccc(N2CCN(c3ncnc(-n4ccnc4)c3N)CC2)cc1	ZINC000040727989	536703541	/nfs/dbraw/zinc/70/35/41/536703541.db2.gz	PCJXAIKNHPIBGZ-UHFFFAOYSA-N	0	0	351.414	1.580	10	10		FDCERN
O=C1c2ccccc2C(=O)c2c1nc1ccc(N3CCOCC3)cc1[n+]2[O-]	ZINC000096336609	132225012	/nfs/dbraw/zinc/22/50/12/132225012.db2.gz	VELYCHXMLBHFKO-UHFFFAOYSA-N	0	0	361.357	1.480	10	10		FDCERN
CN1CCCc2cc(CNC(=O)N3CCO[C@@H](Cn4cccn4)C3)ccc21	ZINC000111845399	524358128	/nfs/dbraw/zinc/35/81/28/524358128.db2.gz	LKBDJMKNCGZEFF-GOSISDBHSA-N	0	0	369.469	1.876	10	10		FDCERN
C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1	ZINC000171688979	526078924	/nfs/dbraw/zinc/07/89/24/526078924.db2.gz	MJVNIBIEFRTSEW-AWEZNQCLSA-N	0	0	367.490	1.716	10	10		FDCERN
Cc1ccc(N2C(=O)/C(=C/N3CCN(CCO)CC3)SC2=S)cc1	ZINC000618254453	555600177	/nfs/dbraw/zinc/60/01/77/555600177.db2.gz	AHGHJSPEZISOSL-QINSGFPZSA-N	0	0	363.508	1.811	10	10		FDCERN
Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(N(C)C)c(F)c3)CCO2)[nH]1	ZINC000175466050	524966999	/nfs/dbraw/zinc/96/69/99/524966999.db2.gz	HXZZSAWEYPSRTA-HNNXBMFYSA-N	0	0	362.409	1.601	10	10		FDCERN
CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000181817656	525942988	/nfs/dbraw/zinc/94/29/88/525942988.db2.gz	YXQMFDDQHRDTDM-LJQANCHMSA-N	0	0	358.486	1.661	10	10		FDCERN
OC[C@H]1CCCN1c1cc(NCc2ccc(N3CCOCC3)cc2)ncn1	ZINC000110266706	526232790	/nfs/dbraw/zinc/23/27/90/526232790.db2.gz	SEAZGPUVNUFNLI-GOSISDBHSA-N	0	0	369.469	1.886	10	10		FDCERN
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CNC(=O)C1	ZINC000246939183	537054780	/nfs/dbraw/zinc/05/47/80/537054780.db2.gz	NGKYXDRSIRAGAX-NWDGAFQWSA-N	0	0	353.369	1.509	10	10		FDCERN
O=C(NCCCSc1nccs1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000154649710	671926295	/nfs/dbraw/zinc/92/62/95/671926295.db2.gz	FJQOJZDEHMQAPU-CYBMUJFWSA-N	0	0	367.500	1.932	10	10		FDCERN
Cc1nnc([C@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CCO2)[nH]1	ZINC000175399037	524958301	/nfs/dbraw/zinc/95/83/01/524958301.db2.gz	SADOEDCEQTWNMX-QGZVFWFLSA-N	0	0	370.457	1.996	10	10		FDCERN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCn2ncnc21	ZINC000177315966	525274412	/nfs/dbraw/zinc/27/44/12/525274412.db2.gz	XEUUKIXTQZKWDC-QGZVFWFLSA-N	0	0	370.457	1.791	10	10		FDCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCn2ncnc21	ZINC000177313277	525274745	/nfs/dbraw/zinc/27/47/45/525274745.db2.gz	OUIFEZLRJWHIPP-HNNXBMFYSA-N	0	0	374.420	1.588	10	10		FDCERN
CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](n3cncn3)C2)cc1	ZINC000171525030	526020905	/nfs/dbraw/zinc/02/09/05/526020905.db2.gz	WEDAPMUYXIUYLR-SFHVURJKSA-N	0	0	356.474	1.640	10	10		FDCERN
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)c2cccc(O)c2O)[C@H](O)C1	ZINC000702771519	884222207	/nfs/dbraw/zinc/22/22/07/884222207.db2.gz	SOLWSVLOHIUDQS-ZWNOBZJWSA-N	0	0	352.387	1.055	10	10		FDCERN
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@H]21	ZINC000004581202	207029805	/nfs/dbraw/zinc/02/98/05/207029805.db2.gz	AHUNSMBXSCWDLT-ULMVMLMRSA-N	0	0	374.437	1.916	10	10		FDCERN
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1N1CCOCC1	ZINC000175730422	524997997	/nfs/dbraw/zinc/99/79/97/524997997.db2.gz	UKYDNIMKIUDNGM-KBXCAEBGSA-N	0	0	364.465	1.754	10	10		FDCERN
Cc1cnn(CCNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1	ZINC000118063156	525428035	/nfs/dbraw/zinc/42/80/35/525428035.db2.gz	AOAPHAYXWWQNEE-UHFFFAOYSA-N	0	0	371.485	1.900	10	10		FDCERN
Cc1cc(C)n(C[C@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CCO2)n1	ZINC000181064038	525802167	/nfs/dbraw/zinc/80/21/67/525802167.db2.gz	QKAWTKPQHHVXNU-MQDFFIGUSA-N	0	0	357.410	1.852	10	10		FDCERN
CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CN(C)CCO2)cc1F	ZINC000109018783	526059460	/nfs/dbraw/zinc/05/94/60/526059460.db2.gz	XYZGAUWZYQWWFT-OAHLLOKOSA-N	0	0	352.454	1.802	10	10		FDCERN
CC(C)[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(N)=O	ZINC000134856063	526193310	/nfs/dbraw/zinc/19/33/10/526193310.db2.gz	KYSNBJJSSQACON-INIZCTEOSA-N	0	0	366.437	1.096	10	10		FDCERN
C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000191258568	537201892	/nfs/dbraw/zinc/20/18/92/537201892.db2.gz	AXFYVNFTDBVTHV-ZDUSSCGKSA-N	0	0	364.421	1.082	10	10		FDCERN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCc2ncnn2C1	ZINC000161227455	525059438	/nfs/dbraw/zinc/05/94/38/525059438.db2.gz	MZOSZHNICDYLOL-INIZCTEOSA-N	0	0	370.457	1.271	10	10		FDCERN
CCc1nnc([C@@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)[nH]1	ZINC000130040277	525716367	/nfs/dbraw/zinc/71/63/67/525716367.db2.gz	VPHVDTQPYCJWRE-HNNXBMFYSA-N	0	0	358.446	1.716	10	10		FDCERN
Cn1cc(CN2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cn1	ZINC000180758451	525752933	/nfs/dbraw/zinc/75/29/33/525752933.db2.gz	DXYGVGVHIGDGFZ-GQCTYLIASA-N	0	0	356.426	1.579	10	10		FDCERN
CCn1cc([C@@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)cn1	ZINC000190793424	537186828	/nfs/dbraw/zinc/18/68/28/537186828.db2.gz	UCDLBYSBPGDPFJ-IBGZPJMESA-N	0	0	371.485	1.659	10	10		FDCERN
C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1N1CCOCC1	ZINC000154584397	671925566	/nfs/dbraw/zinc/92/55/66/671925566.db2.gz	YHZBYWSUHGAHAV-UONOGXRCSA-N	0	0	370.544	1.987	10	10		FDCERN
O=C(NC1=N[C@@H](c2ccccc2F)CC(=O)N1)c1ccc2c(c1)OCO2	ZINC000020924626	211300648	/nfs/dbraw/zinc/30/06/48/211300648.db2.gz	KMMXNHROJRVRSK-CYBMUJFWSA-N	0	0	355.325	1.901	10	10		FDCERN
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1	ZINC000028440681	519238041	/nfs/dbraw/zinc/23/80/41/519238041.db2.gz	BRGVNNWXFHKHIB-MRXNPFEDSA-N	0	0	353.488	1.573	10	10		FDCERN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1	ZINC000028440683	519239773	/nfs/dbraw/zinc/23/97/73/519239773.db2.gz	BRGVNNWXFHKHIB-INIZCTEOSA-N	0	0	353.488	1.573	10	10		FDCERN
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1N1CCOCC1	ZINC000175807310	525013232	/nfs/dbraw/zinc/01/32/32/525013232.db2.gz	GOYGILDOGIOYPR-XLIONFOSSA-N	0	0	370.497	1.925	10	10		FDCERN
COc1ccc(N2CCCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)cc1	ZINC000161154098	525042811	/nfs/dbraw/zinc/04/28/11/525042811.db2.gz	ULOZUNJIVWIODC-HNNXBMFYSA-N	0	0	370.457	1.523	10	10		FDCERN
COCCN1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C	ZINC000106106888	525594070	/nfs/dbraw/zinc/59/40/70/525594070.db2.gz	LDAYGAASTFRTAX-KRWDZBQOSA-N	0	0	362.518	1.364	10	10		FDCERN
COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1	ZINC000181581155	525875323	/nfs/dbraw/zinc/87/53/23/525875323.db2.gz	GZWJUXODHBKTRL-CYBMUJFWSA-N	0	0	359.430	1.930	10	10		FDCERN
CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)cc1F	ZINC000188966108	536978117	/nfs/dbraw/zinc/97/81/17/536978117.db2.gz	OPZWQHYHAVQBFW-RHSMWYFYSA-N	0	0	351.422	1.270	10	10		FDCERN
NC(=[NH2+])N[C@H](CO)c1cc(Br)cc(Br)c1[O-]	ZINC000396460218	537789404	/nfs/dbraw/zinc/78/94/04/537789404.db2.gz	DSUHDJJWFZMWTP-SSDOTTSWSA-N	0	0	353.014	1.434	10	10		FDCERN
C[C@@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000137466166	524240351	/nfs/dbraw/zinc/24/03/51/524240351.db2.gz	VULKDOXPKPVHAO-QCBUCWTNSA-N	0	0	366.373	1.686	10	10		FDCERN
COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000159986381	524782493	/nfs/dbraw/zinc/78/24/93/524782493.db2.gz	JAOQERKQMJHVSO-CYBMUJFWSA-N	0	0	359.430	1.930	10	10		FDCERN
C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1N1CCOCC1	ZINC000175730407	524997885	/nfs/dbraw/zinc/99/78/85/524997885.db2.gz	UKYDNIMKIUDNGM-RDTXWAMCSA-N	0	0	364.465	1.754	10	10		FDCERN
Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)c1	ZINC000106197420	525668096	/nfs/dbraw/zinc/66/80/96/525668096.db2.gz	FKMHLSRVKNBXMU-IBGZPJMESA-N	0	0	371.485	1.275	10	10		FDCERN
COc1cc(Cl)cc(CN2CCN(c3ccc4nncn4n3)CC2)c1O	ZINC000184689902	536176122	/nfs/dbraw/zinc/17/61/22/536176122.db2.gz	WBTMQTRKOJLPRI-UHFFFAOYSA-N	0	0	374.832	1.814	10	10		FDCERN
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C	ZINC000185800380	536217911	/nfs/dbraw/zinc/21/79/11/536217911.db2.gz	UAHMLZNWWQIKFT-ZIAGYGMSSA-N	0	0	352.454	1.488	10	10		FDCERN
CNC(=O)[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C	ZINC000178407635	672141389	/nfs/dbraw/zinc/14/13/89/672141389.db2.gz	SKJVSHBKXAXSTO-MRXNPFEDSA-N	0	0	364.515	1.810	10	10		FDCERN
COc1cccc(CNC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)c1O	ZINC000175135193	524882329	/nfs/dbraw/zinc/88/23/29/524882329.db2.gz	IVWXFWNTIUMNDL-CYBMUJFWSA-N	0	0	359.430	1.930	10	10		FDCERN
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@H]1CCCC[C@H]1O	ZINC000103308112	525346950	/nfs/dbraw/zinc/34/69/50/525346950.db2.gz	WFTMUVMTAGGLCL-FUHWJXTLSA-N	0	0	365.449	1.890	10	10		FDCERN
CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n1	ZINC000182430513	526172553	/nfs/dbraw/zinc/17/25/53/526172553.db2.gz	KWYKPUZGLUZINQ-LBPRGKRZSA-N	0	0	360.414	1.871	10	10		FDCERN
O=C(c1cccc(O)c1O)N1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000193076854	537239426	/nfs/dbraw/zinc/23/94/26/537239426.db2.gz	PDHDKMGHUJYULV-UHFFFAOYSA-N	0	0	358.398	1.706	10	10		FDCERN
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)CN1CCOCC1	ZINC000125500728	671748807	/nfs/dbraw/zinc/74/88/07/671748807.db2.gz	RBONOCFZJXHJBD-OAHLLOKOSA-N	0	0	363.483	1.579	10	10		FDCERN
C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H]1N1CCOCC1	ZINC000154584121	671925601	/nfs/dbraw/zinc/92/56/01/671925601.db2.gz	YHZBYWSUHGAHAV-KGLIPLIRSA-N	0	0	370.544	1.987	10	10		FDCERN
Cc1cnn(C[C@@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)c1	ZINC000112104104	524404277	/nfs/dbraw/zinc/40/42/77/524404277.db2.gz	MLZMNLXYYMAQOS-SFHVURJKSA-N	0	0	357.458	1.868	10	10		FDCERN
CCOc1ccc(O)c(C[NH+]2CCN(c3ccc4nncn4n3)CC2)c1	ZINC000120504835	526088906	/nfs/dbraw/zinc/08/89/06/526088906.db2.gz	XAPAEHHOPLYKCG-UHFFFAOYSA-N	0	0	354.414	1.551	10	10		FDCERN
O=C(NCCCSc1nccs1)N1CC[C@@H](N2CCOCC2)C1	ZINC000154565929	671924976	/nfs/dbraw/zinc/92/49/76/671924976.db2.gz	DDSRLGILJFLUKW-CYBMUJFWSA-N	0	0	356.517	1.741	10	10		FDCERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)c2cccc(O)c2O)C1	ZINC000702771515	884221416	/nfs/dbraw/zinc/22/14/16/884221416.db2.gz	SOLWSVLOHIUDQS-MFKMUULPSA-N	0	0	352.387	1.055	10	10		FDCERN
COc1cc(/C=C2/SC(=S)N(N3CCOCC3)C2=O)ccc1O	ZINC000002228257	210385092	/nfs/dbraw/zinc/38/50/92/210385092.db2.gz	ZISPWOKNJXQCGQ-UKTHLTGXSA-N	0	0	352.437	1.849	10	10		FDCERN
CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cc1	ZINC000115205577	524953253	/nfs/dbraw/zinc/95/32/53/524953253.db2.gz	VDIYIAFJPYDENV-IEBWSBKVSA-N	0	0	369.469	1.712	10	10		FDCERN
O=C(N[C@@H]1CCc2ncnn2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000161110845	525035990	/nfs/dbraw/zinc/03/59/90/525035990.db2.gz	IXWNYIIOMVCOAT-CVEARBPZSA-N	0	0	371.441	1.689	10	10		FDCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCn2ncnc21	ZINC000177313259	525274886	/nfs/dbraw/zinc/27/48/86/525274886.db2.gz	OUIFEZLRJWHIPP-OAHLLOKOSA-N	0	0	374.420	1.588	10	10		FDCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@@H]1O	ZINC000103308086	525345888	/nfs/dbraw/zinc/34/58/88/525345888.db2.gz	HGBFGEBEUSBFMJ-WBVHZDCISA-N	0	0	351.422	1.765	10	10		FDCERN
CN(C)c1ccc(CNC(=O)CN2CCO[C@H](c3nccs3)C2)cc1	ZINC000171666412	526069292	/nfs/dbraw/zinc/06/92/92/526069292.db2.gz	MNVYJHXIRFOPTH-INIZCTEOSA-N	0	0	360.483	1.899	10	10		FDCERN
CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)n1	ZINC000182430492	526171969	/nfs/dbraw/zinc/17/19/69/526171969.db2.gz	KWYKPUZGLUZINQ-GFCCVEGCSA-N	0	0	360.414	1.871	10	10		FDCERN
Cc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)o1	ZINC000096460915	671525058	/nfs/dbraw/zinc/52/50/58/671525058.db2.gz	PEEVDYZCNFPVQG-SKSNQNAHSA-N	0	0	366.424	1.988	10	10		FDCERN
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNC(=O)c2cccc(O)c2O)C1	ZINC000702771507	884222021	/nfs/dbraw/zinc/22/20/21/884222021.db2.gz	SOLWSVLOHIUDQS-GWCFXTLKSA-N	0	0	352.387	1.055	10	10		FDCERN
COc1ccc(N2CCN(C(=O)N[C@H]3CCc4ncnn4C3)CC2)cc1F	ZINC000129124230	525617111	/nfs/dbraw/zinc/61/71/11/525617111.db2.gz	JFZVHRRDTAMZHU-ZDUSSCGKSA-N	0	0	374.420	1.272	10	10		FDCERN
CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](n3cncn3)C2)cc1	ZINC000171525036	526021142	/nfs/dbraw/zinc/02/11/42/526021142.db2.gz	WEDAPMUYXIUYLR-GOSISDBHSA-N	0	0	356.474	1.640	10	10		FDCERN
COC(=O)/C=C/c1ccc(N2CCO[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1	ZINC000108949360	526047905	/nfs/dbraw/zinc/04/79/05/526047905.db2.gz	FNVLIRQNRDSYLZ-CSPWOOARSA-N	0	0	372.381	1.883	10	10		FDCERN
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(O)cc3)C(=N)N21	ZINC000096460298	671525068	/nfs/dbraw/zinc/52/50/68/671525068.db2.gz	KAXOXEQEIHACPS-QMWDNBGHSA-N	0	0	364.408	1.404	10	10		FDCERN
O=C(NCCCSc1nccs1)N1CC[C@H](N2CCOCC2)C1	ZINC000154565824	671924967	/nfs/dbraw/zinc/92/49/67/671924967.db2.gz	DDSRLGILJFLUKW-ZDUSSCGKSA-N	0	0	356.517	1.741	10	10		FDCERN
CC[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O	ZINC000245944049	672474995	/nfs/dbraw/zinc/47/49/95/672474995.db2.gz	RMZKTEJTKGUOCD-QWHCGFSZSA-N	0	0	353.419	1.893	10	10		FDCERN
COc1ccc(N2CCN(c3ncnc(N(C)C)c3[N+](=O)[O-])CC2)cc1	ZINC000040608300	536703393	/nfs/dbraw/zinc/70/33/93/536703393.db2.gz	CPDNYLMKKBIPKN-UHFFFAOYSA-N	0	0	358.402	1.786	10	10		FDCERN
Cc1ccc(C(=O)NC2(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1	ZINC000226297671	537566074	/nfs/dbraw/zinc/56/60/74/537566074.db2.gz	OOXUJRXKLLBCNB-UHFFFAOYSA-N	0	0	364.401	1.833	10	10		FDCERN
CCc1noc([C@H](C)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1	ZINC000112070984	524400179	/nfs/dbraw/zinc/40/01/79/524400179.db2.gz	ZLTSEPZARLTDCU-LBPRGKRZSA-N	0	0	360.414	1.945	10	10		FDCERN
Cc1nnc([C@@H]2CN(C(=O)NCc3ccc4c(c3)CCCN4C)CCO2)[nH]1	ZINC000175466685	524966686	/nfs/dbraw/zinc/96/66/86/524966686.db2.gz	JCDNGJOGJHPKPB-KRWDZBQOSA-N	0	0	370.457	1.779	10	10		FDCERN
O=C(N[C@H]1CCc2ncnn2C1)N(Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000161111067	525035963	/nfs/dbraw/zinc/03/59/63/525035963.db2.gz	IXWNYIIOMVCOAT-HOTGVXAUSA-N	0	0	371.441	1.689	10	10		FDCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000171902820	526173711	/nfs/dbraw/zinc/17/37/11/526173711.db2.gz	MTFFVLTWNNRLSX-INIZCTEOSA-N	0	0	362.449	1.652	10	10		FDCERN
CCN(CCO)C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000008226457	518461944	/nfs/dbraw/zinc/46/19/44/518461944.db2.gz	WGTDFDBKCVWBSL-RAXLEYEMSA-N	0	0	350.465	1.729	10	10		FDCERN
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](Oc3cccnc3)C2)cc1	ZINC000152546811	524922250	/nfs/dbraw/zinc/92/22/50/524922250.db2.gz	OINDFSRCFBCBKE-LJQANCHMSA-N	0	0	354.454	1.917	10	10		FDCERN
COc1ccc(N2CCN(C(=O)N[C@H]3CCCn4ncnc43)CC2)cc1F	ZINC000126566804	525327372	/nfs/dbraw/zinc/32/73/72/525327372.db2.gz	QWDBJMZEYIISAO-HNNXBMFYSA-N	0	0	374.420	1.793	10	10		FDCERN
COCCN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C	ZINC000117486808	671663385	/nfs/dbraw/zinc/66/33/85/671663385.db2.gz	RMNYKXYLZGCQCN-AWEZNQCLSA-N	0	0	352.454	1.754	10	10		FDCERN
CC[C@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O	ZINC000245944052	672475317	/nfs/dbraw/zinc/47/53/17/672475317.db2.gz	RMZKTEJTKGUOCD-STQMWFEESA-N	0	0	353.419	1.893	10	10		FDCERN
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@@H]3C)cc2)CC1	ZINC000190814604	537187404	/nfs/dbraw/zinc/18/74/04/537187404.db2.gz	KHDFIVLVLTXHMP-BEFAXECRSA-N	0	0	359.470	1.786	10	10		FDCERN
O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@H](N2CCOCC2)C1	ZINC000173893923	524478949	/nfs/dbraw/zinc/47/89/49/524478949.db2.gz	SEXGUCSVODHAPJ-IBGZPJMESA-N	0	0	356.470	1.679	10	10		FDCERN
COc1cc(O)c(CN2CCN([C@H](C)c3nc(C)no3)CC2)cc1OC	ZINC000160257557	524842739	/nfs/dbraw/zinc/84/27/39/524842739.db2.gz	MQHZPZZDQYDLLY-GFCCVEGCSA-N	0	0	362.430	1.980	10	10		FDCERN
Cc1nn(C)c(C)c1CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1	ZINC000181087355	525804780	/nfs/dbraw/zinc/80/47/80/525804780.db2.gz	ZYJARXAHRYUQJF-FNORWQNLSA-N	0	0	370.453	1.806	10	10		FDCERN
COCCN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1C	ZINC000155716647	525954622	/nfs/dbraw/zinc/95/46/22/525954622.db2.gz	YLMHMSYOEVZQIN-QGZVFWFLSA-N	0	0	358.486	1.925	10	10		FDCERN
O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1c[nH]c2ccccc12	ZINC000020289503	220321001	/nfs/dbraw/zinc/32/10/01/220321001.db2.gz	YWAZVQUIYOUPPP-LFIBNONCSA-N	0	0	356.451	1.748	10	10		FDCERN
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)C1)C(=O)c1ccccc1C3=O	ZINC000036408133	519622310	/nfs/dbraw/zinc/62/23/10/519622310.db2.gz	ZUFQFGSMHXKORU-ODXCJYRJSA-N	0	0	368.341	1.173	10	10		FDCERN
CN(C)c1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1F	ZINC000111845247	524357472	/nfs/dbraw/zinc/35/74/72/524357472.db2.gz	JSXWOTDRBZHVSL-OAHLLOKOSA-N	0	0	361.421	1.699	10	10		FDCERN
Cc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c(O)c1O	ZINC000179483880	525592349	/nfs/dbraw/zinc/59/23/49/525592349.db2.gz	WOGUFCGNQKJCJR-QGZVFWFLSA-N	0	0	356.422	1.898	10	10		FDCERN
C[C@@H]1COC[C@@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000120889180	526212194	/nfs/dbraw/zinc/21/21/94/526212194.db2.gz	JZZLMRVQPHBGKB-HUUCEWRRSA-N	0	0	365.449	1.388	10	10		FDCERN
C[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1N1CCOCC1	ZINC000246302737	536921879	/nfs/dbraw/zinc/92/18/79/536921879.db2.gz	BWYVZOUUXJLVOP-VQIMIIECSA-N	0	0	360.502	1.021	10	10		FDCERN
Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1	ZINC000041839949	205092953	/nfs/dbraw/zinc/09/29/53/205092953.db2.gz	HCKCTWOZSULBIP-UHFFFAOYSA-N	0	0	361.467	1.812	10	10		FDCERN
O=C(N[C@H]1CCc2ncnn2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000161111195	525035806	/nfs/dbraw/zinc/03/58/06/525035806.db2.gz	IXWNYIIOMVCOAT-JKSUJKDBSA-N	0	0	371.441	1.689	10	10		FDCERN
Cc1cc(C)n(C[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CCO2)n1	ZINC000181064019	525801676	/nfs/dbraw/zinc/80/16/76/525801676.db2.gz	QKAWTKPQHHVXNU-NBUZRDOWSA-N	0	0	357.410	1.852	10	10		FDCERN
COc1cccc(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1O	ZINC000181733602	525911519	/nfs/dbraw/zinc/91/15/19/525911519.db2.gz	YCKPUUZTSMUKTF-ZDUSSCGKSA-N	0	0	359.430	1.930	10	10		FDCERN
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(C)o3)C(=N)N21	ZINC000096460455	671525048	/nfs/dbraw/zinc/52/50/48/671525048.db2.gz	HOHGQODTHQGVKV-KAQGHPILSA-N	0	0	352.397	1.599	10	10		FDCERN
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1	ZINC000146610464	524419511	/nfs/dbraw/zinc/41/95/11/524419511.db2.gz	BAGNLGJINAERAZ-FHVRUZERSA-N	0	0	368.433	1.989	10	10		FDCERN
CCS(=O)(=O)N1CCN(C2=NC(=O)/C(=C\c3cccnc3)S2)CC1	ZINC000096854273	525163535	/nfs/dbraw/zinc/16/35/35/525163535.db2.gz	YAXFCIABZGRSFO-JLHYYAGUSA-N	0	0	366.468	1.019	10	10		FDCERN
COc1cccc(CNC(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)c1O	ZINC000181733587	525911946	/nfs/dbraw/zinc/91/19/46/525911946.db2.gz	YCKPUUZTSMUKTF-CYBMUJFWSA-N	0	0	359.430	1.930	10	10		FDCERN
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](Cn2cccn2)C1	ZINC000155663867	525937205	/nfs/dbraw/zinc/93/72/05/525937205.db2.gz	JEECJLHUURRUHN-LJQANCHMSA-N	0	0	367.453	1.870	10	10		FDCERN
O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](Cn2cccn2)C1	ZINC000155663748	525937539	/nfs/dbraw/zinc/93/75/39/525937539.db2.gz	JEECJLHUURRUHN-IBGZPJMESA-N	0	0	367.453	1.870	10	10		FDCERN
CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	ZINC000184864663	536188402	/nfs/dbraw/zinc/18/84/02/536188402.db2.gz	CJKPPTJKYPABCE-LJQANCHMSA-N	0	0	360.502	1.885	10	10		FDCERN
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCCO[C@H]3C)cc2)CC1	ZINC000190814624	537187619	/nfs/dbraw/zinc/18/76/19/537187619.db2.gz	KHDFIVLVLTXHMP-KXBFYZLASA-N	0	0	359.470	1.786	10	10		FDCERN
O=C1/C(=C/N2CCN(CCO)CC2)SC(=S)N1Cc1ccco1	ZINC000618254597	555600364	/nfs/dbraw/zinc/60/03/64/555600364.db2.gz	FICOLNSRFHVFEQ-QBFSEMIESA-N	0	0	353.469	1.091	10	10		FDCERN
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1	ZINC000052610453	205185866	/nfs/dbraw/zinc/18/58/66/205185866.db2.gz	QIHYAYQTOHISJK-KRWDZBQOSA-N	0	0	367.515	1.915	10	10		FDCERN
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccc(O)cc3)C(=N)N21	ZINC000096459604	671525100	/nfs/dbraw/zinc/52/51/00/671525100.db2.gz	DMGRCALECUWLPD-KAQGHPILSA-N	0	0	350.381	1.013	10	10		FDCERN
Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)CN1CCOCC1	ZINC000125500552	671748739	/nfs/dbraw/zinc/74/87/39/671748739.db2.gz	RBONOCFZJXHJBD-HNNXBMFYSA-N	0	0	363.483	1.579	10	10		FDCERN
[N-]=[N+]=NCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000169743913	206254691	/nfs/dbraw/zinc/25/46/91/206254691.db2.gz	KBBMDEIUGWVWEA-GVXVVHGQSA-N	0	0	356.452	1.155	10	10		FDCERN
CCn1cnnc1C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000152179550	524803301	/nfs/dbraw/zinc/80/33/01/524803301.db2.gz	XLBKGMSDPQDOLI-UHFFFAOYSA-N	0	0	370.501	1.860	10	10		FDCERN
CCc1noc([C@H](C)N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)n1	ZINC000181072173	525802068	/nfs/dbraw/zinc/80/20/68/525802068.db2.gz	LCCVPJZXNIZUBH-IYNGYCSASA-N	0	0	372.425	1.962	10	10		FDCERN
CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](c3nccs3)C2)cc1	ZINC000171666417	526068953	/nfs/dbraw/zinc/06/89/53/526068953.db2.gz	MNVYJHXIRFOPTH-MRXNPFEDSA-N	0	0	360.483	1.899	10	10		FDCERN
C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1N1CCOCC1	ZINC000175730956	524997671	/nfs/dbraw/zinc/99/76/71/524997671.db2.gz	LPXKGIVFGIFMDZ-UZLBHIALSA-N	0	0	372.513	1.931	10	10		FDCERN
Oc1cc2c(cc1CN1CCN(C[C@H](O)c3ccccc3)CC1)OCO2	ZINC000118954593	525587087	/nfs/dbraw/zinc/58/70/87/525587087.db2.gz	FJSHCVFHLOUPJB-SFHVURJKSA-N	0	0	356.422	1.972	10	10		FDCERN
C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000191258552	537201978	/nfs/dbraw/zinc/20/19/78/537201978.db2.gz	AXFYVNFTDBVTHV-CYBMUJFWSA-N	0	0	364.421	1.082	10	10		FDCERN
COCCCNC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O	ZINC000065239752	205326485	/nfs/dbraw/zinc/32/64/85/205326485.db2.gz	CQZDOVXBWMKSQX-UHFFFAOYSA-N	0	0	354.403	1.578	10	10		FDCERN
O=C(Nc1cccc(C(F)(F)F)c1)C(=O)NN1C(=O)CSC1=S	ZINC000048547987	522747844	/nfs/dbraw/zinc/74/78/44/522747844.db2.gz	QSQDQAXJCFKONS-UHFFFAOYSA-N	0	0	363.342	1.535	10	10		FDCERN
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@H]1N1CCOCC1	ZINC000175731018	524998440	/nfs/dbraw/zinc/99/84/40/524998440.db2.gz	LPXKGIVFGIFMDZ-OXJNMPFZSA-N	0	0	372.513	1.931	10	10		FDCERN
CN(C)c1ccc(CNC(=O)CN2CCC(Nc3cccnn3)CC2)cc1	ZINC000106082033	525567331	/nfs/dbraw/zinc/56/73/31/525567331.db2.gz	IUAHLFCERRXTQW-UHFFFAOYSA-N	0	0	368.485	1.735	10	10		FDCERN
CCc1nnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)n1C	ZINC000171938158	526187387	/nfs/dbraw/zinc/18/73/87/526187387.db2.gz	WFJRVWKISKTXMO-UHFFFAOYSA-N	0	0	352.822	1.912	10	10		FDCERN
COCC(=O)NC1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1	ZINC000185397206	536207353	/nfs/dbraw/zinc/20/73/53/536207353.db2.gz	IVZBWXQSNHWVQF-UHFFFAOYSA-N	0	0	374.485	1.579	10	10		FDCERN
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)C(=N)N21	ZINC000096459692	671524999	/nfs/dbraw/zinc/52/49/99/671524999.db2.gz	ADZPLXUPUDDODL-QWTHEVRYSA-N	0	0	373.419	1.789	10	10		FDCERN
COc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1	ZINC000096459622	671525054	/nfs/dbraw/zinc/52/50/54/671525054.db2.gz	VTCNCJGSGNXEID-QMWDNBGHSA-N	0	0	364.408	1.316	10	10		FDCERN
CN1CCCc2cc(CNC(=O)N3CC[C@@H](N4CCOCC4)C3)ccc21	ZINC000173906775	524482377	/nfs/dbraw/zinc/48/23/77/524482377.db2.gz	ZCNVNUOPXDCTER-GOSISDBHSA-N	0	0	358.486	1.685	10	10		FDCERN
CN(C)c1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1F	ZINC000173906736	524482840	/nfs/dbraw/zinc/48/28/40/524482840.db2.gz	PHWFEOKVEYVWGI-HNNXBMFYSA-N	0	0	350.438	1.508	10	10		FDCERN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCn2ncnc21	ZINC000177315983	525273604	/nfs/dbraw/zinc/27/36/04/525273604.db2.gz	XEUUKIXTQZKWDC-KRWDZBQOSA-N	0	0	370.457	1.791	10	10		FDCERN
Cc1cnn(CCNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1	ZINC000118062845	525428827	/nfs/dbraw/zinc/42/88/27/525428827.db2.gz	GMXXPJGJDKFWPC-UHFFFAOYSA-N	0	0	361.421	1.667	10	10		FDCERN
C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1N1CCOCC1	ZINC000154584316	671925323	/nfs/dbraw/zinc/92/53/23/671925323.db2.gz	YHZBYWSUHGAHAV-ZIAGYGMSSA-N	0	0	370.544	1.987	10	10		FDCERN
CN(C)S(=O)(=O)N[C@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	ZINC000004216874	207007572	/nfs/dbraw/zinc/00/75/72/207007572.db2.gz	JLVHTNZNKOSCNB-YSVLISHTSA-N	0	0	362.499	1.287	10	10	in-man	FDCERN
CC(C)C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@H]21	ZINC000004581201	207029716	/nfs/dbraw/zinc/02/97/16/207029716.db2.gz	AHUNSMBXSCWDLT-ZKNHNOBHSA-N	0	0	374.437	1.916	10	10		FDCERN
COc1cc(O)c(CN2CCN([C@@H](C)c3nc(C)no3)CC2)cc1OC	ZINC000160257678	524842492	/nfs/dbraw/zinc/84/24/92/524842492.db2.gz	MQHZPZZDQYDLLY-LBPRGKRZSA-N	0	0	362.430	1.980	10	10		FDCERN
CN(C)c1ccc(CNC(=O)CN2CCCN(c3cccnn3)CC2)cc1	ZINC000106070640	525562196	/nfs/dbraw/zinc/56/21/96/525562196.db2.gz	HVIOTJWDSUJXQT-UHFFFAOYSA-N	0	0	368.485	1.371	10	10		FDCERN
COc1ccc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@H](C)C2)cc1	ZINC000072477669	536677352	/nfs/dbraw/zinc/67/73/52/536677352.db2.gz	CJUJSDGUOBNQBQ-CQSZACIVSA-N	0	0	366.483	1.557	10	10		FDCERN
COc1ccc(N(C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1F	ZINC000177068169	525231615	/nfs/dbraw/zinc/23/16/15/525231615.db2.gz	TUOVFGZQROXFFY-ZDUSSCGKSA-N	0	0	358.369	1.928	10	10		FDCERN
O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CNC(=O)C1	ZINC000246939199	537054740	/nfs/dbraw/zinc/05/47/40/537054740.db2.gz	NGKYXDRSIRAGAX-RYUDHWBXSA-N	0	0	353.369	1.509	10	10		FDCERN
Cc1cccc(C(=O)NC2(N3CCOCC3)C(=O)c3ccccc3C2=O)c1	ZINC000226297650	537565650	/nfs/dbraw/zinc/56/56/50/537565650.db2.gz	RMNXCVKVWRTXBC-UHFFFAOYSA-N	0	0	364.401	1.833	10	10		FDCERN
O=C(NC1(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccccc1	ZINC000226297640	537566344	/nfs/dbraw/zinc/56/63/44/537566344.db2.gz	HQSHVISJOIAGOD-UHFFFAOYSA-N	0	0	350.374	1.524	10	10		FDCERN
COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@H]3C(N)=O)c2C)cc1	ZINC000091779973	524781012	/nfs/dbraw/zinc/78/10/12/524781012.db2.gz	IKYOPAQUYQXMSS-QGZVFWFLSA-N	0	0	357.410	1.429	10	10		FDCERN
COc1ccc(N2CCCN(C(=O)N[C@@H]3CCc4ncnn4C3)CC2)cc1	ZINC000161153997	525043572	/nfs/dbraw/zinc/04/35/72/525043572.db2.gz	ULOZUNJIVWIODC-OAHLLOKOSA-N	0	0	370.457	1.523	10	10		FDCERN
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C/c3ccco3)C(=N)N21	ZINC000096460695	671524956	/nfs/dbraw/zinc/52/49/56/671524956.db2.gz	PEXJFUZITSDOMG-SKSNQNAHSA-N	0	0	366.424	1.927	10	10		FDCERN
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000156206967	671952151	/nfs/dbraw/zinc/95/21/51/671952151.db2.gz	OCWQVFMMYMSXNG-INIZCTEOSA-N	0	0	362.499	1.660	10	10		FDCERN
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1	ZINC000156207082	671952525	/nfs/dbraw/zinc/95/25/25/671952525.db2.gz	OCWQVFMMYMSXNG-MRXNPFEDSA-N	0	0	362.499	1.660	10	10		FDCERN
C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1N1CCOCC1	ZINC000175807337	525013448	/nfs/dbraw/zinc/01/34/48/525013448.db2.gz	GOYGILDOGIOYPR-YLJYHZDGSA-N	0	0	370.497	1.925	10	10		FDCERN
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@H]1N1CCOCC1	ZINC000175807350	525013530	/nfs/dbraw/zinc/01/35/30/525013530.db2.gz	GOYGILDOGIOYPR-FXAWDEMLSA-N	0	0	370.497	1.925	10	10		FDCERN
Cc1cnn(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1	ZINC000118080478	525430820	/nfs/dbraw/zinc/43/08/20/525430820.db2.gz	WPFMIPALSPBRQL-UHFFFAOYSA-N	0	0	357.458	1.870	10	10		FDCERN
COCCN1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C	ZINC000106106886	525594871	/nfs/dbraw/zinc/59/48/71/525594871.db2.gz	LDAYGAASTFRTAX-QGZVFWFLSA-N	0	0	362.518	1.364	10	10		FDCERN
Cc1noc([C@@H]2COCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	ZINC000185080055	536197775	/nfs/dbraw/zinc/19/77/75/536197775.db2.gz	MTOOICBTPSSCJF-KRWDZBQOSA-N	0	0	373.457	1.476	10	10		FDCERN
COc1cc2[nH]c(=O)n(Cc3ccc(N(C)C)cc3)c(=O)c2cc1OC	ZINC000073658005	208187964	/nfs/dbraw/zinc/18/79/64/208187964.db2.gz	XIQRGDMZBGYXAH-UHFFFAOYSA-N	0	0	355.394	1.821	10	10		FDCERN
CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	ZINC000114948366	524926602	/nfs/dbraw/zinc/92/66/02/524926602.db2.gz	KLSDJHLSHPKMNB-CYBMUJFWSA-N	0	0	360.437	1.860	10	10		FDCERN
COc1ccc(N(C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1F	ZINC000177068185	525232338	/nfs/dbraw/zinc/23/23/38/525232338.db2.gz	TUOVFGZQROXFFY-CYBMUJFWSA-N	0	0	358.369	1.928	10	10		FDCERN
Cc1noc([C@H]2COCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1	ZINC000185080074	536197731	/nfs/dbraw/zinc/19/77/31/536197731.db2.gz	MTOOICBTPSSCJF-QGZVFWFLSA-N	0	0	373.457	1.476	10	10		FDCERN
COc1ccc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H](C)C2)cc1	ZINC000072477670	536676963	/nfs/dbraw/zinc/67/69/63/536676963.db2.gz	CJUJSDGUOBNQBQ-AWEZNQCLSA-N	0	0	366.483	1.557	10	10		FDCERN
Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(N4CCCC4)cc3)CCO2)[nH]1	ZINC000175399019	524957914	/nfs/dbraw/zinc/95/79/14/524957914.db2.gz	SADOEDCEQTWNMX-KRWDZBQOSA-N	0	0	370.457	1.996	10	10		FDCERN
C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1N1CCOCC1	ZINC000175730388	524997195	/nfs/dbraw/zinc/99/71/95/524997195.db2.gz	UKYDNIMKIUDNGM-KSSFIOAISA-N	0	0	364.465	1.754	10	10		FDCERN
Cc1ccc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c(O)c1O	ZINC000179483828	525591441	/nfs/dbraw/zinc/59/14/41/525591441.db2.gz	WOGUFCGNQKJCJR-KRWDZBQOSA-N	0	0	356.422	1.898	10	10		FDCERN
CCc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1	ZINC000096459861	671525051	/nfs/dbraw/zinc/52/50/51/671525051.db2.gz	BVRVDNCEPXIYBX-AHCHECIRSA-N	0	0	362.436	1.870	10	10		FDCERN
CC[C@@H](O)CN1CCN(C(=O)NCCCSc2nccs2)CC1	ZINC000181982271	672205599	/nfs/dbraw/zinc/20/55/99/672205599.db2.gz	JHQWYFNNHIJWLX-CYBMUJFWSA-N	0	0	358.533	1.723	10	10		FDCERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1	ZINC000193195212	537241921	/nfs/dbraw/zinc/24/19/21/537241921.db2.gz	OVXZYGFYDNQMSC-RTBURBONSA-N	0	0	359.470	1.521	10	10		FDCERN
C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H]1N1CCOCC1	ZINC000154584224	671925448	/nfs/dbraw/zinc/92/54/48/671925448.db2.gz	YHZBYWSUHGAHAV-KBPBESRZSA-N	0	0	370.544	1.987	10	10		FDCERN
CC(=O)Nc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC[C@H](O)[C@@H](O)C2)c1	ZINC000072145724	522170088	/nfs/dbraw/zinc/17/00/88/522170088.db2.gz	UWWOGIQWPNLPSG-OALUTQOASA-N	0	0	371.437	1.620	10	10		FDCERN
COCCN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1C	ZINC000155716760	525954281	/nfs/dbraw/zinc/95/42/81/525954281.db2.gz	YLMHMSYOEVZQIN-KRWDZBQOSA-N	0	0	358.486	1.925	10	10		FDCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCc2ncnn2C1	ZINC000112744682	524561664	/nfs/dbraw/zinc/56/16/64/524561664.db2.gz	MZHNJNLEGKMXQC-AWEZNQCLSA-N	0	0	374.420	1.068	10	10		FDCERN
C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@H]1N1CCOCC1	ZINC000175730974	524998975	/nfs/dbraw/zinc/99/89/75/524998975.db2.gz	LPXKGIVFGIFMDZ-JXFKEZNVSA-N	0	0	372.513	1.931	10	10		FDCERN
COc1ccc(N2CCN(C(=O)NCCn3cc(C)cn3)CC2)cc1F	ZINC000126045668	525266539	/nfs/dbraw/zinc/26/65/39/525266539.db2.gz	DOFQOPYWSNJCHT-UHFFFAOYSA-N	0	0	361.421	1.871	10	10		FDCERN
COC(=O)CN(Cc1nnnn1C(C)C)Cc1cc(Cl)ccc1O	ZINC000111238361	671631561	/nfs/dbraw/zinc/63/15/61/671631561.db2.gz	QZLCJSBRHFCREU-UHFFFAOYSA-N	0	0	353.810	1.788	10	10		FDCERN
Cc1cc(N2CCC[C@H](NC(=O)N(C)Cc3ccccc3O)C2=O)n(C)n1	ZINC000173563655	524417515	/nfs/dbraw/zinc/41/75/15/524417515.db2.gz	ANJWXBQXFATJCW-HNNXBMFYSA-N	0	0	371.441	1.771	10	10		FDCERN
COc1ccc(O)c(CNC(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c1	ZINC000181581171	525875501	/nfs/dbraw/zinc/87/55/01/525875501.db2.gz	GZWJUXODHBKTRL-ZDUSSCGKSA-N	0	0	359.430	1.930	10	10		FDCERN
CCc1noc([C@@H](C)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)n1	ZINC000112070981	524399430	/nfs/dbraw/zinc/39/94/30/524399430.db2.gz	ZLTSEPZARLTDCU-GFCCVEGCSA-N	0	0	360.414	1.945	10	10		FDCERN
C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H]1N1CCOCC1	ZINC000175807321	525011962	/nfs/dbraw/zinc/01/19/62/525011962.db2.gz	GOYGILDOGIOYPR-PXNSSMCTSA-N	0	0	370.497	1.925	10	10		FDCERN
CCn1cc(CN2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cn1	ZINC000179484212	525591962	/nfs/dbraw/zinc/59/19/62/525591962.db2.gz	WXOPJLYEKZGGBB-UHFFFAOYSA-N	0	0	358.442	1.971	10	10		FDCERN
C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NCc1ccc(O)cc1O	ZINC000910945927	857955856	/nfs/dbraw/zinc/95/58/56/857955856.db2.gz	FCNLGROJVJZMLJ-YJYMSZOUSA-N	0	0	370.405	1.530	10	10		FDCERN
C/C=C/C[C@@H](C)[C@@H](O)[C@H](C(=O)C(O)=C(NCCCC)[C@@H](C)O)N(C)C	ZINC000077286302	523285367	/nfs/dbraw/zinc/28/53/67/523285367.db2.gz	ARAWUIIVYIOWII-XHANDISLSA-N	0	0	356.507	1.157	10	10	in-vitro	FDCERN
CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)CC2	ZINC000114948367	524925665	/nfs/dbraw/zinc/92/56/65/524925665.db2.gz	KLSDJHLSHPKMNB-ZDUSSCGKSA-N	0	0	360.437	1.860	10	10		FDCERN
CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000156375325	526121535	/nfs/dbraw/zinc/12/15/35/526121535.db2.gz	RKBMKNZULIMLAW-MRXNPFEDSA-N	0	0	364.421	1.082	10	10		FDCERN
CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000156375200	526122080	/nfs/dbraw/zinc/12/20/80/526122080.db2.gz	RKBMKNZULIMLAW-INIZCTEOSA-N	0	0	364.421	1.082	10	10		FDCERN
C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(O)=C(NCCCC)[C@@H](C)O)N(C)C	ZINC000077286303	523284162	/nfs/dbraw/zinc/28/41/62/523284162.db2.gz	ARAWUIIVYIOWII-YPZJCNLSSA-N	0	0	356.507	1.157	10	10	in-vitro	FDCERN
CN(C)c1ccc(CNC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1	ZINC000115205580	524952627	/nfs/dbraw/zinc/95/26/27/524952627.db2.gz	VDIYIAFJPYDENV-MJGOQNOKSA-N	0	0	369.469	1.712	10	10		FDCERN
C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H]1C	ZINC000185800395	536217895	/nfs/dbraw/zinc/21/78/95/536217895.db2.gz	UAHMLZNWWQIKFT-UONOGXRCSA-N	0	0	352.454	1.488	10	10		FDCERN
COCCN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1C	ZINC000117486805	671663317	/nfs/dbraw/zinc/66/33/17/671663317.db2.gz	RMNYKXYLZGCQCN-CQSZACIVSA-N	0	0	352.454	1.754	10	10		FDCERN
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C[C@H](O)c2ccccc2)CC1	ZINC000146610072	524419109	/nfs/dbraw/zinc/41/91/09/524419109.db2.gz	BAGNLGJINAERAZ-JCOOBLOPSA-N	0	0	368.433	1.989	10	10		FDCERN
O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H](N2CCOCC2)C1	ZINC000173787096	524457039	/nfs/dbraw/zinc/45/70/39/524457039.db2.gz	QJJVJHAKINQRJC-IBGZPJMESA-N	0	0	358.486	1.903	10	10		FDCERN
COc1cc(Br)cc(CN2C[C@@H](C)O[C@H](C(N)=O)C2)c1O	ZINC000092005863	524828442	/nfs/dbraw/zinc/82/84/42/524828442.db2.gz	CDGFQZBZKCFQKG-PELKAZGASA-N	0	0	359.220	1.238	10	10		FDCERN
COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000171188147	525886452	/nfs/dbraw/zinc/88/64/52/525886452.db2.gz	VZOBSOBSXQRWBH-ZIAGYGMSSA-N	0	0	350.390	1.212	10	10		FDCERN
COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000171188141	525886558	/nfs/dbraw/zinc/88/65/58/525886558.db2.gz	VZOBSOBSXQRWBH-KBPBESRZSA-N	0	0	350.390	1.212	10	10		FDCERN
NC(=[NH2+])N[C@@H](CCO)c1cc(Br)cc(Br)c1[O-]	ZINC000575247896	550449678	/nfs/dbraw/zinc/44/96/78/550449678.db2.gz	ZQAFYAGUWOXGJR-QMMMGPOBSA-N	0	0	367.041	1.824	10	10		FDCERN
O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CNC(=O)C1	ZINC000173023988	524303547	/nfs/dbraw/zinc/30/35/47/524303547.db2.gz	NGKYXDRSIRAGAX-VXGBXAGGSA-N	0	0	353.369	1.509	10	10		FDCERN
Cc1cnn(C[C@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)c1	ZINC000112104106	524404811	/nfs/dbraw/zinc/40/48/11/524404811.db2.gz	MLZMNLXYYMAQOS-GOSISDBHSA-N	0	0	357.458	1.868	10	10		FDCERN
COc1ccc(O)c(CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)c1	ZINC000159986498	524782210	/nfs/dbraw/zinc/78/22/10/524782210.db2.gz	JAOQERKQMJHVSO-ZDUSSCGKSA-N	0	0	359.430	1.930	10	10		FDCERN
Cc1nn(C)c(C)c1CN1CCN(Cc2cc3c(cc2O)OCO3)CC1	ZINC000152668549	524963657	/nfs/dbraw/zinc/96/36/57/524963657.db2.gz	AJXIYNBRASBTNV-UHFFFAOYSA-N	0	0	358.442	1.789	10	10		FDCERN
CC[C@H](O)CN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	ZINC000184983552	536194696	/nfs/dbraw/zinc/19/46/96/536194696.db2.gz	YKLMOKCDPUTOAR-HNNXBMFYSA-N	0	0	352.454	1.490	10	10		FDCERN
Cc1nnc([C@@H]2CN(C(=O)NCc3ccc(N4CC=CC4)cc3)CCO2)[nH]1	ZINC000175571298	524977802	/nfs/dbraw/zinc/97/78/02/524977802.db2.gz	WPHDVLSGPXQMJM-KRWDZBQOSA-N	0	0	368.441	1.772	10	10		FDCERN
O=C(N[C@@H]1CCc2ncnn2C1)N(Cc1ccccc1O)C[C@H]1CCCO1	ZINC000161110956	525035194	/nfs/dbraw/zinc/03/51/94/525035194.db2.gz	IXWNYIIOMVCOAT-HZPDHXFCSA-N	0	0	371.441	1.689	10	10		FDCERN
[N-]=[N+]=N[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccccc1	ZINC000616584595	555319873	/nfs/dbraw/zinc/31/98/73/555319873.db2.gz	AFIXVZNPXUZOOE-YRGRVCCFSA-N	0	0	357.326	1.772	10	10		FDCERN
CC[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1	ZINC000181817637	525944378	/nfs/dbraw/zinc/94/43/78/525944378.db2.gz	YXQMFDDQHRDTDM-IBGZPJMESA-N	0	0	358.486	1.661	10	10		FDCERN
C[C@@H]1COC[C@H](C)N1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	ZINC000120888901	526212123	/nfs/dbraw/zinc/21/21/23/526212123.db2.gz	JZZLMRVQPHBGKB-GASCZTMLSA-N	0	0	365.449	1.388	10	10		FDCERN
CC[C@@H](O)CN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1	ZINC000184983567	536194771	/nfs/dbraw/zinc/19/47/71/536194771.db2.gz	YKLMOKCDPUTOAR-OAHLLOKOSA-N	0	0	352.454	1.490	10	10		FDCERN
CC(C)C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21	ZINC000019848922	220302000	/nfs/dbraw/zinc/30/20/00/220302000.db2.gz	AHUNSMBXSCWDLT-QOIOWGMHSA-N	0	0	374.437	1.916	10	10		FDCERN
C[C@@H](NC(N)=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1	ZINC000081203194	523950585	/nfs/dbraw/zinc/95/05/85/523950585.db2.gz	CAYZDSOACLHUNJ-MNOVXSKESA-N	0	0	356.373	1.430	10	10		FDCERN
COc1cc(Br)cc(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)c1O	ZINC000092005857	524828735	/nfs/dbraw/zinc/82/87/35/524828735.db2.gz	CDGFQZBZKCFQKG-PRHODGIISA-N	0	0	359.220	1.238	10	10		FDCERN
Cc1nnc([C@H]2CN(C(=O)NCc3ccc4c(c3)CCCN4C)CCO2)[nH]1	ZINC000175466704	524966862	/nfs/dbraw/zinc/96/68/62/524966862.db2.gz	JCDNGJOGJHPKPB-QGZVFWFLSA-N	0	0	370.457	1.779	10	10		FDCERN
CN(C)c1ccc(CNC(=O)N2CCCN(Cc3cnn(C)c3)CC2)cc1	ZINC000115633930	525035111	/nfs/dbraw/zinc/03/51/11/525035111.db2.gz	RORLBIBDKFKKTA-UHFFFAOYSA-N	0	0	370.501	1.904	10	10		FDCERN
COC(=O)/C=C/c1ccc(N2CCO[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1	ZINC000108949358	526048631	/nfs/dbraw/zinc/04/86/31/526048631.db2.gz	FNVLIRQNRDSYLZ-DRDHIDPGSA-N	0	0	372.381	1.883	10	10		FDCERN
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1	ZINC000188485343	536294430	/nfs/dbraw/zinc/29/44/30/536294430.db2.gz	MTIRUQJBRIVXPM-RTBURBONSA-N	0	0	359.470	1.617	10	10		FDCERN
O=C(NCCCSc1nccs1)N1CCO[C@H](Cn2cccn2)C1	ZINC000154649613	671926321	/nfs/dbraw/zinc/92/63/21/671926321.db2.gz	FJQOJZDEHMQAPU-ZDUSSCGKSA-N	0	0	367.500	1.932	10	10		FDCERN
CN1CCCc2cc(CNC(=O)N3CCO[C@H](Cn4cccn4)C3)ccc21	ZINC000111845398	524357480	/nfs/dbraw/zinc/35/74/80/524357480.db2.gz	LKBDJMKNCGZEFF-SFHVURJKSA-N	0	0	369.469	1.876	10	10		FDCERN
CC(=O)c1cc(F)cc(CN2CCN(c3ccc4nncn4n3)CC2)c1O	ZINC000175645220	524987919	/nfs/dbraw/zinc/98/79/19/524987919.db2.gz	OHSGUHOPGRUSKW-UHFFFAOYSA-N	0	0	370.388	1.494	10	10		FDCERN
Cc1ccc(N2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)nn1	ZINC000180775628	525755103	/nfs/dbraw/zinc/75/51/03/525755103.db2.gz	NSPVZWXQOXSZPE-VMPITWQZSA-N	0	0	354.410	1.948	10	10		FDCERN
COc1ccc(N2CCOCC2)cc1Nc1nc(N)n(-c2ccccn2)n1	ZINC000072128605	536707341	/nfs/dbraw/zinc/70/73/41/536707341.db2.gz	WPFRNEQAKJNVPZ-UHFFFAOYSA-N	0	0	367.413	1.833	10	10		FDCERN
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000100870788	222255569	/nfs/dbraw/zinc/25/55/69/222255569.db2.gz	VULKDOXPKPVHAO-IHSNIMORSA-N	0	0	366.373	1.686	10	10		FDCERN
CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	ZINC000103477270	525358902	/nfs/dbraw/zinc/35/89/02/525358902.db2.gz	NLBYRHKFXQDWMN-KRWDZBQOSA-N	0	0	370.501	1.860	10	10		FDCERN
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(O)c2O)C1	ZINC000702771511	884221580	/nfs/dbraw/zinc/22/15/80/884221580.db2.gz	SOLWSVLOHIUDQS-GXFFZTMASA-N	0	0	352.387	1.055	10	10		FDCERN
COCCNC(=O)Nc1nc2c(s1)c(N1CCOCC1)ccc2OC	ZINC000148171389	524443859	/nfs/dbraw/zinc/44/38/59/524443859.db2.gz	JIHKQOQGARSMSL-UHFFFAOYSA-N	0	0	366.443	1.909	10	10		FDCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCc2ncnn2C1	ZINC000112744681	524562236	/nfs/dbraw/zinc/56/22/36/524562236.db2.gz	MZHNJNLEGKMXQC-CQSZACIVSA-N	0	0	374.420	1.068	10	10		FDCERN
C[C@@H](NC(N)=O)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000122908512	524641909	/nfs/dbraw/zinc/64/19/09/524641909.db2.gz	TWWYOGOOQXLDMU-SNVBAGLBSA-N	0	0	374.363	1.215	10	10		FDCERN
CCN(CC)c1ccc(CNC(=O)NC[C@H]2CN(C)CCO2)cc1F	ZINC000109018786	526058128	/nfs/dbraw/zinc/05/81/28/526058128.db2.gz	XYZGAUWZYQWWFT-HNNXBMFYSA-N	0	0	352.454	1.802	10	10		FDCERN
O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000171902819	526174985	/nfs/dbraw/zinc/17/49/85/526174985.db2.gz	MTFFVLTWNNRLSX-MRXNPFEDSA-N	0	0	362.449	1.652	10	10		FDCERN
CC[C@H](O)CN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	ZINC000184864643	536188334	/nfs/dbraw/zinc/18/83/34/536188334.db2.gz	CJKPPTJKYPABCE-IBGZPJMESA-N	0	0	360.502	1.885	10	10		FDCERN
COC(=O)/C=C/c1ccc(N2CC(NC(=O)C3CCC3)C2)c([N+](=O)[O-])c1	ZINC000186459041	536234817	/nfs/dbraw/zinc/23/48/17/536234817.db2.gz	NWDWJWMCXOEIEQ-SOFGYWHQSA-N	0	0	359.382	1.886	10	10		FDCERN
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000161227336	525059551	/nfs/dbraw/zinc/05/95/51/525059551.db2.gz	MZOSZHNICDYLOL-MRXNPFEDSA-N	0	0	370.457	1.271	10	10		FDCERN
O=C(NC1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1)C1CCC1	ZINC000188865975	536961676	/nfs/dbraw/zinc/96/16/76/536961676.db2.gz	ALVKZUHNFUXHFK-UHFFFAOYSA-N	0	0	354.454	1.873	10	10		FDCERN
NC(=[NH2+])N[C@@H](CO)c1cc(Br)cc(Br)c1[O-]	ZINC000396460240	537788887	/nfs/dbraw/zinc/78/88/87/537788887.db2.gz	DSUHDJJWFZMWTP-ZETCQYMHSA-N	0	0	353.014	1.434	10	10		FDCERN
C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccccc1Br	ZINC000060864644	671290240	/nfs/dbraw/zinc/29/02/40/671290240.db2.gz	HZRPIKPHDCNHNJ-ZETCQYMHSA-N	0	0	354.229	1.515	10	10		FDCERN
CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NN1CCOCC1	ZINC000013397575	220067364	/nfs/dbraw/zinc/06/73/64/220067364.db2.gz	AOUYYCNJLIGUTK-SDNWHVSQSA-N	0	0	350.806	1.757	10	10		FDCERN
COC(=O)[C@@H]1N[C@H](c2ccc(N3CCCC3)c(C)c2)[C@@H]2C(=O)N(C)C(=O)[C@H]12	ZINC000065369974	221203508	/nfs/dbraw/zinc/20/35/08/221203508.db2.gz	QLRUWCRXRBFCRB-YYIAUSFCSA-N	0	0	371.437	1.012	10	10		FDCERN
CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)cc1	ZINC000115205583	524953079	/nfs/dbraw/zinc/95/30/79/524953079.db2.gz	VDIYIAFJPYDENV-HKUYNNGSSA-N	0	0	369.469	1.712	10	10		FDCERN
CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)cc1	ZINC000115205581	524953407	/nfs/dbraw/zinc/95/34/07/524953407.db2.gz	VDIYIAFJPYDENV-PKOBYXMFSA-N	0	0	369.469	1.712	10	10		FDCERN
Cc1cnn(C[C@H]2CN(CC(=O)NCc3ccc(N(C)C)cc3)CCO2)c1	ZINC000106197423	525667470	/nfs/dbraw/zinc/66/74/70/525667470.db2.gz	FKMHLSRVKNBXMU-LJQANCHMSA-N	0	0	371.485	1.275	10	10		FDCERN
CCc1nnc([C@H]2CN(C(=O)NCc3ccc(N(C)C)cc3)CCO2)[nH]1	ZINC000130040505	525716075	/nfs/dbraw/zinc/71/60/75/525716075.db2.gz	VPHVDTQPYCJWRE-OAHLLOKOSA-N	0	0	358.446	1.716	10	10		FDCERN
C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1N1CCOCC1	ZINC000246302708	536922143	/nfs/dbraw/zinc/92/21/43/536922143.db2.gz	BWYVZOUUXJLVOP-QFBILLFUSA-N	0	0	360.502	1.021	10	10		FDCERN
CC[C@H](O)CN1CCN(C(=O)NCCCSc2nccs2)CC1	ZINC000181982251	672205733	/nfs/dbraw/zinc/20/57/33/672205733.db2.gz	JHQWYFNNHIJWLX-ZDUSSCGKSA-N	0	0	358.533	1.723	10	10		FDCERN