smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(F)cc1	ZINC000001105745	551609950	/nfs/dbraw/zinc/60/99/50/551609950.db2.gz	RNBGPCUPYXXWHO-OFNKIYASSA-N	0	1	514.575	3.368	50	30		KGEAMN
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(F)cc1	ZINC000001105746	551609921	/nfs/dbraw/zinc/60/99/21/551609921.db2.gz	RNBGPCUPYXXWHO-NFBKMPQASA-N	0	1	514.575	3.368	50	30		KGEAMN
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(F)cc1	ZINC000001105747	551609852	/nfs/dbraw/zinc/60/98/52/551609852.db2.gz	RNBGPCUPYXXWHO-REWPJTCUSA-N	0	1	514.575	3.368	50	30		KGEAMN
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1	ZINC000001105748	551610093	/nfs/dbraw/zinc/61/00/93/551610093.db2.gz	RNBGPCUPYXXWHO-NZQKXSOJSA-N	0	1	514.575	3.368	50	30		KGEAMN
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(F)cc1	ZINC000001105751	551610131	/nfs/dbraw/zinc/61/01/31/551610131.db2.gz	MMIMQCFDVLMFGS-DEOSSOPVSA-N	0	1	538.601	3.475	50	30		KGEAMN
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(F)cc1	ZINC000001105752	551610152	/nfs/dbraw/zinc/61/01/52/551610152.db2.gz	MMIMQCFDVLMFGS-XMMPIXPASA-N	0	1	538.601	3.475	50	30		KGEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1	ZINC000001110176	551611088	/nfs/dbraw/zinc/61/10/88/551611088.db2.gz	VEOJJKBKFOPHCB-QFIPXVFZSA-N	0	1	529.387	3.478	50	30		KGEAMN
O=C(c1ccc2c(c1)OCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1	ZINC000001110177	551611091	/nfs/dbraw/zinc/61/10/91/551611091.db2.gz	VEOJJKBKFOPHCB-JOCHJYFZSA-N	0	1	529.387	3.478	50	30		KGEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000001152994	551619378	/nfs/dbraw/zinc/61/93/78/551619378.db2.gz	YXWMITSQJXVPHY-NRFANRHFSA-N	0	1	531.403	3.377	50	30		KGEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1OC	ZINC000001152995	551619369	/nfs/dbraw/zinc/61/93/69/551619369.db2.gz	YXWMITSQJXVPHY-OAQYLSRUSA-N	0	1	531.403	3.377	50	30		KGEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000001261538	551633788	/nfs/dbraw/zinc/63/37/88/551633788.db2.gz	JNJRGJYENKYROK-QFIPXVFZSA-N	0	1	531.403	3.464	50	30		KGEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000001261539	551633761	/nfs/dbraw/zinc/63/37/61/551633761.db2.gz	JNJRGJYENKYROK-JOCHJYFZSA-N	0	1	531.403	3.464	50	30		KGEAMN
COc1cc(C=NNc2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)cc(OC)c1OC	ZINC000001283150	551636757	/nfs/dbraw/zinc/63/67/57/551636757.db2.gz	HXJBTZAMKYAEML-LUOAPIJWSA-N	0	1	547.399	3.261	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C	ZINC000001451588	552077976	/nfs/dbraw/zinc/07/79/76/552077976.db2.gz	WVAOMKMXTFLHHB-QFIPXVFZSA-N	0	1	560.445	3.481	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C	ZINC000001451589	552078005	/nfs/dbraw/zinc/07/80/05/552078005.db2.gz	WVAOMKMXTFLHHB-JOCHJYFZSA-N	0	1	560.445	3.481	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1C	ZINC000001451602	552077937	/nfs/dbraw/zinc/07/79/37/552077937.db2.gz	OUSIIKLMNGZLHG-NRFANRHFSA-N	0	1	546.418	3.091	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C	ZINC000001451603	552077902	/nfs/dbraw/zinc/07/79/02/552077902.db2.gz	OUSIIKLMNGZLHG-OAQYLSRUSA-N	0	1	546.418	3.091	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C	ZINC000001451604	552077941	/nfs/dbraw/zinc/07/79/41/552077941.db2.gz	FZJRPEZAWBPVFE-NRFANRHFSA-N	0	1	546.418	3.091	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C	ZINC000001451605	552077957	/nfs/dbraw/zinc/07/79/57/552077957.db2.gz	FZJRPEZAWBPVFE-OAQYLSRUSA-N	0	1	546.418	3.091	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000001477151	551681250	/nfs/dbraw/zinc/68/12/50/551681250.db2.gz	UMDDNOAHMBYEDF-VWLOTQADSA-N	0	1	510.587	3.321	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000001477152	551681177	/nfs/dbraw/zinc/68/11/77/551681177.db2.gz	UMDDNOAHMBYEDF-RUZDIDTESA-N	0	1	510.587	3.321	50	30		KGEAMN
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1	ZINC000002177514	551783761	/nfs/dbraw/zinc/78/37/61/551783761.db2.gz	WWQVQEAUCKSSRM-XNTDXEJSSA-N	0	1	527.411	3.093	50	30		KGEAMN
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1	ZINC000002709395	552160700	/nfs/dbraw/zinc/16/07/00/552160700.db2.gz	SVXOJHPRARGMHU-UHFFFAOYSA-N	0	1	527.628	3.201	50	30		KGEAMN
C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)nnc1-c1cccnc1	ZINC000003618030	552392654	/nfs/dbraw/zinc/39/26/54/552392654.db2.gz	NRHOJFNFEGIYOX-UHFFFAOYSA-N	0	1	536.643	3.465	50	30		KGEAMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000004195830	552447950	/nfs/dbraw/zinc/44/79/50/552447950.db2.gz	HSVXJVVVAXYIKU-WPWMEQJKSA-N	0	1	548.629	3.401	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c1C	ZINC000004391665	552458404	/nfs/dbraw/zinc/45/84/04/552458404.db2.gz	KXFAFUNPGLMTAR-QHCPKHFHSA-N	0	1	513.566	3.248	50	30		KGEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O	ZINC000005295044	552496548	/nfs/dbraw/zinc/49/65/48/552496548.db2.gz	KJPYGTIXORLIDI-AQHIEDMUSA-N	0	1	548.195	3.148	50	30		KGEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1	ZINC000005356411	552499393	/nfs/dbraw/zinc/49/93/93/552499393.db2.gz	KDEAJDUHMCZYQP-BRJLIKDPSA-N	0	1	511.380	3.008	50	30		KGEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000005356789	552499267	/nfs/dbraw/zinc/49/92/67/552499267.db2.gz	MCPHCGOKUWPQGS-VROXFSQNSA-N	0	1	517.771	3.050	50	30		KGEAMN
COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc(Br)c1O	ZINC000005358026	1059669489	/nfs/dbraw/zinc/66/94/89/1059669489.db2.gz	SSUKCSANOVXGAU-UHFFFAOYSA-N	0	1	547.797	3.058	50	30		KGEAMN
COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl	ZINC000005358037	552499656	/nfs/dbraw/zinc/49/96/56/552499656.db2.gz	VJUQLIZTFKFBRA-OPEKNORGSA-N	0	1	531.798	3.353	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Br)c1	ZINC000006023850	552520641	/nfs/dbraw/zinc/52/06/41/552520641.db2.gz	NQQKWUYOJJBUDF-HXUWFJFHSA-N	0	1	537.432	3.314	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Br)c1	ZINC000006023851	552520617	/nfs/dbraw/zinc/52/06/17/552520617.db2.gz	NQQKWUYOJJBUDF-FQEVSTJZSA-N	0	1	537.432	3.314	50	30		KGEAMN
COc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)cc2)c(OC)c1	ZINC000006076834	552527656	/nfs/dbraw/zinc/52/76/56/552527656.db2.gz	IDUOIXNYZAYMLY-VAWYXSNFSA-N	0	1	500.533	3.120	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000006079769	552529854	/nfs/dbraw/zinc/52/98/54/552529854.db2.gz	RWSPWPMIAGKSEU-FQEVSTJZSA-N	0	1	537.432	3.314	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Br)cc1	ZINC000006079771	552529847	/nfs/dbraw/zinc/52/98/47/552529847.db2.gz	RWSPWPMIAGKSEU-HXUWFJFHSA-N	0	1	537.432	3.314	50	30		KGEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)ccc1O	ZINC000006079952	552530089	/nfs/dbraw/zinc/53/00/89/552530089.db2.gz	JNLBHJKQTHJBDF-DEOSSOPVSA-N	0	1	544.626	3.190	50	30		KGEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)ccc1O	ZINC000006079954	552530052	/nfs/dbraw/zinc/53/00/52/552530052.db2.gz	JNLBHJKQTHJBDF-XMMPIXPASA-N	0	1	544.626	3.190	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000006143945	552545410	/nfs/dbraw/zinc/54/54/10/552545410.db2.gz	CGIWZAQZMULSEX-OAQYLSRUSA-N	0	1	501.377	3.368	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000006143946	552545385	/nfs/dbraw/zinc/54/53/85/552545385.db2.gz	CGIWZAQZMULSEX-NRFANRHFSA-N	0	1	501.377	3.368	50	30		KGEAMN
C=CCn1c(CSc2nc(N)cc(N)n2)nnc1SCC(=O)Nc1sc(C)c(C)c1C(=O)OCC	ZINC000006147789	552549200	/nfs/dbraw/zinc/54/92/00/552549200.db2.gz	WXGWRFDTVHDGSZ-UHFFFAOYSA-N	0	1	534.693	3.297	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000006173481	552558964	/nfs/dbraw/zinc/55/89/64/552558964.db2.gz	PLWAMMJMZRXSNN-QHCPKHFHSA-N	0	1	592.512	3.000	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000006173482	552558985	/nfs/dbraw/zinc/55/89/85/552558985.db2.gz	PLWAMMJMZRXSNN-HSZRJFAPSA-N	0	1	592.512	3.000	50	30		KGEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008383691	552987160	/nfs/dbraw/zinc/98/71/60/552987160.db2.gz	BGHZBFANBLRGNE-RUZDIDTESA-N	0	1	508.571	3.157	50	30		KGEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008383695	552987150	/nfs/dbraw/zinc/98/71/50/552987150.db2.gz	BGHZBFANBLRGNE-VWLOTQADSA-N	0	1	508.571	3.157	50	30		KGEAMN
Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)c(/C=N/N=C2\NC(=O)C(C)S2)c1	ZINC000008387241	552993641	/nfs/dbraw/zinc/99/36/41/552993641.db2.gz	AYZQBMKWVVUACR-QDBSGRMGSA-N	0	1	529.381	3.309	50	30		KGEAMN
Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)c(/C=N/N=C2\NC(=O)C(C)S2)c1	ZINC000008387243	552993669	/nfs/dbraw/zinc/99/36/69/552993669.db2.gz	AYZQBMKWVVUACR-HMASQMOLSA-N	0	1	529.381	3.309	50	30		KGEAMN
Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)NN(c2ccc(I)cc2)C1=O	ZINC000008435022	553029606	/nfs/dbraw/zinc/02/96/06/553029606.db2.gz	IQHOQFLOZITFFA-YBEGLDIGSA-N	0	1	535.301	3.439	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC	ZINC000008441420	553040721	/nfs/dbraw/zinc/04/07/21/553040721.db2.gz	QRPPQTRHDSWEFR-GAJHUEQPSA-N	0	1	511.527	3.241	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC	ZINC000008441423	553040733	/nfs/dbraw/zinc/04/07/33/553040733.db2.gz	QRPPQTRHDSWEFR-SBUREZEXSA-N	0	1	511.527	3.241	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC	ZINC000008441429	553040644	/nfs/dbraw/zinc/04/06/44/553040644.db2.gz	QRPPQTRHDSWEFR-UZUQRXQVSA-N	0	1	511.527	3.241	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC	ZINC000008441435	553040649	/nfs/dbraw/zinc/04/06/49/553040649.db2.gz	QRPPQTRHDSWEFR-HXOBKFHXSA-N	0	1	511.527	3.241	50	30		KGEAMN
CC(C)(C)CNC(=S)N/N=C/c1cc(I)cc(I)c1O	ZINC000008626571	553104193	/nfs/dbraw/zinc/10/41/93/553104193.db2.gz	WVODUSGSRQBLSE-UBKPWBPPSA-N	0	1	517.174	3.446	50	30		KGEAMN
N=C(CCN(Cc1ccco1)S(=O)(=O)c1cccc2nsnc21)NOC(=O)Nc1ccccc1	ZINC000008648560	553107023	/nfs/dbraw/zinc/10/70/23/553107023.db2.gz	WFXTYIWJGPFESD-UHFFFAOYSA-N	0	1	500.562	3.386	50	30		KGEAMN
N#CCCN(C(=O)COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	ZINC000008686624	553115610	/nfs/dbraw/zinc/11/56/10/553115610.db2.gz	BPVPAOLSJAXSPV-UHFFFAOYSA-N	0	1	508.512	3.499	50	30	aggregator	KGEAMN
COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(OC)c(OC)c3)cc2)nc(OC)n1	ZINC000008690294	553117113	/nfs/dbraw/zinc/11/71/13/553117113.db2.gz	RYMWLGRFYPITEC-QXMHVHEDSA-N	0	1	500.533	3.120	50	30		KGEAMN
COc1ccc2c(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3nnnn3-c3ccccc3)c[nH]c2c1	ZINC000008758618	553137007	/nfs/dbraw/zinc/13/70/07/553137007.db2.gz	MUQPWIOLESNFEH-UHFFFAOYSA-N	0	1	556.656	3.478	50	30		KGEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccc(OC)cc2)CC1	ZINC000008766631	553138872	/nfs/dbraw/zinc/13/88/72/553138872.db2.gz	GXDAUPOYOXZUKP-JOCHJYFZSA-N	0	1	501.587	3.384	50	30		KGEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccc(OC)cc2)CC1	ZINC000008766634	553139136	/nfs/dbraw/zinc/13/91/36/553139136.db2.gz	GXDAUPOYOXZUKP-QFIPXVFZSA-N	0	1	501.587	3.384	50	30		KGEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008779135	553144019	/nfs/dbraw/zinc/14/40/19/553144019.db2.gz	GMQKIQDBQRHRQO-XMMPIXPASA-N	0	1	508.571	3.171	50	30		KGEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008779136	553144028	/nfs/dbraw/zinc/14/40/28/553144028.db2.gz	GMQKIQDBQRHRQO-DEOSSOPVSA-N	0	1	508.571	3.171	50	30		KGEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O	ZINC000008816616	553152079	/nfs/dbraw/zinc/15/20/79/553152079.db2.gz	GBJVJOYQWBAPFV-NUGSKGIGSA-N	0	1	503.744	3.039	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000008816789	553152127	/nfs/dbraw/zinc/15/21/27/553152127.db2.gz	GNULGJKOWDJUTF-DEOSSOPVSA-N	0	1	520.586	3.346	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000008816790	553152111	/nfs/dbraw/zinc/15/21/11/553152111.db2.gz	GNULGJKOWDJUTF-XMMPIXPASA-N	0	1	520.586	3.346	50	30		KGEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000008826828	553156393	/nfs/dbraw/zinc/15/63/93/553156393.db2.gz	ZDRKUMZIVVSJQA-RUZDIDTESA-N	0	1	510.587	3.402	50	30		KGEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000008826829	553156331	/nfs/dbraw/zinc/15/63/31/553156331.db2.gz	ZDRKUMZIVVSJQA-VWLOTQADSA-N	0	1	510.587	3.402	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C	ZINC000008827250	553156777	/nfs/dbraw/zinc/15/67/77/553156777.db2.gz	VFJUDFBBIWFYFM-JOCHJYFZSA-N	0	1	515.994	3.372	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C	ZINC000008827251	553156696	/nfs/dbraw/zinc/15/66/96/553156696.db2.gz	VFJUDFBBIWFYFM-QFIPXVFZSA-N	0	1	515.994	3.372	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C	ZINC000008827325	553156730	/nfs/dbraw/zinc/15/67/30/553156730.db2.gz	KWICKKWVUNXJER-XMMPIXPASA-N	0	1	509.603	3.417	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C	ZINC000008827326	553156645	/nfs/dbraw/zinc/15/66/45/553156645.db2.gz	KWICKKWVUNXJER-DEOSSOPVSA-N	0	1	509.603	3.417	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C	ZINC000008833968	553160534	/nfs/dbraw/zinc/16/05/34/553160534.db2.gz	RUZQZNQYVXJXOP-JOCHJYFZSA-N	0	1	515.994	3.372	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C	ZINC000008833969	553160550	/nfs/dbraw/zinc/16/05/50/553160550.db2.gz	RUZQZNQYVXJXOP-QFIPXVFZSA-N	0	1	515.994	3.372	50	30		KGEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1	ZINC000008836810	553163500	/nfs/dbraw/zinc/16/35/00/553163500.db2.gz	QCAWVMVPYWZRGL-SBXHHDGASA-N	0	1	511.644	3.153	50	30		KGEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1	ZINC000008836811	553163424	/nfs/dbraw/zinc/16/34/24/553163424.db2.gz	QCAWVMVPYWZRGL-NXLSWJSLSA-N	0	1	511.644	3.153	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C	ZINC000008837516	553164003	/nfs/dbraw/zinc/16/40/03/553164003.db2.gz	ANURTICUQCQNEB-JOCHJYFZSA-N	0	1	515.994	3.372	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000008838145	553164931	/nfs/dbraw/zinc/16/49/31/553164931.db2.gz	ZSGVKLCFAMGGFL-RUZDIDTESA-N	0	1	510.587	3.321	50	30		KGEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008858476	553169330	/nfs/dbraw/zinc/16/93/30/553169330.db2.gz	WZTUMGCKAMRGOT-RUZDIDTESA-N	0	1	510.587	3.403	50	30		KGEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008858477	553169301	/nfs/dbraw/zinc/16/93/01/553169301.db2.gz	WZTUMGCKAMRGOT-VWLOTQADSA-N	0	1	510.587	3.403	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000008859341	553169297	/nfs/dbraw/zinc/16/92/97/553169297.db2.gz	MDJIZYANRYBKKH-RUZDIDTESA-N	0	1	510.587	3.403	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000008859342	553169336	/nfs/dbraw/zinc/16/93/36/553169336.db2.gz	MDJIZYANRYBKKH-VWLOTQADSA-N	0	1	510.587	3.403	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008859404	553169323	/nfs/dbraw/zinc/16/93/23/553169323.db2.gz	BBDYKWSASLBTJY-VWLOTQADSA-N	0	1	508.571	3.179	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000008859413	553169614	/nfs/dbraw/zinc/16/96/14/553169614.db2.gz	LITXZRQEWUWXBW-OAQYLSRUSA-N	0	1	501.923	3.167	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000008859414	553169604	/nfs/dbraw/zinc/16/96/04/553169604.db2.gz	LITXZRQEWUWXBW-NRFANRHFSA-N	0	1	501.923	3.167	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000008859422	553169610	/nfs/dbraw/zinc/16/96/10/553169610.db2.gz	CPSNBAIOSPQWRD-QFIPXVFZSA-N	0	1	516.978	3.276	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000008859433	553169634	/nfs/dbraw/zinc/16/96/34/553169634.db2.gz	XULIVTVFTZHHQQ-OAQYLSRUSA-N	0	1	501.923	3.167	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000008859434	553169674	/nfs/dbraw/zinc/16/96/74/553169674.db2.gz	XULIVTVFTZHHQQ-NRFANRHFSA-N	0	1	501.923	3.167	50	30		KGEAMN
Brc1ccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1	ZINC000008872025	553171968	/nfs/dbraw/zinc/17/19/68/553171968.db2.gz	OECPQLAFYIBSDA-BUVRLJJBSA-N	0	1	514.384	3.013	50	30		KGEAMN
Oc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1	ZINC000008872383	553173333	/nfs/dbraw/zinc/17/33/33/553173333.db2.gz	MYCGGPJWWUJILY-WSDLNYQXSA-N	0	1	541.248	3.375	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000008892617	553176712	/nfs/dbraw/zinc/17/67/12/553176712.db2.gz	PJDMOQIWSVIHCL-NPJIAGGLSA-N	0	1	508.571	3.023	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000008892916	553177013	/nfs/dbraw/zinc/17/70/13/553177013.db2.gz	PPNKDDNXQJVMLU-RUZDIDTESA-N	0	1	510.587	3.403	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000008892918	553176998	/nfs/dbraw/zinc/17/69/98/553176998.db2.gz	PPNKDDNXQJVMLU-VWLOTQADSA-N	0	1	510.587	3.403	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C	ZINC000008893014	553176991	/nfs/dbraw/zinc/17/69/91/553176991.db2.gz	JGTLRTWBMQHBAU-DEOSSOPVSA-N	0	1	509.603	3.452	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C	ZINC000008893028	553176972	/nfs/dbraw/zinc/17/69/72/553176972.db2.gz	JGTLRTWBMQHBAU-XMMPIXPASA-N	0	1	509.603	3.452	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000008897088	553179393	/nfs/dbraw/zinc/17/93/93/553179393.db2.gz	JOXHDQZDWYVSRZ-RUZDIDTESA-N	0	1	508.571	3.157	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000008897095	553179329	/nfs/dbraw/zinc/17/93/29/553179329.db2.gz	JOXHDQZDWYVSRZ-VWLOTQADSA-N	0	1	508.571	3.157	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008897280	553179631	/nfs/dbraw/zinc/17/96/31/553179631.db2.gz	KMBLUFPFPAXUQX-RUZDIDTESA-N	0	1	502.571	3.100	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000008897283	553179714	/nfs/dbraw/zinc/17/97/14/553179714.db2.gz	KMBLUFPFPAXUQX-VWLOTQADSA-N	0	1	502.571	3.100	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000008901386	553182101	/nfs/dbraw/zinc/18/21/01/553182101.db2.gz	ULPVSCYBQKRBIH-HOGKFDNTSA-N	0	1	516.978	3.120	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000008904557	553183701	/nfs/dbraw/zinc/18/37/01/553183701.db2.gz	ZSGVKLCFAMGGFL-VWLOTQADSA-N	0	1	510.587	3.321	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1C	ZINC000008905480	553183714	/nfs/dbraw/zinc/18/37/14/553183714.db2.gz	WKNPADFRNKSFHQ-QHCPKHFHSA-N	0	1	513.566	3.248	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C	ZINC000008905484	553184094	/nfs/dbraw/zinc/18/40/94/553184094.db2.gz	WKNPADFRNKSFHQ-HSZRJFAPSA-N	0	1	513.566	3.248	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1C	ZINC000008934755	553193231	/nfs/dbraw/zinc/19/32/31/553193231.db2.gz	KXFAFUNPGLMTAR-HSZRJFAPSA-N	0	1	513.566	3.248	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000008996393	553197185	/nfs/dbraw/zinc/19/71/85/553197185.db2.gz	NHVLFIRXDYFYDF-SBXHHDGASA-N	0	1	508.571	3.023	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000008996394	553197208	/nfs/dbraw/zinc/19/72/08/553197208.db2.gz	NHVLFIRXDYFYDF-NXLSWJSLSA-N	0	1	508.571	3.023	50	30		KGEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000009015254	553200335	/nfs/dbraw/zinc/20/03/35/553200335.db2.gz	MPWYPZUPNLOZRK-DEOSSOPVSA-N	0	1	526.561	3.310	50	30		KGEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000009015255	553200407	/nfs/dbraw/zinc/20/04/07/553200407.db2.gz	MPWYPZUPNLOZRK-XMMPIXPASA-N	0	1	526.561	3.310	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c1C	ZINC000009041492	553202284	/nfs/dbraw/zinc/20/22/84/553202284.db2.gz	YZTXEXVWWOKDGO-XMMPIXPASA-N	0	1	525.602	3.117	50	30		KGEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000009041772	553202512	/nfs/dbraw/zinc/20/25/12/553202512.db2.gz	SAYHCMSPMVOTMC-ZHHPLPSFSA-N	0	1	516.978	3.120	50	30		KGEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000009041776	553202412	/nfs/dbraw/zinc/20/24/12/553202412.db2.gz	SAYHCMSPMVOTMC-AYWGPLOBSA-N	0	1	516.978	3.120	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl	ZINC000009045884	553203566	/nfs/dbraw/zinc/20/35/66/553203566.db2.gz	ARVGDOUIXHFKSB-JBCNATCCSA-N	0	1	504.967	3.358	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl	ZINC000009045887	553203549	/nfs/dbraw/zinc/20/35/49/553203549.db2.gz	ARVGDOUIXHFKSB-MRJHHRETSA-N	0	1	504.967	3.358	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000009065277	553205948	/nfs/dbraw/zinc/20/59/48/553205948.db2.gz	ZTSHVVJVVIJPCA-ZHHPLPSFSA-N	0	1	516.978	3.120	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000009065280	553205906	/nfs/dbraw/zinc/20/59/06/553205906.db2.gz	ZTSHVVJVVIJPCA-AYWGPLOBSA-N	0	1	516.978	3.120	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000009070664	553207104	/nfs/dbraw/zinc/20/71/04/553207104.db2.gz	QWVNDELAXBMOEZ-CZNAVJSXSA-N	0	1	516.598	3.333	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009088001	553208781	/nfs/dbraw/zinc/20/87/81/553208781.db2.gz	XORVXNJBLJJTAX-JOCHJYFZSA-N	0	1	500.617	3.459	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009088002	553208719	/nfs/dbraw/zinc/20/87/19/553208719.db2.gz	XORVXNJBLJJTAX-QFIPXVFZSA-N	0	1	500.617	3.459	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2)c1C	ZINC000009122180	553212060	/nfs/dbraw/zinc/21/20/60/553212060.db2.gz	WLSSYNPWKJJAJT-DEOSSOPVSA-N	0	1	525.602	3.117	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2)c1C	ZINC000009122181	553212079	/nfs/dbraw/zinc/21/20/79/553212079.db2.gz	WLSSYNPWKJJAJT-XMMPIXPASA-N	0	1	525.602	3.117	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c1C	ZINC000009135508	553213426	/nfs/dbraw/zinc/21/34/26/553213426.db2.gz	YZTXEXVWWOKDGO-DEOSSOPVSA-N	0	1	525.602	3.117	50	30		KGEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009184898	553216999	/nfs/dbraw/zinc/21/69/99/553216999.db2.gz	CRZFTGPHJPQLTN-NPJIAGGLSA-N	0	1	510.587	3.247	50	30		KGEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009184899	553217036	/nfs/dbraw/zinc/21/70/36/553217036.db2.gz	CRZFTGPHJPQLTN-IUKMQXEJSA-N	0	1	510.587	3.247	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)cc1	ZINC000009210873	553220929	/nfs/dbraw/zinc/22/09/29/553220929.db2.gz	OUKSKTVJYNWBQS-HSZRJFAPSA-N	0	1	514.600	3.182	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1	ZINC000009210874	553220886	/nfs/dbraw/zinc/22/08/86/553220886.db2.gz	OUKSKTVJYNWBQS-QHCPKHFHSA-N	0	1	514.600	3.182	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009233722	553224566	/nfs/dbraw/zinc/22/45/66/553224566.db2.gz	DWUNBRCSXKQJMA-QHCPKHFHSA-N	0	1	515.607	3.140	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009233725	553224543	/nfs/dbraw/zinc/22/45/43/553224543.db2.gz	DWUNBRCSXKQJMA-HSZRJFAPSA-N	0	1	515.607	3.140	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000009241180	553226356	/nfs/dbraw/zinc/22/63/56/553226356.db2.gz	QWVNDELAXBMOEZ-CJJGVWJISA-N	0	1	516.598	3.333	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C	ZINC000009271138	553230491	/nfs/dbraw/zinc/23/04/91/553230491.db2.gz	XFOVVFLBPOAFMX-IBGZPJMESA-N	0	1	504.381	3.321	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C	ZINC000009271138	553230487	/nfs/dbraw/zinc/23/04/87/553230487.db2.gz	XFOVVFLBPOAFMX-IBGZPJMESA-N	0	1	504.381	3.321	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C	ZINC000009271140	553230562	/nfs/dbraw/zinc/23/05/62/553230562.db2.gz	XFOVVFLBPOAFMX-LJQANCHMSA-N	0	1	504.381	3.321	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C	ZINC000009271140	553230559	/nfs/dbraw/zinc/23/05/59/553230559.db2.gz	XFOVVFLBPOAFMX-LJQANCHMSA-N	0	1	504.381	3.321	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009271476	553231013	/nfs/dbraw/zinc/23/10/13/553231013.db2.gz	CEKSCKVJBJJZQL-QHCPKHFHSA-N	0	1	522.558	3.300	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000009271477	553231080	/nfs/dbraw/zinc/23/10/80/553231080.db2.gz	CEKSCKVJBJJZQL-HSZRJFAPSA-N	0	1	522.558	3.300	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C	ZINC000009271559	553231088	/nfs/dbraw/zinc/23/10/88/553231088.db2.gz	VITBVRCLYJATSX-IBGZPJMESA-N	0	1	504.381	3.321	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C	ZINC000009271559	553231086	/nfs/dbraw/zinc/23/10/86/553231086.db2.gz	VITBVRCLYJATSX-IBGZPJMESA-N	0	1	504.381	3.321	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C	ZINC000009271560	553231052	/nfs/dbraw/zinc/23/10/52/553231052.db2.gz	VITBVRCLYJATSX-LJQANCHMSA-N	0	1	504.381	3.321	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C	ZINC000009271560	553231051	/nfs/dbraw/zinc/23/10/51/553231051.db2.gz	VITBVRCLYJATSX-LJQANCHMSA-N	0	1	504.381	3.321	50	30		KGEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@H]3c3cc(OC)c(OC)c(OC)c3)oc21	ZINC000009302100	553236104	/nfs/dbraw/zinc/23/61/04/553236104.db2.gz	KJLYJQAYQGKWOF-MOBKVPTQSA-N	0	1	510.543	3.451	50	30		KGEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000009311956	553239939	/nfs/dbraw/zinc/23/99/39/553239939.db2.gz	VYKPPBYHJMJOMU-SIBVEZHUSA-N	0	1	505.615	3.377	50	30		KGEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000009311957	553239864	/nfs/dbraw/zinc/23/98/64/553239864.db2.gz	VYKPPBYHJMJOMU-NIYFSFCBSA-N	0	1	505.615	3.377	50	30		KGEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000009311958	553239854	/nfs/dbraw/zinc/23/98/54/553239854.db2.gz	VYKPPBYHJMJOMU-AFMDSPMNSA-N	0	1	505.615	3.377	50	30		KGEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000009312287	553240343	/nfs/dbraw/zinc/24/03/43/553240343.db2.gz	ZGMXJAZKDVKDDR-CJJGVWJISA-N	0	1	520.582	3.167	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000009312865	553240720	/nfs/dbraw/zinc/24/07/20/553240720.db2.gz	LTZGTGVUIVAGLM-VWLOTQADSA-N	0	1	510.587	3.407	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000009312866	553240718	/nfs/dbraw/zinc/24/07/18/553240718.db2.gz	LTZGTGVUIVAGLM-RUZDIDTESA-N	0	1	510.587	3.407	50	30		KGEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000009312907	553240708	/nfs/dbraw/zinc/24/07/08/553240708.db2.gz	IFABLQCFUDOIQD-NPJIAGGLSA-N	0	1	510.587	3.252	50	30		KGEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000009312908	553240702	/nfs/dbraw/zinc/24/07/02/553240702.db2.gz	IFABLQCFUDOIQD-IUKMQXEJSA-N	0	1	510.587	3.252	50	30		KGEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000009312956	553240733	/nfs/dbraw/zinc/24/07/33/553240733.db2.gz	VYKPPBYHJMJOMU-BCHFMIIMSA-N	0	1	505.615	3.377	50	30		KGEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000009313072	553240952	/nfs/dbraw/zinc/24/09/52/553240952.db2.gz	ZGMXJAZKDVKDDR-CZNAVJSXSA-N	0	1	520.582	3.167	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1	ZINC000009328991	553242257	/nfs/dbraw/zinc/24/22/57/553242257.db2.gz	HXBXCHPMSULSGE-JOCHJYFZSA-N	0	1	502.564	3.225	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(OC)c1	ZINC000009329141	553242243	/nfs/dbraw/zinc/24/22/43/553242243.db2.gz	YPGCNJDJOJOVQN-XMMPIXPASA-N	0	1	528.627	3.485	50	30		KGEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1	ZINC000009334163	553243153	/nfs/dbraw/zinc/24/31/53/553243153.db2.gz	KDKZXHULHGUMRV-JBCNATCCSA-N	0	1	501.377	3.212	50	30		KGEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1	ZINC000009334164	553243148	/nfs/dbraw/zinc/24/31/48/553243148.db2.gz	KDKZXHULHGUMRV-MRJHHRETSA-N	0	1	501.377	3.212	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000009334379	553243116	/nfs/dbraw/zinc/24/31/16/553243116.db2.gz	PVFNOVVCNIYXPN-YDJIHCHBSA-N	0	1	516.348	3.111	50	30		KGEAMN
COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)[C@@H]3c3cc(OC)c(OC)c(OC)c3)oc21	ZINC000009339556	553243492	/nfs/dbraw/zinc/24/34/92/553243492.db2.gz	KJLYJQAYQGKWOF-HOGKFDNTSA-N	0	1	510.543	3.451	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1	ZINC000009349742	553244958	/nfs/dbraw/zinc/24/49/58/553244958.db2.gz	CZZRGUNEEMWUCI-QFIPXVFZSA-N	0	1	502.589	3.038	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009349749	553244920	/nfs/dbraw/zinc/24/49/20/553244920.db2.gz	CZZRGUNEEMWUCI-JOCHJYFZSA-N	0	1	502.589	3.038	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000009353498	553245655	/nfs/dbraw/zinc/24/56/55/553245655.db2.gz	PVFNOVVCNIYXPN-NHFXJNLRSA-N	0	1	516.348	3.111	50	30		KGEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000009354192	553245772	/nfs/dbraw/zinc/24/57/72/553245772.db2.gz	JVTKDUMDWUJELT-CJJGVWJISA-N	0	1	522.598	3.391	50	30		KGEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000009354195	553245741	/nfs/dbraw/zinc/24/57/41/553245741.db2.gz	JVTKDUMDWUJELT-CZNAVJSXSA-N	0	1	522.598	3.391	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009357067	553246761	/nfs/dbraw/zinc/24/67/61/553246761.db2.gz	GOIXTTBREZRLLD-NPJIAGGLSA-N	0	1	508.571	3.110	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000009357171	553246757	/nfs/dbraw/zinc/24/67/57/553246757.db2.gz	QESZCLKEZRXXTC-NPJIAGGLSA-N	0	1	508.571	3.023	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000009357175	553246685	/nfs/dbraw/zinc/24/66/85/553246685.db2.gz	QESZCLKEZRXXTC-IUKMQXEJSA-N	0	1	508.571	3.023	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000009357251	553246945	/nfs/dbraw/zinc/24/69/45/553246945.db2.gz	UEPWYTUWWIFRGX-XMMPIXPASA-N	0	1	528.627	3.056	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1	ZINC000009358079	553247233	/nfs/dbraw/zinc/24/72/33/553247233.db2.gz	HXBXCHPMSULSGE-QFIPXVFZSA-N	0	1	502.564	3.225	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(OC)c1	ZINC000009358560	553247734	/nfs/dbraw/zinc/24/77/34/553247734.db2.gz	YPGCNJDJOJOVQN-DEOSSOPVSA-N	0	1	528.627	3.485	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(OC)c1	ZINC000009361076	553248667	/nfs/dbraw/zinc/24/86/67/553248667.db2.gz	AEADWQKPRXMBQJ-QHCPKHFHSA-N	0	1	514.600	3.095	50	30		KGEAMN
Cn1c2nc(NN=Cc3cc(Br)ccc3O)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000009375209	553251108	/nfs/dbraw/zinc/25/11/08/553251108.db2.gz	MCPHCGOKUWPQGS-YSURURNPSA-N	0	1	517.771	3.050	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009380517	553251672	/nfs/dbraw/zinc/25/16/72/553251672.db2.gz	ZTUMNFFIEHXCEJ-RUZDIDTESA-N	0	1	510.587	3.321	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000009380518	553251743	/nfs/dbraw/zinc/25/17/43/553251743.db2.gz	ZTUMNFFIEHXCEJ-VWLOTQADSA-N	0	1	510.587	3.321	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)cc1	ZINC000009411319	553257428	/nfs/dbraw/zinc/25/74/28/553257428.db2.gz	SGTMGYOVHKZYST-XMMPIXPASA-N	0	1	528.627	3.485	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)cc1	ZINC000009412598	553257628	/nfs/dbraw/zinc/25/76/28/553257628.db2.gz	IZJUSASKKRAJRB-HSZRJFAPSA-N	0	1	514.600	3.095	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000009412603	553257672	/nfs/dbraw/zinc/25/76/72/553257672.db2.gz	IZJUSASKKRAJRB-QHCPKHFHSA-N	0	1	514.600	3.095	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000009412677	553257865	/nfs/dbraw/zinc/25/78/65/553257865.db2.gz	ACDHQIDVOPKWDI-NPJIAGGLSA-N	0	1	508.571	3.023	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000009412681	553257875	/nfs/dbraw/zinc/25/78/75/553257875.db2.gz	ACDHQIDVOPKWDI-IUKMQXEJSA-N	0	1	508.571	3.023	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Br)c(O)c(OC)c1	ZINC000009424602	553258881	/nfs/dbraw/zinc/25/88/81/553258881.db2.gz	WOZMRDGYPDGCCS-LJQANCHMSA-N	0	1	520.332	3.159	50	30		KGEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000009435844	553264095	/nfs/dbraw/zinc/26/40/95/553264095.db2.gz	GNTDBMVGTDLAJU-OAQYLSRUSA-N	0	1	531.613	3.393	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000009436079	553264362	/nfs/dbraw/zinc/26/43/62/553264362.db2.gz	GOIXTTBREZRLLD-IUKMQXEJSA-N	0	1	508.571	3.110	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000009436185	553264531	/nfs/dbraw/zinc/26/45/31/553264531.db2.gz	UEPWYTUWWIFRGX-DEOSSOPVSA-N	0	1	528.627	3.056	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(OC)c1	ZINC000009437008	553264482	/nfs/dbraw/zinc/26/44/82/553264482.db2.gz	AEADWQKPRXMBQJ-HSZRJFAPSA-N	0	1	514.600	3.095	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000009437212	553264784	/nfs/dbraw/zinc/26/47/84/553264784.db2.gz	SGTMGYOVHKZYST-DEOSSOPVSA-N	0	1	528.627	3.485	50	30		KGEAMN
CCN1CCN(c2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	ZINC000009460981	553267156	/nfs/dbraw/zinc/26/71/56/553267156.db2.gz	ZWHBXWQPIVKQJA-HMAPJEAMSA-N	0	1	523.684	3.117	50	30		KGEAMN
C=CCn1cc(C(=O)NCCN(C)Cc2ccccc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000009731232	553302447	/nfs/dbraw/zinc/30/24/47/553302447.db2.gz	OXINYFQEYHCQNL-UHFFFAOYSA-N	0	1	510.660	3.080	50	30		KGEAMN
C=CCn1cc(C(=O)NCCN(C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21	ZINC000009731246	553302478	/nfs/dbraw/zinc/30/24/78/553302478.db2.gz	UGIBWPHEFUEDKF-UHFFFAOYSA-N	0	1	524.687	3.122	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000009994033	553324409	/nfs/dbraw/zinc/32/44/09/553324409.db2.gz	KVBADXHCOHGERG-AREMUKBSSA-N	0	1	522.598	3.488	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C	ZINC000009994034	553324385	/nfs/dbraw/zinc/32/43/85/553324385.db2.gz	KVBADXHCOHGERG-SANMLTNESA-N	0	1	522.598	3.488	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000009994131	553324695	/nfs/dbraw/zinc/32/46/95/553324695.db2.gz	RXNLJUHIISFAPZ-RUZDIDTESA-N	0	1	510.587	3.321	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000009994132	553324714	/nfs/dbraw/zinc/32/47/14/553324714.db2.gz	RXNLJUHIISFAPZ-VWLOTQADSA-N	0	1	510.587	3.321	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000009994447	553324892	/nfs/dbraw/zinc/32/48/92/553324892.db2.gz	RKIFYKQVTAXANW-AREMUKBSSA-N	0	1	522.598	3.488	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000009994450	553324830	/nfs/dbraw/zinc/32/48/30/553324830.db2.gz	RKIFYKQVTAXANW-SANMLTNESA-N	0	1	522.598	3.488	50	30		KGEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000011851742	553343887	/nfs/dbraw/zinc/34/38/87/553343887.db2.gz	YZQSPURRJBJADS-LJQANCHMSA-N	0	1	501.543	3.062	50	30		KGEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccc3c(c2)OCO3)CC1	ZINC000011851743	553343937	/nfs/dbraw/zinc/34/39/37/553343937.db2.gz	YZQSPURRJBJADS-IBGZPJMESA-N	0	1	501.543	3.062	50	30		KGEAMN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)CC1	ZINC000012311661	553357550	/nfs/dbraw/zinc/35/75/50/553357550.db2.gz	GNTDBMVGTDLAJU-NRFANRHFSA-N	0	1	531.613	3.393	50	30		KGEAMN
CC(C)(C)NC(=S)N/N=C/c1cc(I)cc(I)c1O	ZINC000012339105	553358515	/nfs/dbraw/zinc/35/85/15/553358515.db2.gz	ANRCAJAAQXFTRY-GIDUJCDVSA-N	0	1	503.147	3.198	50	30		KGEAMN
CCOc1cc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000012533335	553387386	/nfs/dbraw/zinc/38/73/86/553387386.db2.gz	FBFJPJYADVULPF-DEOSSOPVSA-N	0	1	522.554	3.456	50	30		KGEAMN
CCOc1cc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000012533337	553387407	/nfs/dbraw/zinc/38/74/07/553387407.db2.gz	FBFJPJYADVULPF-XMMPIXPASA-N	0	1	522.554	3.456	50	30		KGEAMN
CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1	ZINC000013139947	553454144	/nfs/dbraw/zinc/45/41/44/553454144.db2.gz	UXQAXBOQLITAID-UHFFFAOYSA-N	0	1	502.412	3.119	50	30		KGEAMN
Brc1cccc(-c2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1	ZINC000013548717	553469925	/nfs/dbraw/zinc/46/99/25/553469925.db2.gz	SFVFHBDQNWSGMH-BUVRLJJBSA-N	0	1	514.384	3.013	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C	ZINC000013751392	553487988	/nfs/dbraw/zinc/48/79/88/553487988.db2.gz	ANURTICUQCQNEB-QFIPXVFZSA-N	0	1	515.994	3.372	50	30		KGEAMN
C=CCc1ccccc1OCCOc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1OC	ZINC000013895703	553494734	/nfs/dbraw/zinc/49/47/34/553494734.db2.gz	GXBVFNORODETCA-UHFFFAOYSA-N	0	1	501.333	3.393	50	30		KGEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000015837213	553537486	/nfs/dbraw/zinc/53/74/86/553537486.db2.gz	IYJFRNXUFWTJIH-NIYFSFCBSA-N	0	1	504.583	3.485	50	30		KGEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000015837216	553537388	/nfs/dbraw/zinc/53/73/88/553537388.db2.gz	IYJFRNXUFWTJIH-AFMDSPMNSA-N	0	1	504.583	3.485	50	30		KGEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000015837217	553537479	/nfs/dbraw/zinc/53/74/79/553537479.db2.gz	IYJFRNXUFWTJIH-BCHFMIIMSA-N	0	1	504.583	3.485	50	30		KGEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000015837220	553537468	/nfs/dbraw/zinc/53/74/68/553537468.db2.gz	IYJFRNXUFWTJIH-SIBVEZHUSA-N	0	1	504.583	3.485	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000015952860	553545699	/nfs/dbraw/zinc/54/56/99/553545699.db2.gz	IPPMSRRHYBBGOY-QYBDOPJKSA-N	0	1	522.598	3.328	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000015952861	553545758	/nfs/dbraw/zinc/54/57/58/553545758.db2.gz	IPPMSRRHYBBGOY-HFJWLAOPSA-N	0	1	522.598	3.328	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000015952862	553545782	/nfs/dbraw/zinc/54/57/82/553545782.db2.gz	IPPMSRRHYBBGOY-DWXRJYCRSA-N	0	1	522.598	3.328	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000015952863	553545834	/nfs/dbraw/zinc/54/58/34/553545834.db2.gz	IPPMSRRHYBBGOY-WXTAPIANSA-N	0	1	522.598	3.328	50	30		KGEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000016700850	553574593	/nfs/dbraw/zinc/57/45/93/553574593.db2.gz	XJRJWDVZXJIPDG-RUZDIDTESA-N	0	1	510.587	3.409	50	30		KGEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000016700854	553574748	/nfs/dbraw/zinc/57/47/48/553574748.db2.gz	XJRJWDVZXJIPDG-VWLOTQADSA-N	0	1	510.587	3.409	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(Br)c(O)c(OC)c1	ZINC000016956154	553584936	/nfs/dbraw/zinc/58/49/36/553584936.db2.gz	WOZMRDGYPDGCCS-IBGZPJMESA-N	0	1	520.332	3.159	50	30		KGEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000017206838	553590683	/nfs/dbraw/zinc/59/06/83/553590683.db2.gz	VKYOZKBAKHFXOR-QHCPKHFHSA-N	0	1	514.600	3.117	50	30		KGEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)cc1	ZINC000017206842	553590646	/nfs/dbraw/zinc/59/06/46/553590646.db2.gz	VKYOZKBAKHFXOR-HSZRJFAPSA-N	0	1	514.600	3.117	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000017208358	553590675	/nfs/dbraw/zinc/59/06/75/553590675.db2.gz	NKHVRBMYWBZRMW-IBGZPJMESA-N	0	1	513.399	3.468	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000017208360	553590608	/nfs/dbraw/zinc/59/06/08/553590608.db2.gz	NKHVRBMYWBZRMW-LJQANCHMSA-N	0	1	513.399	3.468	50	30		KGEAMN
COc1cc([C@@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000018198283	553609494	/nfs/dbraw/zinc/60/94/94/553609494.db2.gz	HZNAEIHVUVBCQG-VERVWZFWSA-N	0	1	523.502	3.342	50	30		KGEAMN
COc1cc([C@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000018198284	553609508	/nfs/dbraw/zinc/60/95/08/553609508.db2.gz	HZNAEIHVUVBCQG-IPQOISQHSA-N	0	1	523.502	3.342	50	30		KGEAMN
COc1cc([C@@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000018198286	553609516	/nfs/dbraw/zinc/60/95/16/553609516.db2.gz	HZNAEIHVUVBCQG-AMXDTQDGSA-N	0	1	523.502	3.342	50	30		KGEAMN
COc1cc([C@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc([N+](=O)[O-])c1O	ZINC000018198288	553609463	/nfs/dbraw/zinc/60/94/63/553609463.db2.gz	HZNAEIHVUVBCQG-YTEVENLXSA-N	0	1	523.502	3.342	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccccc2F)cc1	ZINC000019885680	553629891	/nfs/dbraw/zinc/62/98/91/553629891.db2.gz	WCAIWPLXHQDZJS-HSZRJFAPSA-N	0	1	515.607	3.140	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccccc2F)cc1	ZINC000019885682	553629886	/nfs/dbraw/zinc/62/98/86/553629886.db2.gz	WCAIWPLXHQDZJS-QHCPKHFHSA-N	0	1	515.607	3.140	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1	ZINC000019939525	553638198	/nfs/dbraw/zinc/63/81/98/553638198.db2.gz	DYPOQOGUZPIXBJ-DEOSSOPVSA-N	0	1	527.643	3.010	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1	ZINC000019939526	553638163	/nfs/dbraw/zinc/63/81/63/553638163.db2.gz	DYPOQOGUZPIXBJ-XMMPIXPASA-N	0	1	527.643	3.010	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019997892	553652861	/nfs/dbraw/zinc/65/28/61/553652861.db2.gz	QLXPJFXMMAPMIY-HXUWFJFHSA-N	0	1	516.348	3.268	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019997896	553652898	/nfs/dbraw/zinc/65/28/98/553652898.db2.gz	QLXPJFXMMAPMIY-FQEVSTJZSA-N	0	1	516.348	3.268	50	30		KGEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1	ZINC000020029663	553664066	/nfs/dbraw/zinc/66/40/66/553664066.db2.gz	KHIHUJXNVLVTGP-XMMPIXPASA-N	0	1	511.644	3.310	50	30		KGEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCCCC2)cc1	ZINC000020029664	553664056	/nfs/dbraw/zinc/66/40/56/553664056.db2.gz	KHIHUJXNVLVTGP-DEOSSOPVSA-N	0	1	511.644	3.310	50	30		KGEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000020057783	553671041	/nfs/dbraw/zinc/67/10/41/553671041.db2.gz	MKNGMNSNOOCWGO-VWLOTQADSA-N	0	1	510.587	3.409	50	30		KGEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCCN2CCOCC2)ccc1O	ZINC000020057784	553671416	/nfs/dbraw/zinc/67/14/16/553671416.db2.gz	MKNGMNSNOOCWGO-RUZDIDTESA-N	0	1	510.587	3.409	50	30		KGEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1CCN1CCOCC1	ZINC000020057924	553671424	/nfs/dbraw/zinc/67/14/24/553671424.db2.gz	HVJSCWMAYGYBJT-NRFANRHFSA-N	0	1	501.377	3.368	50	30		KGEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1CCN1CCOCC1	ZINC000020057925	553671384	/nfs/dbraw/zinc/67/13/84/553671384.db2.gz	HVJSCWMAYGYBJT-OAQYLSRUSA-N	0	1	501.377	3.368	50	30		KGEAMN
COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1	ZINC000020064408	553675029	/nfs/dbraw/zinc/67/50/29/553675029.db2.gz	XXDIFBLDMPLOIB-NRFANRHFSA-N	0	1	501.377	3.368	50	30		KGEAMN
COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1	ZINC000020064410	553675034	/nfs/dbraw/zinc/67/50/34/553675034.db2.gz	XXDIFBLDMPLOIB-OAQYLSRUSA-N	0	1	501.377	3.368	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000020064693	553675404	/nfs/dbraw/zinc/67/54/04/553675404.db2.gz	LMXIKDMIJPGTLR-NRFANRHFSA-N	0	1	517.376	3.074	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000020064694	553675507	/nfs/dbraw/zinc/67/55/07/553675507.db2.gz	LMXIKDMIJPGTLR-OAQYLSRUSA-N	0	1	517.376	3.074	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020065991	553675670	/nfs/dbraw/zinc/67/56/70/553675670.db2.gz	PBSNZOLOVOABHP-HXUWFJFHSA-N	0	1	516.348	3.268	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020065993	553675755	/nfs/dbraw/zinc/67/57/55/553675755.db2.gz	PBSNZOLOVOABHP-FQEVSTJZSA-N	0	1	516.348	3.268	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020081704	553680759	/nfs/dbraw/zinc/68/07/59/553680759.db2.gz	ZQKMDLYXUVIBHQ-VWLOTQADSA-N	0	1	510.587	3.321	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020081707	553680592	/nfs/dbraw/zinc/68/05/92/553680592.db2.gz	ZQKMDLYXUVIBHQ-RUZDIDTESA-N	0	1	510.587	3.321	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020133427	553592285	/nfs/dbraw/zinc/59/22/85/553592285.db2.gz	NEEQKMBZNDHOEU-SANMLTNESA-N	0	1	516.598	3.490	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000020133431	553592298	/nfs/dbraw/zinc/59/22/98/553592298.db2.gz	NEEQKMBZNDHOEU-AREMUKBSSA-N	0	1	516.598	3.490	50	30		KGEAMN
CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S	ZINC000020192913	553606180	/nfs/dbraw/zinc/60/61/80/553606180.db2.gz	CMZYSJHIJMZJGI-JCMHNJIXSA-N	0	1	507.685	3.499	50	30		KGEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020219304	553614687	/nfs/dbraw/zinc/61/46/87/553614687.db2.gz	BWKYEVVKWGYISP-AREMUKBSSA-N	0	1	520.582	3.323	50	30		KGEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020219305	553614793	/nfs/dbraw/zinc/61/47/93/553614793.db2.gz	BWKYEVVKWGYISP-SANMLTNESA-N	0	1	520.582	3.323	50	30		KGEAMN
C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(Cc3ccccc3)CC2)SC1=S	ZINC000020230748	553617497	/nfs/dbraw/zinc/61/74/97/553617497.db2.gz	HGZQDPQVVSCOAJ-JCMHNJIXSA-N	0	1	505.669	3.275	50	30		KGEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020263135	553629437	/nfs/dbraw/zinc/62/94/37/553629437.db2.gz	DBGJBGVOSUIVNU-QHCPKHFHSA-N	0	1	516.978	3.276	50	30		KGEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020263138	553629402	/nfs/dbraw/zinc/62/94/02/553629402.db2.gz	DBGJBGVOSUIVNU-HSZRJFAPSA-N	0	1	516.978	3.276	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000020264588	553629835	/nfs/dbraw/zinc/62/98/35/553629835.db2.gz	CPSNBAIOSPQWRD-JOCHJYFZSA-N	0	1	516.978	3.276	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000020264990	553629811	/nfs/dbraw/zinc/62/98/11/553629811.db2.gz	SAMBCWJAJKPKQM-VWLOTQADSA-N	0	1	510.587	3.403	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000020264993	553629861	/nfs/dbraw/zinc/62/98/61/553629861.db2.gz	SAMBCWJAJKPKQM-RUZDIDTESA-N	0	1	510.587	3.403	50	30		KGEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020265032	553629829	/nfs/dbraw/zinc/62/98/29/553629829.db2.gz	HUGCWWXLMFEQHI-VWLOTQADSA-N	0	1	510.587	3.403	50	30		KGEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000020265035	553629868	/nfs/dbraw/zinc/62/98/68/553629868.db2.gz	HUGCWWXLMFEQHI-RUZDIDTESA-N	0	1	510.587	3.403	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000020265055	553629856	/nfs/dbraw/zinc/62/98/56/553629856.db2.gz	WJYQTISZUVOHIZ-HSZRJFAPSA-N	0	1	516.978	3.276	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl	ZINC000020265058	553629899	/nfs/dbraw/zinc/62/98/99/553629899.db2.gz	WJYQTISZUVOHIZ-QHCPKHFHSA-N	0	1	516.978	3.276	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1	ZINC000020265176	553629885	/nfs/dbraw/zinc/62/98/85/553629885.db2.gz	NYNZLMYFAPQJHX-DEOSSOPVSA-N	0	1	508.571	3.179	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1	ZINC000020265180	553630023	/nfs/dbraw/zinc/63/00/23/553630023.db2.gz	NYNZLMYFAPQJHX-XMMPIXPASA-N	0	1	508.571	3.179	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000020265504	553630074	/nfs/dbraw/zinc/63/00/74/553630074.db2.gz	BBDYKWSASLBTJY-RUZDIDTESA-N	0	1	508.571	3.179	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020280736	553631003	/nfs/dbraw/zinc/63/10/03/553631003.db2.gz	FOWZQOJXHRXWRZ-DEOSSOPVSA-N	0	1	525.602	3.117	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000020280739	553631040	/nfs/dbraw/zinc/63/10/40/553631040.db2.gz	FOWZQOJXHRXWRZ-XMMPIXPASA-N	0	1	525.602	3.117	50	30		KGEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020290688	553635272	/nfs/dbraw/zinc/63/52/72/553635272.db2.gz	GPHKXCJKGGLXLT-VWLOTQADSA-N	0	1	508.571	3.157	50	30		KGEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000020290691	553635308	/nfs/dbraw/zinc/63/53/08/553635308.db2.gz	GPHKXCJKGGLXLT-RUZDIDTESA-N	0	1	508.571	3.157	50	30		KGEAMN
Cc1c(C#N)c(=O)n(C)c(N2CCN(Cc3ccccc3)CC2)c1/C=C1\SC(=S)N(C(C)C)C1=O	ZINC000020308051	553636093	/nfs/dbraw/zinc/63/60/93/553636093.db2.gz	MGGPTGAFEIUTGY-HMAPJEAMSA-N	0	1	507.685	3.497	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)c(O)c1	ZINC000020309424	553636899	/nfs/dbraw/zinc/63/68/99/553636899.db2.gz	SXIBMBQAFBSUKR-RUZDIDTESA-N	0	1	510.587	3.489	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)c(O)c1	ZINC000020309426	553636904	/nfs/dbraw/zinc/63/69/04/553636904.db2.gz	SXIBMBQAFBSUKR-VWLOTQADSA-N	0	1	510.587	3.489	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC(C)C)c2)c(O)c1	ZINC000020309460	553636675	/nfs/dbraw/zinc/63/66/75/553636675.db2.gz	YVZAKVRHOOLIKJ-RUZDIDTESA-N	0	1	510.587	3.489	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC(C)C)c2)c(O)c1	ZINC000020309462	553636914	/nfs/dbraw/zinc/63/69/14/553636914.db2.gz	YVZAKVRHOOLIKJ-VWLOTQADSA-N	0	1	510.587	3.489	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(O)c1	ZINC000020309506	553636920	/nfs/dbraw/zinc/63/69/20/553636920.db2.gz	REVOXWJZPOCYBA-OAQYLSRUSA-N	0	1	517.376	3.074	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(O)c1	ZINC000020309509	553636856	/nfs/dbraw/zinc/63/68/56/553636856.db2.gz	REVOXWJZPOCYBA-NRFANRHFSA-N	0	1	517.376	3.074	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(O)c1	ZINC000020309546	553637174	/nfs/dbraw/zinc/63/71/74/553637174.db2.gz	OICGPQPGFHQXSS-OAQYLSRUSA-N	0	1	517.376	3.074	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c(O)c1	ZINC000020309549	553637142	/nfs/dbraw/zinc/63/71/42/553637142.db2.gz	OICGPQPGFHQXSS-NRFANRHFSA-N	0	1	517.376	3.074	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020391255	553644944	/nfs/dbraw/zinc/64/49/44/553644944.db2.gz	FMBPLPOIEQWPEC-VWLOTQADSA-N	0	1	508.571	3.266	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OC)c2)cc1	ZINC000020391259	553645018	/nfs/dbraw/zinc/64/50/18/553645018.db2.gz	FMBPLPOIEQWPEC-RUZDIDTESA-N	0	1	508.571	3.266	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)cc1	ZINC000020436667	553648574	/nfs/dbraw/zinc/64/85/74/553648574.db2.gz	YHJUHKDHNFUAMI-VWLOTQADSA-N	0	1	508.571	3.179	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)cc1	ZINC000020436670	553648603	/nfs/dbraw/zinc/64/86/03/553648603.db2.gz	YHJUHKDHNFUAMI-RUZDIDTESA-N	0	1	508.571	3.179	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)cc2OC)cc1	ZINC000020442206	553649600	/nfs/dbraw/zinc/64/96/00/553649600.db2.gz	KBLOOLGLPOVNFH-VWLOTQADSA-N	0	1	508.571	3.179	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)cc2OC)cc1	ZINC000020442211	553649595	/nfs/dbraw/zinc/64/95/95/553649595.db2.gz	KBLOOLGLPOVNFH-RUZDIDTESA-N	0	1	508.571	3.179	50	30		KGEAMN
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1C#N	ZINC000020479440	553657754	/nfs/dbraw/zinc/65/77/54/553657754.db2.gz	VCKUUUXWYHVNRY-QFIPXVFZSA-N	0	1	520.033	3.145	50	30		KGEAMN
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CN3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1C#N	ZINC000020479443	553657724	/nfs/dbraw/zinc/65/77/24/553657724.db2.gz	VCKUUUXWYHVNRY-JOCHJYFZSA-N	0	1	520.033	3.145	50	30		KGEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000021487007	553710187	/nfs/dbraw/zinc/71/01/87/553710187.db2.gz	JQWYENSGQUWTFC-QHCPKHFHSA-N	0	1	513.660	3.374	50	30		KGEAMN
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000021487008	553710184	/nfs/dbraw/zinc/71/01/84/553710184.db2.gz	JQWYENSGQUWTFC-HSZRJFAPSA-N	0	1	513.660	3.374	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23c2ccccc2N(CC)C3=O)cc1	ZINC000024147873	553789940	/nfs/dbraw/zinc/78/99/40/553789940.db2.gz	RICSEQDAVQBVEB-SSEXGKCCSA-N	0	1	531.609	3.073	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23c2ccccc2N(CC)C3=O)cc1	ZINC000024147877	553790072	/nfs/dbraw/zinc/79/00/72/553790072.db2.gz	RICSEQDAVQBVEB-PMERELPUSA-N	0	1	531.609	3.073	50	30		KGEAMN
C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000027017980	553823359	/nfs/dbraw/zinc/82/33/59/553823359.db2.gz	UORZGUGUNBCLKE-DEOSSOPVSA-N	0	1	521.599	3.147	50	30		KGEAMN
C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000027017985	553823347	/nfs/dbraw/zinc/82/33/47/553823347.db2.gz	UORZGUGUNBCLKE-XMMPIXPASA-N	0	1	521.599	3.147	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(F)cc2)cc1	ZINC000027987947	553836778	/nfs/dbraw/zinc/83/67/78/553836778.db2.gz	BCQAOZOGJJPBKO-JOCHJYFZSA-N	0	1	504.580	3.471	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(F)cc2)cc1	ZINC000027987949	553837119	/nfs/dbraw/zinc/83/71/19/553837119.db2.gz	BCQAOZOGJJPBKO-QFIPXVFZSA-N	0	1	504.580	3.471	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(O)c1	ZINC000027987984	553837103	/nfs/dbraw/zinc/83/71/03/553837103.db2.gz	SJMPJPQZKVZWOT-QHCPKHFHSA-N	0	1	514.600	3.182	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(O)c1	ZINC000027987988	553837091	/nfs/dbraw/zinc/83/70/91/553837091.db2.gz	SJMPJPQZKVZWOT-HSZRJFAPSA-N	0	1	514.600	3.182	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(OC)c2)cc1	ZINC000027988000	553837130	/nfs/dbraw/zinc/83/71/30/553837130.db2.gz	AMVDJMAODAXJMS-HSZRJFAPSA-N	0	1	516.616	3.341	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(OC)c2)cc1	ZINC000027988006	553837136	/nfs/dbraw/zinc/83/71/36/553837136.db2.gz	AMVDJMAODAXJMS-QHCPKHFHSA-N	0	1	516.616	3.341	50	30		KGEAMN
C=CCN(CC=C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000033032938	553891601	/nfs/dbraw/zinc/89/16/01/553891601.db2.gz	SIOPQHNCLNFUJQ-UHFFFAOYSA-N	0	1	519.465	3.474	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000033355390	553934424	/nfs/dbraw/zinc/93/44/24/553934424.db2.gz	XIWFIDDONBGTNC-DEOSSOPVSA-N	0	1	537.594	3.128	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2Cc2cccnc2)cc1OC	ZINC000033355392	553934516	/nfs/dbraw/zinc/93/45/16/553934516.db2.gz	XIWFIDDONBGTNC-XMMPIXPASA-N	0	1	537.594	3.128	50	30		KGEAMN
C#CCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340254	554219882	/nfs/dbraw/zinc/21/98/82/554219882.db2.gz	POBYSLFCWIARNV-VWLOTQADSA-N	0	1	501.587	3.084	50	30		KGEAMN
C#CCOC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340255	554219975	/nfs/dbraw/zinc/21/99/75/554219975.db2.gz	POBYSLFCWIARNV-RUZDIDTESA-N	0	1	501.587	3.084	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000038140022	554262503	/nfs/dbraw/zinc/26/25/03/554262503.db2.gz	ZYGJKVSJOLBLBB-AREMUKBSSA-N	0	1	538.597	3.166	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000038140024	554262511	/nfs/dbraw/zinc/26/25/11/554262511.db2.gz	ZYGJKVSJOLBLBB-SANMLTNESA-N	0	1	538.597	3.166	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC	ZINC000038140050	554262578	/nfs/dbraw/zinc/26/25/78/554262578.db2.gz	OHKFTGWDTBIWFK-HXUWFJFHSA-N	0	1	525.539	3.426	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC	ZINC000038140052	554262555	/nfs/dbraw/zinc/26/25/55/554262555.db2.gz	OHKFTGWDTBIWFK-FQEVSTJZSA-N	0	1	525.539	3.426	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000038140082	554262479	/nfs/dbraw/zinc/26/24/79/554262479.db2.gz	GZMRKQPWHXIOPD-RUZDIDTESA-N	0	1	542.654	3.446	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000038140084	554262599	/nfs/dbraw/zinc/26/25/99/554262599.db2.gz	GZMRKQPWHXIOPD-VWLOTQADSA-N	0	1	542.654	3.446	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000038140090	554262532	/nfs/dbraw/zinc/26/25/32/554262532.db2.gz	WTMOURVFNXYYAB-XMMPIXPASA-N	0	1	544.626	3.190	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000038140093	554262549	/nfs/dbraw/zinc/26/25/49/554262549.db2.gz	WTMOURVFNXYYAB-DEOSSOPVSA-N	0	1	544.626	3.190	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000038150079	554271465	/nfs/dbraw/zinc/27/14/65/554271465.db2.gz	LZRGEELZRRGKBK-XMMPIXPASA-N	0	1	544.626	3.103	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000038150080	554271385	/nfs/dbraw/zinc/27/13/85/554271385.db2.gz	LZRGEELZRRGKBK-DEOSSOPVSA-N	0	1	544.626	3.103	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC	ZINC000041543420	554296486	/nfs/dbraw/zinc/29/64/86/554296486.db2.gz	JCKQTCUSQFGZTL-XMMPIXPASA-N	0	1	524.570	3.158	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC	ZINC000041543423	554296386	/nfs/dbraw/zinc/29/63/86/554296386.db2.gz	JCKQTCUSQFGZTL-DEOSSOPVSA-N	0	1	524.570	3.158	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC	ZINC000041544783	554296479	/nfs/dbraw/zinc/29/64/79/554296479.db2.gz	LABBTJJUSHYWHH-HSZRJFAPSA-N	0	1	510.543	3.115	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCCC2)cc(OC)c1OC	ZINC000041544786	554296524	/nfs/dbraw/zinc/29/65/24/554296524.db2.gz	LABBTJJUSHYWHH-QHCPKHFHSA-N	0	1	510.543	3.115	50	30		KGEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1	ZINC000053290593	554331631	/nfs/dbraw/zinc/33/16/31/554331631.db2.gz	WFKAHENIAGLQMG-JOCHJYFZSA-N	0	1	525.403	3.316	50	30		KGEAMN
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1	ZINC000053290595	554331556	/nfs/dbraw/zinc/33/15/56/554331556.db2.gz	WFKAHENIAGLQMG-QFIPXVFZSA-N	0	1	525.403	3.316	50	30		KGEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000053319163	554336141	/nfs/dbraw/zinc/33/61/41/554336141.db2.gz	DCGLUYPJFLOAHD-NRFANRHFSA-N	0	1	529.387	3.146	50	30		KGEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000053319164	554336166	/nfs/dbraw/zinc/33/61/66/554336166.db2.gz	DCGLUYPJFLOAHD-OAQYLSRUSA-N	0	1	529.387	3.146	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000053334956	554340702	/nfs/dbraw/zinc/34/07/02/554340702.db2.gz	FZXFSDIFIVBHEO-CMJOXMDJSA-N	0	1	573.440	3.397	50	30		KGEAMN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1cnc[nH]1	ZINC000070691984	553608830	/nfs/dbraw/zinc/60/88/30/553608830.db2.gz	SFBRIYGBUOEWSA-MVRZZEOJSA-N	0	1	539.673	3.224	50	30	biogenic	KGEAMN
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5cnc[nH]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692259	553610713	/nfs/dbraw/zinc/61/07/13/553610713.db2.gz	VWNXXDRIBVHHMQ-HSCRAQQZSA-N	0	1	536.673	3.310	50	30	biogenic	KGEAMN
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](Cc5cnc[nH]5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000070692260	553610624	/nfs/dbraw/zinc/61/06/24/553610624.db2.gz	VWNXXDRIBVHHMQ-ULHAHEQLSA-N	0	1	536.673	3.310	50	30	biogenic	KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	ZINC000070692347	553611173	/nfs/dbraw/zinc/61/11/73/553611173.db2.gz	PJPCYEHVXAIXOO-PKZHNXSISA-N	0	1	512.651	3.306	50	30	biogenic	KGEAMN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	ZINC000070692348	553611207	/nfs/dbraw/zinc/61/12/07/553611207.db2.gz	PJPCYEHVXAIXOO-AKPRZWKVSA-N	0	1	512.651	3.306	50	30	biogenic	KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12	ZINC000070698723	553614735	/nfs/dbraw/zinc/61/47/35/553614735.db2.gz	BULBTDPFRMAGQW-SKEBRDROSA-N	0	1	524.662	3.472	50	30	biogenic	KGEAMN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12	ZINC000070698726	553614717	/nfs/dbraw/zinc/61/47/17/553614717.db2.gz	BULBTDPFRMAGQW-GYYKLRIYSA-N	0	1	524.662	3.472	50	30	biogenic	KGEAMN
CCOc1ccc(N2C(=O)C(=Cc3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)cc1	ZINC000084688254	553677987	/nfs/dbraw/zinc/67/79/87/553677987.db2.gz	IRVCWHPYPQCVOZ-UYRXBGFRSA-N	0	1	502.574	3.025	50	30		KGEAMN
CS(=O)(=O)N(CCC#N)Cc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1	ZINC000084904195	553678290	/nfs/dbraw/zinc/67/82/90/553678290.db2.gz	KOHMYUCPOUCWOB-BOPFTXTBSA-N	0	1	537.417	3.389	50	30		KGEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc3c(c(OC)c2OC)OCO3)c1	ZINC000085413166	553681090	/nfs/dbraw/zinc/68/10/90/553681090.db2.gz	ORDJLNKLCCXYAD-OAQYLSRUSA-N	0	1	510.543	3.115	50	30		KGEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc3c(c(OC)c2OC)OCO3)c1	ZINC000085413168	553680876	/nfs/dbraw/zinc/68/08/76/553680876.db2.gz	ORDJLNKLCCXYAD-NRFANRHFSA-N	0	1	510.543	3.115	50	30		KGEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc(OC)c3c(c2OC)OCO3)c1	ZINC000085413173	553680975	/nfs/dbraw/zinc/68/09/75/553680975.db2.gz	BOZMGBNZJDMJHF-OAQYLSRUSA-N	0	1	510.543	3.115	50	30		KGEAMN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc(OC)c3c(c2OC)OCO3)c1	ZINC000085413176	553680912	/nfs/dbraw/zinc/68/09/12/553680912.db2.gz	BOZMGBNZJDMJHF-NRFANRHFSA-N	0	1	510.543	3.115	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2	ZINC000085413425	553680869	/nfs/dbraw/zinc/68/08/69/553680869.db2.gz	ZVYFSFXADSBCOA-HSZRJFAPSA-N	0	1	510.543	3.115	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)cc2c1OCO2	ZINC000085413429	553681072	/nfs/dbraw/zinc/68/10/72/553681072.db2.gz	ZVYFSFXADSBCOA-QHCPKHFHSA-N	0	1	510.543	3.115	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000085413572	553681049	/nfs/dbraw/zinc/68/10/49/553681049.db2.gz	GZYHZABXBSUHBW-GAJHUEQPSA-N	0	1	513.543	3.487	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000085413577	553680967	/nfs/dbraw/zinc/68/09/67/553680967.db2.gz	GZYHZABXBSUHBW-SBUREZEXSA-N	0	1	513.543	3.487	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000085413579	553680883	/nfs/dbraw/zinc/68/08/83/553680883.db2.gz	GZYHZABXBSUHBW-UZUQRXQVSA-N	0	1	513.543	3.487	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000085413581	553680920	/nfs/dbraw/zinc/68/09/20/553680920.db2.gz	GZYHZABXBSUHBW-HXOBKFHXSA-N	0	1	513.543	3.487	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000085413583	553680957	/nfs/dbraw/zinc/68/09/57/553680957.db2.gz	ZEGONTAJBXEJRZ-XMMPIXPASA-N	0	1	526.586	3.404	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000085413589	553680986	/nfs/dbraw/zinc/68/09/86/553680986.db2.gz	ZEGONTAJBXEJRZ-DEOSSOPVSA-N	0	1	526.586	3.404	50	30		KGEAMN
Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1cccnc1	ZINC000097939483	553759387	/nfs/dbraw/zinc/75/93/87/553759387.db2.gz	BWSOTVSUZPSCMK-CNHKJKLMSA-N	0	1	549.135	3.426	50	30		KGEAMN
CCSCCOC(=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	ZINC000097939679	553760208	/nfs/dbraw/zinc/76/02/08/553760208.db2.gz	PDQVVNCQRZRKFZ-ZQBYOIRZSA-N	0	1	534.587	3.218	50	30		KGEAMN
CCSCCOC(=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	ZINC000097939680	553760168	/nfs/dbraw/zinc/76/01/68/553760168.db2.gz	PDQVVNCQRZRKFZ-LIUKBUMOSA-N	0	1	534.587	3.218	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000097951568	553809977	/nfs/dbraw/zinc/80/99/77/553809977.db2.gz	BFUYIUXMDCOSKC-JOCHJYFZSA-N	0	1	531.403	3.377	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000097951569	553809927	/nfs/dbraw/zinc/80/99/27/553809927.db2.gz	BFUYIUXMDCOSKC-QFIPXVFZSA-N	0	1	531.403	3.377	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1C	ZINC000097967029	553913169	/nfs/dbraw/zinc/91/31/69/553913169.db2.gz	MGEQCAAAQLXVKB-QFIPXVFZSA-N	0	1	560.445	3.481	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C	ZINC000097967030	553913128	/nfs/dbraw/zinc/91/31/28/553913128.db2.gz	MGEQCAAAQLXVKB-JOCHJYFZSA-N	0	1	560.445	3.481	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000097967466	553918873	/nfs/dbraw/zinc/91/88/73/553918873.db2.gz	FZXFSDIFIVBHEO-WNSKOXEYSA-N	0	1	573.440	3.397	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000097967467	553918850	/nfs/dbraw/zinc/91/88/50/553918850.db2.gz	FZXFSDIFIVBHEO-IQMFZBJNSA-N	0	1	573.440	3.397	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000097967468	553918821	/nfs/dbraw/zinc/91/88/21/553918821.db2.gz	FZXFSDIFIVBHEO-NPMXOYFQSA-N	0	1	573.440	3.397	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1	ZINC000097967620	553920949	/nfs/dbraw/zinc/92/09/49/553920949.db2.gz	AXXHLHKPZGRYTI-QHCPKHFHSA-N	0	1	592.512	3.000	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1	ZINC000097967621	553921096	/nfs/dbraw/zinc/92/10/96/553921096.db2.gz	AXXHLHKPZGRYTI-HSZRJFAPSA-N	0	1	592.512	3.000	50	30		KGEAMN
Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccccn1	ZINC000097967795	553923014	/nfs/dbraw/zinc/92/30/14/553923014.db2.gz	LEIOIZSEWBIEHX-CNHKJKLMSA-N	0	1	549.135	3.426	50	30		KGEAMN
Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1ccncc1	ZINC000097968102	553927296	/nfs/dbraw/zinc/92/72/96/553927296.db2.gz	SJNDMXGVNUDJIV-CNHKJKLMSA-N	0	1	549.135	3.426	50	30		KGEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000097968363	553931361	/nfs/dbraw/zinc/93/13/61/553931361.db2.gz	FQCXJUXTHKVYTR-HHHXNRCGSA-N	0	1	550.608	3.332	50	30		KGEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000097968364	553931651	/nfs/dbraw/zinc/93/16/51/553931651.db2.gz	FQCXJUXTHKVYTR-MHZLTWQESA-N	0	1	550.608	3.332	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000097969068	553936226	/nfs/dbraw/zinc/93/62/26/553936226.db2.gz	PJKJOOYKYNPCAQ-VWLOTQADSA-N	0	1	555.628	3.126	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000097969069	553936277	/nfs/dbraw/zinc/93/62/77/553936277.db2.gz	PJKJOOYKYNPCAQ-RUZDIDTESA-N	0	1	555.628	3.126	50	30		KGEAMN
Cc1cc(C2N=NC(=S)N2N=Cc2cc(I)cc(I)c2O)n[nH]1	ZINC000097969224	553938221	/nfs/dbraw/zinc/93/82/21/553938221.db2.gz	GNWRZBDHGZDRNF-FZSIALSZSA-N	0	1	552.139	3.062	50	30		KGEAMN
Oc1c(I)cc(I)cc1C=NN1C(=S)N=NC1c1n[nH]c2c1CCC2	ZINC000097969833	553945428	/nfs/dbraw/zinc/94/54/28/553945428.db2.gz	NPTJFBDTNPKUNG-NGYBGAFCSA-N	0	1	578.177	3.243	50	30		KGEAMN
CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C)C2=O	ZINC000097999930	554047175	/nfs/dbraw/zinc/04/71/75/554047175.db2.gz	PSMLZCCJKKGSFH-PRYHLVJASA-N	0	1	653.725	3.060	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O	ZINC000098046602	554141260	/nfs/dbraw/zinc/14/12/60/554141260.db2.gz	FLIREKGMZSGVMI-HXUWFJFHSA-N	0	1	533.375	3.074	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O	ZINC000098046603	554141178	/nfs/dbraw/zinc/14/11/78/554141178.db2.gz	FLIREKGMZSGVMI-FQEVSTJZSA-N	0	1	533.375	3.074	50	30		KGEAMN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000098047196	554147645	/nfs/dbraw/zinc/14/76/45/554147645.db2.gz	BAQJXLJESPYHSM-HHHXNRCGSA-N	0	1	585.723	3.416	50	30		KGEAMN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000098047197	554147614	/nfs/dbraw/zinc/14/76/14/554147614.db2.gz	BAQJXLJESPYHSM-MHZLTWQESA-N	0	1	585.723	3.416	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23c2ccccc2N(CC=C)C3=O)cc1	ZINC000098047229	554148022	/nfs/dbraw/zinc/14/80/22/554148022.db2.gz	OYWZLWMHKVXACE-HKBQPEDESA-N	0	1	543.620	3.239	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23c2ccccc2N(CC=C)C3=O)cc1	ZINC000098047230	554147964	/nfs/dbraw/zinc/14/79/64/554147964.db2.gz	OYWZLWMHKVXACE-WJOKGBTCSA-N	0	1	543.620	3.239	50	30		KGEAMN
CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000098047925	554157693	/nfs/dbraw/zinc/15/76/93/554157693.db2.gz	LUDDZRMQSZYQOQ-RUZDIDTESA-N	0	1	555.697	3.145	50	30		KGEAMN
CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000098047926	554157680	/nfs/dbraw/zinc/15/76/80/554157680.db2.gz	LUDDZRMQSZYQOQ-VWLOTQADSA-N	0	1	555.697	3.145	50	30		KGEAMN
CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCc3ccccc3)cc2)c1	ZINC000098047927	554157676	/nfs/dbraw/zinc/15/76/76/554157676.db2.gz	UDTISQIWSHPWAY-GDLZYMKVSA-N	0	1	605.713	3.426	50	30		KGEAMN
CN(C)S(=O)(=O)c1cccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCc3ccccc3)cc2)c1	ZINC000098047928	554157616	/nfs/dbraw/zinc/15/76/16/554157616.db2.gz	UDTISQIWSHPWAY-LJAQVGFWSA-N	0	1	605.713	3.426	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000098047947	554158134	/nfs/dbraw/zinc/15/81/34/554158134.db2.gz	LJOBBVGFEYZHCV-RUZDIDTESA-N	0	1	541.670	3.400	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)=C(O)C(=O)N2CCN(C)C)cc1	ZINC000098047948	554158169	/nfs/dbraw/zinc/15/81/69/554158169.db2.gz	LJOBBVGFEYZHCV-VWLOTQADSA-N	0	1	541.670	3.400	50	30		KGEAMN
Cc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000098047955	554158156	/nfs/dbraw/zinc/15/81/56/554158156.db2.gz	VCTZXIFXOMPQBS-AREMUKBSSA-N	0	1	553.681	3.080	50	30		KGEAMN
Cc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000098047956	554157967	/nfs/dbraw/zinc/15/79/67/554157967.db2.gz	VCTZXIFXOMPQBS-SANMLTNESA-N	0	1	553.681	3.080	50	30		KGEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000098050299	554173577	/nfs/dbraw/zinc/17/35/77/554173577.db2.gz	RAZYFLSMVKKEPQ-AREMUKBSSA-N	0	1	571.696	3.026	50	30		KGEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000098050300	554173684	/nfs/dbraw/zinc/17/36/84/554173684.db2.gz	RAZYFLSMVKKEPQ-SANMLTNESA-N	0	1	571.696	3.026	50	30		KGEAMN
COc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCC2)[nH]c(N2CCOCC2)n1	ZINC000100037772	554191569	/nfs/dbraw/zinc/19/15/69/554191569.db2.gz	ASHJMYILFFFFRC-WSDLNYQXSA-N	0	1	541.248	3.288	50	30		KGEAMN
COc1cc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(OC)c(OC)c3)cc2)nc(OC)n1	ZINC000100081658	554207047	/nfs/dbraw/zinc/20/70/47/554207047.db2.gz	RYMWLGRFYPITEC-VAWYXSNFSA-N	0	1	500.533	3.120	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@@H]2c2cc3c(c(OC)c2OC)OCO3)cc1OC	ZINC000100254985	554263774	/nfs/dbraw/zinc/26/37/74/554263774.db2.gz	BODUWQAHSZBOPT-JOCHJYFZSA-N	0	1	540.569	3.124	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCC3)[C@H]2c2cc3c(c(OC)c2OC)OCO3)cc1OC	ZINC000100254989	554263719	/nfs/dbraw/zinc/26/37/19/554263719.db2.gz	BODUWQAHSZBOPT-QFIPXVFZSA-N	0	1	540.569	3.124	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2	ZINC000100255002	554263798	/nfs/dbraw/zinc/26/37/98/554263798.db2.gz	AZXASKBGEKFQKS-JOCHJYFZSA-N	0	1	540.569	3.124	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN2CCCC2)c(OC)c2c1OCO2	ZINC000100255007	554263714	/nfs/dbraw/zinc/26/37/14/554263714.db2.gz	AZXASKBGEKFQKS-QFIPXVFZSA-N	0	1	540.569	3.124	50	30		KGEAMN
N=C(N)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1	ZINC000100257860	554264959	/nfs/dbraw/zinc/26/49/59/554264959.db2.gz	MMUPNFDLRJKKHE-HXUWFJFHSA-N	0	1	528.949	3.434	50	30		KGEAMN
N=C(N)NS(=O)(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000100257867	554265016	/nfs/dbraw/zinc/26/50/16/554265016.db2.gz	MMUPNFDLRJKKHE-FQEVSTJZSA-N	0	1	528.949	3.434	50	30		KGEAMN
CCCC(=O)C1=C(N2CCN(C3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)CC2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000100319575	554304192	/nfs/dbraw/zinc/30/41/92/554304192.db2.gz	BKXKXLGSNOJLAG-WMPKNSHKSA-N	0	1	586.726	3.427	50	30	biogenic	KGEAMN
CCCC(=O)C1=C(N2CCN(C3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)CC2)CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000100319578	554304223	/nfs/dbraw/zinc/30/42/23/554304223.db2.gz	BKXKXLGSNOJLAG-CLJLJLNGSA-N	0	1	586.726	3.427	50	30	biogenic	KGEAMN
CCCC(=O)C1=C(N2CCN(C3=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C3)CC2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000100319581	554304194	/nfs/dbraw/zinc/30/41/94/554304194.db2.gz	BKXKXLGSNOJLAG-UIOOFZCWSA-N	0	1	586.726	3.427	50	30	biogenic	KGEAMN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000100559630	554417481	/nfs/dbraw/zinc/41/74/81/554417481.db2.gz	YECPICYZGRSIIY-CJJGVWJISA-N	0	1	522.598	3.391	50	30		KGEAMN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000100559633	554417529	/nfs/dbraw/zinc/41/75/29/554417529.db2.gz	YECPICYZGRSIIY-CZNAVJSXSA-N	0	1	522.598	3.391	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000100595430	554430032	/nfs/dbraw/zinc/43/00/32/554430032.db2.gz	VSYMFEFKINBJLT-NPJIAGGLSA-N	0	1	508.571	3.001	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000100595436	554430065	/nfs/dbraw/zinc/43/00/65/554430065.db2.gz	VSYMFEFKINBJLT-IUKMQXEJSA-N	0	1	508.571	3.001	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1OC	ZINC000100675322	554443749	/nfs/dbraw/zinc/44/37/49/554443749.db2.gz	OHZSZZGYWPRPKJ-JOCHJYFZSA-N	0	1	577.428	3.091	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1OC	ZINC000100675326	554443689	/nfs/dbraw/zinc/44/36/89/554443689.db2.gz	OHZSZZGYWPRPKJ-QFIPXVFZSA-N	0	1	577.428	3.091	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1OC	ZINC000100678405	554445052	/nfs/dbraw/zinc/44/50/52/554445052.db2.gz	VKHJVSJSBCLDGE-HXUWFJFHSA-N	0	1	535.391	3.320	50	30		KGEAMN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1OC	ZINC000100678408	554445044	/nfs/dbraw/zinc/44/50/44/554445044.db2.gz	VKHJVSJSBCLDGE-FQEVSTJZSA-N	0	1	535.391	3.320	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23c2ccccc2N(CCC)C3=O)cc1	ZINC000100899450	554514416	/nfs/dbraw/zinc/51/44/16/554514416.db2.gz	WAWLXDMTNFYVEY-HKBQPEDESA-N	0	1	545.636	3.463	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23c2ccccc2N(CCC)C3=O)cc1	ZINC000100899451	554514432	/nfs/dbraw/zinc/51/44/32/554514432.db2.gz	WAWLXDMTNFYVEY-WJOKGBTCSA-N	0	1	545.636	3.463	50	30		KGEAMN
CCN1CCN(c2c(/C=C3\SC(=S)N(CCc4ccc(OC)cc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	ZINC000100912953	554518629	/nfs/dbraw/zinc/51/86/29/554518629.db2.gz	ZBHGLFQRXOWXJV-KQWNVCNZSA-N	0	1	537.711	3.160	50	30		KGEAMN
COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cc(Br)c1O	ZINC000101035973	554565544	/nfs/dbraw/zinc/56/55/44/554565544.db2.gz	CNWJUIGVVHXTAO-KIBLKLHPSA-N	0	1	547.797	3.058	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101062473	554570348	/nfs/dbraw/zinc/57/03/48/554570348.db2.gz	HHVBMGHIUFLRFO-YDJIHCHBSA-N	0	1	516.348	3.111	50	30		KGEAMN
O=C(c1ccc(Br)cc1)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101062474	554570313	/nfs/dbraw/zinc/57/03/13/554570313.db2.gz	HHVBMGHIUFLRFO-NHFXJNLRSA-N	0	1	516.348	3.111	50	30		KGEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1	ZINC000101069874	554574346	/nfs/dbraw/zinc/57/43/46/554574346.db2.gz	SBKQNYSXVYKUHS-ZHHPLPSFSA-N	0	1	543.414	3.364	50	30		KGEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1	ZINC000101069876	554574634	/nfs/dbraw/zinc/57/46/34/554574634.db2.gz	SBKQNYSXVYKUHS-AYWGPLOBSA-N	0	1	543.414	3.364	50	30		KGEAMN
Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)s1	ZINC000101072379	554576281	/nfs/dbraw/zinc/57/62/81/554576281.db2.gz	DZDLBTJFJXNWMX-GHNGSUTGSA-N	0	1	506.422	3.276	50	30		KGEAMN
Cc1nc(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)s1	ZINC000101072381	554576210	/nfs/dbraw/zinc/57/62/10/554576210.db2.gz	DZDLBTJFJXNWMX-SELCWUDQSA-N	0	1	506.422	3.276	50	30		KGEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1	ZINC000101100234	554587144	/nfs/dbraw/zinc/58/71/44/554587144.db2.gz	DSTRAIJUHDDDPH-ZHHPLPSFSA-N	0	1	543.414	3.364	50	30		KGEAMN
O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1	ZINC000101100235	554587105	/nfs/dbraw/zinc/58/71/05/554587105.db2.gz	DSTRAIJUHDDDPH-AYWGPLOBSA-N	0	1	543.414	3.364	50	30		KGEAMN
COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)cc(Br)c1O	ZINC000101130119	554649331	/nfs/dbraw/zinc/64/93/31/554649331.db2.gz	SSUKCSANOVXGAU-MRUKODCESA-N	0	1	547.797	3.058	50	30		KGEAMN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)cc2c1-c1c(cc(S(=O)(=O)N3CCCCC3)cc1[N+](=O)[O-])C2=NO	ZINC000101192793	554670980	/nfs/dbraw/zinc/67/09/80/554670980.db2.gz	GXRUYLTZFRETIW-UHFFFAOYSA-N	0	1	579.613	3.059	50	30		KGEAMN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000101287137	554706405	/nfs/dbraw/zinc/70/64/05/554706405.db2.gz	PJDMOQIWSVIHCL-IUKMQXEJSA-N	0	1	508.571	3.023	50	30		KGEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000101310461	554718120	/nfs/dbraw/zinc/71/81/20/554718120.db2.gz	GPMOCTOTMBIJCF-UUALVTFQSA-N	0	1	550.608	3.175	50	30		KGEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000101310463	554718134	/nfs/dbraw/zinc/71/81/34/554718134.db2.gz	GPMOCTOTMBIJCF-ONQGDUAMSA-N	0	1	550.608	3.175	50	30		KGEAMN
COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NC(O)=CSc3nnnn3-c3ccccc3)c2c1	ZINC000101311092	554718568	/nfs/dbraw/zinc/71/85/68/554718568.db2.gz	LKSOPLXQVZQXGZ-UHFFFAOYSA-N	0	1	556.656	3.478	50	30		KGEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000101313833	554722441	/nfs/dbraw/zinc/72/24/41/554722441.db2.gz	MWWWFGGITUBCPR-KXCNXCNDSA-N	0	1	504.583	3.329	50	30		KGEAMN
C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000101313835	554722479	/nfs/dbraw/zinc/72/24/79/554722479.db2.gz	MWWWFGGITUBCPR-ONLXDWTESA-N	0	1	504.583	3.329	50	30		KGEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000101313838	554722563	/nfs/dbraw/zinc/72/25/63/554722563.db2.gz	MWWWFGGITUBCPR-HUPAGYGUSA-N	0	1	504.583	3.329	50	30		KGEAMN
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000101313839	554722474	/nfs/dbraw/zinc/72/24/74/554722474.db2.gz	MWWWFGGITUBCPR-NKHPTUSLSA-N	0	1	504.583	3.329	50	30		KGEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000101337515	554734349	/nfs/dbraw/zinc/73/43/49/554734349.db2.gz	IVCNAWZBYNLOHK-AREMUKBSSA-N	0	1	553.681	3.080	50	30		KGEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000101337518	554734557	/nfs/dbraw/zinc/73/45/57/554734557.db2.gz	IVCNAWZBYNLOHK-SANMLTNESA-N	0	1	553.681	3.080	50	30		KGEAMN
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Cl)c1	ZINC000101337548	554734631	/nfs/dbraw/zinc/73/46/31/554734631.db2.gz	KQIYMJNMYHMWDK-RUZDIDTESA-N	0	1	574.099	3.425	50	30		KGEAMN
O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Cl)c1	ZINC000101337550	554734615	/nfs/dbraw/zinc/73/46/15/554734615.db2.gz	KQIYMJNMYHMWDK-VWLOTQADSA-N	0	1	574.099	3.425	50	30		KGEAMN
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000101337554	554734668	/nfs/dbraw/zinc/73/46/68/554734668.db2.gz	IYOIKEFULIQPEO-HHHXNRCGSA-N	0	1	567.708	3.470	50	30		KGEAMN
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	ZINC000101337557	554734578	/nfs/dbraw/zinc/73/45/78/554734578.db2.gz	IYOIKEFULIQPEO-MHZLTWQESA-N	0	1	567.708	3.470	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000101337562	554734540	/nfs/dbraw/zinc/73/45/40/554734540.db2.gz	NYAWSWQDDWHTFE-RUZDIDTESA-N	0	1	559.660	3.157	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1	ZINC000101337565	554734566	/nfs/dbraw/zinc/73/45/66/554734566.db2.gz	NYAWSWQDDWHTFE-VWLOTQADSA-N	0	1	559.660	3.157	50	30		KGEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101864284	554844927	/nfs/dbraw/zinc/84/49/27/554844927.db2.gz	GWMQVPAKOKSDJS-NXLSWJSLSA-N	0	1	509.559	3.384	50	30		KGEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101864286	554844863	/nfs/dbraw/zinc/84/48/63/554844863.db2.gz	GWMQVPAKOKSDJS-SBXHHDGASA-N	0	1	509.559	3.384	50	30		KGEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102169949	554891203	/nfs/dbraw/zinc/89/12/03/554891203.db2.gz	ADJQITDRPNDKEF-NXLSWJSLSA-N	0	1	509.559	3.384	50	30		KGEAMN
CC(C)COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102169955	554891293	/nfs/dbraw/zinc/89/12/93/554891293.db2.gz	ADJQITDRPNDKEF-SBXHHDGASA-N	0	1	509.559	3.384	50	30		KGEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C	ZINC000102377704	554918234	/nfs/dbraw/zinc/91/82/34/554918234.db2.gz	SKZOQIXYTISWAD-NXLSWJSLSA-N	0	1	509.559	3.444	50	30		KGEAMN
Cc1cc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C	ZINC000102377708	554918276	/nfs/dbraw/zinc/91/82/76/554918276.db2.gz	SKZOQIXYTISWAD-SBXHHDGASA-N	0	1	509.559	3.444	50	30		KGEAMN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000102490110	554939036	/nfs/dbraw/zinc/93/90/36/554939036.db2.gz	UZIZUGNTJDITFC-KXCNXCNDSA-N	0	1	505.615	3.220	50	30		KGEAMN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(N(C)C)cc3)ccc2O1	ZINC000102490119	554939125	/nfs/dbraw/zinc/93/91/25/554939125.db2.gz	UZIZUGNTJDITFC-ONLXDWTESA-N	0	1	505.615	3.220	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102499040	554941547	/nfs/dbraw/zinc/94/15/47/554941547.db2.gz	XAALXSWGSKBRIZ-HOGKFDNTSA-N	0	1	531.403	3.220	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102499051	554941520	/nfs/dbraw/zinc/94/15/20/554941520.db2.gz	XAALXSWGSKBRIZ-MOBKVPTQSA-N	0	1	531.403	3.220	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000102499256	554941933	/nfs/dbraw/zinc/94/19/33/554941933.db2.gz	SQGZUPVNUHNGEZ-IUKMQXEJSA-N	0	1	510.587	3.165	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1	ZINC000102499265	554941876	/nfs/dbraw/zinc/94/18/76/554941876.db2.gz	SQGZUPVNUHNGEZ-NPJIAGGLSA-N	0	1	510.587	3.165	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C	ZINC000102507803	554945231	/nfs/dbraw/zinc/94/52/31/554945231.db2.gz	DOALKFGSBAJXHG-UVDRRRQGSA-N	0	1	523.630	3.470	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C	ZINC000102507810	554945238	/nfs/dbraw/zinc/94/52/38/554945238.db2.gz	DOALKFGSBAJXHG-ZZIWUOEGSA-N	0	1	523.630	3.470	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102510827	554946225	/nfs/dbraw/zinc/94/62/25/554946225.db2.gz	JVHJRETUTTXUAJ-IUKMQXEJSA-N	0	1	510.587	3.250	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102510839	554946260	/nfs/dbraw/zinc/94/62/60/554946260.db2.gz	JVHJRETUTTXUAJ-NPJIAGGLSA-N	0	1	510.587	3.250	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1C	ZINC000102520148	554949344	/nfs/dbraw/zinc/94/93/44/554949344.db2.gz	OMGWZLWIWDQOLP-BUANBSPESA-N	0	1	513.566	3.091	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1C	ZINC000102520159	554949373	/nfs/dbraw/zinc/94/93/73/554949373.db2.gz	OMGWZLWIWDQOLP-COUQNMRISA-N	0	1	513.566	3.091	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1C	ZINC000102520351	554949326	/nfs/dbraw/zinc/94/93/26/554949326.db2.gz	YEXDCHQNWKRLCR-HFEWCJDKSA-N	0	1	560.445	3.325	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1C	ZINC000102520360	554949364	/nfs/dbraw/zinc/94/93/64/554949364.db2.gz	YEXDCHQNWKRLCR-IAMBOQNYSA-N	0	1	560.445	3.325	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)c1C	ZINC000102522839	554949970	/nfs/dbraw/zinc/94/99/70/554949970.db2.gz	ZDRNXTDHKZNWFI-BUANBSPESA-N	0	1	513.566	3.091	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)c1C	ZINC000102522846	554949931	/nfs/dbraw/zinc/94/99/31/554949931.db2.gz	ZDRNXTDHKZNWFI-COUQNMRISA-N	0	1	513.566	3.091	50	30		KGEAMN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102532060	554954201	/nfs/dbraw/zinc/95/42/01/554954201.db2.gz	YZPIUBCNOCRXIL-IUKMQXEJSA-N	0	1	510.587	3.245	50	30		KGEAMN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102532068	554954167	/nfs/dbraw/zinc/95/41/67/554954167.db2.gz	YZPIUBCNOCRXIL-NPJIAGGLSA-N	0	1	510.587	3.245	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1C	ZINC000102539452	554956969	/nfs/dbraw/zinc/95/69/69/554956969.db2.gz	CEAOSRJYOJBJKR-HFEWCJDKSA-N	0	1	560.445	3.325	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1C	ZINC000102539460	554957049	/nfs/dbraw/zinc/95/70/49/554957049.db2.gz	CEAOSRJYOJBJKR-IAMBOQNYSA-N	0	1	560.445	3.325	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102545702	554959028	/nfs/dbraw/zinc/95/90/28/554959028.db2.gz	DIFVEQSJKFFDFM-AYWGPLOBSA-N	0	1	582.506	3.388	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1	ZINC000102545714	554959048	/nfs/dbraw/zinc/95/90/48/554959048.db2.gz	DIFVEQSJKFFDFM-ZHHPLPSFSA-N	0	1	582.506	3.388	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1	ZINC000102548032	554960271	/nfs/dbraw/zinc/96/02/71/554960271.db2.gz	UBZXTCPYMNEAOW-ZHHPLPSFSA-N	0	1	516.591	3.459	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102548040	554960219	/nfs/dbraw/zinc/96/02/19/554960219.db2.gz	UBZXTCPYMNEAOW-AYWGPLOBSA-N	0	1	516.591	3.459	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)cc1	ZINC000102550706	554961662	/nfs/dbraw/zinc/96/16/62/554961662.db2.gz	WXIVTNXKKPPEMS-ZHHPLPSFSA-N	0	1	514.600	3.025	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1	ZINC000102550712	554961752	/nfs/dbraw/zinc/96/17/52/554961752.db2.gz	WXIVTNXKKPPEMS-AYWGPLOBSA-N	0	1	514.600	3.025	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Br)c(O)c(OC)c1	ZINC000102553192	554963185	/nfs/dbraw/zinc/96/31/85/554963185.db2.gz	PBCYLXGGZQHZLL-YDJIHCHBSA-N	0	1	534.359	3.393	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(Br)c(O)c(OC)c1	ZINC000102553201	554963152	/nfs/dbraw/zinc/96/31/52/554963152.db2.gz	PBCYLXGGZQHZLL-NHFXJNLRSA-N	0	1	534.359	3.393	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000102553260	554963147	/nfs/dbraw/zinc/96/31/47/554963147.db2.gz	HKOAKEDPBQOQNB-BGJULJLKSA-N	0	1	573.440	3.241	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000102553271	554963097	/nfs/dbraw/zinc/96/30/97/554963097.db2.gz	HKOAKEDPBQOQNB-JEFHYQBXSA-N	0	1	573.440	3.241	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(OC)c1	ZINC000102560627	554967987	/nfs/dbraw/zinc/96/79/87/554967987.db2.gz	CVJRPCKDSVMHOO-SBXHHDGASA-N	0	1	528.627	3.328	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(OC)c1	ZINC000102560636	554967928	/nfs/dbraw/zinc/96/79/28/554967928.db2.gz	CVJRPCKDSVMHOO-NXLSWJSLSA-N	0	1	528.627	3.328	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Br)c(O)c(OC)c1	ZINC000102560703	554968070	/nfs/dbraw/zinc/96/80/70/554968070.db2.gz	SWSMBDKDXFMAEQ-LFVOPCPISA-N	0	1	520.332	3.003	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(Br)c(O)c(OC)c1	ZINC000102560709	554968029	/nfs/dbraw/zinc/96/80/29/554968029.db2.gz	SWSMBDKDXFMAEQ-WOOAAIBNSA-N	0	1	520.332	3.003	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(OC)cc1	ZINC000102561441	554968236	/nfs/dbraw/zinc/96/82/36/554968236.db2.gz	SCRQSAKAOZZBOV-SBXHHDGASA-N	0	1	528.627	3.328	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(OC)cc1	ZINC000102561448	554968213	/nfs/dbraw/zinc/96/82/13/554968213.db2.gz	SCRQSAKAOZZBOV-NXLSWJSLSA-N	0	1	528.627	3.328	50	30		KGEAMN
CCOc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)ccc1O	ZINC000102563752	554969169	/nfs/dbraw/zinc/96/91/69/554969169.db2.gz	UGVCHCGSYLRLKB-SBXHHDGASA-N	0	1	544.626	3.034	50	30		KGEAMN
CCOc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)ccc1O	ZINC000102563760	554969120	/nfs/dbraw/zinc/96/91/20/554969120.db2.gz	UGVCHCGSYLRLKB-NXLSWJSLSA-N	0	1	544.626	3.034	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000102563883	554969103	/nfs/dbraw/zinc/96/91/03/554969103.db2.gz	KASBPHHHFZZOEJ-NPJIAGGLSA-N	0	1	542.654	3.289	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000102563890	554969157	/nfs/dbraw/zinc/96/91/57/554969157.db2.gz	KASBPHHHFZZOEJ-IUKMQXEJSA-N	0	1	542.654	3.289	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000102568088	554970028	/nfs/dbraw/zinc/97/00/28/554970028.db2.gz	PQHTWBMCBJLLQI-NHFXJNLRSA-N	0	1	537.432	3.158	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Br)cc1	ZINC000102568092	554970082	/nfs/dbraw/zinc/97/00/82/554970082.db2.gz	PQHTWBMCBJLLQI-YDJIHCHBSA-N	0	1	537.432	3.158	50	30		KGEAMN
COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102573935	554971171	/nfs/dbraw/zinc/97/11/71/554971171.db2.gz	FHSOGXYWTYWGAK-IUKMQXEJSA-N	0	1	528.577	3.384	50	30		KGEAMN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102573945	554971260	/nfs/dbraw/zinc/97/12/60/554971260.db2.gz	FHSOGXYWTYWGAK-NPJIAGGLSA-N	0	1	528.577	3.384	50	30		KGEAMN
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102574907	554971294	/nfs/dbraw/zinc/97/12/94/554971294.db2.gz	QTONXYCSGHJLDM-NXLSWJSLSA-N	0	1	526.561	3.153	50	30		KGEAMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1	ZINC000102574912	554971477	/nfs/dbraw/zinc/97/14/77/554971477.db2.gz	QTONXYCSGHJLDM-SBXHHDGASA-N	0	1	526.561	3.153	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000102588177	554973584	/nfs/dbraw/zinc/97/35/84/554973584.db2.gz	KDDCUHBUFILUJG-CJJGVWJISA-N	0	1	538.597	3.009	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000102588186	554973526	/nfs/dbraw/zinc/97/35/26/554973526.db2.gz	KDDCUHBUFILUJG-CZNAVJSXSA-N	0	1	538.597	3.009	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000102599982	554977630	/nfs/dbraw/zinc/97/76/30/554977630.db2.gz	OSKVYEJVPNDWCV-IUKMQXEJSA-N	0	1	558.603	3.393	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	ZINC000102599988	554977633	/nfs/dbraw/zinc/97/76/33/554977633.db2.gz	OSKVYEJVPNDWCV-NPJIAGGLSA-N	0	1	558.603	3.393	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102611692	554981713	/nfs/dbraw/zinc/98/17/13/554981713.db2.gz	JREKBDPFWAVIGZ-HOGKFDNTSA-N	0	1	500.617	3.303	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102611698	554981682	/nfs/dbraw/zinc/98/16/82/554981682.db2.gz	JREKBDPFWAVIGZ-MOBKVPTQSA-N	0	1	500.617	3.303	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC	ZINC000102619472	554986091	/nfs/dbraw/zinc/98/60/91/554986091.db2.gz	ASQIYMHKNGEHBW-YDJIHCHBSA-N	0	1	525.539	3.270	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2c2nnc(C)s2)cc(OC)c1OC	ZINC000102619479	554986071	/nfs/dbraw/zinc/98/60/71/554986071.db2.gz	ASQIYMHKNGEHBW-NHFXJNLRSA-N	0	1	525.539	3.270	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000102652933	554996910	/nfs/dbraw/zinc/99/69/10/554996910.db2.gz	HKOAKEDPBQOQNB-NMSSPVSYSA-N	0	1	573.440	3.241	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc(Br)c1O	ZINC000102652934	554996801	/nfs/dbraw/zinc/99/68/01/554996801.db2.gz	HKOAKEDPBQOQNB-PNHZJWGWSA-N	0	1	573.440	3.241	50	30		KGEAMN
C=C(C)[C@@H]1CC=C(CN2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000102706539	555015139	/nfs/dbraw/zinc/01/51/39/555015139.db2.gz	FAJNFQIXNWUSNJ-JBBQQGGESA-N	0	1	536.652	3.471	50	30		KGEAMN
CCCC(=O)C1=C(NC[C@H](C)NC2=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000102718349	1059020374	/nfs/dbraw/zinc/02/03/74/1059020374.db2.gz	POBNUWUCYASSAG-WGXRPPGPSA-N	0	1	574.715	3.377	50	30		KGEAMN
CCCC(=O)C1=C(NC[C@H](C)NC2=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C2)CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000102718351	1059020210	/nfs/dbraw/zinc/02/02/10/1059020210.db2.gz	POBNUWUCYASSAG-XNWMQKSCSA-N	0	1	574.715	3.377	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1	ZINC000102800518	555072429	/nfs/dbraw/zinc/07/24/29/555072429.db2.gz	GBIQZOSTRMHFIX-HOGKFDNTSA-N	0	1	502.564	3.068	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1	ZINC000102800520	555072362	/nfs/dbraw/zinc/07/23/62/555072362.db2.gz	GBIQZOSTRMHFIX-MOBKVPTQSA-N	0	1	502.564	3.068	50	30		KGEAMN
Cc1cc(N2CCN(C)CC2)ccc1N(S(=O)(=O)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000102853542	555086836	/nfs/dbraw/zinc/08/68/36/555086836.db2.gz	XXHKXCVJPSRIFM-UHFFFAOYSA-N	0	1	535.651	3.074	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102857852	555089105	/nfs/dbraw/zinc/08/91/05/555089105.db2.gz	LPJNGULNIRPDBI-BUANBSPESA-N	0	1	522.558	3.144	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	ZINC000102857854	555089092	/nfs/dbraw/zinc/08/90/92/555089092.db2.gz	LPJNGULNIRPDBI-COUQNMRISA-N	0	1	522.558	3.144	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000102860488	555090667	/nfs/dbraw/zinc/09/06/67/555090667.db2.gz	FVBIBZUHSOIOFD-NPJIAGGLSA-N	0	1	510.587	3.247	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000102860491	555090614	/nfs/dbraw/zinc/09/06/14/555090614.db2.gz	FVBIBZUHSOIOFD-IUKMQXEJSA-N	0	1	510.587	3.247	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)c1C	ZINC000102860883	555091324	/nfs/dbraw/zinc/09/13/24/555091324.db2.gz	VUZUHRNRTWINNJ-UVDRRRQGSA-N	0	1	509.603	3.261	50	30		KGEAMN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)c1C	ZINC000102860886	555091238	/nfs/dbraw/zinc/09/12/38/555091238.db2.gz	VUZUHRNRTWINNJ-ZZIWUOEGSA-N	0	1	509.603	3.261	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102861281	555091231	/nfs/dbraw/zinc/09/12/31/555091231.db2.gz	FGJOYUPUGBGRRB-AYWGPLOBSA-N	0	1	532.062	3.498	50	30		KGEAMN
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102861283	555091525	/nfs/dbraw/zinc/09/15/25/555091525.db2.gz	FGJOYUPUGBGRRB-ZHHPLPSFSA-N	0	1	532.062	3.498	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000102863565	555093652	/nfs/dbraw/zinc/09/36/52/555093652.db2.gz	UDZXLBHXUFUEAI-NXLSWJSLSA-N	0	1	520.586	3.190	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000102863568	555093593	/nfs/dbraw/zinc/09/35/93/555093593.db2.gz	UDZXLBHXUFUEAI-SBXHHDGASA-N	0	1	520.586	3.190	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102865240	555094933	/nfs/dbraw/zinc/09/49/33/555094933.db2.gz	VOWJNXUUVHCYJF-NPJIAGGLSA-N	0	1	510.587	3.247	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	ZINC000102865242	555094902	/nfs/dbraw/zinc/09/49/02/555094902.db2.gz	VOWJNXUUVHCYJF-IUKMQXEJSA-N	0	1	510.587	3.247	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Br)cc2)c1C	ZINC000102873437	555103813	/nfs/dbraw/zinc/10/38/13/555103813.db2.gz	KPEOLWIPEMPQMF-ZMESVYRVSA-N	0	1	504.381	3.164	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Br)cc2)c1C	ZINC000102873442	555103818	/nfs/dbraw/zinc/10/38/18/555103818.db2.gz	KPEOLWIPEMPQMF-WENBPLFZSA-N	0	1	504.381	3.164	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102873998	555104405	/nfs/dbraw/zinc/10/44/05/555104405.db2.gz	OYCKCYFZUTVGDX-NPJIAGGLSA-N	0	1	510.587	3.165	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102874002	555104375	/nfs/dbraw/zinc/10/43/75/555104375.db2.gz	OYCKCYFZUTVGDX-IUKMQXEJSA-N	0	1	510.587	3.165	50	30		KGEAMN
COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1CCN1CCOCC1	ZINC000102875163	555105214	/nfs/dbraw/zinc/10/52/14/555105214.db2.gz	URESYTOIURUOKR-JBCNATCCSA-N	0	1	501.377	3.212	50	30		KGEAMN
COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1CCN1CCOCC1	ZINC000102875165	555105342	/nfs/dbraw/zinc/10/53/42/555105342.db2.gz	URESYTOIURUOKR-MRJHHRETSA-N	0	1	501.377	3.212	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102875303	555105220	/nfs/dbraw/zinc/10/52/20/555105220.db2.gz	SHVBYXGAEZLRCN-CZNAVJSXSA-N	0	1	524.614	3.498	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN2CCOCC2)ccc1O	ZINC000102875306	555105174	/nfs/dbraw/zinc/10/51/74/555105174.db2.gz	SHVBYXGAEZLRCN-CJJGVWJISA-N	0	1	524.614	3.498	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C	ZINC000102882767	555111075	/nfs/dbraw/zinc/11/10/75/555111075.db2.gz	ARFUOKITEGFBQD-HFEWCJDKSA-N	0	1	515.994	3.216	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C	ZINC000102882770	555111060	/nfs/dbraw/zinc/11/10/60/555111060.db2.gz	ARFUOKITEGFBQD-IAMBOQNYSA-N	0	1	515.994	3.216	50	30		KGEAMN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102883156	555111646	/nfs/dbraw/zinc/11/16/46/555111646.db2.gz	KKPIVRAXGTVQFA-NPJIAGGLSA-N	0	1	510.587	3.165	50	30		KGEAMN
CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	ZINC000102883157	555111629	/nfs/dbraw/zinc/11/16/29/555111629.db2.gz	KKPIVRAXGTVQFA-IUKMQXEJSA-N	0	1	510.587	3.165	50	30		KGEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102883729	555112313	/nfs/dbraw/zinc/11/23/13/555112313.db2.gz	JTVDHQGSKGLIQJ-IUKMQXEJSA-N	0	1	510.587	3.247	50	30		KGEAMN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000102883731	555112239	/nfs/dbraw/zinc/11/22/39/555112239.db2.gz	JTVDHQGSKGLIQJ-NPJIAGGLSA-N	0	1	510.587	3.247	50	30		KGEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@H]2c2ccc(C(=O)OC)cc2)nc1C	ZINC000102884909	555114809	/nfs/dbraw/zinc/11/48/09/555114809.db2.gz	AREWMDOODGRNJT-YDJIHCHBSA-N	0	1	550.545	3.422	50	30		KGEAMN
COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(C(=O)OC)cc2)nc1C	ZINC000102884911	555114838	/nfs/dbraw/zinc/11/48/38/555114838.db2.gz	AREWMDOODGRNJT-NHFXJNLRSA-N	0	1	550.545	3.422	50	30		KGEAMN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102885078	555115087	/nfs/dbraw/zinc/11/50/87/555115087.db2.gz	BQQNJTZYZRPEDB-NPJIAGGLSA-N	0	1	508.571	3.001	50	30		KGEAMN
CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)c1	ZINC000102885079	555115127	/nfs/dbraw/zinc/11/51/27/555115127.db2.gz	BQQNJTZYZRPEDB-IUKMQXEJSA-N	0	1	508.571	3.001	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O	ZINC000102885578	555115806	/nfs/dbraw/zinc/11/58/06/555115806.db2.gz	TXNOKYLXIYATFB-CGOGNACUSA-N	0	1	531.403	3.470	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O	ZINC000102885581	555115739	/nfs/dbraw/zinc/11/57/39/555115739.db2.gz	TXNOKYLXIYATFB-RQBWANKVSA-N	0	1	531.403	3.470	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O	ZINC000102885584	555115716	/nfs/dbraw/zinc/11/57/16/555115716.db2.gz	TXNOKYLXIYATFB-IWUDECAASA-N	0	1	531.403	3.470	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(C)C)cc(Br)c1O	ZINC000102885585	555115724	/nfs/dbraw/zinc/11/57/24/555115724.db2.gz	TXNOKYLXIYATFB-HJFSGKHBSA-N	0	1	531.403	3.470	50	30		KGEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)C(=O)C(=O)N2CCOC)cc1	ZINC000102889399	555123437	/nfs/dbraw/zinc/12/34/37/555123437.db2.gz	JTZWSYWGCKSEIA-NXLSWJSLSA-N	0	1	528.627	3.350	50	30		KGEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)C(=O)C(=O)N2CCOC)cc1	ZINC000102889400	555123614	/nfs/dbraw/zinc/12/36/14/555123614.db2.gz	JTZWSYWGCKSEIA-SBXHHDGASA-N	0	1	528.627	3.350	50	30		KGEAMN
COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)ccc1O	ZINC000102889491	555123720	/nfs/dbraw/zinc/12/37/20/555123720.db2.gz	SXNYTZALQSGBIO-JBCNATCCSA-N	0	1	559.394	3.437	50	30		KGEAMN
COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)ccc1O	ZINC000102889493	555123740	/nfs/dbraw/zinc/12/37/40/555123740.db2.gz	SXNYTZALQSGBIO-MRJHHRETSA-N	0	1	559.394	3.437	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(O)c(OC)c1	ZINC000102892039	555128068	/nfs/dbraw/zinc/12/80/68/555128068.db2.gz	KKFDRAVMLYSMKA-SBXHHDGASA-N	0	1	544.626	3.034	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(O)c(OC)c1	ZINC000102892041	555128076	/nfs/dbraw/zinc/12/80/76/555128076.db2.gz	KKFDRAVMLYSMKA-NXLSWJSLSA-N	0	1	544.626	3.034	50	30		KGEAMN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)cc1	ZINC000102895412	555134279	/nfs/dbraw/zinc/13/42/79/555134279.db2.gz	VZXNASMACCNPDX-NPJIAGGLSA-N	0	1	540.638	3.494	50	30		KGEAMN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)C(=O)C(=O)N2CCOC)cc1	ZINC000102895413	555134320	/nfs/dbraw/zinc/13/43/20/555134320.db2.gz	VZXNASMACCNPDX-IUKMQXEJSA-N	0	1	540.638	3.494	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Br)c1	ZINC000102895998	555135489	/nfs/dbraw/zinc/13/54/89/555135489.db2.gz	UTDITQASRXGTMP-NHFXJNLRSA-N	0	1	537.432	3.158	50	30		KGEAMN
COCCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Br)c1	ZINC000102896000	555135431	/nfs/dbraw/zinc/13/54/31/555135431.db2.gz	UTDITQASRXGTMP-YDJIHCHBSA-N	0	1	537.432	3.158	50	30		KGEAMN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000102897171	555137500	/nfs/dbraw/zinc/13/75/00/555137500.db2.gz	QBRROGKFONZWFD-UUALVTFQSA-N	0	1	552.624	3.399	50	30		KGEAMN
CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN2CCOCC2)cc1OCC	ZINC000102897173	555137521	/nfs/dbraw/zinc/13/75/21/555137521.db2.gz	QBRROGKFONZWFD-ONQGDUAMSA-N	0	1	552.624	3.399	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102898034	555138296	/nfs/dbraw/zinc/13/82/96/555138296.db2.gz	CPWBLXNRVJKRDF-WOOAAIBNSA-N	0	1	513.399	3.312	50	30		KGEAMN
COCCN1C(=O)C(=O)C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102898038	555138188	/nfs/dbraw/zinc/13/81/88/555138188.db2.gz	CPWBLXNRVJKRDF-LFVOPCPISA-N	0	1	513.399	3.312	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102925236	555149383	/nfs/dbraw/zinc/14/93/83/555149383.db2.gz	SFQBNGIKVRHNMZ-IUKMQXEJSA-N	0	1	510.587	3.247	50	30		KGEAMN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1	ZINC000102925239	555149404	/nfs/dbraw/zinc/14/94/04/555149404.db2.gz	SFQBNGIKVRHNMZ-NPJIAGGLSA-N	0	1	510.587	3.247	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000102925442	555149721	/nfs/dbraw/zinc/14/97/21/555149721.db2.gz	JUOTUJZWLQRIBB-MRJHHRETSA-N	0	1	501.923	3.011	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000102925445	555149702	/nfs/dbraw/zinc/14/97/02/555149702.db2.gz	JUOTUJZWLQRIBB-JBCNATCCSA-N	0	1	501.923	3.011	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1Cl	ZINC000102927795	555152673	/nfs/dbraw/zinc/15/26/73/555152673.db2.gz	ULPVSCYBQKRBIH-MOBKVPTQSA-N	0	1	516.978	3.120	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C	ZINC000102928352	555153699	/nfs/dbraw/zinc/15/36/99/555153699.db2.gz	HPUYFHSBKSXPHB-HFEWCJDKSA-N	0	1	515.994	3.216	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C	ZINC000102928353	555153768	/nfs/dbraw/zinc/15/37/68/555153768.db2.gz	HPUYFHSBKSXPHB-IAMBOQNYSA-N	0	1	515.994	3.216	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000102931017	555158257	/nfs/dbraw/zinc/15/82/57/555158257.db2.gz	FLOQZLKWLRGKKE-MRJHHRETSA-N	0	1	501.923	3.011	50	30		KGEAMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000102931020	555158300	/nfs/dbraw/zinc/15/83/00/555158300.db2.gz	FLOQZLKWLRGKKE-JBCNATCCSA-N	0	1	501.923	3.011	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Br)c2)c1C	ZINC000102931803	555159361	/nfs/dbraw/zinc/15/93/61/555159361.db2.gz	OTJKXSNUPJZOJG-ZMESVYRVSA-N	0	1	504.381	3.164	50	30		KGEAMN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(Br)c2)c1C	ZINC000102931806	555159404	/nfs/dbraw/zinc/15/94/04/555159404.db2.gz	OTJKXSNUPJZOJG-WENBPLFZSA-N	0	1	504.381	3.164	50	30		KGEAMN
CCCCCCCCC(=O)N1CCN(c2nc(CN3CCN(Cc4ccccc4)CC3)cc(=O)[nH]2)CC1	ZINC000102996092	555195411	/nfs/dbraw/zinc/19/54/11/555195411.db2.gz	OCYIZIFLUCHGPT-UHFFFAOYSA-N	0	1	508.711	3.487	50	30		KGEAMN
Cc1c(C#N)c2nc3ccccc3n2c(O)c1C=C1C(=O)NN(c2ccc(I)cc2)C1=O	ZINC000103897021	571368834	/nfs/dbraw/zinc/36/88/34/571368834.db2.gz	IQHOQFLOZITFFA-MHWRWJLKSA-N	0	1	535.301	3.439	50	30		KGEAMN
CC(C)(C)CNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NCC(C)(C)C)cc1[N+](=O)[O-])C2=NO	ZINC000104156050	571375597	/nfs/dbraw/zinc/37/55/97/571375597.db2.gz	AARXRBZRGQZENB-UHFFFAOYSA-N	0	1	583.645	3.359	50	30		KGEAMN
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)o1	ZINC000105965130	571409555	/nfs/dbraw/zinc/40/95/55/571409555.db2.gz	YFENHDNFHWFQDC-LICLKQGHSA-N	0	1	527.411	3.093	50	30		KGEAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc(N)c(C#N)c(C(C)C)c3C#N)cc2)n1	ZINC000135807889	571449026	/nfs/dbraw/zinc/44/90/26/571449026.db2.gz	NTFUIYCWEOHQQM-UHFFFAOYSA-N	0	1	536.643	3.469	50	30		KGEAMN
N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccco3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccco3)N=C(N)N2)cc1C#N	ZINC000150426950	571491100	/nfs/dbraw/zinc/49/11/00/571491100.db2.gz	UNRHPDAVPKOOCE-VMPREFPWSA-N	0	1	720.801	3.496	50	30		KGEAMN
N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccco3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccco3)N=C(N)N2)cc1C#N	ZINC000150426964	571491086	/nfs/dbraw/zinc/49/10/86/571491086.db2.gz	UNRHPDAVPKOOCE-FQLXRVMXSA-N	0	1	720.801	3.496	50	30		KGEAMN
CCSCCOC(=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	ZINC000169692374	571558603	/nfs/dbraw/zinc/55/86/03/571558603.db2.gz	PDQVVNCQRZRKFZ-GCKAQTDUSA-N	0	1	534.587	3.218	50	30		KGEAMN
CCSCCOC(=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	ZINC000229917476	572169019	/nfs/dbraw/zinc/16/90/19/572169019.db2.gz	PDQVVNCQRZRKFZ-UOXRKKOCSA-N	0	1	534.587	3.218	50	30		KGEAMN
Cc1cccc(C=N/N=C2\NC(=O)C(C)S2)c1OS(=O)(=O)c1ccc(I)cc1	ZINC000245285407	1060003001	/nfs/dbraw/zinc/00/30/01/1060003001.db2.gz	XCAAKUQDUQALHO-GFCCVEGCSA-N	0	1	529.381	3.309	50	30		KGEAMN
Cc1cccc(C=N/N=C2\NC(=O)C(C)S2)c1OS(=O)(=O)c1ccc(I)cc1	ZINC000245285408	1060002909	/nfs/dbraw/zinc/00/29/09/1060002909.db2.gz	XCAAKUQDUQALHO-LBPRGKRZSA-N	0	1	529.381	3.309	50	30		KGEAMN
CCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(I)cc3)c2)NC1=O	ZINC000252581822	1059543275	/nfs/dbraw/zinc/54/32/75/1059543275.db2.gz	NIXLXVZFLDRYLL-INIZCTEOSA-N	0	1	529.381	3.390	50	30		KGEAMN
CCC1S/C(=N/N=Cc2cccc(OS(=O)(=O)c3ccc(I)cc3)c2)NC1=O	ZINC000252581823	1059543213	/nfs/dbraw/zinc/54/32/13/1059543213.db2.gz	NIXLXVZFLDRYLL-MRXNPFEDSA-N	0	1	529.381	3.390	50	30		KGEAMN
Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)c(C=NN=C2NC(=O)C(C)S2)c1	ZINC000252591206	572266701	/nfs/dbraw/zinc/26/67/01/572266701.db2.gz	AYZQBMKWVVUACR-GFCCVEGCSA-N	0	1	529.381	3.309	50	30		KGEAMN
Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)c(C=NN=C2NC(=O)C(C)S2)c1	ZINC000252591207	572266664	/nfs/dbraw/zinc/26/66/64/572266664.db2.gz	AYZQBMKWVVUACR-LBPRGKRZSA-N	0	1	529.381	3.309	50	30		KGEAMN
COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000252609383	572268032	/nfs/dbraw/zinc/26/80/32/572268032.db2.gz	HSVXJVVVAXYIKU-UHFFFAOYSA-N	0	1	548.629	3.401	50	30		KGEAMN
Oc1c(Br)cc(Br)cc1C=NN=c1nc(N2CCCCC2)[nH]c(N2CCOCC2)n1	ZINC000252621417	572269684	/nfs/dbraw/zinc/26/96/84/572269684.db2.gz	MYCGGPJWWUJILY-UHFFFAOYSA-N	0	1	541.248	3.375	50	30		KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1	ZINC000252679627	572281422	/nfs/dbraw/zinc/28/14/22/572281422.db2.gz	PJDZVGORNGZUSW-ATAWEGFHSA-N	0	1	554.688	3.266	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)NC34CC5CC(CC(C5)C3)C4)C1=O)O2	ZINC000253396019	572283869	/nfs/dbraw/zinc/28/38/69/572283869.db2.gz	ASZJOBBZVRICAY-LKQZUGMOSA-N	0	1	534.609	3.243	50	30		KGEAMN
COc1ccccc1-c1noc(CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)n1	ZINC000253397089	572284351	/nfs/dbraw/zinc/28/43/51/572284351.db2.gz	BJJPRIVILMKBDN-JVELKTRGSA-N	0	1	531.521	3.417	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCC(=O)Nc3ccnn3C(C)C)C1=O)O2	ZINC000253399671	572284883	/nfs/dbraw/zinc/28/48/83/572284883.db2.gz	DEOTYFNECVFCOG-HACONHBVSA-N	0	1	536.585	3.355	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCn3c4ccccc4nc3[C@@H](C)O)C1=O)O2	ZINC000253400011	572284869	/nfs/dbraw/zinc/28/48/69/572284869.db2.gz	DOSNWMQUQPEPMD-ANQUUASUSA-N	0	1	531.565	3.261	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCn3c4ccccc4nc3[C@H](C)O)C1=O)O2	ZINC000253400015	572284851	/nfs/dbraw/zinc/28/48/51/572284851.db2.gz	DOSNWMQUQPEPMD-NRUGWAGCSA-N	0	1	531.565	3.261	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3noc(-c4ccccc4)n3)C1=O)O2	ZINC000253400121	572285034	/nfs/dbraw/zinc/28/50/34/572285034.db2.gz	DQKRMDOPJLQSPR-OEJOPCPASA-N	0	1	501.495	3.408	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC(=O)N3CCCc4ccccc43)C1=O)O2	ZINC000253404873	572286065	/nfs/dbraw/zinc/28/60/65/572286065.db2.gz	HZXLUXDNSZPSEN-NKVKBKOUSA-N	0	1	516.550	3.138	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@H]3C(=O)Nc4ccc(F)cc43)C1=O)O2	ZINC000253404992	572286063	/nfs/dbraw/zinc/28/60/63/572286063.db2.gz	IBCRQYKNCCUPHS-BFKZTSMISA-N	0	1	520.513	3.423	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCC[C@@H]3C(=O)Nc4ccc(F)cc43)C1=O)O2	ZINC000253404994	572286058	/nfs/dbraw/zinc/28/60/58/572286058.db2.gz	IBCRQYKNCCUPHS-QXNHOBAISA-N	0	1	520.513	3.423	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNC(=O)c3cc4ccccc4n3C)C1=O)O2	ZINC000253405768	572286334	/nfs/dbraw/zinc/28/63/34/572286334.db2.gz	IMAWKZHSSJRSHD-OYHZYZDDSA-N	0	1	543.576	3.080	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3nc(-c4ccccc4)no3)C1=O)O2	ZINC000253406001	572286270	/nfs/dbraw/zinc/28/62/70/572286270.db2.gz	IQHJVXPAUBLEIC-OEJOPCPASA-N	0	1	501.495	3.408	50	30		KGEAMN
COc1ccc(NC(=O)CCNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253407140	572286573	/nfs/dbraw/zinc/28/65/73/572286573.db2.gz	JOFXXRXDGBDTEC-BSKIJULFSA-N	0	1	520.538	3.196	50	30		KGEAMN
CC(=O)Nc1ccc(NC(=O)CCNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000253409072	572287045	/nfs/dbraw/zinc/28/70/45/572287045.db2.gz	LJGGQASOTQCNQU-UDKXPFRISA-N	0	1	547.564	3.145	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCCc3nc(-c4ccco4)no3)C1=O)O2	ZINC000253410131	572287340	/nfs/dbraw/zinc/28/73/40/572287340.db2.gz	MWJHJIPJKOBQMM-OEJOPCPASA-N	0	1	519.510	3.434	50	30		KGEAMN
COc1ccc(CCNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1OC	ZINC000253410266	572287338	/nfs/dbraw/zinc/28/73/38/572287338.db2.gz	NCCIHORTWJVOQX-BSKIJULFSA-N	0	1	507.539	3.418	50	30		KGEAMN
COc1ccc(CCNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@]3(C)C2=O)cc1OC	ZINC000253410269	572287380	/nfs/dbraw/zinc/28/73/80/572287380.db2.gz	NCCIHORTWJVOQX-GHMVGRGESA-N	0	1	507.539	3.418	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)N3CCc4ccccc43)C1=O)O2	ZINC000253411239	572287473	/nfs/dbraw/zinc/28/74/73/572287473.db2.gz	OJTAOWVJOTWDJJ-NKVKBKOUSA-N	0	1	516.550	3.138	50	30		KGEAMN
COc1ccc(NC(=O)CCNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c(OC)c1	ZINC000253411287	572287531	/nfs/dbraw/zinc/28/75/31/572287531.db2.gz	OLAVTAMEHDFCPT-UDKXPFRISA-N	0	1	550.564	3.204	50	30		KGEAMN
COc1ccc(-c2noc(CCNC(C)=C3C(=O)C=C4Oc5c(c(O)c(C)c(O)c5C(C)=O)[C@@]4(C)C3=O)n2)cc1OC	ZINC000253411321	572287575	/nfs/dbraw/zinc/28/75/75/572287575.db2.gz	OLZKIZSNPIFVEX-CGVHCUEWSA-N	0	1	575.574	3.468	50	30		KGEAMN
COc1ccccc1NC(=O)CCNC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000253411374	572287480	/nfs/dbraw/zinc/28/74/80/572287480.db2.gz	ONVSFEAEWQQJHW-BSKIJULFSA-N	0	1	520.538	3.196	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3nnc(-c4ccccc4O)o3)C1=O)O2	ZINC000253411445	572287568	/nfs/dbraw/zinc/28/75/68/572287568.db2.gz	OPUNXFQROKSAOZ-JVELKTRGSA-N	0	1	531.521	3.157	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCC(=O)N(C)c3ccccc3)C1=O)O2	ZINC000253411735	572287725	/nfs/dbraw/zinc/28/77/25/572287725.db2.gz	PAQVOFQEYDDANH-HACONHBVSA-N	0	1	504.539	3.211	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCNC(=O)c3cc4ccccc4[nH]3)C1=O)O2	ZINC000253411776	572287629	/nfs/dbraw/zinc/28/76/29/572287629.db2.gz	PCBWWYMGCVAGQD-YUFDSAJQSA-N	0	1	529.549	3.070	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3nc(COc4ccccc4)no3)C1=O)O2	ZINC000253412243	572287797	/nfs/dbraw/zinc/28/77/97/572287797.db2.gz	QHSKTXIVDNQGKT-BSKIJULFSA-N	0	1	531.521	3.320	50	30		KGEAMN
COc1ccc(-c2noc(CNC(C)=C3C(=O)C=C4Oc5c(c(O)c(C)c(O)c5C(C)=O)[C@@]4(C)C3=O)n2)cc1OC	ZINC000253412512	572288117	/nfs/dbraw/zinc/28/81/17/572288117.db2.gz	RFMZNOVVZRVZFA-BCMZQPROSA-N	0	1	561.547	3.426	50	30		KGEAMN
COc1ccc2c(c1)[C@H](CCNC(C)=C1C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C1=O)C(=O)N2	ZINC000253412675	572288053	/nfs/dbraw/zinc/28/80/53/572288053.db2.gz	RRSOMZYJPLJNCY-GYULNYHPSA-N	0	1	532.549	3.293	50	30		KGEAMN
COc1ccc2c(c1)[C@@H](CCNC(C)=C1C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C1=O)C(=O)N2	ZINC000253412676	572288013	/nfs/dbraw/zinc/28/80/13/572288013.db2.gz	RRSOMZYJPLJNCY-ZKCSHKSHSA-N	0	1	532.549	3.293	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3nc(-c4ccco4)no3)C1=O)O2	ZINC000253412940	572288203	/nfs/dbraw/zinc/28/82/03/572288203.db2.gz	SOGXMZIJMVTAEV-ICCXZJDVSA-N	0	1	505.483	3.044	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCc3nc(Cc4cccs4)no3)C1=O)O2	ZINC000253412992	572288403	/nfs/dbraw/zinc/28/84/03/572288403.db2.gz	SRPLKBADUHKUNR-CTSWPSOHSA-N	0	1	521.551	3.394	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3nc(-c4ccccc4)no3)C1=O)O2	ZINC000253413367	572288536	/nfs/dbraw/zinc/28/85/36/572288536.db2.gz	UPLBPOKMKYHTTH-FKCOHSBYSA-N	0	1	515.522	3.451	50	30		KGEAMN
COc1ccc2nc(NC(=O)CNC(C)=C3C(=O)C=C4Oc5c(c(O)c(C)c(O)c5C(C)=O)[C@@]4(C)C3=O)sc2c1	ZINC000253413667	572288553	/nfs/dbraw/zinc/28/85/53/572288553.db2.gz	VJRRBJFGQZYRSC-XGOYUMGASA-N	0	1	563.588	3.415	50	30		KGEAMN
COc1cc(CCNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c([N+](=O)[O-])cc1OC	ZINC000253413769	572288786	/nfs/dbraw/zinc/28/87/86/572288786.db2.gz	VPXSQPPVSRPNBA-PPOGSYTESA-N	0	1	552.536	3.326	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NCCc3nc4ccccc4n3C)C1=O)O2	ZINC000253414067	572288773	/nfs/dbraw/zinc/28/87/73/572288773.db2.gz	WJNXSKVYBWGBPH-BSKIJULFSA-N	0	1	501.539	3.288	50	30		KGEAMN
COc1ccc(-c2noc(CCNC(C)=C3C(=O)C=C4Oc5c(c(O)c(C)c(O)c5C(C)=O)[C@@]4(C)C3=O)n2)cc1	ZINC000253414072	572288754	/nfs/dbraw/zinc/28/87/54/572288754.db2.gz	WJXXNXHIALMXOD-YUFDSAJQSA-N	0	1	545.548	3.460	50	30		KGEAMN
COCCn1c(CNC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)nc2ccccc21	ZINC000253414197	572288847	/nfs/dbraw/zinc/28/88/47/572288847.db2.gz	WSYSOUPDRHJTCF-NKVKBKOUSA-N	0	1	531.565	3.355	50	30		KGEAMN
CCCCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc1)c2=O	ZINC000253498341	572292500	/nfs/dbraw/zinc/29/25/00/572292500.db2.gz	KCTBPHHYESJCDU-BTRWLOMLSA-N	0	1	544.597	3.084	50	30		KGEAMN
CCCCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc1)c2=O	ZINC000253498342	572292492	/nfs/dbraw/zinc/29/24/92/572292492.db2.gz	KCTBPHHYESJCDU-FEBBAWHISA-N	0	1	544.597	3.084	50	30		KGEAMN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12	ZINC000253501541	572294764	/nfs/dbraw/zinc/29/47/64/572294764.db2.gz	BULBTDPFRMAGQW-CMQLXZOASA-N	0	1	524.662	3.472	50	30		KGEAMN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12	ZINC000253501542	572294786	/nfs/dbraw/zinc/29/47/86/572294786.db2.gz	BULBTDPFRMAGQW-MXXMSSIWSA-N	0	1	524.662	3.472	50	30		KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]12	ZINC000253501543	572294724	/nfs/dbraw/zinc/29/47/24/572294724.db2.gz	BULBTDPFRMAGQW-NGOFASLSSA-N	0	1	524.662	3.472	50	30		KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@H]3CC[C@](C)(O)[C@]3(C)CC[C@H]12	ZINC000253501544	572294755	/nfs/dbraw/zinc/29/47/55/572294755.db2.gz	BULBTDPFRMAGQW-XYXKBGQISA-N	0	1	524.662	3.472	50	30		KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	ZINC000253533670	572299527	/nfs/dbraw/zinc/29/95/27/572299527.db2.gz	PJDZVGORNGZUSW-RDYGGXDKSA-N	0	1	554.688	3.266	50	30		KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1	ZINC000253533672	572299516	/nfs/dbraw/zinc/29/95/16/572299516.db2.gz	PJDZVGORNGZUSW-WKPYSDFXSA-N	0	1	554.688	3.266	50	30		KGEAMN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CON=C1C=C2CC[C@@H]3[C@H]4CC[C@](O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	ZINC000253533674	572299543	/nfs/dbraw/zinc/29/95/43/572299543.db2.gz	PJDZVGORNGZUSW-ZCPNDPPOSA-N	0	1	554.688	3.266	50	30		KGEAMN
O=c1c2cnn(-c3ccccc3)c2ncn1N=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1	ZINC000254413949	1060009802	/nfs/dbraw/zinc/00/98/02/1060009802.db2.gz	FWUSBTITJXQIFJ-UHFFFAOYSA-N	0	1	538.549	3.315	50	30		KGEAMN
COc1ccccc1NC(=O)C(N=Nc1cccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1)C(C)=O	ZINC000254452094	1060010669	/nfs/dbraw/zinc/01/06/69/1060010669.db2.gz	ZVFBMINNEYWYCJ-UHFFFAOYSA-N	0	1	576.635	3.289	50	30		KGEAMN
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c(C)nn2c1nc(N1CCOCC1)c1ccccc12	ZINC000254706801	1060014276	/nfs/dbraw/zinc/01/42/76/1060014276.db2.gz	BBQNQVLZUSANCM-UHFFFAOYSA-N	0	1	566.644	3.412	50	30		KGEAMN
C=CCn1c(=O)c(=Cc2cc(Br)cc(Br)c2O)sc1=C(C#N)c1nnc2n1CCCCC2	ZINC000254868015	1060018325	/nfs/dbraw/zinc/01/83/25/1060018325.db2.gz	ISNCZHMCMSDQDU-UHFFFAOYSA-N	0	1	577.302	3.196	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCN(C(=O)c4ccccc4)CC3)C1=O)O2	ZINC000263584749	1059532518	/nfs/dbraw/zinc/53/25/18/1059532518.db2.gz	ADLYUNNCACNACI-VSNJZNDESA-N	0	1	530.577	3.463	50	30		KGEAMN
CSCC[C@H](NC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000263584985	572115894	/nfs/dbraw/zinc/11/58/94/572115894.db2.gz	CTRWRQPXECUMCU-YXUMBIKBSA-N	0	1	647.750	3.088	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](c3ncn(C)n3)c3ccccc3)C1=O)O2	ZINC000263585036	572116556	/nfs/dbraw/zinc/11/65/56/572116556.db2.gz	DIVOTHCMLATOEH-KGLMOEFKSA-N	0	1	514.538	3.076	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H](c3ncn(C)n3)c3ccccc3)C1=O)O2	ZINC000263585037	572116436	/nfs/dbraw/zinc/11/64/36/572116436.db2.gz	DIVOTHCMLATOEH-ULUWHMGGSA-N	0	1	514.538	3.076	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCN(c4ncccc4C#N)CC3)C1=O)O2	ZINC000263585100	572117041	/nfs/dbraw/zinc/11/70/41/572117041.db2.gz	FBEBBYQHIBFJJM-PEEFESNKSA-N	0	1	528.565	3.094	50	30		KGEAMN
COc1ccc([C@@H](NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2ncn(C)n2)cc1	ZINC000263585216	572117645	/nfs/dbraw/zinc/11/76/45/572117645.db2.gz	GJVMVXFVCYMTFL-NDWFUAEBSA-N	0	1	544.564	3.085	50	30		KGEAMN
COc1ccc([C@H](NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)c2ncn(C)n2)cc1	ZINC000263585217	572117713	/nfs/dbraw/zinc/11/77/13/572117713.db2.gz	GJVMVXFVCYMTFL-YFVREMBTSA-N	0	1	544.564	3.085	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)C1=O)O2	ZINC000263585325	572117726	/nfs/dbraw/zinc/11/77/26/572117726.db2.gz	HJDVMYJWFHUYDE-XCXVXJFUSA-N	0	1	580.659	3.320	50	30		KGEAMN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CNC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000263585393	572118061	/nfs/dbraw/zinc/11/80/61/572118061.db2.gz	IBVVSNIFEHFOGD-CSERDKLNSA-N	0	1	549.532	3.087	50	30		KGEAMN
COc1ccc2c(c1OC)C(=O)O[C@H]2CNC(C)=C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(C)=O)[C@@]2(C)C1=O	ZINC000263585394	572118255	/nfs/dbraw/zinc/11/82/55/572118255.db2.gz	IBVVSNIFEHFOGD-IKPBTINWSA-N	0	1	549.532	3.087	50	30		KGEAMN
COCCc1noc([C@@H](CCSC)NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)n1	ZINC000263585905	572120951	/nfs/dbraw/zinc/12/09/51/572120951.db2.gz	NSBQNFNUBWAKEE-DMIKTBBSSA-N	0	1	557.625	3.225	50	30		KGEAMN
COCCc1noc([C@H](CCSC)NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)n1	ZINC000263585906	572121217	/nfs/dbraw/zinc/12/12/17/572121217.db2.gz	NSBQNFNUBWAKEE-NQJFZWKNSA-N	0	1	557.625	3.225	50	30		KGEAMN
COc1ccc(C(=O)N2CCC(NC(C)=C3C(=O)C=C4Oc5c(c(O)c(C)c(O)c5C(C)=O)[C@@]4(C)C3=O)CC2)cc1	ZINC000263586262	572122423	/nfs/dbraw/zinc/12/24/23/572122423.db2.gz	RVSPDHSIGJKLSE-FXRPLLGDSA-N	0	1	560.603	3.472	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)NC3CCN(C(=O)c4ccco4)CC3)C1=O)O2	ZINC000263586439	572123775	/nfs/dbraw/zinc/12/37/75/572123775.db2.gz	UMGZXAWJHTVYTI-FKCOHSBYSA-N	0	1	520.538	3.056	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H](CC(C)C)C(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C1=O)O2	ZINC000263586885	572125936	/nfs/dbraw/zinc/12/59/36/572125936.db2.gz	ZHVRQQNIKWXLPU-SFAXKQQJSA-N	0	1	629.710	3.381	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@@H]3CCc4ccccc4NC3=O)C1=O)O2	ZINC000263586928	572125947	/nfs/dbraw/zinc/12/59/47/572125947.db2.gz	ZUEHTDOIHXTCDJ-IUNXGVOISA-N	0	1	502.523	3.112	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)N[C@H]3CCc4ccccc4NC3=O)C1=O)O2	ZINC000263586929	572125669	/nfs/dbraw/zinc/12/56/69/572125669.db2.gz	ZUEHTDOIHXTCDJ-ZKPCHYAVSA-N	0	1	502.523	3.112	50	30		KGEAMN
COCC(=O)Nc1ccc(NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1	ZINC000604404227	1059562649	/nfs/dbraw/zinc/56/26/49/1059562649.db2.gz	ABZKSKVHBLDAPQ-PGSXWIQSSA-N	0	1	506.511	3.266	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc(Cn4cncn4)cc3)C1=O)O2	ZINC000604405184	1059565742	/nfs/dbraw/zinc/56/57/42/1059565742.db2.gz	MJDMENYGBRNJLS-LZNHGYHVSA-N	0	1	500.511	3.321	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)C1=O)O2	ZINC000604405221	1059566348	/nfs/dbraw/zinc/56/63/48/1059566348.db2.gz	NWCYJGWHFIURTG-NOORWFIYSA-N	0	1	557.559	3.237	50	30		KGEAMN
COc1cc(NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)ccc1N1CCCS1(=O)=O	ZINC000604405421	1059566871	/nfs/dbraw/zinc/56/68/71/1059566871.db2.gz	SITMQBVAJFQGNU-BSKIJULFSA-N	0	1	568.604	3.229	50	30		KGEAMN
CCCC(=O)C1=C(N[C@@H](C)CNC2=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000822747957	1059570234	/nfs/dbraw/zinc/57/02/34/1059570234.db2.gz	POBNUWUCYASSAG-AJHZIAPWSA-N	0	1	574.715	3.377	50	30		KGEAMN
CCCC(=O)C1=C(NC[C@H](C)NC2=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000822747958	1059570058	/nfs/dbraw/zinc/57/00/58/1059570058.db2.gz	POBNUWUCYASSAG-HDBFHEOPSA-N	0	1	574.715	3.377	50	30		KGEAMN
COc1ccc(NC(C)=C2C(=O)C=C3Oc4c(c(O)c(C)c(O)c4C(C)=O)[C@@]3(C)C2=O)cc1N1CCCS1(=O)=O	ZINC000824726351	1059573591	/nfs/dbraw/zinc/57/35/91/1059573591.db2.gz	KAKVYTGBBPYGBP-BSKIJULFSA-N	0	1	568.604	3.229	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)Nc3ccc4c(c3)C(=O)N3CCC[C@H]3C(=O)N4)C1=O)O2	ZINC000888090254	1059131681	/nfs/dbraw/zinc/13/16/81/1059131681.db2.gz	NWCYJGWHFIURTG-GXUGTPQFSA-N	0	1	557.559	3.237	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)C1=O)O2	ZINC000888090255	1059131764	/nfs/dbraw/zinc/13/17/64/1059131764.db2.gz	NWCYJGWHFIURTG-ONHQQMHYSA-N	0	1	557.559	3.237	50	30		KGEAMN
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)Nc3ccc4c(c3)C(=O)N3CCC[C@@H]3C(=O)N4)C1=O)O2	ZINC000888090256	1059131607	/nfs/dbraw/zinc/13/16/07/1059131607.db2.gz	NWCYJGWHFIURTG-RCNHOCHMSA-N	0	1	557.559	3.237	50	30		KGEAMN