smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)N2CCCC2)c1	ZINC000009950854	195033518	/nfs/dbraw/zinc/03/35/18/195033518.db2.gz	YBTJPYLMIGUPRM-RUZDIDTESA-N	0	1	496.633	2.921	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102508088	130162653	/nfs/dbraw/zinc/16/26/53/130162653.db2.gz	AFPKBMRDGYCEBS-PGVNHDJNSA-N	0	1	478.549	2.952	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102525403	130177673	/nfs/dbraw/zinc/17/76/73/130177673.db2.gz	HEUGKOOLKFVNBQ-HOGKFDNTSA-N	0	1	464.518	2.536	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000102618355	130225367	/nfs/dbraw/zinc/22/53/67/130225367.db2.gz	WADWNCDMBXDLMV-HOGKFDNTSA-N	0	1	470.497	2.684	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c(OC)c1	ZINC000102736114	130280530	/nfs/dbraw/zinc/28/05/30/130280530.db2.gz	KCLDTBLEYDEIMO-MRJHHRETSA-N	0	1	458.486	2.835	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c(C)n1	ZINC000102746238	130287498	/nfs/dbraw/zinc/28/74/98/130287498.db2.gz	WPVKCRKXTZYLDC-NHFXJNLRSA-N	0	1	456.930	2.501	50	30		JFEAMN
C#CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C1CCCCC1	ZINC000036207248	518306606	/nfs/dbraw/zinc/30/66/06/518306606.db2.gz	CHJKPLYMMUQTCR-KRWDZBQOSA-N	0	1	461.584	2.615	50	30		JFEAMN
C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249824	518994618	/nfs/dbraw/zinc/99/46/18/518994618.db2.gz	MJDJVXCBSMMMBU-YADHBBJMSA-N	0	1	457.571	2.723	50	30		JFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000009312888	520772819	/nfs/dbraw/zinc/77/28/19/520772819.db2.gz	SLYMWYZPSVYQIA-SBXHHDGASA-N	0	1	496.560	2.862	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000020547313	521754529	/nfs/dbraw/zinc/75/45/29/521754529.db2.gz	RVPPQVXFCBSTSL-QFIPXVFZSA-N	0	1	451.523	2.664	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009349787	522171691	/nfs/dbraw/zinc/17/16/91/522171691.db2.gz	JIBHJOMOJZPCPA-QRQCRPRQSA-N	0	1	464.518	2.937	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)C[C@H]1OC	ZINC000035982580	522649261	/nfs/dbraw/zinc/64/92/61/522649261.db2.gz	NGYYJZPVJRGOGG-YCASGBEESA-N	0	1	468.550	2.653	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)C[C@H]1OC	ZINC000035982580	522649271	/nfs/dbraw/zinc/64/92/71/522649271.db2.gz	NGYYJZPVJRGOGG-YCASGBEESA-N	0	1	468.550	2.653	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008662368	522917709	/nfs/dbraw/zinc/91/77/09/522917709.db2.gz	DRUAKIFFMOQTGC-JOCHJYFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1	ZINC000017206183	523281656	/nfs/dbraw/zinc/28/16/56/523281656.db2.gz	DEPTUNLSEBQQMY-HXUWFJFHSA-N	0	1	476.526	2.691	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000009272758	523558729	/nfs/dbraw/zinc/55/87/29/523558729.db2.gz	IMOGXXVBFAMWKO-JOCHJYFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)c(C)c1	ZINC000009019932	523560767	/nfs/dbraw/zinc/56/07/67/523560767.db2.gz	XLPKWTDGTOFJAV-HSZRJFAPSA-N	0	1	466.534	2.923	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000009177787	524891981	/nfs/dbraw/zinc/89/19/81/524891981.db2.gz	WDHNLURGNAVWRS-XMMPIXPASA-N	0	1	496.560	2.931	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000009043977	525386689	/nfs/dbraw/zinc/38/66/89/525386689.db2.gz	JVQKNRISYORPTJ-QFIPXVFZSA-N	0	1	464.522	2.800	50	30		JFEAMN
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CN3CCN(Cc4ccccc4)CC3)c2c1C#N	ZINC000020479417	526144170	/nfs/dbraw/zinc/14/41/70/526144170.db2.gz	JZMZJELIIXNAIZ-JOCHJYFZSA-N	0	1	455.562	2.613	50	30		JFEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(CCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000009444440	527120597	/nfs/dbraw/zinc/12/05/97/527120597.db2.gz	OBQRMXVNUKLEEU-ZMOGYAJESA-N	0	1	497.353	2.591	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1	ZINC000102369157	534968407	/nfs/dbraw/zinc/96/84/07/534968407.db2.gz	ZWCHLDNOQDBQAO-MOBKVPTQSA-N	0	1	451.523	2.623	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000102746600	536565541	/nfs/dbraw/zinc/56/55/41/536565541.db2.gz	PIXMFMSGUDZUIJ-MRJHHRETSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000102706354	536565787	/nfs/dbraw/zinc/56/57/87/536565787.db2.gz	KCQVCQUDAVLPPT-MRJHHRETSA-N	0	1	470.522	2.704	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000102882727	536566808	/nfs/dbraw/zinc/56/68/08/536566808.db2.gz	GGPIEZAUIZWJPT-AYWGPLOBSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102539840	536568021	/nfs/dbraw/zinc/56/80/21/536568021.db2.gz	ONVSXWYRLPPIED-MOBKVPTQSA-N	0	1	481.505	2.666	50	30		JFEAMN
CCCCCCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000005294900	554488066	/nfs/dbraw/zinc/48/80/66/554488066.db2.gz	RACDVARCOLXJIZ-UHFFFAOYSA-N	0	1	463.336	2.918	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000008438548	554589742	/nfs/dbraw/zinc/58/97/42/554589742.db2.gz	BUNCMOREHSPNGQ-HSZRJFAPSA-N	0	1	466.534	2.923	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000008739432	554641184	/nfs/dbraw/zinc/64/11/84/554641184.db2.gz	NMBPXULNFAWCPU-JOCHJYFZSA-N	0	1	451.523	2.781	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c1C	ZINC000008817236	554699859	/nfs/dbraw/zinc/69/98/59/554699859.db2.gz	MBKCKJPLNMTXMK-QFIPXVFZSA-N	0	1	499.539	2.858	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1C	ZINC000008834935	554733292	/nfs/dbraw/zinc/73/32/92/554733292.db2.gz	BATGKMGOMOOMBB-QFIPXVFZSA-N	0	1	499.539	2.858	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc(OC)cc2)CC1	ZINC000008836130	554735892	/nfs/dbraw/zinc/73/58/92/554735892.db2.gz	OQKBGPGOXYNZOM-FQEVSTJZSA-N	0	1	488.548	2.840	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1Cl	ZINC000008859417	554756022	/nfs/dbraw/zinc/75/60/22/554756022.db2.gz	PWLXYYYNUODYKM-HXUWFJFHSA-N	0	1	457.914	2.654	50	30		JFEAMN
CCN1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000008871160	554766346	/nfs/dbraw/zinc/76/63/46/554766346.db2.gz	UIOFRSUKBLFXRR-OAQYLSRUSA-N	0	1	451.552	2.819	50	30		JFEAMN
COc1c(C=NN=c2nc(Nc3cccc([N+](=O)[O-])c3)[nH]c(N3CCOCC3)n2)cccc1[N+](=O)[O-]	ZINC000008872808	554769510	/nfs/dbraw/zinc/76/95/10/554769510.db2.gz	DFYSRJNNBUWVTB-LPYMAVHISA-N	0	1	495.456	2.723	50	30		JFEAMN
C=CCOc1ccccc1CN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1	ZINC000019835519	555506707	/nfs/dbraw/zinc/50/67/07/555506707.db2.gz	WSMGVHBOOZFZOP-UHFFFAOYSA-N	0	1	463.557	2.942	50	30		JFEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1	ZINC000019882571	555527561	/nfs/dbraw/zinc/52/75/61/555527561.db2.gz	HHWXYIYXPKQUOJ-LJQANCHMSA-N	0	1	472.339	2.755	50	30		JFEAMN
COc1ccccc1[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCC1	ZINC000009846589	555546075	/nfs/dbraw/zinc/54/60/75/555546075.db2.gz	GFELKNFYQOWMOU-DEOSSOPVSA-N	0	1	496.633	2.921	50	30		JFEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c(C)n1	ZINC000013690776	555584865	/nfs/dbraw/zinc/58/48/65/555584865.db2.gz	NNFUKCQFQUUJOC-GOSISDBHSA-N	0	1	459.344	2.996	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000020029568	555604954	/nfs/dbraw/zinc/60/49/54/555604954.db2.gz	KLZXUUXWCJOTQD-QFIPXVFZSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020218897	555712797	/nfs/dbraw/zinc/71/27/97/555712797.db2.gz	VZNSPWYRQDREDG-YQTDCCHMSA-N	0	1	468.506	2.607	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c(OC)c1	ZINC000020219247	555713498	/nfs/dbraw/zinc/71/34/98/555713498.db2.gz	SNQDYWJCDLCVSY-QFIPXVFZSA-N	0	1	468.506	2.615	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000020229895	555720700	/nfs/dbraw/zinc/72/07/00/555720700.db2.gz	JCDFMNNJDVWPJL-FQEVSTJZSA-N	0	1	455.467	2.752	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1	ZINC000020232417	555722815	/nfs/dbraw/zinc/72/28/15/555722815.db2.gz	ZKEMHUDHKICTBT-HSZRJFAPSA-N	0	1	464.518	2.758	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1Cl	ZINC000012757680	556108477	/nfs/dbraw/zinc/10/84/77/556108477.db2.gz	MHHZRZUNXCGNNR-FQEVSTJZSA-N	0	1	457.914	2.654	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccs3)ccc2O1	ZINC000024146868	556123478	/nfs/dbraw/zinc/12/34/78/556123478.db2.gz	YJOJAVSMIGDXDQ-YCRPNKLZSA-N	0	1	454.548	2.982	50	30		JFEAMN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1	ZINC000012913214	556132105	/nfs/dbraw/zinc/13/21/05/556132105.db2.gz	KKGPXOKLANOPNI-QGZVFWFLSA-N	0	1	456.568	2.679	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000016741477	556156485	/nfs/dbraw/zinc/15/64/85/556156485.db2.gz	GQZRWKRXVHARGV-QFIPXVFZSA-N	0	1	469.490	2.553	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OC)c1OC	ZINC000016742173	556156842	/nfs/dbraw/zinc/15/68/42/556156842.db2.gz	SSOPPPUJKMOYCX-FQEVSTJZSA-N	0	1	455.463	2.700	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1C	ZINC000017194851	556238106	/nfs/dbraw/zinc/23/81/06/556238106.db2.gz	KMSIIKVIJWKPRV-JOCHJYFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000018180928	556299453	/nfs/dbraw/zinc/29/94/53/556299453.db2.gz	SKRVLZYXMOTLRB-HXUWFJFHSA-N	0	1	454.479	2.572	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1	ZINC000008667104	562949049	/nfs/dbraw/zinc/94/90/49/562949049.db2.gz	COIOSSMKSSHSIV-FQEVSTJZSA-N	0	1	466.563	2.923	50	30		JFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008715766	569596401	/nfs/dbraw/zinc/59/64/01/569596401.db2.gz	LXNQVLQGHZYNAB-JOCHJYFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4c(C)cccc4C)CC3)co2)CC1	ZINC000034677775	569642114	/nfs/dbraw/zinc/64/21/14/569642114.db2.gz	HXHWXBRAOWLION-QHCPKHFHSA-N	0	1	481.641	2.699	50	30		JFEAMN
CCOC(=O)/C(=C\NN1CCCN2CCCN=C21)C(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000072434021	569704048	/nfs/dbraw/zinc/70/40/48/569704048.db2.gz	OSPGRBFPENPVHJ-QBFSEMIESA-N	0	1	470.313	2.803	50	30		JFEAMN
COc1cccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)c1	ZINC000084689276	569709566	/nfs/dbraw/zinc/70/95/66/569709566.db2.gz	VTTSPDHJTJWVCE-PDGQHHTCSA-N	0	1	488.547	2.635	50	30		JFEAMN
C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c2cccc(Cl)c21	ZINC000095474784	569724239	/nfs/dbraw/zinc/72/42/39/569724239.db2.gz	QHRIKZXMXKKIAW-QFIPXVFZSA-N	0	1	458.869	2.758	50	30		JFEAMN
O=C(c1ccncc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1	ZINC000101072294	569781438	/nfs/dbraw/zinc/78/14/38/569781438.db2.gz	OZQHLRGVFFKULU-YDJIHCHBSA-N	0	1	486.366	2.988	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101287001	569789222	/nfs/dbraw/zinc/78/92/22/569789222.db2.gz	NQPLJHOBYMONPI-AYWGPLOBSA-N	0	1	493.516	2.914	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)c1C	ZINC000102928745	569827388	/nfs/dbraw/zinc/82/73/88/569827388.db2.gz	BVEPTLBPXQSQBY-ASBZNUFUSA-N	0	1	457.502	2.931	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1	ZINC000102932775	569828734	/nfs/dbraw/zinc/82/87/34/569828734.db2.gz	MYSFWRVJZRNFEI-PGVNHDJNSA-N	0	1	466.563	2.848	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21	ZINC000106336468	569854064	/nfs/dbraw/zinc/85/40/64/569854064.db2.gz	AJSNFODMFXEQAY-JTDSTZFVSA-N	0	1	498.413	2.679	50	30		JFEAMN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327448	570065327	/nfs/dbraw/zinc/06/53/27/570065327.db2.gz	JJAXHNJWDJVYCW-FCHUYYIVSA-N	0	1	475.561	2.862	50	30		JFEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C	ZINC000254763924	570106204	/nfs/dbraw/zinc/10/62/04/570106204.db2.gz	KOBRRPCUQXGVBG-UHFFFAOYSA-N	0	1	477.363	2.697	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000009354126	124113216	/nfs/dbraw/zinc/11/32/16/124113216.db2.gz	DEIZTHAXQLDCNU-AYWGPLOBSA-N	0	1	482.533	2.848	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000102486456	130140711	/nfs/dbraw/zinc/14/07/11/130140711.db2.gz	BSOZPQSAFRCMFA-YHSLPNTHSA-N	0	1	451.475	2.865	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102505810	130160123	/nfs/dbraw/zinc/16/01/23/130160123.db2.gz	JGOLXXNHDBVHEL-QOJBNDRUSA-N	0	1	484.509	2.700	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102538398	130193040	/nfs/dbraw/zinc/19/30/40/130193040.db2.gz	XWPITKAJEKJQOI-OBVHCKHUSA-N	0	1	497.548	2.578	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000102555089	130205567	/nfs/dbraw/zinc/20/55/67/130205567.db2.gz	PKSBYPDORZXRAI-HOGKFDNTSA-N	0	1	471.506	2.533	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000102614472	130224405	/nfs/dbraw/zinc/22/44/05/130224405.db2.gz	ULGPPMCBFYATLV-HOGKFDNTSA-N	0	1	471.506	2.620	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102648035	130230406	/nfs/dbraw/zinc/23/04/06/130230406.db2.gz	AVLILEZRXWCJFP-IYGWJSLMSA-N	0	1	478.545	2.773	50	30		JFEAMN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1	ZINC000102874979	130346982	/nfs/dbraw/zinc/34/69/82/130346982.db2.gz	HERJYNZFNCLJBH-HOGKFDNTSA-N	0	1	454.498	2.978	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000102879364	130354179	/nfs/dbraw/zinc/35/41/79/130354179.db2.gz	GRILFZIGGKYGFD-PGVNHDJNSA-N	0	1	499.564	2.809	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000102880991	130357499	/nfs/dbraw/zinc/35/74/99/130357499.db2.gz	KQDQDXRVGYGMCI-WZLGSTDNSA-N	0	1	478.545	2.860	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(O)cc1	ZINC000102896849	130378579	/nfs/dbraw/zinc/37/85/79/130378579.db2.gz	DPOWCQNIVXMQNZ-MOBKVPTQSA-N	0	1	461.474	2.872	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309970	518307799	/nfs/dbraw/zinc/30/77/99/518307799.db2.gz	SWTAJAFUZPRWQC-IRLDBZIGSA-N	0	1	456.608	2.894	50	30		JFEAMN
C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1	ZINC000011394332	518967322	/nfs/dbraw/zinc/96/73/22/518967322.db2.gz	DNQBUGKJRVHSEK-LBPRGKRZSA-N	0	1	477.597	2.846	50	30		JFEAMN
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCN1CCOCC1	ZINC000020358240	519865555	/nfs/dbraw/zinc/86/55/55/519865555.db2.gz	IIRBMVZBKDFZFS-MHZLTWQESA-N	0	1	493.560	2.799	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000004039836	521359549	/nfs/dbraw/zinc/35/95/49/521359549.db2.gz	OEWDYLWFHUJFFA-NRFANRHFSA-N	0	1	499.564	2.965	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1OC	ZINC000009123159	523375522	/nfs/dbraw/zinc/37/55/22/523375522.db2.gz	ONFLQJIUMXCQPL-ZHHPLPSFSA-N	0	1	466.534	2.766	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)cc1	ZINC000004042634	523560923	/nfs/dbraw/zinc/56/09/23/523560923.db2.gz	VVICLPIUTZZVAP-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016346870	523662613	/nfs/dbraw/zinc/66/26/13/523662613.db2.gz	XZSIBNOTUHHFOF-AHYKXKOGSA-N	0	1	488.493	2.874	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000016737474	523795810	/nfs/dbraw/zinc/79/58/10/523795810.db2.gz	XSNRFHANOATECN-NRFANRHFSA-N	0	1	455.463	2.700	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000004040071	524021431	/nfs/dbraw/zinc/02/14/31/524021431.db2.gz	UFQDSNKMNHZQSB-HXUWFJFHSA-N	0	1	485.537	2.575	50	30		JFEAMN
C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1	ZINC000004328160	525073323	/nfs/dbraw/zinc/07/33/23/525073323.db2.gz	QHNOUQJNDDRBIG-JFIYKMOQSA-N	0	1	459.506	2.896	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000008996921	525383741	/nfs/dbraw/zinc/38/37/41/525383741.db2.gz	UBTDJKJLIFUSAC-MOBKVPTQSA-N	0	1	470.497	2.597	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000015837037	525517962	/nfs/dbraw/zinc/51/79/62/525517962.db2.gz	MGDUIWMFACWUAS-IQGLISFBSA-N	0	1	491.588	2.987	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000016286581	525519030	/nfs/dbraw/zinc/51/90/30/525519030.db2.gz	YOZAHOFVSPISBL-MWTRTKDXSA-N	0	1	493.516	2.829	50	30		JFEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1	ZINC000009008920	526952554	/nfs/dbraw/zinc/95/25/54/526952554.db2.gz	JGLCZBUGXXSWSQ-LFVOPCPISA-N	0	1	472.339	2.598	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009042955	527091304	/nfs/dbraw/zinc/09/13/04/527091304.db2.gz	CDEOBMAMVYIHPR-HXUWFJFHSA-N	0	1	463.494	2.999	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1	ZINC000015837194	527672320	/nfs/dbraw/zinc/67/23/20/527672320.db2.gz	RYMPVNVJXYTEPA-OAQYLSRUSA-N	0	1	470.909	2.979	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1F	ZINC000102751944	536567839	/nfs/dbraw/zinc/56/78/39/536567839.db2.gz	DVVVPLQUIKJTHM-MRJHHRETSA-N	0	1	458.461	2.727	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102877441	536567900	/nfs/dbraw/zinc/56/79/00/536567900.db2.gz	DIWMXZJYDIIIGL-MOBKVPTQSA-N	0	1	481.505	2.666	50	30		JFEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1	ZINC000000728064	553774837	/nfs/dbraw/zinc/77/48/37/553774837.db2.gz	XNSGNCPQOKPOER-NRFANRHFSA-N	0	1	478.530	2.505	50	30		JFEAMN
Cc1ccc(Cn2c(NN=Cc3cc(Br)ccc3O)nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000005356414	554489009	/nfs/dbraw/zinc/48/90/09/554489009.db2.gz	KDWLGSJZSAYUKG-BHGWPJFGSA-N	0	1	497.353	2.705	50	30		JFEAMN
CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008438536	554589721	/nfs/dbraw/zinc/58/97/21/554589721.db2.gz	YJFKSLZJZKEHKW-QHCPKHFHSA-N	0	1	482.533	2.710	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F	ZINC000008826912	554716800	/nfs/dbraw/zinc/71/68/00/554716800.db2.gz	VCAMGWHBRJACRQ-JOCHJYFZSA-N	0	1	464.497	2.692	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837703	554738816	/nfs/dbraw/zinc/73/88/16/554738816.db2.gz	HHAZKUMTEMQZCW-HXUWFJFHSA-N	0	1	463.494	2.999	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837703	554738818	/nfs/dbraw/zinc/73/88/18/554738818.db2.gz	HHAZKUMTEMQZCW-HXUWFJFHSA-N	0	1	463.494	2.999	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000008897051	554787265	/nfs/dbraw/zinc/78/72/65/554787265.db2.gz	YYFOBWJAOWYVKT-HSZRJFAPSA-N	0	1	482.508	2.898	50	30		JFEAMN
COc1ccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1Cl	ZINC000013550415	555491302	/nfs/dbraw/zinc/49/13/02/555491302.db2.gz	IWXLFYKZZRICSE-MFKUBSTISA-N	0	1	499.959	2.913	50	30		JFEAMN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883845	555528107	/nfs/dbraw/zinc/52/81/07/555528107.db2.gz	FKEDPANYCSRMLE-HXUWFJFHSA-N	0	1	455.442	2.644	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000019938419	555556167	/nfs/dbraw/zinc/55/61/67/555556167.db2.gz	GLXSUFMNSNGURS-JOCHJYFZSA-N	0	1	468.506	2.615	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1F	ZINC000013735845	555606094	/nfs/dbraw/zinc/60/60/94/555606094.db2.gz	YODRXLXWZOMYPK-OAQYLSRUSA-N	0	1	458.461	2.884	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C	ZINC000020219160	555713055	/nfs/dbraw/zinc/71/30/55/555713055.db2.gz	WFZKXWBKJFMEPI-JOCHJYFZSA-N	0	1	481.549	2.637	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020219522	555714874	/nfs/dbraw/zinc/71/48/74/555714874.db2.gz	KRUOMURMDFXXER-JOCHJYFZSA-N	0	1	452.507	2.996	50	30		JFEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020266950	555748388	/nfs/dbraw/zinc/74/83/88/555748388.db2.gz	ZRYRLKPIOFUOSE-XMMPIXPASA-N	0	1	494.544	2.767	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2OC)c(O)c1	ZINC000020309421	555766514	/nfs/dbraw/zinc/76/65/14/555766514.db2.gz	IQIVEJOUKWPMBC-QHCPKHFHSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3cc(C)c(C)cc3O)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020309850	555767613	/nfs/dbraw/zinc/76/76/13/555767613.db2.gz	CSQCCMOREBKERI-HSZRJFAPSA-N	0	1	466.534	2.928	50	30		JFEAMN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CCN(C)C	ZINC000024334796	556129437	/nfs/dbraw/zinc/12/94/37/556129437.db2.gz	KURCVDKUUYQEFF-AREMUKBSSA-N	0	1	463.534	2.664	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000017167273	556230392	/nfs/dbraw/zinc/23/03/92/556230392.db2.gz	SCJDKZKCFMQTQE-OJZVVMIASA-N	0	1	461.587	2.941	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000018090368	556286244	/nfs/dbraw/zinc/28/62/44/556286244.db2.gz	MYPFYLNGLKHMFN-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000061868504	569609162	/nfs/dbraw/zinc/60/91/62/569609162.db2.gz	YEFZMQBBUXDESS-IBGZPJMESA-N	0	1	470.533	2.590	50	30		JFEAMN
C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4c(C)cccc4C)CC3)co2)CC1	ZINC000034677774	569642093	/nfs/dbraw/zinc/64/20/93/569642093.db2.gz	HXHWXBRAOWLION-HSZRJFAPSA-N	0	1	481.641	2.699	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C21	ZINC000100910817	569775200	/nfs/dbraw/zinc/77/52/00/569775200.db2.gz	AJSNFODMFXEQAY-TXPKVOOTSA-N	0	1	498.413	2.679	50	30		JFEAMN
O=C(c1ccncc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1	ZINC000101072295	569781366	/nfs/dbraw/zinc/78/13/66/569781366.db2.gz	OZQHLRGVFFKULU-NHFXJNLRSA-N	0	1	486.366	2.988	50	30		JFEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1	ZINC000102170175	569810528	/nfs/dbraw/zinc/81/05/28/569810528.db2.gz	PHDAWRSRBHRFOO-ZHHPLPSFSA-N	0	1	465.550	2.870	50	30		JFEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1	ZINC000102170169	569810540	/nfs/dbraw/zinc/81/05/40/569810540.db2.gz	PHDAWRSRBHRFOO-AYWGPLOBSA-N	0	1	465.550	2.870	50	30		JFEAMN
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)o1	ZINC000102930756	569828232	/nfs/dbraw/zinc/82/82/32/569828232.db2.gz	QOARPYGXCAANJH-PGVNHDJNSA-N	0	1	464.522	2.606	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21	ZINC000221544178	569883749	/nfs/dbraw/zinc/88/37/49/569883749.db2.gz	XQLGFDHONDELJD-MDZRGWNJSA-N	0	1	499.306	2.967	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21	ZINC000221544178	569883750	/nfs/dbraw/zinc/88/37/50/569883750.db2.gz	XQLGFDHONDELJD-MDZRGWNJSA-N	0	1	499.306	2.967	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1	ZINC000230112016	570045060	/nfs/dbraw/zinc/04/50/60/570045060.db2.gz	URYNQVQNFWNTCV-HYBUGGRVSA-N	0	1	484.618	2.737	50	30		JFEAMN
C=CCOC[C@H](O)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327450	570065338	/nfs/dbraw/zinc/06/53/38/570065338.db2.gz	JJAXHNJWDJVYCW-FGZHOGPDSA-N	0	1	475.561	2.862	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)N(C)c3ccccc3)C1=O)O2	ZINC000253408732	570097364	/nfs/dbraw/zinc/09/73/64/570097364.db2.gz	LAFAKBLVPQUXAN-LZNHGYHVSA-N	0	1	490.512	2.821	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)Nc3nccs3)C1=O)O2	ZINC000253411053	570097688	/nfs/dbraw/zinc/09/76/88/570097688.db2.gz	OCSDXIPJQNXGTR-VLSFKVKESA-N	0	1	497.529	2.644	50	30	biogenic	JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009046890	124015828	/nfs/dbraw/zinc/01/58/28/124015828.db2.gz	GZIKMDZFGBWQAU-AYWGPLOBSA-N	0	1	484.524	2.987	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000102512090	130166164	/nfs/dbraw/zinc/16/61/64/130166164.db2.gz	AYRWGFJCERKRHN-SELCWUDQSA-N	0	1	475.567	2.769	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000102513212	130166665	/nfs/dbraw/zinc/16/66/65/130166665.db2.gz	COMAMCHQAHVKIU-OBVHCKHUSA-N	0	1	469.538	2.800	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000102540138	130195135	/nfs/dbraw/zinc/19/51/35/130195135.db2.gz	BPTIFTFNBWTFCS-NXLSWJSLSA-N	0	1	496.560	2.856	50	30		JFEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(Br)cc1	ZINC000102561791	130209519	/nfs/dbraw/zinc/20/95/19/130209519.db2.gz	HURLQWGYDHNPOE-UYTDBDHRSA-N	0	1	452.326	2.941	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000102587894	130217652	/nfs/dbraw/zinc/21/76/52/130217652.db2.gz	LCIABYSFVABTPA-HOGKFDNTSA-N	0	1	451.523	2.507	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000102614462	130224425	/nfs/dbraw/zinc/22/44/25/130224425.db2.gz	ULGPPMCBFYATLV-MOBKVPTQSA-N	0	1	471.506	2.620	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000102643749	130229360	/nfs/dbraw/zinc/22/93/60/130229360.db2.gz	BSOZPQSAFRCMFA-ZFGYKHQWSA-N	0	1	451.475	2.865	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102652942	130232836	/nfs/dbraw/zinc/23/28/36/130232836.db2.gz	QCDIWFKITDXXJT-IUOUCKIRSA-N	0	1	464.518	2.780	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000102716950	130263129	/nfs/dbraw/zinc/26/31/29/130263129.db2.gz	HJDDOYGITFCKHF-AYWGPLOBSA-N	0	1	482.508	2.741	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102717798	130264135	/nfs/dbraw/zinc/26/41/35/130264135.db2.gz	KRMQDFQMHFXXGS-JBCNATCCSA-N	0	1	490.553	2.924	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN2CCOCC2)c1	ZINC000102860307	130331092	/nfs/dbraw/zinc/33/10/92/130331092.db2.gz	UMIAMSDBLWWINZ-ZZIWUOEGSA-N	0	1	490.560	2.795	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102863623	130335278	/nfs/dbraw/zinc/33/52/78/130335278.db2.gz	USBZSJABXZNCOF-HFEWCJDKSA-N	0	1	499.564	2.809	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1	ZINC000036310039	518297960	/nfs/dbraw/zinc/29/79/60/518297960.db2.gz	URYNQVQNFWNTCV-RDPSFJRHSA-N	0	1	484.618	2.737	50	30		JFEAMN
C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1	ZINC000036309310	518307540	/nfs/dbraw/zinc/30/75/40/518307540.db2.gz	VUTGIDXRDBPHMC-YKSBVNFPSA-N	0	1	486.634	2.984	50	30		JFEAMN
CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000033333436	518468085	/nfs/dbraw/zinc/46/80/85/518468085.db2.gz	SGNDWQCCNURSKJ-DHRITJCHSA-N	0	1	481.900	2.880	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCN1CCOCC1	ZINC000020444027	518877365	/nfs/dbraw/zinc/87/73/65/518877365.db2.gz	LMZYLBRLNPSKAL-MHZLTWQESA-N	0	1	491.544	2.575	50	30		JFEAMN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCN1CCOCC1	ZINC000020444020	518879025	/nfs/dbraw/zinc/87/90/25/518879025.db2.gz	LMZYLBRLNPSKAL-HHHXNRCGSA-N	0	1	491.544	2.575	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(O)cc2)cc1	ZINC000009375347	520790037	/nfs/dbraw/zinc/79/00/37/520790037.db2.gz	KFMLKZPCSPCPLX-NRFANRHFSA-N	0	1	488.562	2.647	50	30		JFEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1	ZINC000000728065	521973510	/nfs/dbraw/zinc/97/35/10/521973510.db2.gz	XNSGNCPQOKPOER-OAQYLSRUSA-N	0	1	478.530	2.505	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013735149	522163705	/nfs/dbraw/zinc/16/37/05/522163705.db2.gz	YQBYEAYHQSKTSR-HXUWFJFHSA-N	0	1	456.470	2.761	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)c1C	ZINC000004039463	524021400	/nfs/dbraw/zinc/02/14/00/524021400.db2.gz	BISPJIANTFGQEH-FQEVSTJZSA-N	0	1	455.511	2.567	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000009177781	524911117	/nfs/dbraw/zinc/91/11/17/524911117.db2.gz	WDHNLURGNAVWRS-DEOSSOPVSA-N	0	1	496.560	2.931	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000009043981	525217951	/nfs/dbraw/zinc/21/79/51/525217951.db2.gz	JVQKNRISYORPTJ-JOCHJYFZSA-N	0	1	464.522	2.800	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000008836957	525387476	/nfs/dbraw/zinc/38/74/76/525387476.db2.gz	CXBMAVVHRCHNKR-QHCPKHFHSA-N	0	1	466.534	2.923	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000016741339	526267803	/nfs/dbraw/zinc/26/78/03/526267803.db2.gz	GUZNHLIWXWPRGM-QFIPXVFZSA-N	0	1	468.481	2.507	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1	ZINC000009159898	527176025	/nfs/dbraw/zinc/17/60/25/527176025.db2.gz	FTGHGMHZKLUYHG-QHCPKHFHSA-N	0	1	460.534	2.943	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102864325	536563148	/nfs/dbraw/zinc/56/31/48/536563148.db2.gz	IHDIVMNGEHOEAZ-HOGKFDNTSA-N	0	1	454.498	2.978	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2OC)c(C)c1	ZINC000102864685	536566936	/nfs/dbraw/zinc/56/69/36/536566936.db2.gz	OBECWOKJAPWJLJ-AYWGPLOBSA-N	0	1	466.534	2.766	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000008779488	554676736	/nfs/dbraw/zinc/67/67/36/554676736.db2.gz	ZBBBIEXAUJVBIU-QHCPKHFHSA-N	0	1	496.560	2.931	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000008779487	554676809	/nfs/dbraw/zinc/67/68/09/554676809.db2.gz	ZBBBIEXAUJVBIU-HSZRJFAPSA-N	0	1	496.560	2.931	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c1C	ZINC000008817310	554700138	/nfs/dbraw/zinc/70/01/38/554700138.db2.gz	FNFXKKIDIVPNON-JOCHJYFZSA-N	0	1	481.549	2.719	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000008834747	554732870	/nfs/dbraw/zinc/73/28/70/554732870.db2.gz	YEOWYFDRBROCBW-QHCPKHFHSA-N	0	1	466.534	2.923	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000008858459	554755511	/nfs/dbraw/zinc/75/55/11/554755511.db2.gz	WQVYBOSAXGITHA-QFIPXVFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000008904021	554798214	/nfs/dbraw/zinc/79/82/14/554798214.db2.gz	FOHRWMABDPFMRN-HXUWFJFHSA-N	0	1	455.511	2.567	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000008904358	554798540	/nfs/dbraw/zinc/79/85/40/554798540.db2.gz	HATWPXDSYJIXIK-HOGKFDNTSA-N	0	1	454.498	2.978	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000008919382	554815950	/nfs/dbraw/zinc/81/59/50/554815950.db2.gz	RGYCZRFVJZFIGD-QHCPKHFHSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000013451246	555400928	/nfs/dbraw/zinc/40/09/28/555400928.db2.gz	BOJVRHWOONVCCZ-XMMPIXPASA-N	0	1	496.560	2.931	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000019938418	555556241	/nfs/dbraw/zinc/55/62/41/555556241.db2.gz	GLXSUFMNSNGURS-QFIPXVFZSA-N	0	1	468.506	2.615	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013730163	555603041	/nfs/dbraw/zinc/60/30/41/555603041.db2.gz	PPKHCGDDNLXMFG-NRFANRHFSA-N	0	1	458.486	2.991	50	30		JFEAMN
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000020175563	555681545	/nfs/dbraw/zinc/68/15/45/555681545.db2.gz	IAWPXPJCELJACP-OWOPXTPDSA-N	0	1	488.493	2.875	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000020188609	555690535	/nfs/dbraw/zinc/69/05/35/555690535.db2.gz	NLAINTNZPYJCEK-JOCHJYFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020193158	555694286	/nfs/dbraw/zinc/69/42/86/555694286.db2.gz	FCPDCENFXMJOIT-XMMPIXPASA-N	0	1	492.528	2.891	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c(O)c1	ZINC000020309381	555765942	/nfs/dbraw/zinc/76/59/42/555765942.db2.gz	OXKGRHRIPMKYIS-QFIPXVFZSA-N	0	1	497.504	2.610	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(O)c1	ZINC000020309386	555766168	/nfs/dbraw/zinc/76/61/68/555766168.db2.gz	HFYRFZAUEAGKJE-QFIPXVFZSA-N	0	1	497.504	2.610	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)c(O)c1	ZINC000020309399	555766506	/nfs/dbraw/zinc/76/65/06/555766506.db2.gz	SXDRMXVQXRMAEG-JOCHJYFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)c(O)c1	ZINC000020309429	555766511	/nfs/dbraw/zinc/76/65/11/555766511.db2.gz	PEHHXPGCUAKYJG-HXUWFJFHSA-N	0	1	458.536	2.763	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c(O)c1	ZINC000020309477	555766532	/nfs/dbraw/zinc/76/65/32/555766532.db2.gz	CVHPZAUMQMEEEN-QFIPXVFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2OC)c(O)c1	ZINC000020309419	555766583	/nfs/dbraw/zinc/76/65/83/555766583.db2.gz	IQIVEJOUKWPMBC-HSZRJFAPSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(O)c1	ZINC000020309529	555766819	/nfs/dbraw/zinc/76/68/19/555766819.db2.gz	GQOBPQSVUPMOSO-NRFANRHFSA-N	0	1	472.925	2.965	50	30		JFEAMN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193195	556126315	/nfs/dbraw/zinc/12/63/15/556126315.db2.gz	FWNRLNJWCCOKJC-CHAGWJKLSA-N	0	1	475.545	2.671	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193225	556126684	/nfs/dbraw/zinc/12/66/84/556126684.db2.gz	HAPCKRBBHIJKSW-HPGBDJQBSA-N	0	1	487.556	2.837	50	30		JFEAMN
COc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1	ZINC000025194543	556205070	/nfs/dbraw/zinc/20/50/70/556205070.db2.gz	YRNDZBJRMBHXSJ-UHFFFAOYSA-N	0	1	450.586	2.526	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(N[C@@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000017167271	556230361	/nfs/dbraw/zinc/23/03/61/556230361.db2.gz	SCJDKZKCFMQTQE-IFXCNKOCSA-N	0	1	461.587	2.941	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000017194602	556237586	/nfs/dbraw/zinc/23/75/86/556237586.db2.gz	LCAGOOOXYJFEAV-HSZRJFAPSA-N	0	1	482.533	2.628	50	30		JFEAMN
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000054992266	569590439	/nfs/dbraw/zinc/59/04/39/569590439.db2.gz	HLDSFYHUBHTPNC-BAXPTACRSA-N	0	1	488.493	2.875	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000102865267	569825535	/nfs/dbraw/zinc/82/55/35/569825535.db2.gz	PSARUJBWYHGEEL-QOJBNDRUSA-N	0	1	457.502	2.931	50	30		JFEAMN
NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102872107	569825957	/nfs/dbraw/zinc/82/59/57/569825957.db2.gz	ZDAJIHNLFSXDQP-LCPUNJGISA-N	0	1	479.470	2.869	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102933245	569829076	/nfs/dbraw/zinc/82/90/76/569829076.db2.gz	ZBSQKVQJHVZHKM-IAMBOQNYSA-N	0	1	478.549	2.952	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(N[C@@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000103689735	569837148	/nfs/dbraw/zinc/83/71/48/569837148.db2.gz	SCJDKZKCFMQTQE-IYCJUYGXSA-N	0	1	461.587	2.941	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000104233024	569843679	/nfs/dbraw/zinc/84/36/79/569843679.db2.gz	JEZPRTNRXGRIOT-AYWGPLOBSA-N	0	1	466.534	2.766	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H](O)c3cccc(O)c3)C1=O)O2	ZINC000253411920	570097816	/nfs/dbraw/zinc/09/78/16/570097816.db2.gz	PHHNXDFRROEQDY-GWLSYYLCSA-N	0	1	479.485	2.597	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](CO)Cc3ccccc3)C1=O)O2	ZINC000263585194	570170930	/nfs/dbraw/zinc/17/09/30/570170930.db2.gz	GEKCRLTZFIHPJB-GULRIGBJSA-N	0	1	477.513	2.762	50	30	biogenic	JFEAMN
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](c2cccs2)c2ccccc2)CC1	ZINC000012906130	195179855	/nfs/dbraw/zinc/17/98/55/195179855.db2.gz	QIARUXOBOVCCER-DEOSSOPVSA-N	0	1	480.615	2.832	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1	ZINC000102509089	130163090	/nfs/dbraw/zinc/16/30/90/130163090.db2.gz	GNRRQYQSIUOSFO-MOBKVPTQSA-N	0	1	451.523	2.624	50	30		JFEAMN
COc1ccccc1[C@@H]1C(C(=O)c2c(C)nc3ccccn32)C(=O)C(=O)N1CCCN1CCOCC1	ZINC000102532041	130185799	/nfs/dbraw/zinc/18/57/99/130185799.db2.gz	DZAJVTZIOGQTPO-ZZIWUOEGSA-N	0	1	490.560	2.795	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102542889	130199019	/nfs/dbraw/zinc/19/90/19/130199019.db2.gz	NOPCOYRBZCLAEH-ZHHPLPSFSA-N	0	1	466.534	2.766	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(Br)c1	ZINC000102564252	130212079	/nfs/dbraw/zinc/21/20/79/130212079.db2.gz	PBZPRZZJFDQHAV-SELCWUDQSA-N	0	1	491.294	2.788	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102648036	130230418	/nfs/dbraw/zinc/23/04/18/130230418.db2.gz	AVLILEZRXWCJFP-GOBYDPEUSA-N	0	1	478.545	2.773	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102693198	130240337	/nfs/dbraw/zinc/24/03/37/130240337.db2.gz	CMIJIHGLRKAHRK-ZHHPLPSFSA-N	0	1	466.534	2.848	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000102700002	130246090	/nfs/dbraw/zinc/24/60/90/130246090.db2.gz	AIOCNYOQJVVAJT-DPGTYXLWSA-N	0	1	489.933	2.735	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000102726180	130270842	/nfs/dbraw/zinc/27/08/42/130270842.db2.gz	QINACBHOUUTIJX-ZHHPLPSFSA-N	0	1	496.560	2.856	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000102726178	130270847	/nfs/dbraw/zinc/27/08/47/130270847.db2.gz	QINACBHOUUTIJX-AYWGPLOBSA-N	0	1	496.560	2.856	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102741243	130285201	/nfs/dbraw/zinc/28/52/01/130285201.db2.gz	JQOVCKXQUMWJBE-NHFXJNLRSA-N	0	1	456.470	2.604	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102740860	130285279	/nfs/dbraw/zinc/28/52/79/130285279.db2.gz	RGRCHGSHZCHSHS-NHFXJNLRSA-N	0	1	456.470	2.604	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(OC)c1OC	ZINC000102751681	130290216	/nfs/dbraw/zinc/29/02/16/130290216.db2.gz	UVUZHOKRCRXUCJ-NHFXJNLRSA-N	0	1	458.486	2.835	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102863624	130335127	/nfs/dbraw/zinc/33/51/27/130335127.db2.gz	USBZSJABXZNCOF-IAMBOQNYSA-N	0	1	499.564	2.809	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102863698	130335260	/nfs/dbraw/zinc/33/52/60/130335260.db2.gz	GAAMFUFXICQFGQ-PGVNHDJNSA-N	0	1	476.533	2.721	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1	ZINC000102868181	130341409	/nfs/dbraw/zinc/34/14/09/130341409.db2.gz	PNGVROHNFBIGLA-MOBKVPTQSA-N	0	1	484.936	2.865	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000102881000	130357509	/nfs/dbraw/zinc/35/75/09/130357509.db2.gz	KQDQDXRVGYGMCI-GOBYDPEUSA-N	0	1	478.545	2.860	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccccc2)cc1	ZINC000102892560	130374801	/nfs/dbraw/zinc/37/48/01/130374801.db2.gz	XHQZUTNHSWRWTD-JBCNATCCSA-N	0	1	472.563	2.785	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309038	518298074	/nfs/dbraw/zinc/29/80/74/518298074.db2.gz	BXZMNULLCJETOR-URXFXBBRSA-N	0	1	486.634	2.602	50	30		JFEAMN
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCN1CCOCC1	ZINC000009373706	519865485	/nfs/dbraw/zinc/86/54/85/519865485.db2.gz	KXKVHSIZFSBOBE-FSLHIAPTSA-N	0	1	493.560	2.643	50	30		JFEAMN
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000020561118	520210893	/nfs/dbraw/zinc/21/08/93/520210893.db2.gz	HLDSFYHUBHTPNC-JVMOKEISSA-N	0	1	488.493	2.875	50	30		JFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@@H]2c2cccc(F)c2)c1	ZINC000011913846	521319364	/nfs/dbraw/zinc/31/93/64/521319364.db2.gz	CBMKLKHTQFJCSR-FXAWDEMLSA-N	0	1	459.495	2.990	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000016730910	523556804	/nfs/dbraw/zinc/55/68/04/523556804.db2.gz	DAYUULMYUUUQKQ-FQEVSTJZSA-N	0	1	455.467	2.752	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000009353666	523558636	/nfs/dbraw/zinc/55/86/36/523558636.db2.gz	OERONQBKJDQADZ-QHCPKHFHSA-N	0	1	482.533	2.628	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2OC)c(C)c1	ZINC000009019343	523559258	/nfs/dbraw/zinc/55/92/58/523559258.db2.gz	XLPKWTDGTOFJAV-QHCPKHFHSA-N	0	1	466.534	2.923	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000009124635	523792918	/nfs/dbraw/zinc/79/29/18/523792918.db2.gz	HVHYQOLKYHVEEU-FQEVSTJZSA-N	0	1	457.479	2.946	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000009124634	523793603	/nfs/dbraw/zinc/79/36/03/523793603.db2.gz	HVHYQOLKYHVEEU-HXUWFJFHSA-N	0	1	457.479	2.946	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OC)c(OC)c1	ZINC000016737476	523794426	/nfs/dbraw/zinc/79/44/26/523794426.db2.gz	XSNRFHANOATECN-OAQYLSRUSA-N	0	1	455.463	2.700	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)c1C	ZINC000004039464	524021640	/nfs/dbraw/zinc/02/16/40/524021640.db2.gz	BISPJIANTFGQEH-HXUWFJFHSA-N	0	1	455.511	2.567	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1	ZINC000015837198	526267812	/nfs/dbraw/zinc/26/78/12/526267812.db2.gz	RYMPVNVJXYTEPA-NRFANRHFSA-N	0	1	470.909	2.979	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(Br)cc1	ZINC000009464987	526268103	/nfs/dbraw/zinc/26/81/03/526268103.db2.gz	MGLYUBYERVOERT-SFHVURJKSA-N	0	1	491.294	2.945	50	30		JFEAMN
Cn1c2nc(NN=Cc3ccncc3)n(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O	ZINC000009425257	527121437	/nfs/dbraw/zinc/12/14/37/527121437.db2.gz	WJYLYXGEPIXKGN-YSURURNPSA-N	0	1	458.309	2.630	50	30		JFEAMN
Cn1c2nc(NN=Cc3cccnc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O	ZINC000009454753	527121723	/nfs/dbraw/zinc/12/17/23/527121723.db2.gz	KUZUEOQXCRPCHT-YSURURNPSA-N	0	1	458.309	2.630	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1	ZINC000004039964	527176743	/nfs/dbraw/zinc/17/67/43/527176743.db2.gz	RRLAWLBBYGIQQY-FQEVSTJZSA-N	0	1	452.536	2.615	50	30		JFEAMN
NS(=O)(=O)c1ccc(NN=Cc2cc(Br)cc(I)c2O)cc1	ZINC000009763592	527315491	/nfs/dbraw/zinc/31/54/91/527315491.db2.gz	IDCRFFYBMNBNJT-REZTVBANSA-N	0	1	496.124	2.853	50	30		JFEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccccc2)cc1	ZINC000102436490	536103420	/nfs/dbraw/zinc/10/34/20/536103420.db2.gz	KRJFEQANKSQSTH-ZHHPLPSFSA-N	0	1	497.617	2.845	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000102887945	536539986	/nfs/dbraw/zinc/53/99/86/536539986.db2.gz	NCGQEEQNNXGZDR-HOGKFDNTSA-N	0	1	452.507	2.982	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1F	ZINC000102748103	536565773	/nfs/dbraw/zinc/56/57/73/536565773.db2.gz	ZMIKCIMRRAKMLZ-NHFXJNLRSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1C	ZINC000102541886	536567349	/nfs/dbraw/zinc/56/73/49/536567349.db2.gz	WODCGEPDVKXTMR-AYWGPLOBSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000102502364	536567482	/nfs/dbraw/zinc/56/74/82/536567482.db2.gz	BITBEIZVZHNXCR-SBXHHDGASA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000102882729	536567595	/nfs/dbraw/zinc/56/75/95/536567595.db2.gz	GGPIEZAUIZWJPT-ZHHPLPSFSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000102502356	536567796	/nfs/dbraw/zinc/56/77/96/536567796.db2.gz	BITBEIZVZHNXCR-NXLSWJSLSA-N	0	1	496.560	2.775	50	30		JFEAMN
C#CCOc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC	ZINC000008443189	554592896	/nfs/dbraw/zinc/59/28/96/554592896.db2.gz	VYTJYWVOJIKKIZ-WJDWOHSUSA-N	0	1	474.254	2.773	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000008739988	554641773	/nfs/dbraw/zinc/64/17/73/554641773.db2.gz	YGDBMQPRGFWUOM-QFIPXVFZSA-N	0	1	466.534	2.923	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000008740589	554642668	/nfs/dbraw/zinc/64/26/68/554642668.db2.gz	GNQAQIOBYWFNNG-QFIPXVFZSA-N	0	1	451.523	2.779	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000008740737	554642907	/nfs/dbraw/zinc/64/29/07/554642907.db2.gz	KCQVCQUDAVLPPT-JBCNATCCSA-N	0	1	470.522	2.704	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)CC1	ZINC000008836098	554735943	/nfs/dbraw/zinc/73/59/43/554735943.db2.gz	JYAABZUDGHBIPX-LJQANCHMSA-N	0	1	458.522	2.832	50	30		JFEAMN
Clc1cccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1	ZINC000008872042	554768112	/nfs/dbraw/zinc/76/81/12/554768112.db2.gz	BQZDAJIRHGUYPO-BUVRLJJBSA-N	0	1	469.933	2.904	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1	ZINC000008914999	554808166	/nfs/dbraw/zinc/80/81/66/554808166.db2.gz	SIIUTIWHABYEKQ-AYWGPLOBSA-N	0	1	464.518	2.602	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008981302	554847076	/nfs/dbraw/zinc/84/70/76/554847076.db2.gz	YYFQTCCHMUHTDM-OAQYLSRUSA-N	0	1	497.548	2.735	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009007524	554860665	/nfs/dbraw/zinc/86/06/65/554860665.db2.gz	KJGQPMKHLMEBLU-OAQYLSRUSA-N	0	1	467.478	2.514	50	30		JFEAMN
N#Cc1cccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)c1	ZINC000009335496	555102932	/nfs/dbraw/zinc/10/29/32/555102932.db2.gz	RHBZMSRIIMLTSG-UHFFFAOYSA-N	0	1	496.457	2.768	50	30		JFEAMN
CCN1CCN(c2c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1	ZINC000009461797	555230269	/nfs/dbraw/zinc/23/02/69/555230269.db2.gz	GUGWDOUQKXZNPV-WQRHYEAKSA-N	0	1	459.641	2.565	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000020024843	555602888	/nfs/dbraw/zinc/60/28/88/555602888.db2.gz	VPJFXLLARWIUHX-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000013732403	555604390	/nfs/dbraw/zinc/60/43/90/555604390.db2.gz	ZQYDFRKTESAUFX-OAQYLSRUSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000020064633	555624894	/nfs/dbraw/zinc/62/48/94/555624894.db2.gz	XMTKUFZLNPVYKI-HSZRJFAPSA-N	0	1	465.550	2.672	50	30		JFEAMN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013810508	555625907	/nfs/dbraw/zinc/62/59/07/555625907.db2.gz	YAJKFUQIRUCPII-FQEVSTJZSA-N	0	1	455.442	2.644	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000020188603	555690521	/nfs/dbraw/zinc/69/05/21/555690521.db2.gz	NLAINTNZPYJCEK-QFIPXVFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000020231467	555721298	/nfs/dbraw/zinc/72/12/98/555721298.db2.gz	UWTLPVYTUJMDOU-JOCHJYFZSA-N	0	1	468.506	2.615	50	30		JFEAMN
C=CCN1C(=O)[N-]C(=O)[C@](C[NH2+]CCc2ccc(OC)c(OC)c2)(Cc2ccc3c(c2)OCO3)C1=O	ZINC000020289680	555760834	/nfs/dbraw/zinc/76/08/34/555760834.db2.gz	WOFSVRXIOQBNGX-AREMUKBSSA-N	0	1	495.532	2.898	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(O)c1	ZINC000020309378	555766039	/nfs/dbraw/zinc/76/60/39/555766039.db2.gz	OXKGRHRIPMKYIS-JOCHJYFZSA-N	0	1	497.504	2.610	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(O)c1	ZINC000020309383	555766111	/nfs/dbraw/zinc/76/61/11/555766111.db2.gz	HFYRFZAUEAGKJE-JOCHJYFZSA-N	0	1	497.504	2.610	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c(O)c1	ZINC000020309561	555767099	/nfs/dbraw/zinc/76/70/99/555767099.db2.gz	PIGKYOIAXPSUCY-NRFANRHFSA-N	0	1	472.925	2.965	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c(O)c1	ZINC000020310106	555768091	/nfs/dbraw/zinc/76/80/91/555768091.db2.gz	GJGUNXGACMIOCF-JOCHJYFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1	ZINC000012913217	556132078	/nfs/dbraw/zinc/13/20/78/556132078.db2.gz	KKGPXOKLANOPNI-KRWDZBQOSA-N	0	1	456.568	2.679	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000017112694	556217568	/nfs/dbraw/zinc/21/75/68/556217568.db2.gz	KFMLKZPCSPCPLX-OAQYLSRUSA-N	0	1	488.562	2.647	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Cl)c1	ZINC000017163311	556230065	/nfs/dbraw/zinc/23/00/65/556230065.db2.gz	HQGPQIWZLRUBGT-IBGZPJMESA-N	0	1	478.954	2.815	50	30		JFEAMN
Cn1c2nc(NN=Cc3ccccc3O)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000025783550	556235320	/nfs/dbraw/zinc/23/53/20/556235320.db2.gz	UDNNGTOZUQEYND-VULFUBBASA-N	0	1	454.490	2.787	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)c(C)c1	ZINC000017197139	556238972	/nfs/dbraw/zinc/23/89/72/556238972.db2.gz	BNWRWZRKHBCPEB-JOCHJYFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
COc1ccccc1[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCC1	ZINC000013127450	556343549	/nfs/dbraw/zinc/34/35/49/556343549.db2.gz	GFELKNFYQOWMOU-XMMPIXPASA-N	0	1	496.633	2.921	50	30		JFEAMN
NC(N)=NS(=O)(=O)c1ccc(N=Cc2cc(Br)cc(Br)c2O)cc1	ZINC000019798407	556375920	/nfs/dbraw/zinc/37/59/20/556375920.db2.gz	ACDOWVVVIMVICL-FBCYGCLPSA-N	0	1	476.150	2.630	50	30		JFEAMN
COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1OCC#N	ZINC000006144324	562936937	/nfs/dbraw/zinc/93/69/37/562936937.db2.gz	IZNYGZMYBJFRMN-ONNFQVAWSA-N	0	1	465.491	2.840	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008438656	569589720	/nfs/dbraw/zinc/58/97/20/569589720.db2.gz	KBAFKLFBVHGSTP-NRFANRHFSA-N	0	1	472.925	2.965	50	30		JFEAMN
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000054992268	569590488	/nfs/dbraw/zinc/59/04/88/569590488.db2.gz	HLDSFYHUBHTPNC-JPJOULJCSA-N	0	1	488.493	2.875	50	30		JFEAMN
Cc1[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1Cc1ccccc1	ZINC000008719900	569597730	/nfs/dbraw/zinc/59/77/30/569597730.db2.gz	STORWYULWGJRFW-UHFFFAOYSA-N	0	1	495.630	2.806	50	30		JFEAMN
C#CCN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)C1=O	ZINC000095478469	569724480	/nfs/dbraw/zinc/72/44/80/569724480.db2.gz	VGVBMFXHMJZUDR-JOCHJYFZSA-N	0	1	458.869	2.758	50	30		JFEAMN
C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036313408	569760766	/nfs/dbraw/zinc/76/07/66/569760766.db2.gz	XJHKJEXWAYXENS-UXHICEINSA-N	0	1	475.561	2.862	50	30		JFEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000100607205	569765563	/nfs/dbraw/zinc/76/55/63/569765563.db2.gz	CXABBZNOMGYCPW-HFEWCJDKSA-N	0	1	481.549	2.966	50	30		JFEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000100607205	569765564	/nfs/dbraw/zinc/76/55/64/569765564.db2.gz	CXABBZNOMGYCPW-HFEWCJDKSA-N	0	1	481.549	2.966	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C21	ZINC000100910821	569775208	/nfs/dbraw/zinc/77/52/08/569775208.db2.gz	AJSNFODMFXEQAY-FRQCXROJSA-N	0	1	498.413	2.679	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102864853	569825551	/nfs/dbraw/zinc/82/55/51/569825551.db2.gz	JWBNIYKVTZPYHQ-HOGKFDNTSA-N	0	1	481.505	2.666	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000102865265	569825553	/nfs/dbraw/zinc/82/55/53/569825553.db2.gz	PSARUJBWYHGEEL-ASBZNUFUSA-N	0	1	457.502	2.931	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000102928906	569827370	/nfs/dbraw/zinc/82/73/70/569827370.db2.gz	NXEQTSPBFCQYLD-HOGKFDNTSA-N	0	1	454.498	2.897	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)c1C	ZINC000102928749	569827417	/nfs/dbraw/zinc/82/74/17/569827417.db2.gz	BVEPTLBPXQSQBY-QOJBNDRUSA-N	0	1	457.502	2.931	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2)cc1	ZINC000102931511	569828371	/nfs/dbraw/zinc/82/83/71/569828371.db2.gz	ZENVHSCHFVEFNO-AYWGPLOBSA-N	0	1	466.534	2.848	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000104243889	569844077	/nfs/dbraw/zinc/84/40/77/569844077.db2.gz	UXWVDTSMEKILPX-ZHHPLPSFSA-N	0	1	484.524	2.987	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)Nc3nc(C)cs3)C1=O)O2	ZINC000253398622	570096266	/nfs/dbraw/zinc/09/62/66/570096266.db2.gz	CFIQLLRXPOBWLO-VLSFKVKESA-N	0	1	497.529	2.562	50	30	biogenic	JFEAMN
CCOC(=O)N1CCC(NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)CC1	ZINC000263586154	570171589	/nfs/dbraw/zinc/17/15/89/570171589.db2.gz	QRMOUERKGFSTCU-FPNTXNJKSA-N	0	1	498.532	2.779	50	30	biogenic	JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102483164	130136430	/nfs/dbraw/zinc/13/64/30/130136430.db2.gz	JWIAIMNOLBKQRX-QOJBNDRUSA-N	0	1	463.494	2.843	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102483164	130136433	/nfs/dbraw/zinc/13/64/33/130136433.db2.gz	JWIAIMNOLBKQRX-QOJBNDRUSA-N	0	1	463.494	2.843	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102483990	130137992	/nfs/dbraw/zinc/13/79/92/130137992.db2.gz	DLJWMTGFCLXRMN-MRJHHRETSA-N	0	1	451.479	2.657	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102492597	130147175	/nfs/dbraw/zinc/14/71/75/130147175.db2.gz	AYTYYRXAHKAIDM-NXLSWJSLSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000102512082	130165952	/nfs/dbraw/zinc/16/59/52/130165952.db2.gz	AYRWGFJCERKRHN-GHNGSUTGSA-N	0	1	475.567	2.769	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000102513203	130166729	/nfs/dbraw/zinc/16/67/29/130166729.db2.gz	COMAMCHQAHVKIU-PGVNHDJNSA-N	0	1	469.538	2.800	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccco2)[C@@H]1c1ccc(I)cc1	ZINC000102523405	130175509	/nfs/dbraw/zinc/17/55/09/130175509.db2.gz	UZRPXFAGHVQERQ-IDTYTIONSA-N	0	1	453.232	2.952	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102541140	130196966	/nfs/dbraw/zinc/19/69/66/130196966.db2.gz	AWWBPJQEQFUSOF-PGVNHDJNSA-N	0	1	464.522	2.643	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCN(C)C)c1OC	ZINC000102541140	130196969	/nfs/dbraw/zinc/19/69/69/130196969.db2.gz	AWWBPJQEQFUSOF-PGVNHDJNSA-N	0	1	464.522	2.643	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102700274	130246361	/nfs/dbraw/zinc/24/63/61/130246361.db2.gz	LVIPXULZHCFADK-MOBKVPTQSA-N	0	1	454.498	2.978	50	30		JFEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102734837	130278641	/nfs/dbraw/zinc/27/86/41/130278641.db2.gz	GUNOCRJDOAKPOX-NXLSWJSLSA-N	0	1	478.545	2.910	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000102741300	130285225	/nfs/dbraw/zinc/28/52/25/130285225.db2.gz	KHXMVABTPYCJFA-MRJHHRETSA-N	0	1	458.461	2.727	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(F)c1	ZINC000102883411	130363983	/nfs/dbraw/zinc/36/39/83/130363983.db2.gz	JFLRKWGCMGBSFO-COUQNMRISA-N	0	1	478.524	2.926	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Br)cc1	ZINC000102886661	130367782	/nfs/dbraw/zinc/36/77/82/130367782.db2.gz	LGDXNJMLRPXVPL-SELCWUDQSA-N	0	1	491.294	2.788	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000102896658	130378759	/nfs/dbraw/zinc/37/87/59/130378759.db2.gz	BLEIGYOAZXJFAC-SBXHHDGASA-N	0	1	496.560	2.944	50	30		JFEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(Br)c1	ZINC000102897242	130379316	/nfs/dbraw/zinc/37/93/16/130379316.db2.gz	UKZFIWVCJLKRPK-IBOXJLQUSA-N	0	1	452.326	2.941	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1	ZINC000036309309	518296410	/nfs/dbraw/zinc/29/64/10/518296410.db2.gz	VUTGIDXRDBPHMC-RDPSFJRHSA-N	0	1	486.634	2.984	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009328503	519010210	/nfs/dbraw/zinc/01/02/10/519010210.db2.gz	VKHPVIYZKUKAFW-NXLSWJSLSA-N	0	1	494.544	2.720	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009243165	519010545	/nfs/dbraw/zinc/01/05/45/519010545.db2.gz	MLNBCGJCLBYMRD-MOBKVPTQSA-N	0	1	452.507	2.949	50	30		JFEAMN
C=CCc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2OC)c(OC)c1	ZINC000002977429	519138246	/nfs/dbraw/zinc/13/82/46/519138246.db2.gz	CFAVQYUWJHZSHT-UHFFFAOYSA-N	0	1	452.463	2.640	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1	ZINC000012382761	519778428	/nfs/dbraw/zinc/77/84/28/519778428.db2.gz	MBUBPUXWDABDFE-QFIPXVFZSA-N	0	1	451.523	2.779	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000009424232	520877810	/nfs/dbraw/zinc/87/78/10/520877810.db2.gz	IHABTLGIBLFPOL-QFIPXVFZSA-N	0	1	471.506	2.690	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000009424181	520879128	/nfs/dbraw/zinc/87/91/28/520879128.db2.gz	OSGCMSVVIYSWNU-QFIPXVFZSA-N	0	1	471.506	2.777	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009177846	521232488	/nfs/dbraw/zinc/23/24/88/521232488.db2.gz	GZIKMDZFGBWQAU-ZHHPLPSFSA-N	0	1	484.524	2.987	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009424441	521238952	/nfs/dbraw/zinc/23/89/52/521238952.db2.gz	XGBLESZSVNAQIY-HXUWFJFHSA-N	0	1	456.451	2.581	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009271469	521360276	/nfs/dbraw/zinc/36/02/76/521360276.db2.gz	XPIMJSXZQPAZBZ-HXUWFJFHSA-N	0	1	484.509	2.856	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)c1C	ZINC000009270997	521360859	/nfs/dbraw/zinc/36/08/59/521360859.db2.gz	AMVFWWPJKKJWGJ-OAQYLSRUSA-N	0	1	469.538	2.957	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O	ZINC000016735135	522917597	/nfs/dbraw/zinc/91/75/97/522917597.db2.gz	XFKCRSJLXCXBQI-KSFYIVLOSA-N	0	1	467.474	2.929	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1OC	ZINC000009123165	523374061	/nfs/dbraw/zinc/37/40/61/523374061.db2.gz	ONFLQJIUMXCQPL-AYWGPLOBSA-N	0	1	466.534	2.766	50	30		JFEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl	ZINC000009445721	523490808	/nfs/dbraw/zinc/49/08/08/523490808.db2.gz	JDKUUNDLUOUGMB-CUNHWDNFSA-N	0	1	481.738	2.783	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009046557	523559163	/nfs/dbraw/zinc/55/91/63/523559163.db2.gz	FCUKIAHXLYFWNU-HSZRJFAPSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000009333792	524107380	/nfs/dbraw/zinc/10/73/80/524107380.db2.gz	YQDZTHKIURPTGP-OAQYLSRUSA-N	0	1	464.522	2.800	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000015837046	524975820	/nfs/dbraw/zinc/97/58/20/524975820.db2.gz	MGDUIWMFACWUAS-BVZFJXPGSA-N	0	1	491.588	2.987	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000016286582	524976645	/nfs/dbraw/zinc/97/66/45/524976645.db2.gz	YOZAHOFVSPISBL-HJPURHCSSA-N	0	1	493.516	2.829	50	30		JFEAMN
C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)C[C@H](C)O1	ZINC000012466963	525073810	/nfs/dbraw/zinc/07/38/10/525073810.db2.gz	QHNOUQJNDDRBIG-SOLBZPMBSA-N	0	1	459.506	2.896	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000009071726	525382044	/nfs/dbraw/zinc/38/20/44/525382044.db2.gz	YHHYUJMSYZXNJV-MOBKVPTQSA-N	0	1	470.497	2.597	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(O)c2)cc1	ZINC000102493101	534968879	/nfs/dbraw/zinc/96/88/79/534968879.db2.gz	OPIUHNSOHJIGEH-AYWGPLOBSA-N	0	1	466.534	2.933	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C)cc1	ZINC000102556740	536540054	/nfs/dbraw/zinc/54/00/54/536540054.db2.gz	HUFXNUPLIXWALD-JBCNATCCSA-N	0	1	472.563	2.704	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1F	ZINC000102748101	536565490	/nfs/dbraw/zinc/56/54/90/536565490.db2.gz	ZMIKCIMRRAKMLZ-YDJIHCHBSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000102877035	536567220	/nfs/dbraw/zinc/56/72/20/536567220.db2.gz	WTXDZPJONNSVEH-NXLSWJSLSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000102539848	536567441	/nfs/dbraw/zinc/56/74/41/536567441.db2.gz	ONVSXWYRLPPIED-HOGKFDNTSA-N	0	1	481.505	2.666	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000102926796	536568035	/nfs/dbraw/zinc/56/80/35/536568035.db2.gz	LMBSHOYXILCNED-SBXHHDGASA-N	0	1	496.560	2.775	50	30		JFEAMN
C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)C[C@H](C)O1	ZINC000006576943	554552101	/nfs/dbraw/zinc/55/21/01/554552101.db2.gz	QHNOUQJNDDRBIG-JZXOWHBKSA-N	0	1	459.506	2.896	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1	ZINC000008817990	554701223	/nfs/dbraw/zinc/70/12/23/554701223.db2.gz	DZXZHYOWMNCENY-JOCHJYFZSA-N	0	1	460.534	2.862	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1	ZINC000008827090	554717171	/nfs/dbraw/zinc/71/71/71/554717171.db2.gz	CHKQKYCCOSEESD-XMMPIXPASA-N	0	1	490.560	2.952	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000008835985	554735484	/nfs/dbraw/zinc/73/54/84/554735484.db2.gz	LDAJJLBPGZNJND-NRFANRHFSA-N	0	1	485.537	2.575	50	30		JFEAMN
COc1ccc(Nc2nc(N=NCc3ccccc3[N+](=O)[O-])nc(N3CCOCC3)n2)cc1	ZINC000008872901	554769688	/nfs/dbraw/zinc/76/96/88/554769688.db2.gz	BKEKMMJIIDHJEB-HYARGMPZSA-N	0	1	450.459	2.815	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1	ZINC000008914313	554807290	/nfs/dbraw/zinc/80/72/90/554807290.db2.gz	SIIUTIWHABYEKQ-ZHHPLPSFSA-N	0	1	464.518	2.602	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000008985232	554848789	/nfs/dbraw/zinc/84/87/89/554848789.db2.gz	LSPAAODKSYWWBT-OAQYLSRUSA-N	0	1	476.533	2.878	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008987959	554850495	/nfs/dbraw/zinc/85/04/95/554850495.db2.gz	APEMUQOQONXZRT-HXUWFJFHSA-N	0	1	484.509	2.856	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000008996920	554858362	/nfs/dbraw/zinc/85/83/62/554858362.db2.gz	UBTDJKJLIFUSAC-HOGKFDNTSA-N	0	1	470.497	2.597	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000013550332	555491268	/nfs/dbraw/zinc/49/12/68/555491268.db2.gz	IWMRNEKEUBONNS-FQEVSTJZSA-N	0	1	453.451	2.506	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)cc1	ZINC000019928274	555543622	/nfs/dbraw/zinc/54/36/22/555543622.db2.gz	ZJHIEBBPHYOHBG-HXUWFJFHSA-N	0	1	491.997	2.730	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)cc1F	ZINC000013690660	555584860	/nfs/dbraw/zinc/58/48/60/555584860.db2.gz	YMOOZISXBDWCJD-FQEVSTJZSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(O)c2)cc1	ZINC000020081943	555630475	/nfs/dbraw/zinc/63/04/75/555630475.db2.gz	DZIAKHDAFJQIPC-JOCHJYFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1	ZINC000020232422	555722764	/nfs/dbraw/zinc/72/27/64/555722764.db2.gz	ZKEMHUDHKICTBT-QHCPKHFHSA-N	0	1	464.518	2.758	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c(O)c1	ZINC000020309475	555766598	/nfs/dbraw/zinc/76/65/98/555766598.db2.gz	CVHPZAUMQMEEEN-JOCHJYFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c(O)c1	ZINC000020309526	555766870	/nfs/dbraw/zinc/76/68/70/555766870.db2.gz	GQOBPQSVUPMOSO-OAQYLSRUSA-N	0	1	472.925	2.965	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3cc(C)c(C)cc3O)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020309847	555767427	/nfs/dbraw/zinc/76/74/27/555767427.db2.gz	CSQCCMOREBKERI-QHCPKHFHSA-N	0	1	466.534	2.928	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccs3)ccc2O1	ZINC000024146863	556123474	/nfs/dbraw/zinc/12/34/74/556123474.db2.gz	YJOJAVSMIGDXDQ-QVKFZJNVSA-N	0	1	454.548	2.982	50	30		JFEAMN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193223	556126676	/nfs/dbraw/zinc/12/66/76/556126676.db2.gz	HAPCKRBBHIJKSW-YMGMXPECSA-N	0	1	487.556	2.837	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@H]2c2ccc(OC)cc2)cc1	ZINC000016741354	556156562	/nfs/dbraw/zinc/15/65/62/556156562.db2.gz	OPWTYRFLSNGPLI-QFIPXVFZSA-N	0	1	453.491	2.847	50	30		JFEAMN
O=S(=O)(N=C1CCCN1)c1cccc(NS(=O)(=O)c2ccccc2Br)c1	ZINC000013040981	556245372	/nfs/dbraw/zinc/24/53/72/556245372.db2.gz	VPQOVTANANMMSK-UHFFFAOYSA-N	0	1	458.359	2.721	50	30		JFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008715767	569596375	/nfs/dbraw/zinc/59/63/75/569596375.db2.gz	LXNQVLQGHZYNAB-QFIPXVFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
C=CCC[C@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036249782	569758141	/nfs/dbraw/zinc/75/81/41/569758141.db2.gz	NUGILHWJYANDSU-QHCPKHFHSA-N	0	1	470.614	2.640	50	30		JFEAMN
COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc4c(c3)OCO4)cc2)nc(OC)n1	ZINC000100374222	569758279	/nfs/dbraw/zinc/75/82/79/569758279.db2.gz	CKQYYYHWWAFTPA-KTKRTIGZSA-N	0	1	484.490	2.832	50	30		JFEAMN
O=C(NCCNC(=O)C(F)(F)F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	ZINC000100915111	569775678	/nfs/dbraw/zinc/77/56/78/569775678.db2.gz	AVWBVEDPZAMCGR-UHFFFAOYSA-N	0	1	456.261	2.977	50	30		JFEAMN
NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102872111	569825967	/nfs/dbraw/zinc/82/59/67/569825967.db2.gz	ZDAJIHNLFSXDQP-GOBJLOIFSA-N	0	1	479.470	2.869	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000102872117	569826033	/nfs/dbraw/zinc/82/60/33/569826033.db2.gz	NXCYKTPWJDNZPU-NXLSWJSLSA-N	0	1	496.560	2.862	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102873966	569826165	/nfs/dbraw/zinc/82/61/65/569826165.db2.gz	OXMSXEMFJCKVEQ-ZHHPLPSFSA-N	0	1	466.534	2.848	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1	ZINC000245327408	570065330	/nfs/dbraw/zinc/06/53/30/570065330.db2.gz	IYXQFIPECBRFKV-NZQKXSOJSA-N	0	1	472.582	2.867	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000248037515	570073186	/nfs/dbraw/zinc/07/31/86/570073186.db2.gz	SWTAJAFUZPRWQC-IFMALSPDSA-N	0	1	456.608	2.894	50	30		JFEAMN
COC(=O)c1ccc(CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)o1	ZINC000253402319	570096680	/nfs/dbraw/zinc/09/66/80/570096680.db2.gz	GGXMFGFDSUPNSU-JHSVMATKSA-N	0	1	481.457	2.738	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H](O)c3cccc(O)c3)C1=O)O2	ZINC000253411921	570097851	/nfs/dbraw/zinc/09/78/51/570097851.db2.gz	PHHNXDFRROEQDY-NGMZNZPNSA-N	0	1	479.485	2.597	50	30	biogenic	JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c1C	ZINC000102540504	130195687	/nfs/dbraw/zinc/19/56/87/130195687.db2.gz	CIOQVMCBWIUWND-COUQNMRISA-N	0	1	495.576	2.952	50	30		JFEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Br)cc1	ZINC000102561801	130209445	/nfs/dbraw/zinc/20/94/45/130209445.db2.gz	HURLQWGYDHNPOE-IBOXJLQUSA-N	0	1	452.326	2.941	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102587898	130217862	/nfs/dbraw/zinc/21/78/62/130217862.db2.gz	LCIABYSFVABTPA-MOBKVPTQSA-N	0	1	451.523	2.507	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1	ZINC000102711453	130257733	/nfs/dbraw/zinc/25/77/33/130257733.db2.gz	RAKUEHJFYGVKHY-MOBKVPTQSA-N	0	1	451.523	2.624	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000102723828	130268951	/nfs/dbraw/zinc/26/89/51/130268951.db2.gz	SWAZWWZPPOGMHM-ZHHPLPSFSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c(OC)c1	ZINC000102736112	130280624	/nfs/dbraw/zinc/28/06/24/130280624.db2.gz	KCLDTBLEYDEIMO-JBCNATCCSA-N	0	1	458.486	2.835	50	30		JFEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c(C)n1	ZINC000102749083	130289089	/nfs/dbraw/zinc/28/90/89/130289089.db2.gz	GWYMJQCHYVAREB-GHNGSUTGSA-N	0	1	459.344	2.839	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000102861978	130332468	/nfs/dbraw/zinc/33/24/68/130332468.db2.gz	DEHJUBIHAXNTLM-AYWGPLOBSA-N	0	1	466.534	2.766	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCNC(C)=O)c(OC)c1	ZINC000102890608	130372110	/nfs/dbraw/zinc/37/21/10/130372110.db2.gz	CMNPLEJQTGOPLE-YDJIHCHBSA-N	0	1	458.898	2.915	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000102895369	130377384	/nfs/dbraw/zinc/37/73/84/130377384.db2.gz	MTWHSPAEJRKCAE-HOGKFDNTSA-N	0	1	471.506	2.533	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036309341	518297563	/nfs/dbraw/zinc/29/75/63/518297563.db2.gz	HJQCCYCREDXKRN-UNMCSNQZSA-N	0	1	486.634	2.984	50	30		JFEAMN
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCN1CCOCC1	ZINC000009329283	519865272	/nfs/dbraw/zinc/86/52/72/519865272.db2.gz	KXKVHSIZFSBOBE-OAWJJLAXSA-N	0	1	493.560	2.643	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000009044144	521233185	/nfs/dbraw/zinc/23/31/85/521233185.db2.gz	FRAALUVFFGNGGW-SBXHHDGASA-N	0	1	496.560	2.856	50	30		JFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@@H]2c2cccc(F)c2)c1	ZINC000011913845	521317488	/nfs/dbraw/zinc/31/74/88/521317488.db2.gz	CBMKLKHTQFJCSR-YLJYHZDGSA-N	0	1	459.495	2.990	50	30		JFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@H]2c2cccc(F)c2)c1	ZINC000011913847	521319323	/nfs/dbraw/zinc/31/93/23/521319323.db2.gz	CBMKLKHTQFJCSR-XLIONFOSSA-N	0	1	459.495	2.990	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009235172	521360674	/nfs/dbraw/zinc/36/06/74/521360674.db2.gz	RFKKYFDYZBTEKG-JOCHJYFZSA-N	0	1	499.564	2.965	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009349791	522164614	/nfs/dbraw/zinc/16/46/14/522164614.db2.gz	JIBHJOMOJZPCPA-OYHNWAKOSA-N	0	1	464.518	2.937	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(OC)c1	ZINC000016956278	523283347	/nfs/dbraw/zinc/28/33/47/523283347.db2.gz	OSVMUYMBSRQQNI-NRFANRHFSA-N	0	1	488.562	2.560	50	30		JFEAMN
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000016346876	523665699	/nfs/dbraw/zinc/66/56/99/523665699.db2.gz	XZSIBNOTUHHFOF-RDBACFOTSA-N	0	1	488.493	2.874	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OC)c1OC	ZINC000016742174	523795783	/nfs/dbraw/zinc/79/57/83/523795783.db2.gz	SSOPPPUJKMOYCX-HXUWFJFHSA-N	0	1	455.463	2.700	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)ccc2OC)c1C	ZINC000004039423	524020737	/nfs/dbraw/zinc/02/07/37/524020737.db2.gz	HBQXMGFHKINTKH-OAQYLSRUSA-N	0	1	485.537	2.575	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)ccc2OC)c1C	ZINC000004039422	524020899	/nfs/dbraw/zinc/02/08/99/524020899.db2.gz	HBQXMGFHKINTKH-NRFANRHFSA-N	0	1	485.537	2.575	50	30		JFEAMN
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1	ZINC000009715753	524647110	/nfs/dbraw/zinc/64/71/10/524647110.db2.gz	YRFFFTBNEMMFOX-QFIPXVFZSA-N	0	1	459.524	2.707	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1	ZINC000009424660	526267764	/nfs/dbraw/zinc/26/77/64/526267764.db2.gz	PZBSODOLSRSILR-SFHVURJKSA-N	0	1	491.294	2.945	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Br)cc1	ZINC000009464985	526268015	/nfs/dbraw/zinc/26/80/15/526268015.db2.gz	MGLYUBYERVOERT-GOSISDBHSA-N	0	1	491.294	2.945	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000102369293	534968808	/nfs/dbraw/zinc/96/88/08/534968808.db2.gz	CRSBYKSUXHUMFA-HOGKFDNTSA-N	0	1	451.523	2.623	50	30		JFEAMN
CCCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000095551164	534989542	/nfs/dbraw/zinc/98/95/42/534989542.db2.gz	UDWUIJMDHYWFKE-UHFFFAOYSA-N	0	1	466.630	2.722	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2OC)c(C)c1	ZINC000102864688	536566909	/nfs/dbraw/zinc/56/69/09/536566909.db2.gz	OBECWOKJAPWJLJ-ZHHPLPSFSA-N	0	1	466.534	2.766	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1F	ZINC000102740709	536567046	/nfs/dbraw/zinc/56/70/46/536567046.db2.gz	PAXBGJTVRIGSFI-MRJHHRETSA-N	0	1	458.461	2.727	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O	ZINC000001132526	553914733	/nfs/dbraw/zinc/91/47/33/553914733.db2.gz	XTMHZMFBMHMXRA-HXUWFJFHSA-N	0	1	471.510	2.772	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O	ZINC000001132534	553914811	/nfs/dbraw/zinc/91/48/11/553914811.db2.gz	XTMHZMFBMHMXRA-FQEVSTJZSA-N	0	1	471.510	2.772	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000006498605	554546679	/nfs/dbraw/zinc/54/66/79/554546679.db2.gz	BHGDTCPANWBITB-HJPURHCSSA-N	0	1	464.518	2.626	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000006498602	554546743	/nfs/dbraw/zinc/54/67/43/554546743.db2.gz	BHGDTCPANWBITB-WAIKUNEKSA-N	0	1	464.518	2.626	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000006498802	554546889	/nfs/dbraw/zinc/54/68/89/554546889.db2.gz	CETJHPDEKHSOBQ-MZNJEOGPSA-N	0	1	478.545	2.929	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000006499012	554546908	/nfs/dbraw/zinc/54/69/08/554546908.db2.gz	SATNSHHAXLYZDM-NRFANRHFSA-N	0	1	467.474	2.859	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000008739575	554641192	/nfs/dbraw/zinc/64/11/92/554641192.db2.gz	GNQAQIOBYWFNNG-JOCHJYFZSA-N	0	1	451.523	2.779	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000008779377	554676835	/nfs/dbraw/zinc/67/68/35/554676835.db2.gz	RHVFJTDPTSBPMY-JOCHJYFZSA-N	0	1	482.533	2.623	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1	ZINC000008816899	554699089	/nfs/dbraw/zinc/69/90/89/554699089.db2.gz	DZXZHYOWMNCENY-QFIPXVFZSA-N	0	1	460.534	2.862	50	30		JFEAMN
COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)c1	ZINC000008919676	554816469	/nfs/dbraw/zinc/81/64/69/554816469.db2.gz	YXYYDQSLAFXVDI-XMMPIXPASA-N	0	1	496.633	2.921	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008982060	554847253	/nfs/dbraw/zinc/84/72/53/554847253.db2.gz	CKIBWBMOKDUHGG-QFIPXVFZSA-N	0	1	464.518	2.692	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000013552278	555492499	/nfs/dbraw/zinc/49/24/99/555492499.db2.gz	ZFDQDAMYFGDQGG-JOCHJYFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
COc1ccccc1[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1	ZINC000009782499	555503280	/nfs/dbraw/zinc/50/32/80/555503280.db2.gz	PBDPWSJHZHKDDQ-HSZRJFAPSA-N	0	1	496.633	2.921	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c(OC)c1	ZINC000013682853	555576301	/nfs/dbraw/zinc/57/63/01/555576301.db2.gz	QCTJWAVMIKVEDY-NRFANRHFSA-N	0	1	458.486	2.991	50	30		JFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000020082568	555630894	/nfs/dbraw/zinc/63/08/94/555630894.db2.gz	ZBYMYSXSRDYFGW-QHCPKHFHSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020136316	555660724	/nfs/dbraw/zinc/66/07/24/555660724.db2.gz	VLQYKHPAFNABAA-JOCHJYFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020190738	555691771	/nfs/dbraw/zinc/69/17/71/555691771.db2.gz	DFVGLWAXRFCSBG-QHCPKHFHSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CCCN2CCOCC2)c1	ZINC000020309465	555766548	/nfs/dbraw/zinc/76/65/48/555766548.db2.gz	BBZGZRVNVFDFNV-HSZRJFAPSA-N	0	1	482.533	2.710	50	30		JFEAMN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCN(C)C	ZINC000024192903	556125677	/nfs/dbraw/zinc/12/56/77/556125677.db2.gz	LYUQAXBKQUETBN-RUZDIDTESA-N	0	1	451.498	2.795	50	30		JFEAMN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCN(C)C	ZINC000024192906	556125799	/nfs/dbraw/zinc/12/57/99/556125799.db2.gz	IJXWEBCOHARXLO-AREMUKBSSA-N	0	1	463.509	2.961	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(OC)c1	ZINC000016956280	556187207	/nfs/dbraw/zinc/18/72/07/556187207.db2.gz	OSVMUYMBSRQQNI-OAQYLSRUSA-N	0	1	488.562	2.560	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000017123943	556220169	/nfs/dbraw/zinc/22/01/69/556220169.db2.gz	ZUKWZNKMDBECEQ-QHCPKHFHSA-N	0	1	496.560	2.931	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000017206180	556240750	/nfs/dbraw/zinc/24/07/50/556240750.db2.gz	DEPTUNLSEBQQMY-FQEVSTJZSA-N	0	1	476.526	2.691	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000018178337	556298752	/nfs/dbraw/zinc/29/87/52/556298752.db2.gz	YOZAHOFVSPISBL-WAIKUNEKSA-N	0	1	493.516	2.829	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1	ZINC000008667103	562949064	/nfs/dbraw/zinc/94/90/64/562949064.db2.gz	COIOSSMKSSHSIV-HXUWFJFHSA-N	0	1	466.563	2.923	50	30		JFEAMN
Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4cccc(C#N)c4)c(Cl)cc32)no1	ZINC000065022431	569648944	/nfs/dbraw/zinc/64/89/44/569648944.db2.gz	XPFNPCANAYKYLA-UHFFFAOYSA-N	0	1	459.871	2.630	50	30		JFEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Br)cc1	ZINC000102868889	569825820	/nfs/dbraw/zinc/82/58/20/569825820.db2.gz	OLHZGLYTHKUTMQ-SELCWUDQSA-N	0	1	491.294	2.788	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1	ZINC000102932776	569828862	/nfs/dbraw/zinc/82/88/62/569828862.db2.gz	MYSFWRVJZRNFEI-OBVHCKHUSA-N	0	1	466.563	2.848	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1=O	ZINC000103689731	569837094	/nfs/dbraw/zinc/83/70/94/569837094.db2.gz	SCJDKZKCFMQTQE-QSAXNBNMSA-N	0	1	461.587	2.941	50	30		JFEAMN
COc1ccc(-n2c(O)c(C=Nc3ccc(I)cc3)c(=O)[nH]c2=O)cc1	ZINC000105992973	569853638	/nfs/dbraw/zinc/85/36/38/569853638.db2.gz	VBQXIBOGQJHWAB-KEBDBYFISA-N	0	1	463.231	2.595	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21	ZINC000221544060	569883720	/nfs/dbraw/zinc/88/37/20/569883720.db2.gz	AJSNFODMFXEQAY-MDZRGWNJSA-N	0	1	498.413	2.679	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C21	ZINC000221544060	569883721	/nfs/dbraw/zinc/88/37/21/569883721.db2.gz	AJSNFODMFXEQAY-MDZRGWNJSA-N	0	1	498.413	2.679	50	30		JFEAMN
C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1	ZINC000245280909	570062168	/nfs/dbraw/zinc/06/21/68/570062168.db2.gz	VUTGIDXRDBPHMC-HYBUGGRVSA-N	0	1	486.634	2.984	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H](O)c3ccc(O)cc3)C1=O)O2	ZINC000253403388	570096880	/nfs/dbraw/zinc/09/68/80/570096880.db2.gz	HDJQLGFFHYCRBY-GWLSYYLCSA-N	0	1	479.485	2.597	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3c(C)noc3C)C1=O)O2	ZINC000253411991	570097853	/nfs/dbraw/zinc/09/78/53/570097853.db2.gz	PNEUQLMIDHMPHX-OBZJUVQRSA-N	0	1	452.463	2.963	50	30	biogenic	JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009353823	124112941	/nfs/dbraw/zinc/11/29/41/124112941.db2.gz	OYZRBYVFURRCTC-MOBKVPTQSA-N	0	1	452.507	2.840	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1	ZINC000004328448	194387892	/nfs/dbraw/zinc/38/78/92/194387892.db2.gz	DJBLSQCVELBQEJ-HXUWFJFHSA-N	0	1	472.549	2.874	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F	ZINC000102483821	130137559	/nfs/dbraw/zinc/13/75/59/130137559.db2.gz	HEQNHZIBARTPON-HFEWCJDKSA-N	0	1	478.524	2.844	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102507735	130162061	/nfs/dbraw/zinc/16/20/61/130162061.db2.gz	YYCCGWCMPMXIMR-HFEWCJDKSA-N	0	1	478.549	2.952	50	30		JFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102520028	130172725	/nfs/dbraw/zinc/17/27/25/130172725.db2.gz	QEEMZBZIZGDVEL-NXLSWJSLSA-N	0	1	496.560	2.862	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(OC)c1OC	ZINC000102751679	130290260	/nfs/dbraw/zinc/29/02/60/130290260.db2.gz	UVUZHOKRCRXUCJ-YDJIHCHBSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000102861981	130332702	/nfs/dbraw/zinc/33/27/02/130332702.db2.gz	DEHJUBIHAXNTLM-ZHHPLPSFSA-N	0	1	466.534	2.766	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000102879366	130354026	/nfs/dbraw/zinc/35/40/26/130354026.db2.gz	GRILFZIGGKYGFD-OBVHCKHUSA-N	0	1	499.564	2.809	50	30		JFEAMN
COc1ccc([N+](=O)[O-])cc1C=NN=c1nc(Nc2ccccc2)[nH]c(N2CCOCC2)n1	ZINC000008872681	518161331	/nfs/dbraw/zinc/16/13/31/518161331.db2.gz	LGXIRRMUPSJBKU-HYARGMPZSA-N	0	1	450.459	2.815	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1	ZINC000036308948	518297041	/nfs/dbraw/zinc/29/70/41/518297041.db2.gz	HQVAZNYXVKROPA-RDPSFJRHSA-N	0	1	484.618	2.737	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009328501	519011482	/nfs/dbraw/zinc/01/14/82/519011482.db2.gz	VKHPVIYZKUKAFW-SBXHHDGASA-N	0	1	494.544	2.720	50	30		JFEAMN
CC(C)(O)C#Cc1ccc(CN2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1	ZINC000020455075	519331697	/nfs/dbraw/zinc/33/16/97/519331697.db2.gz	DVJQYRTYSKNDLO-UHFFFAOYSA-N	0	1	461.541	2.528	50	30		JFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(C(=O)OC)=Nc3nnnn32)ccc1O	ZINC000010231905	520774082	/nfs/dbraw/zinc/77/40/82/520774082.db2.gz	XTYUMQJCHOEEQT-LJQANCHMSA-N	0	1	451.439	2.708	50	30		JFEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000009312889	520780917	/nfs/dbraw/zinc/78/09/17/520780917.db2.gz	SLYMWYZPSVYQIA-NXLSWJSLSA-N	0	1	496.560	2.862	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009470865	520877538	/nfs/dbraw/zinc/87/75/38/520877538.db2.gz	HWRVTMNZDUIVFW-HXUWFJFHSA-N	0	1	456.451	2.581	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)c(OCC)c2)cc1	ZINC000009424180	520877854	/nfs/dbraw/zinc/87/78/54/520877854.db2.gz	OSGCMSVVIYSWNU-JOCHJYFZSA-N	0	1	471.506	2.777	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009452819	521237780	/nfs/dbraw/zinc/23/77/80/521237780.db2.gz	HYKFYJVZCZHGGQ-HXUWFJFHSA-N	0	1	456.451	2.581	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1	ZINC000015952774	522163474	/nfs/dbraw/zinc/16/34/74/522163474.db2.gz	HGGGZLZVLVAKKF-PKOBYXMFSA-N	0	1	489.933	2.892	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009349788	522172212	/nfs/dbraw/zinc/17/22/12/522172212.db2.gz	JIBHJOMOJZPCPA-NYHFZMIOSA-N	0	1	464.518	2.937	50	30		JFEAMN
COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1	ZINC000004328367	522923124	/nfs/dbraw/zinc/92/31/24/522923124.db2.gz	NFRMUTNZJDQGFW-FQEVSTJZSA-N	0	1	457.534	2.985	50	30		JFEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1	ZINC000005356592	523493007	/nfs/dbraw/zinc/49/30/07/523493007.db2.gz	RLFTWCJDXFJZGZ-BHGWPJFGSA-N	0	1	497.353	2.997	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(O)c2)cc1	ZINC000020081947	523551659	/nfs/dbraw/zinc/55/16/59/523551659.db2.gz	DZIAKHDAFJQIPC-QFIPXVFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000009019918	523560738	/nfs/dbraw/zinc/56/07/38/523560738.db2.gz	CAYWNHZNMQZFKW-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
Cc1ccc(Cn2c(NN=Cc3cc(Br)ccc3O)nc3c2c(=O)[nH]c(=O)n3C)cc1	ZINC000005356569	524767585	/nfs/dbraw/zinc/76/75/85/524767585.db2.gz	JJKXIRSKCQAXCT-AUEPDCJTSA-N	0	1	483.326	2.694	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009123371	527092480	/nfs/dbraw/zinc/09/24/80/527092480.db2.gz	CDEOBMAMVYIHPR-FQEVSTJZSA-N	0	1	463.494	2.999	50	30		JFEAMN
Cn1c2nc(NN=Cc3ccncc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O	ZINC000009425053	527121884	/nfs/dbraw/zinc/12/18/84/527121884.db2.gz	JRKJLYHUOHZEGK-YSURURNPSA-N	0	1	458.309	2.630	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000102872121	536562885	/nfs/dbraw/zinc/56/28/85/536562885.db2.gz	NXCYKTPWJDNZPU-SBXHHDGASA-N	0	1	496.560	2.862	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000102703249	536563949	/nfs/dbraw/zinc/56/39/49/536563949.db2.gz	HYLYPZWNTHMNOH-ZHHPLPSFSA-N	0	1	466.534	2.848	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102719926	536854894	/nfs/dbraw/zinc/85/48/94/536854894.db2.gz	GJFYFABKMIHKQH-NHFXJNLRSA-N	0	1	457.479	2.789	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000000906657	553838730	/nfs/dbraw/zinc/83/87/30/553838730.db2.gz	IEJBCGUUNWDAOC-QHCPKHFHSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000008438550	554589717	/nfs/dbraw/zinc/58/97/17/554589717.db2.gz	BUNCMOREHSPNGQ-QHCPKHFHSA-N	0	1	466.534	2.923	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN2CCOCC2)c1	ZINC000008827091	554717093	/nfs/dbraw/zinc/71/70/93/554717093.db2.gz	CHKQKYCCOSEESD-DEOSSOPVSA-N	0	1	490.560	2.952	50	30		JFEAMN
COc1ccccc1[C@H]1C(C(=O)c2c(C)nc3ccccn32)C(=O)C(=O)N1CCCN1CCOCC1	ZINC000008827089	554717133	/nfs/dbraw/zinc/71/71/33/554717133.db2.gz	PWSHKHXXEHQIDE-DEOSSOPVSA-N	0	1	490.560	2.952	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000008836958	554737308	/nfs/dbraw/zinc/73/73/08/554737308.db2.gz	CXBMAVVHRCHNKR-HSZRJFAPSA-N	0	1	466.534	2.923	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cc1OC	ZINC000008859882	554756344	/nfs/dbraw/zinc/75/63/44/554756344.db2.gz	TUFBVQCVAOOURV-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008871819	554767558	/nfs/dbraw/zinc/76/75/58/554767558.db2.gz	JQGVRZKOTSRGFM-NRFANRHFSA-N	0	1	451.479	2.814	50	30		JFEAMN
COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N2CCCC2)c1	ZINC000008919690	554816543	/nfs/dbraw/zinc/81/65/43/554816543.db2.gz	YXYYDQSLAFXVDI-DEOSSOPVSA-N	0	1	496.633	2.921	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008987577	554850168	/nfs/dbraw/zinc/85/01/68/554850168.db2.gz	ZTYCJMGHETUPEQ-MOBKVPTQSA-N	0	1	470.522	2.704	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000009007654	554860952	/nfs/dbraw/zinc/86/09/52/554860952.db2.gz	BHGVIUYBOYBKHU-ZHHPLPSFSA-N	0	1	466.534	2.848	50	30		JFEAMN
Cn1c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O	ZINC000009192840	554966193	/nfs/dbraw/zinc/96/61/93/554966193.db2.gz	PHJJDEGQNSQCPS-DHRITJCHSA-N	0	1	469.461	2.979	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000019898498	555534135	/nfs/dbraw/zinc/53/41/35/555534135.db2.gz	JJBINJTXVQAKCJ-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000019928271	555543512	/nfs/dbraw/zinc/54/35/12/555543512.db2.gz	ZJHIEBBPHYOHBG-FQEVSTJZSA-N	0	1	491.997	2.730	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000019957186	555572067	/nfs/dbraw/zinc/57/20/67/555572067.db2.gz	RQKORJZYZFHFMV-FQEVSTJZSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)cc1F	ZINC000013690659	555584836	/nfs/dbraw/zinc/58/48/36/555584836.db2.gz	YMOOZISXBDWCJD-HXUWFJFHSA-N	0	1	458.486	2.991	50	30		JFEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c(C)n1	ZINC000013690775	555584849	/nfs/dbraw/zinc/58/48/49/555584849.db2.gz	NNFUKCQFQUUJOC-SFHVURJKSA-N	0	1	459.344	2.996	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000013727759	555601552	/nfs/dbraw/zinc/60/15/52/555601552.db2.gz	YLKXCVPMBSICJP-OAQYLSRUSA-N	0	1	458.461	2.884	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020025551	555603517	/nfs/dbraw/zinc/60/35/17/555603517.db2.gz	NPCMXEHXICTRPI-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000020029569	555604930	/nfs/dbraw/zinc/60/49/30/555604930.db2.gz	KLZXUUXWCJOTQD-JOCHJYFZSA-N	0	1	482.533	2.623	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1	ZINC000013810090	555625201	/nfs/dbraw/zinc/62/52/01/555625201.db2.gz	ROIOLVKKUCACKH-GOSISDBHSA-N	0	1	450.543	2.964	50	30		JFEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020193160	555694348	/nfs/dbraw/zinc/69/43/48/555694348.db2.gz	FCPDCENFXMJOIT-DEOSSOPVSA-N	0	1	492.528	2.891	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020218898	555712736	/nfs/dbraw/zinc/71/27/36/555712736.db2.gz	VZNSPWYRQDREDG-BMOUEYTDSA-N	0	1	468.506	2.607	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020230156	555720659	/nfs/dbraw/zinc/72/06/59/555720659.db2.gz	WYTDYBMHXOIXOB-FQEVSTJZSA-N	0	1	453.451	2.506	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c(O)c1	ZINC000020309436	555766529	/nfs/dbraw/zinc/76/65/29/555766529.db2.gz	LMHRNXIQTUFREU-QFIPXVFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccs3)ccc2O1	ZINC000024146874	556123296	/nfs/dbraw/zinc/12/32/96/556123296.db2.gz	YJOJAVSMIGDXDQ-VFNWGFHPSA-N	0	1	454.548	2.982	50	30		JFEAMN
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCN(C)C	ZINC000024147363	556123671	/nfs/dbraw/zinc/12/36/71/556123671.db2.gz	BXRUYEBOSQTWJT-RUZDIDTESA-N	0	1	451.498	2.876	50	30		JFEAMN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193222	556126635	/nfs/dbraw/zinc/12/66/35/556126635.db2.gz	HAPCKRBBHIJKSW-JYRCXFKTSA-N	0	1	487.556	2.837	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)C[C@H]1OC	ZINC000016750513	556157248	/nfs/dbraw/zinc/15/72/48/556157248.db2.gz	NGYYJZPVJRGOGG-PNDGYVOYSA-N	0	1	468.550	2.653	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)C[C@H]1OC	ZINC000016750513	556157250	/nfs/dbraw/zinc/15/72/50/556157250.db2.gz	NGYYJZPVJRGOGG-PNDGYVOYSA-N	0	1	468.550	2.653	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000016944690	556182540	/nfs/dbraw/zinc/18/25/40/556182540.db2.gz	HCWVDIIXCVOHBS-XMMPIXPASA-N	0	1	496.560	2.931	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Cl)c1	ZINC000017163315	556230103	/nfs/dbraw/zinc/23/01/03/556230103.db2.gz	HQGPQIWZLRUBGT-LJQANCHMSA-N	0	1	478.954	2.815	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)c(C)c1	ZINC000017197141	556238959	/nfs/dbraw/zinc/23/89/59/556238959.db2.gz	BNWRWZRKHBCPEB-QFIPXVFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008438654	569589635	/nfs/dbraw/zinc/58/96/35/569589635.db2.gz	KBAFKLFBVHGSTP-OAQYLSRUSA-N	0	1	472.925	2.965	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc2c(c1)OCO2	ZINC000085413562	569710688	/nfs/dbraw/zinc/71/06/88/569710688.db2.gz	RQQKQGQFEXWABZ-VFNWGFHPSA-N	0	1	451.431	2.901	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000085413558	569710701	/nfs/dbraw/zinc/71/07/01/569710701.db2.gz	RQQKQGQFEXWABZ-QVKFZJNVSA-N	0	1	451.431	2.901	50	30		JFEAMN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036313409	569760778	/nfs/dbraw/zinc/76/07/78/569760778.db2.gz	XJHKJEXWAYXENS-PMACEKPBSA-N	0	1	475.561	2.862	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21	ZINC000100910826	569775370	/nfs/dbraw/zinc/77/53/70/569775370.db2.gz	XQLGFDHONDELJD-FCEWJHQRSA-N	0	1	499.306	2.967	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21	ZINC000100910826	569775371	/nfs/dbraw/zinc/77/53/71/569775371.db2.gz	XQLGFDHONDELJD-FCEWJHQRSA-N	0	1	499.306	2.967	50	30		JFEAMN
COc1cc([N+](=O)[O-])cc(C=NN=c2nc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1O	ZINC000036653062	569779725	/nfs/dbraw/zinc/77/97/25/569779725.db2.gz	SNRKNUYJMBMRIX-HYARGMPZSA-N	0	1	456.507	2.921	50	30		JFEAMN
Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cnn1-c1ccccc1	ZINC000102863504	569825432	/nfs/dbraw/zinc/82/54/32/569825432.db2.gz	ZEPSFJNUZMCILZ-NXLSWJSLSA-N	0	1	472.545	2.935	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000105003769	569849471	/nfs/dbraw/zinc/84/94/71/569849471.db2.gz	HJQCCYCREDXKRN-RBBKRZOGSA-N	0	1	486.634	2.984	50	30		JFEAMN
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000239248078	570049825	/nfs/dbraw/zinc/04/98/25/570049825.db2.gz	XZSIBNOTUHHFOF-XTDINYQCSA-N	0	1	488.493	2.874	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@H]3COc4ccccc4O3)C1=O)O2	ZINC000253413123	570098123	/nfs/dbraw/zinc/09/81/23/570098123.db2.gz	TWHCABRHIZBTRV-PCXQBKHDSA-N	0	1	491.496	2.998	50	30	biogenic	JFEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1	ZINC000254679141	570106032	/nfs/dbraw/zinc/10/60/32/570106032.db2.gz	KPGYSSXQSPMHQX-UHFFFAOYSA-N	0	1	497.353	2.699	50	30		JFEAMN
Cc1cc(=O)oc2c(/C=N/CC(O)C/N=C/c3c(O)ccc4c(C)cc(=O)oc34)c(O)ccc12	ZINC000334160348	570184640	/nfs/dbraw/zinc/18/46/40/570184640.db2.gz	BNGMJGHEDSQUSB-LYXAAFRTSA-N	0	1	462.458	2.826	50	30		JFEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)C)cc1	ZINC000102402543	130126339	/nfs/dbraw/zinc/12/63/39/130126339.db2.gz	UAYCDYLDJLULJZ-MOBKVPTQSA-N	0	1	452.555	2.904	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102525397	130177755	/nfs/dbraw/zinc/17/77/55/130177755.db2.gz	HEUGKOOLKFVNBQ-MOBKVPTQSA-N	0	1	464.518	2.536	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1	ZINC000102705107	130250412	/nfs/dbraw/zinc/25/04/12/130250412.db2.gz	AIOCNYOQJVVAJT-FPUHYBSFSA-N	0	1	489.933	2.735	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c1C	ZINC000102859139	130329526	/nfs/dbraw/zinc/32/95/26/130329526.db2.gz	NHSALAGZYPZRDI-QOJBNDRUSA-N	0	1	457.502	2.931	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1	ZINC000102868179	130341323	/nfs/dbraw/zinc/34/13/23/130341323.db2.gz	PNGVROHNFBIGLA-HOGKFDNTSA-N	0	1	484.936	2.865	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000102880994	130357480	/nfs/dbraw/zinc/35/74/80/130357480.db2.gz	KQDQDXRVGYGMCI-VAGBDARLSA-N	0	1	478.545	2.860	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000102896655	130378845	/nfs/dbraw/zinc/37/88/45/130378845.db2.gz	BLEIGYOAZXJFAC-NXLSWJSLSA-N	0	1	496.560	2.944	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1	ZINC000036309577	518308634	/nfs/dbraw/zinc/30/86/34/518308634.db2.gz	IYXQFIPECBRFKV-OFNKIYASSA-N	0	1	472.582	2.867	50	30		JFEAMN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249825	518986522	/nfs/dbraw/zinc/98/65/22/518986522.db2.gz	MJDJVXCBSMMMBU-VXKWHMMOSA-N	0	1	457.571	2.723	50	30		JFEAMN
CCCCCCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000036237433	520140507	/nfs/dbraw/zinc/14/05/07/520140507.db2.gz	RACDVARCOLXJIZ-NHDPSOOVSA-N	0	1	463.336	2.918	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1	ZINC000004328450	520963386	/nfs/dbraw/zinc/96/33/86/520963386.db2.gz	DJBLSQCVELBQEJ-FQEVSTJZSA-N	0	1	472.549	2.874	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009353821	521234257	/nfs/dbraw/zinc/23/42/57/521234257.db2.gz	OYZRBYVFURRCTC-HOGKFDNTSA-N	0	1	452.507	2.840	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2OC)c1C	ZINC000004039838	521361440	/nfs/dbraw/zinc/36/14/40/521361440.db2.gz	OEWDYLWFHUJFFA-OAQYLSRUSA-N	0	1	499.564	2.965	50	30		JFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000009354874	523344256	/nfs/dbraw/zinc/34/42/56/523344256.db2.gz	UHCQADDXTOPJPP-FQEVSTJZSA-N	0	1	462.529	2.855	50	30		JFEAMN
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(CCCN5CCOCC5)c4ncn3n2)cc1	ZINC000020573201	523452408	/nfs/dbraw/zinc/45/24/08/523452408.db2.gz	LSDWKGQYJXVOHX-JFLMPSFJSA-N	0	1	477.569	2.977	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000009020120	523559641	/nfs/dbraw/zinc/55/96/41/523559641.db2.gz	HMXGSEWRIZOFGJ-XMMPIXPASA-N	0	1	496.560	2.931	50	30		JFEAMN
CN1CCN([C@@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735157	523916943	/nfs/dbraw/zinc/91/69/43/523916943.db2.gz	ARDGXCKPERHVDM-DEOSSOPVSA-N	0	1	495.027	2.637	50	30		JFEAMN
CN1CCN([C@H](CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)c2ccc3c(c2)CCCN3C)CC1	ZINC000022735160	523919300	/nfs/dbraw/zinc/91/93/00/523919300.db2.gz	ARDGXCKPERHVDM-XMMPIXPASA-N	0	1	495.027	2.637	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000004039873	524020813	/nfs/dbraw/zinc/02/08/13/524020813.db2.gz	UBUINVOZDRIFFQ-HXUWFJFHSA-N	0	1	455.511	2.567	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000016286579	524976173	/nfs/dbraw/zinc/97/61/73/524976173.db2.gz	YOZAHOFVSPISBL-QMHKHESXSA-N	0	1	493.516	2.829	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000015837041	524978281	/nfs/dbraw/zinc/97/82/81/524978281.db2.gz	MGDUIWMFACWUAS-AVRWGWEMSA-N	0	1	491.588	2.987	50	30		JFEAMN
O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000009837319	527050850	/nfs/dbraw/zinc/05/08/50/527050850.db2.gz	DPRWWVGIWGVOFL-UHFFFAOYSA-N	0	1	474.543	2.812	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1	ZINC000006143610	527670958	/nfs/dbraw/zinc/67/09/58/527670958.db2.gz	VAMYHHOGXQALSS-JOCHJYFZSA-N	0	1	450.491	2.716	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102700268	535417619	/nfs/dbraw/zinc/41/76/19/535417619.db2.gz	LVIPXULZHCFADK-HOGKFDNTSA-N	0	1	454.498	2.978	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000102559024	536539345	/nfs/dbraw/zinc/53/93/45/536539345.db2.gz	BGEZUTGISTYHNM-MRJHHRETSA-N	0	1	467.474	2.703	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)c(C)c1	ZINC000102509957	536563757	/nfs/dbraw/zinc/56/37/57/536563757.db2.gz	VMVDXCAUKYLRDR-ZHHPLPSFSA-N	0	1	466.534	2.853	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102877442	536566826	/nfs/dbraw/zinc/56/68/26/536566826.db2.gz	DIWMXZJYDIIIGL-HOGKFDNTSA-N	0	1	481.505	2.666	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000006499011	554546895	/nfs/dbraw/zinc/54/68/95/554546895.db2.gz	SATNSHHAXLYZDM-OAQYLSRUSA-N	0	1	467.474	2.859	50	30		JFEAMN
CCOc1cc([C@@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008438534	554589737	/nfs/dbraw/zinc/58/97/37/554589737.db2.gz	YJFKSLZJZKEHKW-HSZRJFAPSA-N	0	1	482.533	2.710	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000008816697	554698807	/nfs/dbraw/zinc/69/88/07/554698807.db2.gz	PPTKXSHWMSPOKF-QFIPXVFZSA-N	0	1	464.497	2.692	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(F)c1	ZINC000008826922	554716765	/nfs/dbraw/zinc/71/67/65/554716765.db2.gz	GKWWWIRTTOQPAF-JOCHJYFZSA-N	0	1	464.497	2.692	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000008892557	554780966	/nfs/dbraw/zinc/78/09/66/554780966.db2.gz	LDAJJLBPGZNJND-OAQYLSRUSA-N	0	1	485.537	2.575	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000008922280	554819155	/nfs/dbraw/zinc/81/91/55/554819155.db2.gz	ZFDQDAMYFGDQGG-QFIPXVFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009007523	554860603	/nfs/dbraw/zinc/86/06/03/554860603.db2.gz	KJGQPMKHLMEBLU-NRFANRHFSA-N	0	1	467.478	2.514	50	30		JFEAMN
CCN1CCN(c2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	ZINC000013598514	555529800	/nfs/dbraw/zinc/52/98/00/555529800.db2.gz	BCUBLTGIFRNYBY-UNOMPAQXSA-N	0	1	483.619	2.702	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000019958288	555572102	/nfs/dbraw/zinc/57/21/02/555572102.db2.gz	ROTCFIAJXRVCOZ-OAQYLSRUSA-N	0	1	470.497	2.753	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013693454	555588280	/nfs/dbraw/zinc/58/82/80/555588280.db2.gz	VNOCHWICZQCHCQ-HXUWFJFHSA-N	0	1	456.470	2.761	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000013732057	555604186	/nfs/dbraw/zinc/60/41/86/555604186.db2.gz	LCUUWCOSEOJRRM-OAQYLSRUSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(OC)c1OC	ZINC000013734601	555605484	/nfs/dbraw/zinc/60/54/84/555605484.db2.gz	ICLCKRHGRJJVGE-FQEVSTJZSA-N	0	1	458.486	2.991	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020230158	555720719	/nfs/dbraw/zinc/72/07/19/555720719.db2.gz	WYTDYBMHXOIXOB-HXUWFJFHSA-N	0	1	453.451	2.506	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020309404	555766563	/nfs/dbraw/zinc/76/65/63/555766563.db2.gz	WMQLHWOSCFDEDI-QHCPKHFHSA-N	0	1	482.533	2.710	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1	ZINC000012776180	556111213	/nfs/dbraw/zinc/11/12/13/556111213.db2.gz	XEXWYEGLQDIGGK-QFIPXVFZSA-N	0	1	451.523	2.779	50	30		JFEAMN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193193	556126322	/nfs/dbraw/zinc/12/63/22/556126322.db2.gz	FWNRLNJWCCOKJC-RKOGDMNLSA-N	0	1	475.545	2.671	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000017146766	556226372	/nfs/dbraw/zinc/22/63/72/556226372.db2.gz	LJNTYLIPYXELHD-XMMPIXPASA-N	0	1	496.560	2.931	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000017179973	556234505	/nfs/dbraw/zinc/23/45/05/556234505.db2.gz	KZPDMTSVVBFDRM-XMMPIXPASA-N	0	1	496.560	2.931	50	30		JFEAMN
Cc1cc(C)nc(NC(=NCCc2c[nH]c3ccc(Cl)cc23)NC(O)=CSc2nnc(N)[nH]2)n1	ZINC000018088295	556285926	/nfs/dbraw/zinc/28/59/26/556285926.db2.gz	QESAURKDFGOBON-UHFFFAOYSA-N	0	1	499.004	2.848	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000028960668	556345004	/nfs/dbraw/zinc/34/50/04/556345004.db2.gz	WJBTUWIUAKSAOU-UHFFFAOYSA-N	0	1	483.638	2.735	50	30		JFEAMN
Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C#N)c3)c(C)n2C)sc1C(=O)N1CCOCC1	ZINC000065036116	569653073	/nfs/dbraw/zinc/65/30/73/569653073.db2.gz	ZIOVVOWGLGQKOT-UHFFFAOYSA-N	0	1	485.591	2.910	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102856735	569824627	/nfs/dbraw/zinc/82/46/27/569824627.db2.gz	XYNHJRBCRYRVTB-JBCNATCCSA-N	0	1	451.479	2.657	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000102932915	569829052	/nfs/dbraw/zinc/82/90/52/569829052.db2.gz	CUKFCZHTJMUFJI-HOGKFDNTSA-N	0	1	470.497	2.597	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1	ZINC000105004370	569849651	/nfs/dbraw/zinc/84/96/51/569849651.db2.gz	VUTGIDXRDBPHMC-GBXCKJPGSA-N	0	1	486.634	2.984	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C1CC1	ZINC000169679596	569869885	/nfs/dbraw/zinc/86/98/85/569869885.db2.gz	URYNQVQNFWNTCV-YKSBVNFPSA-N	0	1	484.618	2.737	50	30		JFEAMN
COC(=O)[C@H](CC(C)C)NC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000263584764	570170734	/nfs/dbraw/zinc/17/07/34/570170734.db2.gz	AHSHWMDROLHSNL-QCKOTARZSA-N	0	1	471.506	2.746	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCN(C(=O)C4CC4)CC3)C1=O)O2	ZINC000263585315	570170963	/nfs/dbraw/zinc/17/09/63/570170963.db2.gz	HGBOMQGPXXOHPD-OEJOPCPASA-N	0	1	494.544	2.559	50	30	biogenic	JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000009044147	124011902	/nfs/dbraw/zinc/01/19/02/124011902.db2.gz	FRAALUVFFGNGGW-NXLSWJSLSA-N	0	1	496.560	2.856	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(O)c3)ccc2O1	ZINC000006498604	194429294	/nfs/dbraw/zinc/42/92/94/194429294.db2.gz	BHGDTCPANWBITB-MWTRTKDXSA-N	0	1	464.518	2.626	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102542884	130199113	/nfs/dbraw/zinc/19/91/13/130199113.db2.gz	NOPCOYRBZCLAEH-AYWGPLOBSA-N	0	1	466.534	2.766	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1	ZINC000102564262	130211961	/nfs/dbraw/zinc/21/19/61/130211961.db2.gz	PBZPRZZJFDQHAV-GHNGSUTGSA-N	0	1	491.294	2.788	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102743492	130286666	/nfs/dbraw/zinc/28/66/66/130286666.db2.gz	NQIUNVZZKVRERN-MRJHHRETSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102743488	130286677	/nfs/dbraw/zinc/28/66/77/130286677.db2.gz	NQIUNVZZKVRERN-JBCNATCCSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102746366	130287470	/nfs/dbraw/zinc/28/74/70/130287470.db2.gz	RCQDMNBXOZPZCU-MRJHHRETSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102748738	130289065	/nfs/dbraw/zinc/28/90/65/130289065.db2.gz	NGISWSCUEBKTQR-MRJHHRETSA-N	0	1	458.486	2.835	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102859336	130329378	/nfs/dbraw/zinc/32/93/78/130329378.db2.gz	XPPASKCJEPXRDI-JBCNATCCSA-N	0	1	484.936	2.881	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(F)c1	ZINC000102883409	130363997	/nfs/dbraw/zinc/36/39/97/130363997.db2.gz	JFLRKWGCMGBSFO-BUANBSPESA-N	0	1	478.524	2.926	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2)cc1	ZINC000102892558	130374808	/nfs/dbraw/zinc/37/48/08/130374808.db2.gz	XHQZUTNHSWRWTD-MRJHHRETSA-N	0	1	472.563	2.785	50	30		JFEAMN
C#CCN1c2ccc(Cl)cc2[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)C1=O	ZINC000095478470	518274090	/nfs/dbraw/zinc/27/40/90/518274090.db2.gz	VGVBMFXHMJZUDR-QFIPXVFZSA-N	0	1	458.869	2.758	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1	ZINC000036308947	518296048	/nfs/dbraw/zinc/29/60/48/518296048.db2.gz	HQVAZNYXVKROPA-GBXCKJPGSA-N	0	1	484.618	2.737	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009458027	520877732	/nfs/dbraw/zinc/87/77/32/520877732.db2.gz	WMFPZJVXQYOEBV-QFIPXVFZSA-N	0	1	471.506	2.690	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000009425009	520878371	/nfs/dbraw/zinc/87/83/71/520878371.db2.gz	IHABTLGIBLFPOL-JOCHJYFZSA-N	0	1	471.506	2.690	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1	ZINC000009435996	520963038	/nfs/dbraw/zinc/96/30/38/520963038.db2.gz	ROIOLVKKUCACKH-SFHVURJKSA-N	0	1	450.543	2.964	50	30		JFEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000020546563	521416774	/nfs/dbraw/zinc/41/67/74/521416774.db2.gz	DIFYXSXLUXEWAH-JOCHJYFZSA-N	0	1	452.507	2.996	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000015952771	522171757	/nfs/dbraw/zinc/17/17/57/522171757.db2.gz	HGGGZLZVLVAKKF-MJGOQNOKSA-N	0	1	489.933	2.892	50	30		JFEAMN
COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1	ZINC000004328365	522922610	/nfs/dbraw/zinc/92/26/10/522922610.db2.gz	NFRMUTNZJDQGFW-HXUWFJFHSA-N	0	1	457.534	2.985	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000008662369	522954634	/nfs/dbraw/zinc/95/46/34/522954634.db2.gz	DRUAKIFFMOQTGC-QFIPXVFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)Nc1ccc(C#N)cc1	ZINC000033276605	523075353	/nfs/dbraw/zinc/07/53/53/523075353.db2.gz	MLWUIDSTAGOAQO-UHFFFAOYSA-N	0	1	465.491	2.912	50	30		JFEAMN
COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1	ZINC000009355022	523354870	/nfs/dbraw/zinc/35/48/70/523354870.db2.gz	UHCQADDXTOPJPP-HXUWFJFHSA-N	0	1	462.529	2.855	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000009020121	523558534	/nfs/dbraw/zinc/55/85/34/523558534.db2.gz	HMXGSEWRIZOFGJ-DEOSSOPVSA-N	0	1	496.560	2.931	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000009339609	524172125	/nfs/dbraw/zinc/17/21/25/524172125.db2.gz	YQDZTHKIURPTGP-NRFANRHFSA-N	0	1	464.522	2.800	50	30		JFEAMN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)n1	ZINC000006229140	524215446	/nfs/dbraw/zinc/21/54/46/524215446.db2.gz	QPMSHFRSHKJYMI-UHFFFAOYSA-N	0	1	454.537	2.892	50	30		JFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008743407	525758501	/nfs/dbraw/zinc/75/85/01/525758501.db2.gz	FZYVKSADJBXFPL-JBCNATCCSA-N	0	1	470.522	2.704	50	30		JFEAMN
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN3CCN(Cc4ccccc4)CC3)c2c1C#N	ZINC000020479414	526143761	/nfs/dbraw/zinc/14/37/61/526143761.db2.gz	JZMZJELIIXNAIZ-QFIPXVFZSA-N	0	1	455.562	2.613	50	30		JFEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1	ZINC000019882573	526267875	/nfs/dbraw/zinc/26/78/75/526267875.db2.gz	HHWXYIYXPKQUOJ-IBGZPJMESA-N	0	1	472.339	2.755	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1	ZINC000004039981	527176242	/nfs/dbraw/zinc/17/62/42/527176242.db2.gz	RRLAWLBBYGIQQY-HXUWFJFHSA-N	0	1	452.536	2.615	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000016741338	527672551	/nfs/dbraw/zinc/67/25/51/527672551.db2.gz	GUZNHLIWXWPRGM-JOCHJYFZSA-N	0	1	468.481	2.507	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000102559019	536539763	/nfs/dbraw/zinc/53/97/63/536539763.db2.gz	BGEZUTGISTYHNM-JBCNATCCSA-N	0	1	467.474	2.703	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1C	ZINC000102533249	536563912	/nfs/dbraw/zinc/56/39/12/536563912.db2.gz	WJXQYJWWNFVJQJ-AYWGPLOBSA-N	0	1	466.534	2.853	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1	ZINC000102537157	536564486	/nfs/dbraw/zinc/56/44/86/536564486.db2.gz	YXOBCIFNDNAPME-MOBKVPTQSA-N	0	1	454.498	2.978	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000102746597	536565280	/nfs/dbraw/zinc/56/52/80/536565280.db2.gz	PIXMFMSGUDZUIJ-JBCNATCCSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000102926793	536566765	/nfs/dbraw/zinc/56/67/65/536566765.db2.gz	LMBSHOYXILCNED-NXLSWJSLSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1F	ZINC000102740711	536567101	/nfs/dbraw/zinc/56/71/01/536567101.db2.gz	PAXBGJTVRIGSFI-JBCNATCCSA-N	0	1	458.461	2.727	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000000906661	553838795	/nfs/dbraw/zinc/83/87/95/553838795.db2.gz	IEJBCGUUNWDAOC-HSZRJFAPSA-N	0	1	482.533	2.623	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000008816698	554698736	/nfs/dbraw/zinc/69/87/36/554698736.db2.gz	PPTKXSHWMSPOKF-JOCHJYFZSA-N	0	1	464.497	2.692	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000008834746	554732917	/nfs/dbraw/zinc/73/29/17/554732917.db2.gz	YEOWYFDRBROCBW-HSZRJFAPSA-N	0	1	466.534	2.923	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)CC1	ZINC000008836100	554735849	/nfs/dbraw/zinc/73/58/49/554735849.db2.gz	JYAABZUDGHBIPX-IBGZPJMESA-N	0	1	458.522	2.832	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000008838059	554739388	/nfs/dbraw/zinc/73/93/88/554739388.db2.gz	HATWPXDSYJIXIK-MOBKVPTQSA-N	0	1	454.498	2.978	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000008858458	554755504	/nfs/dbraw/zinc/75/55/04/554755504.db2.gz	WQVYBOSAXGITHA-JOCHJYFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000013617591	555536945	/nfs/dbraw/zinc/53/69/45/555536945.db2.gz	XSDOEXXPBRKKRX-QFIPXVFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1	ZINC000013720388	555595909	/nfs/dbraw/zinc/59/59/09/555595909.db2.gz	XIHORWZCJLFVPU-FQEVSTJZSA-N	0	1	458.946	2.601	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020025548	555603524	/nfs/dbraw/zinc/60/35/24/555603524.db2.gz	NPCMXEHXICTRPI-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(C)n1	ZINC000013731397	555603848	/nfs/dbraw/zinc/60/38/48/555603848.db2.gz	PJOMGVMCPYOQIG-FQEVSTJZSA-N	0	1	456.930	2.657	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013736193	555606088	/nfs/dbraw/zinc/60/60/88/555606088.db2.gz	ABTHQJOMWDUKTM-NRFANRHFSA-N	0	1	458.486	2.991	50	30		JFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000020082572	555630985	/nfs/dbraw/zinc/63/09/85/555630985.db2.gz	ZBYMYSXSRDYFGW-HSZRJFAPSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c(OC)c1	ZINC000020219248	555713441	/nfs/dbraw/zinc/71/34/41/555713441.db2.gz	SNQDYWJCDLCVSY-JOCHJYFZSA-N	0	1	468.506	2.615	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020219367	555714161	/nfs/dbraw/zinc/71/41/61/555714161.db2.gz	MPXOCEKXZSAXJZ-OAQYLSRUSA-N	0	1	469.538	2.957	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020219367	555714163	/nfs/dbraw/zinc/71/41/63/555714163.db2.gz	MPXOCEKXZSAXJZ-OAQYLSRUSA-N	0	1	469.538	2.957	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000020231463	555721327	/nfs/dbraw/zinc/72/13/27/555721327.db2.gz	UWTLPVYTUJMDOU-QFIPXVFZSA-N	0	1	468.506	2.615	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c(O)c1	ZINC000020309560	555766844	/nfs/dbraw/zinc/76/68/44/555766844.db2.gz	PIGKYOIAXPSUCY-OAQYLSRUSA-N	0	1	472.925	2.965	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1Cl	ZINC000012757672	556108652	/nfs/dbraw/zinc/10/86/52/556108652.db2.gz	MHHZRZUNXCGNNR-HXUWFJFHSA-N	0	1	457.914	2.654	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193224	556126627	/nfs/dbraw/zinc/12/66/27/556126627.db2.gz	HAPCKRBBHIJKSW-UULLZXFKSA-N	0	1	487.556	2.837	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000017196860	556238432	/nfs/dbraw/zinc/23/84/32/556238432.db2.gz	CETJHPDEKHSOBQ-XDHUDOTRSA-N	0	1	478.545	2.929	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1	ZINC000017207457	556241112	/nfs/dbraw/zinc/24/11/12/556241112.db2.gz	WJDRKGGKOVWVDW-HXUWFJFHSA-N	0	1	458.536	2.552	50	30		JFEAMN
Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(C#N)cc4)c(Cl)cc32)no1	ZINC000065022427	569648956	/nfs/dbraw/zinc/64/89/56/569648956.db2.gz	XGEJJUQXJHXZEL-UHFFFAOYSA-N	0	1	459.871	2.630	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2	ZINC000085413539	569710598	/nfs/dbraw/zinc/71/05/98/569710598.db2.gz	MMLOHFQJHJPPCS-QFIPXVFZSA-N	0	1	494.500	2.827	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc2c(c1)OCO2	ZINC000085413554	569710621	/nfs/dbraw/zinc/71/06/21/569710621.db2.gz	RQQKQGQFEXWABZ-BTYIYWSLSA-N	0	1	451.431	2.901	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101287035	569789319	/nfs/dbraw/zinc/78/93/19/569789319.db2.gz	VMSJRNWINJJRBI-ZHHPLPSFSA-N	0	1	493.516	2.914	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000102864850	569825590	/nfs/dbraw/zinc/82/55/90/569825590.db2.gz	JWBNIYKVTZPYHQ-MOBKVPTQSA-N	0	1	481.505	2.666	50	30		JFEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(Br)cc1	ZINC000102868888	569825738	/nfs/dbraw/zinc/82/57/38/569825738.db2.gz	OLHZGLYTHKUTMQ-GHNGSUTGSA-N	0	1	491.294	2.788	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000102932913	569829054	/nfs/dbraw/zinc/82/90/54/569829054.db2.gz	CUKFCZHTJMUFJI-MOBKVPTQSA-N	0	1	470.497	2.597	50	30		JFEAMN
CC[C@H](C)[C@H](NC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)C(=O)OC	ZINC000263585236	570170941	/nfs/dbraw/zinc/17/09/41/570170941.db2.gz	GOJWCCCYORPUGI-YHZGSPRCSA-N	0	1	471.506	2.746	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](C)c3nnc4ccccn43)C1=O)O2	ZINC000263586055	570171468	/nfs/dbraw/zinc/17/14/68/570171468.db2.gz	PHFISFDRBPZRKJ-JVRFTUQXSA-N	0	1	488.500	2.962	50	30	biogenic	JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102502002	130155899	/nfs/dbraw/zinc/15/58/99/130155899.db2.gz	DGTNMSNVDNLVDS-ASBZNUFUSA-N	0	1	484.509	2.700	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccco2)[C@H]1c1ccc(I)cc1	ZINC000102523397	130175591	/nfs/dbraw/zinc/17/55/91/130175591.db2.gz	UZRPXFAGHVQERQ-DPEHCCBOSA-N	0	1	453.232	2.952	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102526807	130179135	/nfs/dbraw/zinc/17/91/35/130179135.db2.gz	AVLILEZRXWCJFP-VAGBDARLSA-N	0	1	478.545	2.773	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102553954	130204564	/nfs/dbraw/zinc/20/45/64/130204564.db2.gz	QCDIWFKITDXXJT-CBLITQMPSA-N	0	1	464.518	2.780	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102652945	130232861	/nfs/dbraw/zinc/23/28/61/130232861.db2.gz	QCDIWFKITDXXJT-IXBTYZTBSA-N	0	1	464.518	2.780	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000102697818	130244586	/nfs/dbraw/zinc/24/45/86/130244586.db2.gz	SAEGWDCMMSUFDJ-HOGKFDNTSA-N	0	1	466.534	2.766	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102863699	130335294	/nfs/dbraw/zinc/33/52/94/130335294.db2.gz	GAAMFUFXICQFGQ-OBVHCKHUSA-N	0	1	476.533	2.721	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000102880997	130357462	/nfs/dbraw/zinc/35/74/62/130357462.db2.gz	KQDQDXRVGYGMCI-IYGWJSLMSA-N	0	1	478.545	2.860	50	30		JFEAMN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccccc1	ZINC000102887477	130368584	/nfs/dbraw/zinc/36/85/84/130368584.db2.gz	KZHAGSJXNBGQMD-MOBKVPTQSA-N	0	1	484.574	2.929	50	30		JFEAMN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccccc1	ZINC000102887475	130368664	/nfs/dbraw/zinc/36/86/64/130368664.db2.gz	KZHAGSJXNBGQMD-HOGKFDNTSA-N	0	1	484.574	2.929	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102889255	130370258	/nfs/dbraw/zinc/37/02/58/130370258.db2.gz	VUQIEPMWTYMZIW-MOBKVPTQSA-N	0	1	471.506	2.533	50	30		JFEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102889771	130371011	/nfs/dbraw/zinc/37/10/11/130371011.db2.gz	OLWOJMKZZIIHML-SBXHHDGASA-N	0	1	494.544	2.610	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000102895367	130377452	/nfs/dbraw/zinc/37/74/52/130377452.db2.gz	MTWHSPAEJRKCAE-MOBKVPTQSA-N	0	1	471.506	2.533	50	30		JFEAMN
C#CCOc1c(I)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	ZINC000015945707	518317932	/nfs/dbraw/zinc/31/79/32/518317932.db2.gz	WFJOAHJSUNFBHD-GDNBJRDFSA-N	0	1	474.254	2.773	50	30		JFEAMN
CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000009144939	518454559	/nfs/dbraw/zinc/45/45/59/518454559.db2.gz	SGNDWQCCNURSKJ-MXAYSNPKSA-N	0	1	481.900	2.880	50	30		JFEAMN
CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)o1)C(=O)C(=O)N2CCCN1CCOCC1	ZINC000020358239	519865747	/nfs/dbraw/zinc/86/57/47/519865747.db2.gz	IIRBMVZBKDFZFS-HHHXNRCGSA-N	0	1	493.560	2.799	50	30		JFEAMN
CCCCCCn1c(NN=Cc2cc(Br)c(O)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009057727	520138811	/nfs/dbraw/zinc/13/88/11/520138811.db2.gz	RTRLMCUXFJTNKI-SSDVNMTOSA-N	0	1	493.362	2.926	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009374529	520878745	/nfs/dbraw/zinc/87/87/45/520878745.db2.gz	ZAPFNNMJLKSNHP-JOCHJYFZSA-N	0	1	471.506	2.690	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009374527	520878898	/nfs/dbraw/zinc/87/88/98/520878898.db2.gz	ZAPFNNMJLKSNHP-QFIPXVFZSA-N	0	1	471.506	2.690	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009301913	521233726	/nfs/dbraw/zinc/23/37/26/521233726.db2.gz	OIRFRZURJKFBJT-SBXHHDGASA-N	0	1	496.560	2.856	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000009375198	521234348	/nfs/dbraw/zinc/23/43/48/521234348.db2.gz	DEIZTHAXQLDCNU-ZHHPLPSFSA-N	0	1	482.533	2.848	50	30		JFEAMN
Oc1ccc(Br)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1	ZINC000004119356	526341642	/nfs/dbraw/zinc/34/16/42/526341642.db2.gz	CNOXGCCSMVYXIU-FYJGNVAPSA-N	0	1	462.352	2.613	50	30		JFEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1	ZINC000009008921	526953122	/nfs/dbraw/zinc/95/31/22/526953122.db2.gz	JGLCZBUGXXSWSQ-WOOAAIBNSA-N	0	1	472.339	2.598	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102897045	536540113	/nfs/dbraw/zinc/54/01/13/536540113.db2.gz	UEFANESRNUJQPH-NHFXJNLRSA-N	0	1	476.526	2.534	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1OC	ZINC000102495326	536563651	/nfs/dbraw/zinc/56/36/51/536563651.db2.gz	NENOGGLEAOMOAS-AYWGPLOBSA-N	0	1	466.534	2.848	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1C	ZINC000102541893	536567428	/nfs/dbraw/zinc/56/74/28/536567428.db2.gz	WODCGEPDVKXTMR-ZHHPLPSFSA-N	0	1	496.560	2.775	50	30		JFEAMN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCN(C)C	ZINC000002489167	554226961	/nfs/dbraw/zinc/22/69/61/554226961.db2.gz	LLPCACGPMKKBSX-HHHXNRCGSA-N	0	1	475.545	2.912	50	30		JFEAMN
C[C@@H]1CN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)C[C@@H](C)O1	ZINC000006576942	554552122	/nfs/dbraw/zinc/55/21/22/554552122.db2.gz	QHNOUQJNDDRBIG-NUJGCVRESA-N	0	1	459.506	2.896	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000008817877	554701139	/nfs/dbraw/zinc/70/11/39/554701139.db2.gz	YYFQTCCHMUHTDM-NRFANRHFSA-N	0	1	497.548	2.735	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008871818	554767590	/nfs/dbraw/zinc/76/75/90/554767590.db2.gz	JQGVRZKOTSRGFM-OAQYLSRUSA-N	0	1	451.479	2.814	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008982073	554847303	/nfs/dbraw/zinc/84/73/03/554847303.db2.gz	CKIBWBMOKDUHGG-JOCHJYFZSA-N	0	1	464.518	2.692	50	30		JFEAMN
COc1ccccc1[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCC1	ZINC000009782502	555503312	/nfs/dbraw/zinc/50/33/12/555503312.db2.gz	PBDPWSJHZHKDDQ-QHCPKHFHSA-N	0	1	496.633	2.921	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000013582074	555520253	/nfs/dbraw/zinc/52/02/53/555520253.db2.gz	XIGXFWSVXLDBSA-QFIPXVFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000019883352	555527596	/nfs/dbraw/zinc/52/75/96/555527596.db2.gz	JWEKEBNLYVMXMM-QFIPXVFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000019883354	555527637	/nfs/dbraw/zinc/52/76/37/555527637.db2.gz	JWEKEBNLYVMXMM-JOCHJYFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000013732054	555604200	/nfs/dbraw/zinc/60/42/00/555604200.db2.gz	LCUUWCOSEOJRRM-NRFANRHFSA-N	0	1	458.486	2.991	50	30		JFEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Cl)c1	ZINC000013732768	555604483	/nfs/dbraw/zinc/60/44/83/555604483.db2.gz	FXDJEOUIRIAFEA-FQEVSTJZSA-N	0	1	458.946	2.601	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(OC)c1OC	ZINC000013734603	555605530	/nfs/dbraw/zinc/60/55/30/555605530.db2.gz	ICLCKRHGRJJVGE-HXUWFJFHSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c(O)c1	ZINC000020309457	555766603	/nfs/dbraw/zinc/76/66/03/555766603.db2.gz	ZMZIJTGTYXBFLV-QFIPXVFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020309883	555767721	/nfs/dbraw/zinc/76/77/21/555767721.db2.gz	UPAYKNSYARTBPB-NRFANRHFSA-N	0	1	452.507	2.936	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOCCO)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000016741355	556156405	/nfs/dbraw/zinc/15/64/05/556156405.db2.gz	OPWTYRFLSNGPLI-JOCHJYFZSA-N	0	1	453.491	2.847	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)C[C@@H]1OC	ZINC000016750516	556157202	/nfs/dbraw/zinc/15/72/02/556157202.db2.gz	NGYYJZPVJRGOGG-VSUDMRMVSA-N	0	1	468.550	2.653	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)C[C@@H]1OC	ZINC000016750516	556157204	/nfs/dbraw/zinc/15/72/04/556157204.db2.gz	NGYYJZPVJRGOGG-VSUDMRMVSA-N	0	1	468.550	2.653	50	30		JFEAMN
Cn1c2nc(NN=Cc3ccc([N+](=O)[O-])cc3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O	ZINC000025783785	556235342	/nfs/dbraw/zinc/23/53/42/556235342.db2.gz	OIQDPOJKYOMAQF-VULFUBBASA-N	0	1	483.488	2.989	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccccc1	ZINC000017207454	556241120	/nfs/dbraw/zinc/24/11/20/556241120.db2.gz	WJDRKGGKOVWVDW-FQEVSTJZSA-N	0	1	458.536	2.552	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000018190418	556300822	/nfs/dbraw/zinc/30/08/22/556300822.db2.gz	MPXOCEKXZSAXJZ-NRFANRHFSA-N	0	1	469.538	2.957	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000018190418	556300826	/nfs/dbraw/zinc/30/08/26/556300826.db2.gz	MPXOCEKXZSAXJZ-NRFANRHFSA-N	0	1	469.538	2.957	50	30		JFEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1	ZINC000013120449	556333229	/nfs/dbraw/zinc/33/32/29/556333229.db2.gz	PGCCGZQSMVNTHW-OAQYLSRUSA-N	0	1	478.530	2.505	50	30		JFEAMN
Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C#N)cc3)cn2C)sc1C(=O)N1CCOCC1	ZINC000065137580	569668551	/nfs/dbraw/zinc/66/85/51/569668551.db2.gz	IXMFGICAQDYFIK-UHFFFAOYSA-N	0	1	471.564	2.602	50	30		JFEAMN
N#Cc1ccc(C(=O)N(CCC(=O)N2CCNCC2)Cc2ccc(Br)cc2)cc1	ZINC000035422101	569692584	/nfs/dbraw/zinc/69/25/84/569692584.db2.gz	VSLDMPWTUUHKBM-UHFFFAOYSA-N	0	1	455.356	2.785	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000101287543	569789513	/nfs/dbraw/zinc/78/95/13/569789513.db2.gz	SBKJWHBHHUDOIC-ZHHPLPSFSA-N	0	1	464.518	2.711	50	30		JFEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000102170287	569810772	/nfs/dbraw/zinc/81/07/72/569810772.db2.gz	XTSQLCQFSAQREF-AYWGPLOBSA-N	0	1	465.550	2.870	50	30		JFEAMN
COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C#N)c2)n(C)c(=O)c(=O)n3C)cc1	ZINC000102512981	569813703	/nfs/dbraw/zinc/81/37/03/569813703.db2.gz	KSOOCMJMTOBYHQ-UHFFFAOYSA-N	0	1	492.513	2.711	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C	ZINC000248037518	570073291	/nfs/dbraw/zinc/07/32/91/570073291.db2.gz	SWTAJAFUZPRWQC-RBBKRZOGSA-N	0	1	456.608	2.894	50	30		JFEAMN
COc1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCN(S(=O)(=O)C(C)C)CC3)C2=O)cc1	ZINC000252506894	570082593	/nfs/dbraw/zinc/08/25/93/570082593.db2.gz	WCTATIJVLKGCDF-HYARGMPZSA-N	0	1	472.563	2.873	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H](O)c3ccc(O)cc3)C1=O)O2	ZINC000253403394	570096847	/nfs/dbraw/zinc/09/68/47/570096847.db2.gz	HDJQLGFFHYCRBY-NGMZNZPNSA-N	0	1	479.485	2.597	50	30	biogenic	JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3c(C)n[nH]c3C)C1=O)O2	ZINC000253414209	570098566	/nfs/dbraw/zinc/09/85/66/570098566.db2.gz	WUDVWBJQILZGKX-JYFCICGUSA-N	0	1	451.479	2.698	50	30	biogenic	JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000102486445	130140769	/nfs/dbraw/zinc/14/07/69/130140769.db2.gz	BSOZPQSAFRCMFA-QZKVPLAPSA-N	0	1	451.475	2.865	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102492606	130147088	/nfs/dbraw/zinc/14/70/88/130147088.db2.gz	AYTYYRXAHKAIDM-SBXHHDGASA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102508094	130162627	/nfs/dbraw/zinc/16/26/27/130162627.db2.gz	AFPKBMRDGYCEBS-OBVHCKHUSA-N	0	1	478.549	2.952	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000102516966	130169945	/nfs/dbraw/zinc/16/99/45/130169945.db2.gz	YHHYUJMSYZXNJV-HOGKFDNTSA-N	0	1	470.497	2.597	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000102541146	130196974	/nfs/dbraw/zinc/19/69/74/130196974.db2.gz	AWWBPJQEQFUSOF-OBVHCKHUSA-N	0	1	464.522	2.643	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCN(C)C)c1OC	ZINC000102541146	130196978	/nfs/dbraw/zinc/19/69/78/130196978.db2.gz	AWWBPJQEQFUSOF-OBVHCKHUSA-N	0	1	464.522	2.643	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102693203	130240327	/nfs/dbraw/zinc/24/03/27/130240327.db2.gz	CMIJIHGLRKAHRK-AYWGPLOBSA-N	0	1	466.534	2.848	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000102700009	130246039	/nfs/dbraw/zinc/24/60/39/130246039.db2.gz	AIOCNYOQJVVAJT-BCTIHFFESA-N	0	1	489.933	2.735	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102741240	130285478	/nfs/dbraw/zinc/28/54/78/130285478.db2.gz	JQOVCKXQUMWJBE-YDJIHCHBSA-N	0	1	456.470	2.604	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102746361	130287344	/nfs/dbraw/zinc/28/73/44/130287344.db2.gz	RCQDMNBXOZPZCU-JBCNATCCSA-N	0	1	458.486	2.835	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c1C	ZINC000102859133	130329453	/nfs/dbraw/zinc/32/94/53/130329453.db2.gz	NHSALAGZYPZRDI-ASBZNUFUSA-N	0	1	457.502	2.931	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1C	ZINC000102872200	130343709	/nfs/dbraw/zinc/34/37/09/130343709.db2.gz	JUHRSVTWLABTCS-IAMBOQNYSA-N	0	1	499.539	2.701	50	30		JFEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102889773	130371139	/nfs/dbraw/zinc/37/11/39/130371139.db2.gz	OLWOJMKZZIIHML-NXLSWJSLSA-N	0	1	494.544	2.610	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCNC(C)=O)c(OC)c1	ZINC000102890610	130372159	/nfs/dbraw/zinc/37/21/59/130372159.db2.gz	CMNPLEJQTGOPLE-NHFXJNLRSA-N	0	1	458.898	2.915	50	30		JFEAMN
C#CCOC[C@H](O)CN(Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C1CCCCC1	ZINC000036207249	518312061	/nfs/dbraw/zinc/31/20/61/518312061.db2.gz	CHJKPLYMMUQTCR-QGZVFWFLSA-N	0	1	461.584	2.615	50	30		JFEAMN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC[C@H]3CCCO3)c(=O)c2c1	ZINC000009495290	518819662	/nfs/dbraw/zinc/81/96/62/518819662.db2.gz	VQDAQZJZQGXLKP-GOSISDBHSA-N	0	1	467.547	2.818	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020392273	519020083	/nfs/dbraw/zinc/02/00/83/519020083.db2.gz	AIAMXUHFBRKOTP-XMMPIXPASA-N	0	1	494.544	2.876	50	30		JFEAMN
CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1	ZINC000016154840	521529519	/nfs/dbraw/zinc/52/95/19/521529519.db2.gz	MRCNGDZDLBSBMS-UHFFFAOYSA-N	0	1	479.580	2.915	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009349789	522164676	/nfs/dbraw/zinc/16/46/76/522164676.db2.gz	JIBHJOMOJZPCPA-IVZQSRNASA-N	0	1	464.518	2.937	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000009241412	522918281	/nfs/dbraw/zinc/91/82/81/522918281.db2.gz	SZDKIYQSQUKPMN-GOSISDBHSA-N	0	1	475.567	2.926	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2	ZINC000085413535	522918765	/nfs/dbraw/zinc/91/87/65/522918765.db2.gz	MMLOHFQJHJPPCS-JOCHJYFZSA-N	0	1	494.500	2.827	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O	ZINC000016735142	522918960	/nfs/dbraw/zinc/91/89/60/522918960.db2.gz	XFKCRSJLXCXBQI-OPAMFIHVSA-N	0	1	467.474	2.929	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)ccc1O	ZINC000016735139	522953755	/nfs/dbraw/zinc/95/37/55/522953755.db2.gz	XFKCRSJLXCXBQI-ZHRRBRCNSA-N	0	1	467.474	2.929	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000009241410	522957018	/nfs/dbraw/zinc/95/70/18/522957018.db2.gz	SZDKIYQSQUKPMN-SFHVURJKSA-N	0	1	475.567	2.926	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C)cc1	ZINC000009308437	523283722	/nfs/dbraw/zinc/28/37/22/523283722.db2.gz	SEZKCOFGSMJJHB-OAQYLSRUSA-N	0	1	472.563	2.860	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009339980	523373501	/nfs/dbraw/zinc/37/35/01/523373501.db2.gz	BLKJMXXWCUHUDW-NHFXJNLRSA-N	0	1	455.467	2.595	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000016730907	523557912	/nfs/dbraw/zinc/55/79/12/523557912.db2.gz	DAYUULMYUUUQKQ-HXUWFJFHSA-N	0	1	455.467	2.752	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000009271967	523559759	/nfs/dbraw/zinc/55/97/59/523559759.db2.gz	IMOGXXVBFAMWKO-QFIPXVFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000017196864	525390665	/nfs/dbraw/zinc/39/06/65/525390665.db2.gz	CETJHPDEKHSOBQ-OSPHWJPCSA-N	0	1	478.545	2.929	50	30		JFEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1ccc(Br)cc1	ZINC000009471190	526267759	/nfs/dbraw/zinc/26/77/59/526267759.db2.gz	RJKBLUFKGGQEEH-GOSISDBHSA-N	0	1	491.294	2.945	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1	ZINC000009160305	527175521	/nfs/dbraw/zinc/17/55/21/527175521.db2.gz	FTGHGMHZKLUYHG-HSZRJFAPSA-N	0	1	460.534	2.943	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1	ZINC000102369129	534968207	/nfs/dbraw/zinc/96/82/07/534968207.db2.gz	FNFWSNUIHCKNNI-MOBKVPTQSA-N	0	1	451.523	2.623	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1	ZINC000102369162	534968847	/nfs/dbraw/zinc/96/88/47/534968847.db2.gz	ZWCHLDNOQDBQAO-HOGKFDNTSA-N	0	1	451.523	2.623	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(N(C)C)cc1	ZINC000102887947	536539559	/nfs/dbraw/zinc/53/95/59/536539559.db2.gz	NCGQEEQNNXGZDR-MOBKVPTQSA-N	0	1	452.507	2.982	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(F)cc1	ZINC000102897048	536539662	/nfs/dbraw/zinc/53/96/62/536539662.db2.gz	UEFANESRNUJQPH-YDJIHCHBSA-N	0	1	476.526	2.534	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1OC	ZINC000102495334	536562988	/nfs/dbraw/zinc/56/29/88/536562988.db2.gz	NENOGGLEAOMOAS-ZHHPLPSFSA-N	0	1	466.534	2.848	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000102877038	536566786	/nfs/dbraw/zinc/56/67/86/536566786.db2.gz	WTXDZPJONNSVEH-SBXHHDGASA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000102507998	536567172	/nfs/dbraw/zinc/56/71/72/536567172.db2.gz	YSMNIWDXTPLJFZ-NXLSWJSLSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102528548	536568000	/nfs/dbraw/zinc/56/80/00/536568000.db2.gz	JSYGTPBVTGBPKL-HOGKFDNTSA-N	0	1	481.505	2.666	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000102707351	536885068	/nfs/dbraw/zinc/88/50/68/536885068.db2.gz	JVKBZKZTGHIJDY-NHFXJNLRSA-N	0	1	458.486	2.835	50	30		JFEAMN
Cc1cccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)c1	ZINC000002177521	554077886	/nfs/dbraw/zinc/07/78/86/554077886.db2.gz	WDKFTCRFTLQEFF-LDADJPATSA-N	0	1	472.548	2.935	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008817269	554699756	/nfs/dbraw/zinc/69/97/56/554699756.db2.gz	IWXZKGJOGOFHJM-NRFANRHFSA-N	0	1	451.479	2.814	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(F)c1	ZINC000008826923	554716810	/nfs/dbraw/zinc/71/68/10/554716810.db2.gz	GKWWWIRTTOQPAF-QFIPXVFZSA-N	0	1	464.497	2.692	50	30		JFEAMN
CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc(OC)cc2)CC1	ZINC000008836129	554735925	/nfs/dbraw/zinc/73/59/25/554735925.db2.gz	OQKBGPGOXYNZOM-HXUWFJFHSA-N	0	1	488.548	2.840	50	30		JFEAMN
O=[N+]([O-])c1cccc(Nc2nc(N=NCc3ccccc3[N+](=O)[O-])nc(N3CCOCC3)n2)c1	ZINC000008872924	554769733	/nfs/dbraw/zinc/76/97/33/554769733.db2.gz	AMHDOKIGBDGPST-FYJGNVAPSA-N	0	1	465.430	2.714	50	30		JFEAMN
Cc1ccc(S(=O)(=O)[N-]C(=O)NCCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000019834515	555506380	/nfs/dbraw/zinc/50/63/80/555506380.db2.gz	MVPSCRWUVLRKEJ-UHFFFAOYSA-N	0	1	454.593	2.520	50	30		JFEAMN
Cc1ccc(S(=O)([O-])=NC(=O)NCCC[N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000019834515	555506381	/nfs/dbraw/zinc/50/63/81/555506381.db2.gz	MVPSCRWUVLRKEJ-UHFFFAOYSA-N	0	1	454.593	2.520	50	30		JFEAMN
Cc1ccc(S(=O)([O-])=NC(=O)NCCC[N@H+]2CCCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000019834515	555506382	/nfs/dbraw/zinc/50/63/82/555506382.db2.gz	MVPSCRWUVLRKEJ-UHFFFAOYSA-N	0	1	454.593	2.520	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000019958284	555572056	/nfs/dbraw/zinc/57/20/56/555572056.db2.gz	ROTCFIAJXRVCOZ-NRFANRHFSA-N	0	1	470.497	2.753	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c(C)n1	ZINC000013731394	555603822	/nfs/dbraw/zinc/60/38/22/555603822.db2.gz	PJOMGVMCPYOQIG-HXUWFJFHSA-N	0	1	456.930	2.657	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013735146	555605824	/nfs/dbraw/zinc/60/58/24/555605824.db2.gz	YQBYEAYHQSKTSR-FQEVSTJZSA-N	0	1	456.470	2.761	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000020101922	555634373	/nfs/dbraw/zinc/63/43/73/555634373.db2.gz	OYKLSLXIBPXITK-JOCHJYFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1OC	ZINC000020135151	555659613	/nfs/dbraw/zinc/65/96/13/555659613.db2.gz	WNOMBIQFUNOTSO-HSZRJFAPSA-N	0	1	466.534	2.923	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000020219249	555713468	/nfs/dbraw/zinc/71/34/68/555713468.db2.gz	AHJVAVZOSVJQFD-NRFANRHFSA-N	0	1	468.506	2.615	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000020219521	555714801	/nfs/dbraw/zinc/71/48/01/555714801.db2.gz	KRUOMURMDFXXER-QFIPXVFZSA-N	0	1	452.507	2.996	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c(O)c1	ZINC000020309434	555766523	/nfs/dbraw/zinc/76/65/23/555766523.db2.gz	LMHRNXIQTUFREU-JOCHJYFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(C)c(C)cc3[O-])=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020309887	555767603	/nfs/dbraw/zinc/76/76/03/555767603.db2.gz	UPAYKNSYARTBPB-OAQYLSRUSA-N	0	1	452.507	2.936	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)c(O)c1	ZINC000020310110	555768150	/nfs/dbraw/zinc/76/81/50/555768150.db2.gz	GJGUNXGACMIOCF-QFIPXVFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCN(C)C	ZINC000024192905	556125727	/nfs/dbraw/zinc/12/57/27/556125727.db2.gz	IJXWEBCOHARXLO-SANMLTNESA-N	0	1	463.509	2.961	50	30		JFEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000024192916	556125754	/nfs/dbraw/zinc/12/57/54/556125754.db2.gz	WNGGARPSXUOAMH-HSZRJFAPSA-N	0	1	464.518	2.677	50	30		JFEAMN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193194	556126374	/nfs/dbraw/zinc/12/63/74/556126374.db2.gz	FWNRLNJWCCOKJC-OQRWROFFSA-N	0	1	475.545	2.671	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000017194605	556237606	/nfs/dbraw/zinc/23/76/06/556237606.db2.gz	LCAGOOOXYJFEAV-QHCPKHFHSA-N	0	1	482.533	2.628	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccs2)c1C	ZINC000008667099	562948991	/nfs/dbraw/zinc/94/89/91/562948991.db2.gz	FAOKHGSNHKKQIK-HXUWFJFHSA-N	0	1	487.578	2.780	50	30		JFEAMN
CCOc1cc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O	ZINC000095201985	569722078	/nfs/dbraw/zinc/72/20/78/569722078.db2.gz	SGGGOYSWCPRGFX-FQEVSTJZSA-N	0	1	457.483	2.526	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C21	ZINC000100910819	569775229	/nfs/dbraw/zinc/77/52/29/569775229.db2.gz	AJSNFODMFXEQAY-FCEWJHQRSA-N	0	1	498.413	2.679	50	30		JFEAMN
CCOc1cc([N+](=O)[O-])cc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCOCC3)n2)c1O	ZINC000036478553	569776239	/nfs/dbraw/zinc/77/62/39/569776239.db2.gz	QDCKFUYTFCXWTA-OEAKJJBVSA-N	0	1	480.485	2.910	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F	ZINC000102874646	569826183	/nfs/dbraw/zinc/82/61/83/569826183.db2.gz	IBKQUMKQWSQHAH-HFEWCJDKSA-N	0	1	464.497	2.536	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2)cc1	ZINC000102931515	569828387	/nfs/dbraw/zinc/82/83/87/569828387.db2.gz	ZENVHSCHFVEFNO-ZHHPLPSFSA-N	0	1	466.534	2.848	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000104243895	569844023	/nfs/dbraw/zinc/84/40/23/569844023.db2.gz	UXWVDTSMEKILPX-AYWGPLOBSA-N	0	1	484.524	2.987	50	30		JFEAMN
COc1ccc(-n2c(O)c(C=Nc3ccccc3I)c(=O)[nH]c2=O)cc1	ZINC000104980633	569847750	/nfs/dbraw/zinc/84/77/50/569847750.db2.gz	VLGFRSDMDPDAEJ-KEBDBYFISA-N	0	1	463.231	2.595	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000102502010	130155953	/nfs/dbraw/zinc/15/59/53/130155953.db2.gz	DGTNMSNVDNLVDS-QOJBNDRUSA-N	0	1	484.509	2.700	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102502302	130156200	/nfs/dbraw/zinc/15/62/00/130156200.db2.gz	UWVGNFYCDIEPQY-ASBZNUFUSA-N	0	1	463.494	2.843	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102502310	130156400	/nfs/dbraw/zinc/15/64/00/130156400.db2.gz	UWVGNFYCDIEPQY-QOJBNDRUSA-N	0	1	463.494	2.843	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000102505802	130160056	/nfs/dbraw/zinc/16/00/56/130160056.db2.gz	JGOLXXNHDBVHEL-ASBZNUFUSA-N	0	1	484.509	2.700	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000102540146	130195175	/nfs/dbraw/zinc/19/51/75/130195175.db2.gz	BPTIFTFNBWTFCS-SBXHHDGASA-N	0	1	496.560	2.856	50	30		JFEAMN
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000102556942	130206217	/nfs/dbraw/zinc/20/62/17/130206217.db2.gz	IAWPXPJCELJACP-BAXPTACRSA-N	0	1	488.493	2.875	50	30		JFEAMN
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000102556945	130206231	/nfs/dbraw/zinc/20/62/31/130206231.db2.gz	IAWPXPJCELJACP-JPJOULJCSA-N	0	1	488.493	2.875	50	30		JFEAMN
CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102576580	130215480	/nfs/dbraw/zinc/21/54/80/130215480.db2.gz	XUFQRJXAHGUNKV-HOGKFDNTSA-N	0	1	452.507	2.840	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000102697816	130244538	/nfs/dbraw/zinc/24/45/38/130244538.db2.gz	SAEGWDCMMSUFDJ-MOBKVPTQSA-N	0	1	466.534	2.766	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000102741304	130285469	/nfs/dbraw/zinc/28/54/69/130285469.db2.gz	KHXMVABTPYCJFA-JBCNATCCSA-N	0	1	458.461	2.727	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102748737	130289093	/nfs/dbraw/zinc/28/90/93/130289093.db2.gz	NGISWSCUEBKTQR-JBCNATCCSA-N	0	1	458.486	2.835	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c1C	ZINC000102872197	130343678	/nfs/dbraw/zinc/34/36/78/130343678.db2.gz	JUHRSVTWLABTCS-HFEWCJDKSA-N	0	1	499.539	2.701	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(Br)cc1	ZINC000102886665	130367792	/nfs/dbraw/zinc/36/77/92/130367792.db2.gz	LGDXNJMLRPXVPL-GHNGSUTGSA-N	0	1	491.294	2.788	50	30		JFEAMN
C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC	ZINC000036309342	518307147	/nfs/dbraw/zinc/30/71/47/518307147.db2.gz	HJQCCYCREDXKRN-IRLDBZIGSA-N	0	1	486.634	2.984	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000009270993	521360204	/nfs/dbraw/zinc/36/02/04/521360204.db2.gz	AMVFWWPJKKJWGJ-NRFANRHFSA-N	0	1	469.538	2.957	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)ccc1O	ZINC000016735132	522955341	/nfs/dbraw/zinc/95/53/41/522955341.db2.gz	XFKCRSJLXCXBQI-AOMKIAJQSA-N	0	1	467.474	2.929	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1C	ZINC000009019454	523559086	/nfs/dbraw/zinc/55/90/86/523559086.db2.gz	UKKVONXGPIMCGS-HSZRJFAPSA-N	0	1	496.560	2.931	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000017146769	523560108	/nfs/dbraw/zinc/56/01/08/523560108.db2.gz	LJNTYLIPYXELHD-DEOSSOPVSA-N	0	1	496.560	2.931	50	30		JFEAMN
CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000016750624	524052652	/nfs/dbraw/zinc/05/26/52/524052652.db2.gz	MUQRUAHXVSSCBA-DEOSSOPVSA-N	0	1	478.545	2.931	50	30		JFEAMN
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1	ZINC000009715751	524647179	/nfs/dbraw/zinc/64/71/79/524647179.db2.gz	YRFFFTBNEMMFOX-JOCHJYFZSA-N	0	1	459.524	2.707	50	30		JFEAMN
O=C(c1ccc([N+](=O)[O-])cc1)C1C(=O)C(=O)N(CCOCCO)[C@@H]1c1cccc(Br)c1	ZINC000009424659	526267753	/nfs/dbraw/zinc/26/77/53/526267753.db2.gz	PZBSODOLSRSILR-GOSISDBHSA-N	0	1	491.294	2.945	50	30		JFEAMN
O=S(=O)(N=C(N=c1[nH]c2ccccc2o1)NS(=O)(=O)c1ccccc1)c1ccccc1	ZINC000033446354	527159578	/nfs/dbraw/zinc/15/95/78/527159578.db2.gz	BUYCSGAGVFYDAZ-UHFFFAOYSA-N	0	1	456.505	2.963	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000102369290	534967699	/nfs/dbraw/zinc/96/76/99/534967699.db2.gz	CRSBYKSUXHUMFA-MOBKVPTQSA-N	0	1	451.523	2.623	50	30		JFEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102520020	535687704	/nfs/dbraw/zinc/68/77/04/535687704.db2.gz	QEEMZBZIZGDVEL-SBXHHDGASA-N	0	1	496.560	2.862	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)cc1	ZINC000102703244	536562824	/nfs/dbraw/zinc/56/28/24/536562824.db2.gz	HYLYPZWNTHMNOH-AYWGPLOBSA-N	0	1	466.534	2.848	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	ZINC000102719921	536854155	/nfs/dbraw/zinc/85/41/55/536854155.db2.gz	GJFYFABKMIHKQH-YDJIHCHBSA-N	0	1	457.479	2.789	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102715064	536884004	/nfs/dbraw/zinc/88/40/04/536884004.db2.gz	IQKVFLUKOGPZSQ-NXLSWJSLSA-N	0	1	496.560	2.942	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008383632	554566931	/nfs/dbraw/zinc/56/69/31/554566931.db2.gz	XSHAVHKNOQAGOS-DEOSSOPVSA-N	0	1	494.544	2.767	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1	ZINC000008744016	554646987	/nfs/dbraw/zinc/64/69/87/554646987.db2.gz	LNFMMCDZUFREKO-QFIPXVFZSA-N	0	1	451.523	2.781	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)c1C	ZINC000008837982	554739324	/nfs/dbraw/zinc/73/93/24/554739324.db2.gz	FOHRWMABDPFMRN-FQEVSTJZSA-N	0	1	455.511	2.567	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)cc1OC	ZINC000008859883	554756383	/nfs/dbraw/zinc/75/63/83/554756383.db2.gz	TUFBVQCVAOOURV-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008905326	554799664	/nfs/dbraw/zinc/79/96/64/554799664.db2.gz	HHYXBGHIIYOQJE-ZHHPLPSFSA-N	0	1	490.512	2.973	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000008913854	554806816	/nfs/dbraw/zinc/80/68/16/554806816.db2.gz	YMQRUWZDDSORAH-MRJHHRETSA-N	0	1	470.497	2.597	50	30		JFEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(CCc3ccccc3)c2c(=O)[nH]c1=O	ZINC000008926170	554822494	/nfs/dbraw/zinc/82/24/94/554822494.db2.gz	DVYRPIFNZKAWCR-FSJBWODESA-N	0	1	483.326	2.580	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	ZINC000008987958	554850430	/nfs/dbraw/zinc/85/04/30/554850430.db2.gz	APEMUQOQONXZRT-FQEVSTJZSA-N	0	1	484.509	2.856	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000013426783	555399949	/nfs/dbraw/zinc/39/99/49/555399949.db2.gz	VSNAQXNYCSVCFB-QFIPXVFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(F)c2)cc1F	ZINC000013683252	555576812	/nfs/dbraw/zinc/57/68/12/555576812.db2.gz	UPFHNAYNBWLOHD-NRFANRHFSA-N	0	1	458.461	2.884	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1F	ZINC000013683247	555576859	/nfs/dbraw/zinc/57/68/59/555576859.db2.gz	UPFHNAYNBWLOHD-OAQYLSRUSA-N	0	1	458.461	2.884	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c(OC)c1	ZINC000013690377	555584208	/nfs/dbraw/zinc/58/42/08/555584208.db2.gz	ACGCOSAHHXIZTB-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1F	ZINC000013732407	555604449	/nfs/dbraw/zinc/60/44/49/555604449.db2.gz	ZQYDFRKTESAUFX-NRFANRHFSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000020057684	555620638	/nfs/dbraw/zinc/62/06/38/555620638.db2.gz	DBBYEZDBQVNJPP-NRFANRHFSA-N	0	1	470.522	2.861	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1OC	ZINC000020135154	555659680	/nfs/dbraw/zinc/65/96/80/555659680.db2.gz	WNOMBIQFUNOTSO-QHCPKHFHSA-N	0	1	466.534	2.923	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020218902	555712851	/nfs/dbraw/zinc/71/28/51/555712851.db2.gz	WBGGXSFEZDUWQY-PRSVDJLGSA-N	0	1	482.533	2.997	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000020231839	555721741	/nfs/dbraw/zinc/72/17/41/555721741.db2.gz	WJXCQBCTLXXPLS-JOCHJYFZSA-N	0	1	498.532	2.624	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c(O)c1	ZINC000020309455	555766572	/nfs/dbraw/zinc/76/65/72/555766572.db2.gz	ZMZIJTGTYXBFLV-JOCHJYFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000012576644	556075945	/nfs/dbraw/zinc/07/59/45/556075945.db2.gz	RQKORJZYZFHFMV-HXUWFJFHSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000012757905	556108500	/nfs/dbraw/zinc/10/85/00/556108500.db2.gz	JRKOSYSTZIJHAG-OAQYLSRUSA-N	0	1	470.522	2.861	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1	ZINC000012776172	556111205	/nfs/dbraw/zinc/11/12/05/556111205.db2.gz	XEXWYEGLQDIGGK-JOCHJYFZSA-N	0	1	451.523	2.779	50	30		JFEAMN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCN(C)C	ZINC000024192904	556125774	/nfs/dbraw/zinc/12/57/74/556125774.db2.gz	LYUQAXBKQUETBN-VWLOTQADSA-N	0	1	451.498	2.795	50	30		JFEAMN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCN(C)C	ZINC000024193196	556126385	/nfs/dbraw/zinc/12/63/85/556126385.db2.gz	FWNRLNJWCCOKJC-JWIGPWBQSA-N	0	1	475.545	2.671	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000016741478	556156568	/nfs/dbraw/zinc/15/65/68/556156568.db2.gz	GQZRWKRXVHARGV-JOCHJYFZSA-N	0	1	469.490	2.553	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(O)c2)cc1	ZINC000017058665	556214759	/nfs/dbraw/zinc/21/47/59/556214759.db2.gz	CRMCNWWBFKISEE-OAQYLSRUSA-N	0	1	488.562	2.647	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000018101440	556288128	/nfs/dbraw/zinc/28/81/28/556288128.db2.gz	MYPFYLNGLKHMFN-JOCHJYFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1	ZINC000013120450	556333110	/nfs/dbraw/zinc/33/31/10/556333110.db2.gz	PGCCGZQSMVNTHW-NRFANRHFSA-N	0	1	478.530	2.505	50	30		JFEAMN
Cn1c2nc(NN=Cc3cccs3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O	ZINC000008682469	562951434	/nfs/dbraw/zinc/95/14/34/562951434.db2.gz	HXJQHCKHKPZXKV-UFFVCSGVSA-N	0	1	473.356	2.752	50	30		JFEAMN
Cc1cccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)c1	ZINC000035241488	563119397	/nfs/dbraw/zinc/11/93/97/563119397.db2.gz	WDKFTCRFTLQEFF-PDGQHHTCSA-N	0	1	472.548	2.935	50	30		JFEAMN
COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc4c(c3)OCO4)cc2)nc(OC)n1	ZINC000008716729	569596545	/nfs/dbraw/zinc/59/65/45/569596545.db2.gz	CKQYYYHWWAFTPA-MDZDMXLPSA-N	0	1	484.490	2.832	50	30		JFEAMN
C=CCC[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1	ZINC000034677796	569642136	/nfs/dbraw/zinc/64/21/36/569642136.db2.gz	WZHYOKGNCYTJEV-HSZRJFAPSA-N	0	1	481.641	2.644	50	30		JFEAMN
O=C(C1=C(O)C(=O)N(CCN2CCCC2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	ZINC000096335853	569740321	/nfs/dbraw/zinc/74/03/21/569740321.db2.gz	YYOSZJYQYHKGEW-HSZRJFAPSA-N	0	1	478.501	2.861	50	30		JFEAMN
O=C(C1=C(O)C(=O)N(CCN2CCCC2)[C@H]1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2	ZINC000096335854	569740338	/nfs/dbraw/zinc/74/03/38/569740338.db2.gz	YYOSZJYQYHKGEW-QHCPKHFHSA-N	0	1	478.501	2.861	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21	ZINC000100910828	569775421	/nfs/dbraw/zinc/77/54/21/569775421.db2.gz	XQLGFDHONDELJD-FRQCXROJSA-N	0	1	499.306	2.967	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21	ZINC000100910828	569775423	/nfs/dbraw/zinc/77/54/23/569775423.db2.gz	XQLGFDHONDELJD-FRQCXROJSA-N	0	1	499.306	2.967	50	30		JFEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000102170294	569810742	/nfs/dbraw/zinc/81/07/42/569810742.db2.gz	XTSQLCQFSAQREF-ZHHPLPSFSA-N	0	1	465.550	2.870	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F	ZINC000102874648	569826211	/nfs/dbraw/zinc/82/62/11/569826211.db2.gz	IBKQUMKQWSQHAH-IAMBOQNYSA-N	0	1	464.497	2.536	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000102928904	569827461	/nfs/dbraw/zinc/82/74/61/569827461.db2.gz	NXEQTSPBFCQYLD-MOBKVPTQSA-N	0	1	454.498	2.897	50	30		JFEAMN
COc1ccc(-n2c(O)c(C=Nc3ccc(I)c(C)c3)c(=O)[nH]c2=O)cc1	ZINC000104980640	569847806	/nfs/dbraw/zinc/84/78/06/569847806.db2.gz	IXRZYFKLEWPURY-UFFVCSGVSA-N	0	1	477.258	2.904	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C1CC1	ZINC000105002626	569849165	/nfs/dbraw/zinc/84/91/65/569849165.db2.gz	HQVAZNYXVKROPA-YKSBVNFPSA-N	0	1	484.618	2.737	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21	ZINC000106336476	569854041	/nfs/dbraw/zinc/85/40/41/569854041.db2.gz	XQLGFDHONDELJD-JTDSTZFVSA-N	0	1	499.306	2.967	50	30		JFEAMN
C#CCOC[C@H](O)CN(CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC	ZINC000245279537	570061596	/nfs/dbraw/zinc/06/15/96/570061596.db2.gz	HJQCCYCREDXKRN-IFMALSPDSA-N	0	1	486.634	2.984	50	30		JFEAMN
C#CCOC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1	ZINC000245325675	570064561	/nfs/dbraw/zinc/06/45/61/570064561.db2.gz	BXZMNULLCJETOR-ZJSXRUAMSA-N	0	1	486.634	2.602	50	30		JFEAMN
C=CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327994	570065492	/nfs/dbraw/zinc/06/54/92/570065492.db2.gz	MJDJVXCBSMMMBU-FCHUYYIVSA-N	0	1	457.571	2.723	50	30		JFEAMN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327994	570065493	/nfs/dbraw/zinc/06/54/93/570065493.db2.gz	MJDJVXCBSMMMBU-FCHUYYIVSA-N	0	1	457.571	2.723	50	30		JFEAMN
C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000253377529	570095242	/nfs/dbraw/zinc/09/52/42/570095242.db2.gz	XJHKJEXWAYXENS-WOJBJXKFSA-N	0	1	475.561	2.862	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102483997	130137980	/nfs/dbraw/zinc/13/79/80/130137980.db2.gz	DLJWMTGFCLXRMN-JBCNATCCSA-N	0	1	451.479	2.657	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102528949	130182364	/nfs/dbraw/zinc/18/23/64/130182364.db2.gz	NDNSHLLXOLGHRU-HOGKFDNTSA-N	0	1	470.497	2.597	50	30		JFEAMN
COc1ccccc1[C@H]1C(C(=O)c2c(C)nc3ccccn32)C(=O)C(=O)N1CCCN1CCOCC1	ZINC000102532032	130185822	/nfs/dbraw/zinc/18/58/22/130185822.db2.gz	DZAJVTZIOGQTPO-UVDRRRQGSA-N	0	1	490.560	2.795	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C	ZINC000102533223	130186913	/nfs/dbraw/zinc/18/69/13/130186913.db2.gz	IXVLTKJHACHZJC-IAMBOQNYSA-N	0	1	499.539	2.701	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1C	ZINC000102533217	130186971	/nfs/dbraw/zinc/18/69/71/130186971.db2.gz	IXVLTKJHACHZJC-HFEWCJDKSA-N	0	1	499.539	2.701	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102553945	130204668	/nfs/dbraw/zinc/20/46/68/130204668.db2.gz	QCDIWFKITDXXJT-NYSCORLISA-N	0	1	464.518	2.780	50	30		JFEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102576587	130215529	/nfs/dbraw/zinc/21/55/29/130215529.db2.gz	XUFQRJXAHGUNKV-MOBKVPTQSA-N	0	1	452.507	2.840	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)cc1	ZINC000102691469	130238666	/nfs/dbraw/zinc/23/86/66/130238666.db2.gz	ODXXSGSRQYTCIG-HOGKFDNTSA-N	0	1	451.523	2.624	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102715067	130261330	/nfs/dbraw/zinc/26/13/30/130261330.db2.gz	IQKVFLUKOGPZSQ-SBXHHDGASA-N	0	1	496.560	2.942	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)cc1	ZINC000102717794	130264129	/nfs/dbraw/zinc/26/41/29/130264129.db2.gz	KRMQDFQMHFXXGS-MRJHHRETSA-N	0	1	490.553	2.924	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c(C)n1	ZINC000102747153	130287932	/nfs/dbraw/zinc/28/79/32/130287932.db2.gz	MTTHNNIOCQGJJG-NHFXJNLRSA-N	0	1	456.930	2.501	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c(C)n1	ZINC000102747158	130288036	/nfs/dbraw/zinc/28/80/36/130288036.db2.gz	MTTHNNIOCQGJJG-YDJIHCHBSA-N	0	1	456.930	2.501	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102889256	130370438	/nfs/dbraw/zinc/37/04/38/130370438.db2.gz	VUQIEPMWTYMZIW-HOGKFDNTSA-N	0	1	471.506	2.533	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(O)c1	ZINC000102893168	130375407	/nfs/dbraw/zinc/37/54/07/130375407.db2.gz	XPCNZZYEWKMNIX-MOBKVPTQSA-N	0	1	461.474	2.872	50	30		JFEAMN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC[C@@H]3CCCO3)c(=O)c2c1	ZINC000009495287	518818748	/nfs/dbraw/zinc/81/87/48/518818748.db2.gz	VQDAQZJZQGXLKP-SFHVURJKSA-N	0	1	467.547	2.818	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009424339	520878728	/nfs/dbraw/zinc/87/87/28/520878728.db2.gz	XQGVZWBXZHJTEE-FQEVSTJZSA-N	0	1	456.451	2.581	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009454703	520879098	/nfs/dbraw/zinc/87/90/98/520879098.db2.gz	HWRVTMNZDUIVFW-FQEVSTJZSA-N	0	1	456.451	2.581	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009424442	521267866	/nfs/dbraw/zinc/26/78/66/521267866.db2.gz	XGBLESZSVNAQIY-FQEVSTJZSA-N	0	1	456.451	2.581	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009235167	521360114	/nfs/dbraw/zinc/36/01/14/521360114.db2.gz	RFKKYFDYZBTEKG-QFIPXVFZSA-N	0	1	499.564	2.965	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	ZINC000009271468	521361288	/nfs/dbraw/zinc/36/12/88/521361288.db2.gz	XPIMJSXZQPAZBZ-FQEVSTJZSA-N	0	1	484.509	2.856	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(N(C)C)cc1	ZINC000020547315	521754797	/nfs/dbraw/zinc/75/47/97/521754797.db2.gz	RVPPQVXFCBSTSL-JOCHJYFZSA-N	0	1	451.523	2.664	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2)cc1	ZINC000009019277	523559924	/nfs/dbraw/zinc/55/99/24/523559924.db2.gz	CAYWNHZNMQZFKW-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)c1C	ZINC000004039871	524021592	/nfs/dbraw/zinc/02/15/92/524021592.db2.gz	UBUINVOZDRIFFQ-FQEVSTJZSA-N	0	1	455.511	2.567	50	30		JFEAMN
CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000016750627	524034067	/nfs/dbraw/zinc/03/40/67/524034067.db2.gz	MUQRUAHXVSSCBA-XMMPIXPASA-N	0	1	478.545	2.931	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1	ZINC000102369132	534968688	/nfs/dbraw/zinc/96/86/88/534968688.db2.gz	FNFWSNUIHCKNNI-HOGKFDNTSA-N	0	1	451.523	2.623	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102879884	535417278	/nfs/dbraw/zinc/41/72/78/535417278.db2.gz	WNDNJOWESGSPTI-OBVHCKHUSA-N	0	1	469.538	2.800	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c(C)c1	ZINC000102508006	536565104	/nfs/dbraw/zinc/56/51/04/536565104.db2.gz	YSMNIWDXTPLJFZ-SBXHHDGASA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102528542	536567777	/nfs/dbraw/zinc/56/77/77/536567777.db2.gz	JSYGTPBVTGBPKL-MOBKVPTQSA-N	0	1	481.505	2.666	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000102618365	536884773	/nfs/dbraw/zinc/88/47/73/536884773.db2.gz	WADWNCDMBXDLMV-MOBKVPTQSA-N	0	1	470.497	2.684	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000102723821	536885123	/nfs/dbraw/zinc/88/51/23/536885123.db2.gz	SWAZWWZPPOGMHM-AYWGPLOBSA-N	0	1	496.560	2.775	50	30		JFEAMN
COc1c(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCOCC3)n2)cccc1[N+](=O)[O-]	ZINC000001029826	553900750	/nfs/dbraw/zinc/90/07/50/553900750.db2.gz	BCXMWLXODHNMRA-HYARGMPZSA-N	0	1	450.459	2.815	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(O)c3)ccc2O1	ZINC000006498603	554546714	/nfs/dbraw/zinc/54/67/14/554546714.db2.gz	BHGDTCPANWBITB-QMHKHESXSA-N	0	1	464.518	2.626	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008383629	554566953	/nfs/dbraw/zinc/56/69/53/554566953.db2.gz	XSHAVHKNOQAGOS-XMMPIXPASA-N	0	1	494.544	2.767	50	30		JFEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000008738428	554640183	/nfs/dbraw/zinc/64/01/83/554640183.db2.gz	JVKBZKZTGHIJDY-YDJIHCHBSA-N	0	1	458.486	2.835	50	30		JFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000008743408	554646197	/nfs/dbraw/zinc/64/61/97/554646197.db2.gz	FZYVKSADJBXFPL-MRJHHRETSA-N	0	1	470.522	2.704	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000008779378	554676815	/nfs/dbraw/zinc/67/68/15/554676815.db2.gz	RHVFJTDPTSBPMY-QFIPXVFZSA-N	0	1	482.533	2.623	50	30		JFEAMN
CCN1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000008871161	554766398	/nfs/dbraw/zinc/76/63/98/554766398.db2.gz	UIOFRSUKBLFXRR-NRFANRHFSA-N	0	1	451.552	2.819	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008920159	554816899	/nfs/dbraw/zinc/81/68/99/554816899.db2.gz	FFAGEBHFLUATKV-OAQYLSRUSA-N	0	1	467.478	2.514	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000013451241	555400963	/nfs/dbraw/zinc/40/09/63/555400963.db2.gz	BOJVRHWOONVCCZ-DEOSSOPVSA-N	0	1	496.560	2.931	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000013693453	555588319	/nfs/dbraw/zinc/58/83/19/555588319.db2.gz	VNOCHWICZQCHCQ-FQEVSTJZSA-N	0	1	456.470	2.761	50	30		JFEAMN
COc1ccc(F)cc1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000013727761	555601588	/nfs/dbraw/zinc/60/15/88/555601588.db2.gz	YLKXCVPMBSICJP-NRFANRHFSA-N	0	1	458.461	2.884	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000020024840	555602933	/nfs/dbraw/zinc/60/29/33/555602933.db2.gz	VPJFXLLARWIUHX-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013730166	555603091	/nfs/dbraw/zinc/60/30/91/555603091.db2.gz	PPKHCGDDNLXMFG-OAQYLSRUSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1F	ZINC000013735848	555606092	/nfs/dbraw/zinc/60/60/92/555606092.db2.gz	YODRXLXWZOMYPK-NRFANRHFSA-N	0	1	458.461	2.884	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020100968	555633731	/nfs/dbraw/zinc/63/37/31/555633731.db2.gz	NENJGDBHYWNINN-HSZRJFAPSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1	ZINC000020101931	555634350	/nfs/dbraw/zinc/63/43/50/555634350.db2.gz	OYKLSLXIBPXITK-QFIPXVFZSA-N	0	1	452.507	2.701	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020309406	555766609	/nfs/dbraw/zinc/76/66/09/555766609.db2.gz	WMQLHWOSCFDEDI-HSZRJFAPSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000012576594	556076097	/nfs/dbraw/zinc/07/60/97/556076097.db2.gz	YGDBMQPRGFWUOM-JOCHJYFZSA-N	0	1	466.534	2.923	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCN(C)C	ZINC000024147483	556123757	/nfs/dbraw/zinc/12/37/57/556123757.db2.gz	LLPCACGPMKKBSX-MHZLTWQESA-N	0	1	475.545	2.912	50	30		JFEAMN
CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(F)cc1)=C(O)C(=O)N2CCN(C)C	ZINC000024147366	556123780	/nfs/dbraw/zinc/12/37/80/556123780.db2.gz	BXRUYEBOSQTWJT-VWLOTQADSA-N	0	1	451.498	2.876	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000017179975	556234498	/nfs/dbraw/zinc/23/44/98/556234498.db2.gz	KZPDMTSVVBFDRM-DEOSSOPVSA-N	0	1	496.560	2.931	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)c1C	ZINC000008667100	562949041	/nfs/dbraw/zinc/94/90/41/562949041.db2.gz	FAOKHGSNHKKQIK-FQEVSTJZSA-N	0	1	487.578	2.780	50	30		JFEAMN
C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000061868505	569609180	/nfs/dbraw/zinc/60/91/80/569609180.db2.gz	YEFZMQBBUXDESS-LJQANCHMSA-N	0	1	470.533	2.590	50	30		JFEAMN
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)Nc4ccc(C#N)cc4)c(Cl)cc32)no1	ZINC000065022506	569649083	/nfs/dbraw/zinc/64/90/83/569649083.db2.gz	QSTGOSSFLMACDJ-UHFFFAOYSA-N	0	1	473.898	2.883	50	30		JFEAMN
Cc1nc(-c2cc(S(=O)(=O)Nc3cccc(C#N)c3)cn2C)sc1C(=O)N1CCOCC1	ZINC000065137583	569668496	/nfs/dbraw/zinc/66/84/96/569668496.db2.gz	HWYDNJCNHUBVRW-UHFFFAOYSA-N	0	1	471.564	2.602	50	30		JFEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000100607208	569765594	/nfs/dbraw/zinc/76/55/94/569765594.db2.gz	CXABBZNOMGYCPW-IAMBOQNYSA-N	0	1	481.549	2.966	50	30		JFEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000100607208	569765595	/nfs/dbraw/zinc/76/55/95/569765595.db2.gz	CXABBZNOMGYCPW-IAMBOQNYSA-N	0	1	481.549	2.966	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1	ZINC000101287542	569789456	/nfs/dbraw/zinc/78/94/56/569789456.db2.gz	SBKJWHBHHUDOIC-AYWGPLOBSA-N	0	1	464.518	2.711	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102856732	569824632	/nfs/dbraw/zinc/82/46/32/569824632.db2.gz	XYNHJRBCRYRVTB-MRJHHRETSA-N	0	1	451.479	2.657	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000169620694	569868381	/nfs/dbraw/zinc/86/83/81/569868381.db2.gz	SCJDKZKCFMQTQE-MRESPNAKSA-N	0	1	461.587	2.941	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)C[C@@H]1OC	ZINC000170597653	569872705	/nfs/dbraw/zinc/87/27/05/569872705.db2.gz	NGYYJZPVJRGOGG-LDLFBNOTSA-N	0	1	468.550	2.653	50	30		JFEAMN
COC1=CC=C([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)C[C@@H]1OC	ZINC000170597653	569872706	/nfs/dbraw/zinc/87/27/06/569872706.db2.gz	NGYYJZPVJRGOGG-LDLFBNOTSA-N	0	1	468.550	2.653	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21	ZINC000221544002	569883699	/nfs/dbraw/zinc/88/36/99/569883699.db2.gz	AJSNFODMFXEQAY-GPMSIDNRSA-N	0	1	498.413	2.679	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C21	ZINC000221544002	569883700	/nfs/dbraw/zinc/88/37/00/569883700.db2.gz	AJSNFODMFXEQAY-GPMSIDNRSA-N	0	1	498.413	2.679	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNC(=O)OC(C)(C)C)C1=O)O2	ZINC000253412861	570098079	/nfs/dbraw/zinc/09/80/79/570098079.db2.gz	SHEGETRBZJWLPL-ZTBKZUISSA-N	0	1	486.521	2.683	50	30	biogenic	JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009301914	124089489	/nfs/dbraw/zinc/08/94/89/124089489.db2.gz	OIRFRZURJKFBJT-NXLSWJSLSA-N	0	1	496.560	2.856	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1F	ZINC000102483831	130137566	/nfs/dbraw/zinc/13/75/66/130137566.db2.gz	HEQNHZIBARTPON-IAMBOQNYSA-N	0	1	478.524	2.844	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102507745	130162032	/nfs/dbraw/zinc/16/20/32/130162032.db2.gz	YYCCGWCMPMXIMR-IAMBOQNYSA-N	0	1	478.549	2.952	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1	ZINC000102509095	130162992	/nfs/dbraw/zinc/16/29/92/130162992.db2.gz	GNRRQYQSIUOSFO-HOGKFDNTSA-N	0	1	451.523	2.624	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102526798	130179199	/nfs/dbraw/zinc/17/91/99/130179199.db2.gz	AVLILEZRXWCJFP-WZLGSTDNSA-N	0	1	478.545	2.773	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102528956	130182342	/nfs/dbraw/zinc/18/23/42/130182342.db2.gz	NDNSHLLXOLGHRU-MOBKVPTQSA-N	0	1	470.497	2.597	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000102691464	130238705	/nfs/dbraw/zinc/23/87/05/130238705.db2.gz	ODXXSGSRQYTCIG-MOBKVPTQSA-N	0	1	451.523	2.624	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1	ZINC000102711456	130257633	/nfs/dbraw/zinc/25/76/33/130257633.db2.gz	RAKUEHJFYGVKHY-HOGKFDNTSA-N	0	1	451.523	2.624	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000102716947	130263237	/nfs/dbraw/zinc/26/32/37/130263237.db2.gz	HJDDOYGITFCKHF-ZHHPLPSFSA-N	0	1	482.508	2.741	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102740857	130285366	/nfs/dbraw/zinc/28/53/66/130285366.db2.gz	RGRCHGSHZCHSHS-YDJIHCHBSA-N	0	1	456.470	2.604	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Cl)c1	ZINC000102800103	130309113	/nfs/dbraw/zinc/30/91/13/130309113.db2.gz	UGEMQLFVTWLEIH-WOOAAIBNSA-N	0	1	478.954	2.658	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000102879886	130355196	/nfs/dbraw/zinc/35/51/96/130355196.db2.gz	WNDNJOWESGSPTI-PGVNHDJNSA-N	0	1	469.538	2.800	50	30		JFEAMN
O=C(c1cccs1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1	ZINC000102897243	130379413	/nfs/dbraw/zinc/37/94/13/130379413.db2.gz	UKZFIWVCJLKRPK-UYTDBDHRSA-N	0	1	452.326	2.941	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(F)c1)C1CC1	ZINC000036309578	518296890	/nfs/dbraw/zinc/29/68/90/518296890.db2.gz	IYXQFIPECBRFKV-REWPJTCUSA-N	0	1	472.582	2.867	50	30		JFEAMN
C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000033033064	518768515	/nfs/dbraw/zinc/76/85/15/518768515.db2.gz	WIVSPBABFYJUQV-UHFFFAOYSA-N	0	1	497.621	2.670	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1	ZINC000009158326	519020051	/nfs/dbraw/zinc/02/00/51/519020051.db2.gz	PVSFIHJHVMKGTN-QHCPKHFHSA-N	0	1	464.518	2.868	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020392270	519021127	/nfs/dbraw/zinc/02/11/27/519021127.db2.gz	AIAMXUHFBRKOTP-DEOSSOPVSA-N	0	1	494.544	2.876	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000009471108	520878464	/nfs/dbraw/zinc/87/84/64/520878464.db2.gz	WMFPZJVXQYOEBV-JOCHJYFZSA-N	0	1	471.506	2.690	50	30		JFEAMN
CCOc1cccc(C(=O)C2C(=O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2cccc(F)c2)c1	ZINC000011913848	521318833	/nfs/dbraw/zinc/31/88/33/521318833.db2.gz	CBMKLKHTQFJCSR-PXNSSMCTSA-N	0	1	459.495	2.990	50	30		JFEAMN
CCN(Cc1ccccc1)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)CCC#N)cc2c1=O	ZINC000006181047	521369551	/nfs/dbraw/zinc/36/95/51/521369551.db2.gz	RGVBRHAPYVLDDO-UHFFFAOYSA-N	0	1	452.536	2.725	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009353564	522162864	/nfs/dbraw/zinc/16/28/64/522162864.db2.gz	MXJDVHLIFQYGOR-OAQYLSRUSA-N	0	1	462.506	2.569	50	30		JFEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000015952772	522163501	/nfs/dbraw/zinc/16/35/01/522163501.db2.gz	HGGGZLZVLVAKKF-IEBWSBKVSA-N	0	1	489.933	2.892	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000009353558	522171109	/nfs/dbraw/zinc/17/11/09/522171109.db2.gz	MXJDVHLIFQYGOR-NRFANRHFSA-N	0	1	462.506	2.569	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1	ZINC000015952773	522171666	/nfs/dbraw/zinc/17/16/66/522171666.db2.gz	HGGGZLZVLVAKKF-HKUYNNGSSA-N	0	1	489.933	2.892	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000009307201	523281603	/nfs/dbraw/zinc/28/16/03/523281603.db2.gz	SEZKCOFGSMJJHB-NRFANRHFSA-N	0	1	472.563	2.860	50	30		JFEAMN
Cc1nnc(C)n1/N=C/c1cc(I)cc(I)c1O	ZINC000009109030	526325671	/nfs/dbraw/zinc/32/56/71/526325671.db2.gz	GZIQOBBQNZKEHH-LHHJGKSTSA-N	0	1	468.036	2.692	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1	ZINC000006143611	527671257	/nfs/dbraw/zinc/67/12/57/527671257.db2.gz	VAMYHHOGXQALSS-QFIPXVFZSA-N	0	1	450.491	2.716	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(O)c2)cc1	ZINC000102493111	534967986	/nfs/dbraw/zinc/96/79/86/534967986.db2.gz	OPIUHNSOHJIGEH-ZHHPLPSFSA-N	0	1	466.534	2.933	50	30		JFEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccccc2)cc1	ZINC000102436487	536103663	/nfs/dbraw/zinc/10/36/63/536103663.db2.gz	KRJFEQANKSQSTH-AYWGPLOBSA-N	0	1	497.617	2.845	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102535292	536562940	/nfs/dbraw/zinc/56/29/40/536562940.db2.gz	XBYCVNZJZBNRTE-NXLSWJSLSA-N	0	1	496.560	2.862	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102535303	536563511	/nfs/dbraw/zinc/56/35/11/536563511.db2.gz	XBYCVNZJZBNRTE-SBXHHDGASA-N	0	1	496.560	2.862	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1	ZINC000102537164	536564131	/nfs/dbraw/zinc/56/41/31/536564131.db2.gz	YXOBCIFNDNAPME-HOGKFDNTSA-N	0	1	454.498	2.978	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(F)c2)cc1F	ZINC000102751947	536567235	/nfs/dbraw/zinc/56/72/35/536567235.db2.gz	DVVVPLQUIKJTHM-JBCNATCCSA-N	0	1	458.461	2.727	50	30		JFEAMN
C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(CC)CC2)SC1=S	ZINC000001260400	553937657	/nfs/dbraw/zinc/93/76/57/553937657.db2.gz	LWMVPORSDVYBRS-VKAVYKQESA-N	0	1	455.609	2.532	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1	ZINC000008738599	554640077	/nfs/dbraw/zinc/64/00/77/554640077.db2.gz	ZXOPNWMDEMHHIJ-HOGKFDNTSA-N	0	1	454.498	2.978	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1	ZINC000008744017	554646911	/nfs/dbraw/zinc/64/69/11/554646911.db2.gz	LNFMMCDZUFREKO-JOCHJYFZSA-N	0	1	451.523	2.781	50	30		JFEAMN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000008818057	554701547	/nfs/dbraw/zinc/70/15/47/554701547.db2.gz	IWXZKGJOGOFHJM-OAQYLSRUSA-N	0	1	451.479	2.814	50	30		JFEAMN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1F	ZINC000008826913	554716815	/nfs/dbraw/zinc/71/68/15/554716815.db2.gz	VCAMGWHBRJACRQ-QFIPXVFZSA-N	0	1	464.497	2.692	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837702	554738808	/nfs/dbraw/zinc/73/88/08/554738808.db2.gz	HHAZKUMTEMQZCW-FQEVSTJZSA-N	0	1	463.494	2.999	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008837702	554738809	/nfs/dbraw/zinc/73/88/09/554738809.db2.gz	HHAZKUMTEMQZCW-FQEVSTJZSA-N	0	1	463.494	2.999	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008858456	554755471	/nfs/dbraw/zinc/75/54/71/554755471.db2.gz	KHLSFADOAFMCII-QHCPKHFHSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1Cl	ZINC000008859418	554755969	/nfs/dbraw/zinc/75/59/69/554755969.db2.gz	PWLXYYYNUODYKM-FQEVSTJZSA-N	0	1	457.914	2.654	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000008919387	554816208	/nfs/dbraw/zinc/81/62/08/554816208.db2.gz	RGYCZRFVJZFIGD-HSZRJFAPSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000008983130	554847463	/nfs/dbraw/zinc/84/74/63/554847463.db2.gz	FFAGEBHFLUATKV-NRFANRHFSA-N	0	1	467.478	2.514	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000008986644	554849472	/nfs/dbraw/zinc/84/94/72/554849472.db2.gz	XSDOEXXPBRKKRX-JOCHJYFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883847	555528037	/nfs/dbraw/zinc/52/80/37/555528037.db2.gz	FKEDPANYCSRMLE-FQEVSTJZSA-N	0	1	455.442	2.644	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c(C)n1	ZINC000013689199	555582568	/nfs/dbraw/zinc/58/25/68/555582568.db2.gz	SPMRXRUQDNUOGW-FQEVSTJZSA-N	0	1	456.930	2.657	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c(C)n1	ZINC000013689197	555582591	/nfs/dbraw/zinc/58/25/91/555582591.db2.gz	SPMRXRUQDNUOGW-HXUWFJFHSA-N	0	1	456.930	2.657	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000020193177	555694695	/nfs/dbraw/zinc/69/46/95/555694695.db2.gz	SKRVLZYXMOTLRB-FQEVSTJZSA-N	0	1	454.479	2.572	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C	ZINC000020219162	555713150	/nfs/dbraw/zinc/71/31/50/555713150.db2.gz	WFZKXWBKJFMEPI-QFIPXVFZSA-N	0	1	481.549	2.637	50	30		JFEAMN
Cc1c(C#N)c(=O)n(C)c(N2CCN(Cc3ccccc3)CC2)c1/C=C1\SC(=S)N(C)C1=O	ZINC000020227903	555718348	/nfs/dbraw/zinc/71/83/48/555718348.db2.gz	OUHIWQFDCHVTFT-MOSHPQCFSA-N	0	1	479.631	2.719	50	30		JFEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000020231834	555721736	/nfs/dbraw/zinc/72/17/36/555721736.db2.gz	WJXCQBCTLXXPLS-QFIPXVFZSA-N	0	1	498.532	2.624	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020264831	555747363	/nfs/dbraw/zinc/74/73/63/555747363.db2.gz	XZTOMPGXTZHJIH-JOCHJYFZSA-N	0	1	470.522	2.861	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)c(O)c1	ZINC000020309431	555766538	/nfs/dbraw/zinc/76/65/38/555766538.db2.gz	PEHHXPGCUAKYJG-FQEVSTJZSA-N	0	1	458.536	2.763	50	30		JFEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccs3)ccc2O1	ZINC000024146879	556123369	/nfs/dbraw/zinc/12/33/69/556123369.db2.gz	YJOJAVSMIGDXDQ-BTYIYWSLSA-N	0	1	454.548	2.982	50	30		JFEAMN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CCN(C)C	ZINC000024334801	556129657	/nfs/dbraw/zinc/12/96/57/556129657.db2.gz	KURCVDKUUYQEFF-SANMLTNESA-N	0	1	463.534	2.664	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)c(C)c1	ZINC000016944694	556182527	/nfs/dbraw/zinc/18/25/27/556182527.db2.gz	HCWVDIIXCVOHBS-DEOSSOPVSA-N	0	1	496.560	2.931	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000017207348	556241087	/nfs/dbraw/zinc/24/10/87/556241087.db2.gz	NMSURMJGTXUVRE-NRFANRHFSA-N	0	1	488.562	2.560	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccccc2)cc1	ZINC000013127213	556343127	/nfs/dbraw/zinc/34/31/27/556343127.db2.gz	JZQXVZRVJXNGRH-NRFANRHFSA-N	0	1	472.563	2.942	50	30		JFEAMN
Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C#N)cc3)c(C)n2C)sc1C(=O)N1CCOCC1	ZINC000065036110	569653098	/nfs/dbraw/zinc/65/30/98/569653098.db2.gz	LWFVLYHENAYZPB-UHFFFAOYSA-N	0	1	485.591	2.910	50	30		JFEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000085413549	569710643	/nfs/dbraw/zinc/71/06/43/569710643.db2.gz	RQQKQGQFEXWABZ-YCRPNKLZSA-N	0	1	451.431	2.901	50	30		JFEAMN
C=CCOC[C@H](O)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249732	569758010	/nfs/dbraw/zinc/75/80/10/569758010.db2.gz	JJAXHNJWDJVYCW-YADHBBJMSA-N	0	1	475.561	2.862	50	30		JFEAMN
NC(=O)c1ccccc1NC(=O)C(O)=CC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1	ZINC000100721705	569767736	/nfs/dbraw/zinc/76/77/36/569767736.db2.gz	JYTYXJQSDPJVSA-UHFFFAOYSA-N	0	1	481.464	2.785	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C21	ZINC000100910816	569775225	/nfs/dbraw/zinc/77/52/25/569775225.db2.gz	AJSNFODMFXEQAY-BXWFABGCSA-N	0	1	498.413	2.679	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21	ZINC000221544122	569883694	/nfs/dbraw/zinc/88/36/94/569883694.db2.gz	XQLGFDHONDELJD-GPMSIDNRSA-N	0	1	499.306	2.967	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21	ZINC000221544122	569883695	/nfs/dbraw/zinc/88/36/95/569883695.db2.gz	XQLGFDHONDELJD-GPMSIDNRSA-N	0	1	499.306	2.967	50	30		JFEAMN
C=CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327996	570065558	/nfs/dbraw/zinc/06/55/58/570065558.db2.gz	MJDJVXCBSMMMBU-FGZHOGPDSA-N	0	1	457.571	2.723	50	30		JFEAMN
C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000245327996	570065559	/nfs/dbraw/zinc/06/55/59/570065559.db2.gz	MJDJVXCBSMMMBU-FGZHOGPDSA-N	0	1	457.571	2.723	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3ccc(O)c(O)c3)C1=O)O2	ZINC000253402906	570096674	/nfs/dbraw/zinc/09/66/74/570096674.db2.gz	GTMGUNDXZWZLLX-CTSWPSOHSA-N	0	1	479.485	2.812	50	30	biogenic	JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102483155	130136346	/nfs/dbraw/zinc/13/63/46/130136346.db2.gz	JWIAIMNOLBKQRX-ASBZNUFUSA-N	0	1	463.494	2.843	50	30		JFEAMN
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000102483155	130136350	/nfs/dbraw/zinc/13/63/50/130136350.db2.gz	JWIAIMNOLBKQRX-ASBZNUFUSA-N	0	1	463.494	2.843	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(=O)OC)cc2)c1C	ZINC000102538390	130193116	/nfs/dbraw/zinc/19/31/16/130193116.db2.gz	XWPITKAJEKJQOI-PGVNHDJNSA-N	0	1	497.548	2.578	50	30		JFEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c1C	ZINC000102540494	130195636	/nfs/dbraw/zinc/19/56/36/130195636.db2.gz	CIOQVMCBWIUWND-BUANBSPESA-N	0	1	495.576	2.952	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000102555079	130205533	/nfs/dbraw/zinc/20/55/33/130205533.db2.gz	PKSBYPDORZXRAI-MOBKVPTQSA-N	0	1	471.506	2.533	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000102643745	130229330	/nfs/dbraw/zinc/22/93/30/130229330.db2.gz	BSOZPQSAFRCMFA-FEETXENISA-N	0	1	451.475	2.865	50	30		JFEAMN
Cc1ncc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c(C)n1	ZINC000102746240	130287331	/nfs/dbraw/zinc/28/73/31/130287331.db2.gz	WPVKCRKXTZYLDC-YDJIHCHBSA-N	0	1	456.930	2.501	50	30		JFEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Cl)c1	ZINC000102800106	130309102	/nfs/dbraw/zinc/30/91/02/130309102.db2.gz	UGEMQLFVTWLEIH-LFVOPCPISA-N	0	1	478.954	2.658	50	30		JFEAMN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1	ZINC000102874977	130346920	/nfs/dbraw/zinc/34/69/20/130346920.db2.gz	HERJYNZFNCLJBH-MOBKVPTQSA-N	0	1	454.498	2.978	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(O)c1	ZINC000102893166	130375568	/nfs/dbraw/zinc/37/55/68/130375568.db2.gz	XPCNZZYEWKMNIX-HOGKFDNTSA-N	0	1	461.474	2.872	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C1CC1	ZINC000036310037	518297786	/nfs/dbraw/zinc/29/77/86/518297786.db2.gz	URYNQVQNFWNTCV-GBXCKJPGSA-N	0	1	484.618	2.737	50	30		JFEAMN
C=CCNC(=O)c1cn(Cc2ccccc2)cc(C(=O)N2CCN(C3CCCCC3)CC2)c1=O	ZINC000014976531	518945447	/nfs/dbraw/zinc/94/54/47/518945447.db2.gz	ZDAHZPRYSYTMMW-UHFFFAOYSA-N	0	1	462.594	2.903	50	30		JFEAMN
C=CCOc1ccccc1CN1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1	ZINC000011814653	519070343	/nfs/dbraw/zinc/07/03/43/519070343.db2.gz	KITUGHTXUHMPOA-UHFFFAOYSA-N	0	1	451.527	2.571	50	30		JFEAMN
CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1	ZINC000012382760	519778518	/nfs/dbraw/zinc/77/85/18/519778518.db2.gz	MBUBPUXWDABDFE-JOCHJYFZSA-N	0	1	451.523	2.779	50	30		JFEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1	ZINC000020546561	521424790	/nfs/dbraw/zinc/42/47/90/521424790.db2.gz	DIFYXSXLUXEWAH-QFIPXVFZSA-N	0	1	452.507	2.996	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000009339979	523375809	/nfs/dbraw/zinc/37/58/09/523375809.db2.gz	BLKJMXXWCUHUDW-YDJIHCHBSA-N	0	1	455.467	2.595	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009046556	523558776	/nfs/dbraw/zinc/55/87/76/523558776.db2.gz	FCUKIAHXLYFWNU-QHCPKHFHSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2OC)cc1	ZINC000004042631	523559225	/nfs/dbraw/zinc/55/92/25/523559225.db2.gz	VVICLPIUTZZVAP-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000009374795	523560606	/nfs/dbraw/zinc/56/06/06/523560606.db2.gz	OERONQBKJDQADZ-HSZRJFAPSA-N	0	1	482.533	2.628	50	30		JFEAMN
COc1ccccc1/C=N/OCc1nc2c3c(C)c(C)n(CCCN4CCOCC4)c3ncn2n1	ZINC000020589383	524325818	/nfs/dbraw/zinc/32/58/18/524325818.db2.gz	APHWWJARINADFN-JFLMPSFJSA-N	0	1	477.569	2.977	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1	ZINC000009310160	525220513	/nfs/dbraw/zinc/22/05/13/525220513.db2.gz	VSNAQXNYCSVCFB-JOCHJYFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009354974	527672028	/nfs/dbraw/zinc/67/20/28/527672028.db2.gz	YAJKFUQIRUCPII-HXUWFJFHSA-N	0	1	455.442	2.644	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C)cc1	ZINC000102556747	536539518	/nfs/dbraw/zinc/53/95/18/536539518.db2.gz	HUFXNUPLIXWALD-MRJHHRETSA-N	0	1	472.563	2.704	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102437670	536562960	/nfs/dbraw/zinc/56/29/60/536562960.db2.gz	PICARNUASGIMEM-SBXHHDGASA-N	0	1	479.577	2.905	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1C	ZINC000102533255	536563166	/nfs/dbraw/zinc/56/31/66/536563166.db2.gz	WJXQYJWWNFVJQJ-ZHHPLPSFSA-N	0	1	466.534	2.853	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N(CC)CC)ccc1-2	ZINC000000973052	553888068	/nfs/dbraw/zinc/88/80/68/553888068.db2.gz	AEESOEJLSASDMP-UHFFFAOYSA-N	0	1	465.597	2.955	50	30		JFEAMN
N#Cc1cc2c(nc1SCC(=O)Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)CCC2	ZINC000006328242	554531507	/nfs/dbraw/zinc/53/15/07/554531507.db2.gz	SJJCZQPBDPQMMQ-UHFFFAOYSA-N	0	1	466.548	2.764	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN2CCOCC2)c1	ZINC000008738600	554640054	/nfs/dbraw/zinc/64/00/54/554640054.db2.gz	ZXOPNWMDEMHHIJ-MOBKVPTQSA-N	0	1	454.498	2.978	50	30		JFEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(CCCc3ccccc3)c2c(=O)[nH]c1=O	ZINC000008809486	554688490	/nfs/dbraw/zinc/68/84/90/554688490.db2.gz	YPNMQKAXKDDGLO-ZMOGYAJESA-N	0	1	497.353	2.970	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1C	ZINC000008817237	554699804	/nfs/dbraw/zinc/69/98/04/554699804.db2.gz	MBKCKJPLNMTXMK-JOCHJYFZSA-N	0	1	499.539	2.858	50	30		JFEAMN
COc1ccccc1[C@@H]1C(C(=O)c2c(C)nc3ccccn32)C(=O)C(=O)N1CCCN1CCOCC1	ZINC000008827088	554717032	/nfs/dbraw/zinc/71/70/32/554717032.db2.gz	PWSHKHXXEHQIDE-XMMPIXPASA-N	0	1	490.560	2.952	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C	ZINC000008834934	554733318	/nfs/dbraw/zinc/73/33/18/554733318.db2.gz	BATGKMGOMOOMBB-JOCHJYFZSA-N	0	1	499.539	2.858	50	30		JFEAMN
O=[N+]([O-])c1ccc(Nc2nc(N=NCc3ccccc3[N+](=O)[O-])nc(N3CCOCC3)n2)cc1	ZINC000008872879	554769771	/nfs/dbraw/zinc/76/97/71/554769771.db2.gz	NQNMSZVBGKPBQP-FYJGNVAPSA-N	0	1	465.430	2.714	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000008897058	554787248	/nfs/dbraw/zinc/78/72/48/554787248.db2.gz	YYFOBWJAOWYVKT-QHCPKHFHSA-N	0	1	482.508	2.898	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008905328	554799711	/nfs/dbraw/zinc/79/97/11/554799711.db2.gz	HHYXBGHIIYOQJE-AYWGPLOBSA-N	0	1	490.512	2.973	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000008921198	554817864	/nfs/dbraw/zinc/81/78/64/554817864.db2.gz	LSPAAODKSYWWBT-NRFANRHFSA-N	0	1	476.533	2.878	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000009007655	554860997	/nfs/dbraw/zinc/86/09/97/554860997.db2.gz	BHGVIUYBOYBKHU-AYWGPLOBSA-N	0	1	466.534	2.848	50	30		JFEAMN
N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000009738731	555470401	/nfs/dbraw/zinc/47/04/01/555470401.db2.gz	PJTRQVINEGHRDA-UHFFFAOYSA-N	0	1	493.497	2.926	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1	ZINC000013551848	555492244	/nfs/dbraw/zinc/49/22/44/555492244.db2.gz	DBBYEZDBQVNJPP-OAQYLSRUSA-N	0	1	470.522	2.861	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCN(C)C)c(OC)c1	ZINC000013682857	555576217	/nfs/dbraw/zinc/57/62/17/555576217.db2.gz	QCTJWAVMIKVEDY-OAQYLSRUSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)c(OC)c1	ZINC000013690378	555584135	/nfs/dbraw/zinc/58/41/35/555584135.db2.gz	ACGCOSAHHXIZTB-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Cl)c1	ZINC000013732765	555604489	/nfs/dbraw/zinc/60/44/89/555604489.db2.gz	FXDJEOUIRIAFEA-HXUWFJFHSA-N	0	1	458.946	2.601	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)c1OC	ZINC000020219250	555713752	/nfs/dbraw/zinc/71/37/52/555713752.db2.gz	AHJVAVZOSVJQFD-OAQYLSRUSA-N	0	1	468.506	2.615	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC	ZINC000020229893	555720712	/nfs/dbraw/zinc/72/07/12/555720712.db2.gz	JCDFMNNJDVWPJL-HXUWFJFHSA-N	0	1	455.467	2.752	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000020264828	555747313	/nfs/dbraw/zinc/74/73/13/555747313.db2.gz	XZTOMPGXTZHJIH-QFIPXVFZSA-N	0	1	470.522	2.861	50	30		JFEAMN
CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020266948	555748378	/nfs/dbraw/zinc/74/83/78/555748378.db2.gz	ZRYRLKPIOFUOSE-DEOSSOPVSA-N	0	1	494.544	2.767	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CCCN2CCOCC2)c1	ZINC000020309467	555766577	/nfs/dbraw/zinc/76/65/77/555766577.db2.gz	BBZGZRVNVFDFNV-QHCPKHFHSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)c(O)c1	ZINC000020309401	555766616	/nfs/dbraw/zinc/76/66/16/555766616.db2.gz	SXDRMXVQXRMAEG-QFIPXVFZSA-N	0	1	470.497	2.841	50	30		JFEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000024192915	556125687	/nfs/dbraw/zinc/12/56/87/556125687.db2.gz	WNGGARPSXUOAMH-QHCPKHFHSA-N	0	1	464.518	2.677	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c(C)c1	ZINC000017123941	556220221	/nfs/dbraw/zinc/22/02/21/556220221.db2.gz	ZUKWZNKMDBECEQ-HSZRJFAPSA-N	0	1	496.560	2.931	50	30		JFEAMN
C=CCC[C@@H](O)CN(CCN1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036249783	569758127	/nfs/dbraw/zinc/75/81/27/569758127.db2.gz	NUGILHWJYANDSU-HSZRJFAPSA-N	0	1	470.614	2.640	50	30		JFEAMN
CCOC(=O)[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21	ZINC000100910824	569775186	/nfs/dbraw/zinc/77/51/86/569775186.db2.gz	XQLGFDHONDELJD-TXPKVOOTSA-N	0	1	499.306	2.967	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101287003	569789250	/nfs/dbraw/zinc/78/92/50/569789250.db2.gz	NQPLJHOBYMONPI-ZHHPLPSFSA-N	0	1	493.516	2.914	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101287030	569789343	/nfs/dbraw/zinc/78/93/43/569789343.db2.gz	VMSJRNWINJJRBI-AYWGPLOBSA-N	0	1	493.516	2.914	50	30		JFEAMN
COc1ccc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(C#N)cc2)n(C)c(=O)c(=O)n3C)cc1	ZINC000102513078	569813771	/nfs/dbraw/zinc/81/37/71/569813771.db2.gz	CFYXCLUAQVVLTD-UHFFFAOYSA-N	0	1	492.513	2.711	50	30		JFEAMN
Cc1c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)cnn1-c1ccccc1	ZINC000102863506	569825451	/nfs/dbraw/zinc/82/54/51/569825451.db2.gz	ZEPSFJNUZMCILZ-SBXHHDGASA-N	0	1	472.545	2.935	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1OC	ZINC000102929216	569827528	/nfs/dbraw/zinc/82/75/28/569827528.db2.gz	UWQIXPKTVFGRHI-ZHHPLPSFSA-N	0	1	484.524	2.987	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1OC	ZINC000102929215	569827670	/nfs/dbraw/zinc/82/76/70/569827670.db2.gz	UWQIXPKTVFGRHI-AYWGPLOBSA-N	0	1	484.524	2.987	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102931964	569828560	/nfs/dbraw/zinc/82/85/60/569828560.db2.gz	JSTZPXNEODWWLO-HFEWCJDKSA-N	0	1	464.522	2.643	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCN(C)C)c1	ZINC000102933240	569829037	/nfs/dbraw/zinc/82/90/37/569829037.db2.gz	ZBSQKVQJHVZHKM-HFEWCJDKSA-N	0	1	478.549	2.952	50	30		JFEAMN
C=CCN1c2ccccc2[C@@]2(N[C@H](CCSC)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1=O	ZINC000103129983	569833132	/nfs/dbraw/zinc/83/31/32/569833132.db2.gz	SCJDKZKCFMQTQE-XTOGBABISA-N	0	1	461.587	2.941	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C1CC1	ZINC000230110856	570045048	/nfs/dbraw/zinc/04/50/48/570045048.db2.gz	HQVAZNYXVKROPA-HYBUGGRVSA-N	0	1	484.618	2.737	50	30		JFEAMN
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000239248077	570049815	/nfs/dbraw/zinc/04/98/15/570049815.db2.gz	XZSIBNOTUHHFOF-WOVYWWTOSA-N	0	1	488.493	2.874	50	30		JFEAMN
Oc1ccc(Br)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1	ZINC000252597010	570084645	/nfs/dbraw/zinc/08/46/45/570084645.db2.gz	CNOXGCCSMVYXIU-UHFFFAOYSA-N	0	1	462.352	2.613	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC[C@@H]3COc4ccccc4O3)C1=O)O2	ZINC000253413124	570098125	/nfs/dbraw/zinc/09/81/25/570098125.db2.gz	TWHCABRHIZBTRV-VJVFJBEASA-N	0	1	491.496	2.998	50	30	biogenic	JFEAMN
COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)N2CCCC2)c1	ZINC000009950857	195033434	/nfs/dbraw/zinc/03/34/34/195033434.db2.gz	YBTJPYLMIGUPRM-VWLOTQADSA-N	0	1	496.633	2.921	50	30		JFEAMN
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](c2cccs2)c2ccccc2)CC1	ZINC000012906136	195179801	/nfs/dbraw/zinc/17/98/01/195179801.db2.gz	QIARUXOBOVCCER-XMMPIXPASA-N	0	1	480.615	2.832	50	30		JFEAMN
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC(CCN3CCOCC3)CC2)CC1	ZINC000058159328	195368302	/nfs/dbraw/zinc/36/83/02/195368302.db2.gz	OFDWBDGWKYKWGM-UHFFFAOYSA-N	0	1	467.570	2.984	50	30		JFEAMN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102402545	130126379	/nfs/dbraw/zinc/12/63/79/130126379.db2.gz	UAYCDYLDJLULJZ-HOGKFDNTSA-N	0	1	452.555	2.904	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1	ZINC000102705108	130250448	/nfs/dbraw/zinc/25/04/48/130250448.db2.gz	AIOCNYOQJVVAJT-ISYIFQNYSA-N	0	1	489.933	2.735	50	30		JFEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000102734834	130278781	/nfs/dbraw/zinc/27/87/81/130278781.db2.gz	GUNOCRJDOAKPOX-SBXHHDGASA-N	0	1	478.545	2.910	50	30		JFEAMN
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c(C)n1	ZINC000102749086	130289075	/nfs/dbraw/zinc/28/90/75/130289075.db2.gz	GWYMJQCHYVAREB-SELCWUDQSA-N	0	1	459.344	2.839	50	30		JFEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102859340	130329522	/nfs/dbraw/zinc/32/95/22/130329522.db2.gz	XPPASKCJEPXRDI-MRJHHRETSA-N	0	1	484.936	2.881	50	30		JFEAMN
COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN2CCOCC2)c1	ZINC000102860303	130330976	/nfs/dbraw/zinc/33/09/76/130330976.db2.gz	UMIAMSDBLWWINZ-UVDRRRQGSA-N	0	1	490.560	2.795	50	30		JFEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(O)cc1	ZINC000102896848	130378813	/nfs/dbraw/zinc/37/88/13/130378813.db2.gz	DPOWCQNIVXMQNZ-HOGKFDNTSA-N	0	1	461.474	2.872	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C	ZINC000036309968	518297330	/nfs/dbraw/zinc/29/73/30/518297330.db2.gz	SWTAJAFUZPRWQC-UNMCSNQZSA-N	0	1	456.608	2.894	50	30		JFEAMN
C#CCOC[C@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1	ZINC000036309040	518308300	/nfs/dbraw/zinc/30/83/00/518308300.db2.gz	BXZMNULLCJETOR-QPPBQGQZSA-N	0	1	486.634	2.602	50	30		JFEAMN
C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1	ZINC000011394336	518968371	/nfs/dbraw/zinc/96/83/71/518968371.db2.gz	DNQBUGKJRVHSEK-GFCCVEGCSA-N	0	1	477.597	2.846	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009243158	519011733	/nfs/dbraw/zinc/01/17/33/519011733.db2.gz	MLNBCGJCLBYMRD-HOGKFDNTSA-N	0	1	452.507	2.949	50	30		JFEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009158324	519021167	/nfs/dbraw/zinc/02/11/67/519021167.db2.gz	PVSFIHJHVMKGTN-HSZRJFAPSA-N	0	1	464.518	2.868	50	30		JFEAMN
CCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	ZINC000020561115	520210523	/nfs/dbraw/zinc/21/05/23/520210523.db2.gz	HLDSFYHUBHTPNC-OWOPXTPDSA-N	0	1	488.493	2.875	50	30		JFEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009424338	520878242	/nfs/dbraw/zinc/87/82/42/520878242.db2.gz	XQGVZWBXZHJTEE-HXUWFJFHSA-N	0	1	456.451	2.581	50	30		JFEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009123759	521233767	/nfs/dbraw/zinc/23/37/67/521233767.db2.gz	VWOJJEGSMUYIKW-ZHHPLPSFSA-N	0	1	466.534	2.848	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009123760	521265210	/nfs/dbraw/zinc/26/52/10/521265210.db2.gz	VWOJJEGSMUYIKW-AYWGPLOBSA-N	0	1	466.534	2.848	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2CCOCCO)cc1	ZINC000009470750	521268210	/nfs/dbraw/zinc/26/82/10/521268210.db2.gz	HYKFYJVZCZHGGQ-FQEVSTJZSA-N	0	1	456.451	2.581	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1C	ZINC000009019455	523561093	/nfs/dbraw/zinc/56/10/93/523561093.db2.gz	UKKVONXGPIMCGS-QHCPKHFHSA-N	0	1	496.560	2.931	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2OC)c1C	ZINC000004040062	524021509	/nfs/dbraw/zinc/02/15/09/524021509.db2.gz	UFQDSNKMNHZQSB-FQEVSTJZSA-N	0	1	485.537	2.575	50	30		JFEAMN
COc1ccc(Nc2nc(=NN=Cc3cc([N+](=O)[O-])ccc3OC)nc(N3CCOCC3)[nH]2)cc1	ZINC000014920287	524717038	/nfs/dbraw/zinc/71/70/38/524717038.db2.gz	RXBDZSCLPOJPBH-OEAKJJBVSA-N	0	1	480.485	2.823	50	30		JFEAMN
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000015837044	525518490	/nfs/dbraw/zinc/51/84/90/525518490.db2.gz	MGDUIWMFACWUAS-CJAUYULYSA-N	0	1	491.588	2.987	50	30		JFEAMN
O=C(c1cccc([N+](=O)[O-])c1)C1C(=O)C(=O)N(CCOCCO)[C@H]1c1ccc(Br)cc1	ZINC000009458743	526268177	/nfs/dbraw/zinc/26/81/77/526268177.db2.gz	RJKBLUFKGGQEEH-SFHVURJKSA-N	0	1	491.294	2.945	50	30		JFEAMN
Cn1c(NN=Cc2cccs2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C	ZINC000009458527	527074343	/nfs/dbraw/zinc/07/43/43/527074343.db2.gz	NJCGHSBLWJILSG-UFFVCSGVSA-N	0	1	473.356	2.752	50	30		JFEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(CCc3ccccc3)c2c(=O)[nH]c1=O	ZINC000005295605	527121493	/nfs/dbraw/zinc/12/14/93/527121493.db2.gz	DVYRPIFNZKAWCR-FMCGGJTJSA-N	0	1	483.326	2.580	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102437676	536563061	/nfs/dbraw/zinc/56/30/61/536563061.db2.gz	PICARNUASGIMEM-NXLSWJSLSA-N	0	1	479.577	2.905	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)c(C)c1	ZINC000102509946	536563285	/nfs/dbraw/zinc/56/32/85/536563285.db2.gz	VMVDXCAUKYLRDR-AYWGPLOBSA-N	0	1	466.534	2.853	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102864321	536564042	/nfs/dbraw/zinc/56/40/42/536564042.db2.gz	IHDIVMNGEHOEAZ-MOBKVPTQSA-N	0	1	454.498	2.978	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000006498803	554546905	/nfs/dbraw/zinc/54/69/05/554546905.db2.gz	CETJHPDEKHSOBQ-BXKMTCNYSA-N	0	1	478.545	2.929	50	30		JFEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)cc1	ZINC000008739431	554641177	/nfs/dbraw/zinc/64/11/77/554641177.db2.gz	NMBPXULNFAWCPU-QFIPXVFZSA-N	0	1	451.523	2.781	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c1C	ZINC000008817309	554700188	/nfs/dbraw/zinc/70/01/88/554700188.db2.gz	FNFXKKIDIVPNON-QFIPXVFZSA-N	0	1	481.549	2.719	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008859884	554756385	/nfs/dbraw/zinc/75/63/85/554756385.db2.gz	KHLSFADOAFMCII-HSZRJFAPSA-N	0	1	482.533	2.623	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000008913853	554806785	/nfs/dbraw/zinc/80/67/85/554806785.db2.gz	YMQRUWZDDSORAH-JBCNATCCSA-N	0	1	470.497	2.597	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	ZINC000008987574	554850147	/nfs/dbraw/zinc/85/01/47/554850147.db2.gz	ZTYCJMGHETUPEQ-HOGKFDNTSA-N	0	1	470.522	2.704	50	30		JFEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000013550337	555491274	/nfs/dbraw/zinc/49/12/74/555491274.db2.gz	IWMRNEKEUBONNS-HXUWFJFHSA-N	0	1	453.451	2.506	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C	ZINC000013582071	555520249	/nfs/dbraw/zinc/52/02/49/555520249.db2.gz	XIGXFWSVXLDBSA-JOCHJYFZSA-N	0	1	481.505	2.822	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000019898496	555534149	/nfs/dbraw/zinc/53/41/49/555534149.db2.gz	JJBINJTXVQAKCJ-QFIPXVFZSA-N	0	1	452.507	2.614	50	30		JFEAMN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000013720387	555595985	/nfs/dbraw/zinc/59/59/85/555595985.db2.gz	XIHORWZCJLFVPU-HXUWFJFHSA-N	0	1	458.946	2.601	50	30		JFEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCN(C)C)c1	ZINC000013736195	555606098	/nfs/dbraw/zinc/60/60/98/555606098.db2.gz	ABTHQJOMWDUKTM-OAQYLSRUSA-N	0	1	458.486	2.991	50	30		JFEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000020064635	555624806	/nfs/dbraw/zinc/62/48/06/555624806.db2.gz	XMTKUFZLNPVYKI-QHCPKHFHSA-N	0	1	465.550	2.672	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020100971	555633695	/nfs/dbraw/zinc/63/36/95/555633695.db2.gz	NENJGDBHYWNINN-QHCPKHFHSA-N	0	1	482.533	2.710	50	30		JFEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020136313	555660762	/nfs/dbraw/zinc/66/07/62/555660762.db2.gz	VLQYKHPAFNABAA-QFIPXVFZSA-N	0	1	470.497	2.753	50	30		JFEAMN
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	ZINC000020175565	555681584	/nfs/dbraw/zinc/68/15/84/555681584.db2.gz	IAWPXPJCELJACP-JVMOKEISSA-N	0	1	488.493	2.875	50	30		JFEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020190742	555691781	/nfs/dbraw/zinc/69/17/81/555691781.db2.gz	DFVGLWAXRFCSBG-HSZRJFAPSA-N	0	1	482.533	2.623	50	30		JFEAMN
CCOc1ccc([C@H]2C(C(=O)C=Cc3ccco3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020218900	555712827	/nfs/dbraw/zinc/71/28/27/555712827.db2.gz	WBGGXSFEZDUWQY-UROCCOEBSA-N	0	1	482.533	2.997	50	30		JFEAMN
Cc1cc(C)nc(NC(=NCCc2c[nH+]c[nH]2)NC([O-])=CSc2nc3ccccc3o2)n1	ZINC000020353297	555780945	/nfs/dbraw/zinc/78/09/45/555780945.db2.gz	VBBQPKHTPHDSFJ-UHFFFAOYSA-N	0	1	450.528	2.877	50	30		JFEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1	ZINC000012757909	556108507	/nfs/dbraw/zinc/10/85/07/556108507.db2.gz	JRKOSYSTZIJHAG-NRFANRHFSA-N	0	1	470.522	2.861	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(O)c2)cc1	ZINC000017058666	556214723	/nfs/dbraw/zinc/21/47/23/556214723.db2.gz	CRMCNWWBFKISEE-NRFANRHFSA-N	0	1	488.562	2.647	50	30		JFEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)cc1C	ZINC000017194854	556238100	/nfs/dbraw/zinc/23/81/00/556238100.db2.gz	KMSIIKVIJWKPRV-QFIPXVFZSA-N	0	1	452.507	2.620	50	30		JFEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)cc1	ZINC000017207351	556241090	/nfs/dbraw/zinc/24/10/90/556241090.db2.gz	NMSURMJGTXUVRE-OAQYLSRUSA-N	0	1	488.562	2.560	50	30		JFEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccccc2)cc1	ZINC000013127211	556342633	/nfs/dbraw/zinc/34/26/33/556342633.db2.gz	JZQXVZRVJXNGRH-OAQYLSRUSA-N	0	1	472.563	2.942	50	30		JFEAMN
C=CCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCN(CC)CC2)SC1=S	ZINC000033920206	569637631	/nfs/dbraw/zinc/63/76/31/569637631.db2.gz	LWMVPORSDVYBRS-SAPNQHFASA-N	0	1	455.609	2.532	50	30		JFEAMN
C=CCC[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4CC)CC3)co2)CC1	ZINC000034677797	569642122	/nfs/dbraw/zinc/64/21/22/569642122.db2.gz	WZHYOKGNCYTJEV-QHCPKHFHSA-N	0	1	481.641	2.644	50	30		JFEAMN
CCOc1cc([C@@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O	ZINC000095201986	569722102	/nfs/dbraw/zinc/72/21/02/569722102.db2.gz	SGGGOYSWCPRGFX-HXUWFJFHSA-N	0	1	457.483	2.526	50	30		JFEAMN
C#CCN1C(=O)[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c32)c2cccc(Cl)c21	ZINC000095474783	569724135	/nfs/dbraw/zinc/72/41/35/569724135.db2.gz	QHRIKZXMXKKIAW-JOCHJYFZSA-N	0	1	458.869	2.758	50	30		JFEAMN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1	ZINC000036249733	569757929	/nfs/dbraw/zinc/75/79/29/569757929.db2.gz	JJAXHNJWDJVYCW-VXKWHMMOSA-N	0	1	475.561	2.862	50	30		JFEAMN
CCOC(=O)[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21	ZINC000100910822	569775196	/nfs/dbraw/zinc/77/51/96/569775196.db2.gz	XQLGFDHONDELJD-BXWFABGCSA-N	0	1	499.306	2.967	50	30		JFEAMN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102873968	569826177	/nfs/dbraw/zinc/82/61/77/569826177.db2.gz	OXMSXEMFJCKVEQ-AYWGPLOBSA-N	0	1	466.534	2.848	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c1C	ZINC000102876020	569826367	/nfs/dbraw/zinc/82/63/67/569826367.db2.gz	SPUGKTIHOVMTEC-IAMBOQNYSA-N	0	1	481.549	2.562	50	30		JFEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c1C	ZINC000102876015	569826481	/nfs/dbraw/zinc/82/64/81/569826481.db2.gz	SPUGKTIHOVMTEC-HFEWCJDKSA-N	0	1	481.549	2.562	50	30		JFEAMN
Cc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)C(=O)C(=O)N2CCN2CCOCC2)o1	ZINC000102930758	569828251	/nfs/dbraw/zinc/82/82/51/569828251.db2.gz	QOARPYGXCAANJH-OBVHCKHUSA-N	0	1	464.522	2.606	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCN(C)C)cc1OC	ZINC000102931965	569828632	/nfs/dbraw/zinc/82/86/32/569828632.db2.gz	JSTZPXNEODWWLO-IAMBOQNYSA-N	0	1	464.522	2.643	50	30		JFEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000104233028	569843633	/nfs/dbraw/zinc/84/36/33/569843633.db2.gz	JEZPRTNRXGRIOT-ZHHPLPSFSA-N	0	1	466.534	2.766	50	30		JFEAMN
C#CCOC[C@@H](O)CN(CCCOC)CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1	ZINC000105003740	569849504	/nfs/dbraw/zinc/84/95/04/569849504.db2.gz	BXZMNULLCJETOR-XUZZJYLKSA-N	0	1	486.634	2.602	50	30		JFEAMN
C#CCOC[C@H](O)CN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(F)c1)C1CC1	ZINC000245327407	570065308	/nfs/dbraw/zinc/06/53/08/570065308.db2.gz	IYXQFIPECBRFKV-NFBKMPQASA-N	0	1	472.582	2.867	50	30		JFEAMN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1	ZINC000253377528	570095269	/nfs/dbraw/zinc/09/52/69/570095269.db2.gz	XJHKJEXWAYXENS-VQTJNVASSA-N	0	1	475.561	2.862	50	30		JFEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NC3CCCCC3)C1=O)O2	ZINC000253414915	570098701	/nfs/dbraw/zinc/09/87/01/570098701.db2.gz	ZBFJIOSGNBHHME-WGKDYUSESA-N	0	1	482.533	2.607	50	30	biogenic	JFEAMN