smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013551917	522172118	/nfs/dbraw/zinc/17/21/18/522172118.db2.gz	WDVVJBPCYLSYAX-FQEVSTJZSA-N	0	3	438.480	2.622	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c(OC)c1	ZINC000013736532	556722799	/nfs/dbraw/zinc/72/27/99/556722799.db2.gz	YCHFSZCHJWVPIT-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020119900	556987570	/nfs/dbraw/zinc/98/75/70/556987570.db2.gz	VHCASVUWSDYUST-NRFANRHFSA-N	0	3	440.496	2.852	50	30		IFEAHN
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)c1	ZINC000023074938	556995359	/nfs/dbraw/zinc/99/53/59/556995359.db2.gz	DPEPNZWQVAXNSH-QFIPXVFZSA-N	0	3	445.585	2.972	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccnc1	ZINC000102502410	557339039	/nfs/dbraw/zinc/33/90/39/557339039.db2.gz	YTNBVBWQQJHEQE-QOJBNDRUSA-N	0	3	433.512	2.720	50	30		IFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102731920	557371754	/nfs/dbraw/zinc/37/17/54/557371754.db2.gz	HWJZMNXEPHRPRL-LFVOPCPISA-N	0	3	428.485	2.979	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1	ZINC000102733585	557372236	/nfs/dbraw/zinc/37/22/36/557372236.db2.gz	QWQGPJRXOCNKDP-MRJHHRETSA-N	0	3	440.471	2.970	50	30		IFEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cnn1-c1ccccc1	ZINC000102879422	557407533	/nfs/dbraw/zinc/40/75/33/557407533.db2.gz	XYSNMVDDCBZGBE-MOBKVPTQSA-N	0	3	445.523	2.949	50	30		IFEAHN
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccccc1OC)C2	ZINC000014537993	568826370	/nfs/dbraw/zinc/82/63/70/568826370.db2.gz	GNHFSTRITZXCQX-GOSISDBHSA-N	0	3	426.586	2.914	50	30		IFEAHN
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000014943765	568827809	/nfs/dbraw/zinc/82/78/09/568827809.db2.gz	YDQQYFHSOXIFBE-MSZDEVHKSA-N	0	3	427.504	2.694	50	30		IFEAHN
CCOC(=O)Cn1ncc(C(C#N)c2nc3ccccc3s2)c(Br)c1=O	ZINC000003210959	569441718	/nfs/dbraw/zinc/44/17/18/569441718.db2.gz	MMBUBPJRBYTZNR-JTQLQIEISA-N	0	3	433.287	2.834	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(OC)c1OC	ZINC000009271846	569517824	/nfs/dbraw/zinc/51/78/24/569517824.db2.gz	PIXHVXBTVAYQMK-YDJIHCHBSA-N	0	3	439.512	2.862	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(O)c2)cc1OC	ZINC000009334018	569523184	/nfs/dbraw/zinc/52/31/84/569523184.db2.gz	FVFMJMWZZICTPR-MRJHHRETSA-N	0	3	440.496	2.783	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c(OC)c1	ZINC000013687521	523551877	/nfs/dbraw/zinc/55/18/77/523551877.db2.gz	CEFJNYQEEIKVCE-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccccc1	ZINC000102753078	524054204	/nfs/dbraw/zinc/05/42/04/524054204.db2.gz	CSDMFHBEJXCALL-NHFXJNLRSA-N	0	3	435.480	2.505	50	30		IFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000013684442	524110663	/nfs/dbraw/zinc/11/06/63/524110663.db2.gz	ZHUSMFDDGYQBJM-HXUWFJFHSA-N	0	3	428.460	2.983	50	30		IFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102483502	524889932	/nfs/dbraw/zinc/88/99/32/524889932.db2.gz	NWEFJLLROZIAPA-YDJIHCHBSA-N	0	3	428.485	2.979	50	30		IFEAHN
CC1(C)Cc2c(C#N)c(N3CCN(C(=O)CN4CCCC4)CC3)nc(-c3ccco3)c2CO1	ZINC000009476970	534944453	/nfs/dbraw/zinc/94/44/53/534944453.db2.gz	YPQOTDZYCGGPNH-UHFFFAOYSA-N	0	3	449.555	2.809	50	30		IFEAHN
CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CCCN2C	ZINC000013008639	536124329	/nfs/dbraw/zinc/12/43/29/536124329.db2.gz	RAGQFWNCHFAYSD-NRFANRHFSA-N	0	3	439.947	2.952	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013729073	556721214	/nfs/dbraw/zinc/72/12/14/556721214.db2.gz	FIZPWLNBMHOGJF-OAQYLSRUSA-N	0	3	440.496	2.852	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1OC	ZINC000019938563	556952725	/nfs/dbraw/zinc/95/27/25/556952725.db2.gz	CURVQHFWYHTVQJ-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
C=CCn1c2ccccc2n(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c1=O	ZINC000033272456	557050111	/nfs/dbraw/zinc/05/01/11/557050111.db2.gz	HMIBPMDQJRIGSE-UHFFFAOYSA-N	0	3	446.551	2.520	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccco1	ZINC000102512568	557350362	/nfs/dbraw/zinc/35/03/62/557350362.db2.gz	QNNQTSIRENJCQG-ZMESVYRVSA-N	0	3	443.500	2.775	50	30		IFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1	ZINC000102868963	557404765	/nfs/dbraw/zinc/40/47/65/557404765.db2.gz	PXFRFYUUWBGMLL-MRJHHRETSA-N	0	3	440.496	2.696	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)c1C	ZINC000102881595	557408131	/nfs/dbraw/zinc/40/81/31/557408131.db2.gz	MNIGRGXJRYGOBV-BDBAMQCISA-N	0	3	445.541	2.853	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c1C	ZINC000102928850	557410733	/nfs/dbraw/zinc/41/07/33/557410733.db2.gz	LIIILUDCHYOAGP-QOJBNDRUSA-N	0	3	439.512	2.792	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000103881186	557442566	/nfs/dbraw/zinc/44/25/66/557442566.db2.gz	VKEPOTGEVMTGKG-MRJHHRETSA-N	0	3	440.496	2.701	50	30		IFEAHN
COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCC#N)N3C2=O)cc1	ZINC000020643268	569374760	/nfs/dbraw/zinc/37/47/60/569374760.db2.gz	NZDYLDHXZJPLNZ-SFHVURJKSA-N	0	3	433.493	2.617	50	30		IFEAHN
COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCC#N)N2C1=O	ZINC000002968486	569433117	/nfs/dbraw/zinc/43/31/17/569433117.db2.gz	MXWKSLHYFIZDEL-QGZVFWFLSA-N	0	3	433.493	2.617	50	30		IFEAHN
CCOC(=O)Cn1ncc(C(C#N)c2nc3ccccc3s2)c(Br)c1=O	ZINC000003210957	569441759	/nfs/dbraw/zinc/44/17/59/569441759.db2.gz	MMBUBPJRBYTZNR-SNVBAGLBSA-N	0	3	433.287	2.834	50	30		IFEAHN
CC1=C2[C@H]3OC(=O)[C@@H](CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)[C@@H]3CC[C@@]2(C)C=CC1=O	ZINC000008762009	569474273	/nfs/dbraw/zinc/47/42/73/569474273.db2.gz	IZUSIXUHJQYHRF-BACIMKAKSA-N	0	3	434.536	2.681	50	30		IFEAHN
C[C@@H]1CC[C@H]2[C@H](CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000008917717	569486102	/nfs/dbraw/zinc/48/61/02/569486102.db2.gz	XSIDNRVZPCLOKP-SZPPUAJBSA-N	0	3	438.568	2.793	50	30		IFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1C	ZINC000009046413	569498366	/nfs/dbraw/zinc/49/83/66/569498366.db2.gz	WSYXGRYZAYDBEU-LJQANCHMSA-N	0	3	443.500	2.931	50	30		IFEAHN
CCN(CC)CC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1	ZINC000013627218	132352130	/nfs/dbraw/zinc/35/21/30/132352130.db2.gz	UWWBXMFPAAXBFS-UHFFFAOYSA-N	0	3	427.593	2.918	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000013732320	556720774	/nfs/dbraw/zinc/72/07/74/556720774.db2.gz	DLHOXEZHCFAAEH-HXUWFJFHSA-N	0	3	426.517	2.954	50	30		IFEAHN
CCOC(=O)Cc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)n1Cc1ccco1	ZINC000023936170	557126619	/nfs/dbraw/zinc/12/66/19/557126619.db2.gz	HVUMODFJWVXKRS-AWEZNQCLSA-N	0	3	445.526	2.759	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102433053	557322609	/nfs/dbraw/zinc/32/26/09/557322609.db2.gz	IOIOGHYDSBNBKB-JBCNATCCSA-N	0	3	440.496	2.701	50	30		IFEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cnn1-c1ccccc1	ZINC000102509398	557349275	/nfs/dbraw/zinc/34/92/75/557349275.db2.gz	ARLHWEYQWKKUDK-HOGKFDNTSA-N	0	3	445.523	2.949	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102735485	557373339	/nfs/dbraw/zinc/37/33/39/557373339.db2.gz	RCIWYLSOEOZJQO-YDJIHCHBSA-N	0	3	428.460	2.826	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)c1C	ZINC000102881598	557408070	/nfs/dbraw/zinc/40/80/70/557408070.db2.gz	MNIGRGXJRYGOBV-CQGUWYRNSA-N	0	3	445.541	2.853	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000103881190	557442627	/nfs/dbraw/zinc/44/26/27/557442627.db2.gz	VKEPOTGEVMTGKG-JBCNATCCSA-N	0	3	440.496	2.701	50	30		IFEAHN
C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)CC1	ZINC000011870134	568820923	/nfs/dbraw/zinc/82/09/23/568820923.db2.gz	XCKGJIURPBQWCV-HXUWFJFHSA-N	0	3	441.601	2.917	50	30		IFEAHN
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccccc1OC)C2	ZINC000014537994	568826377	/nfs/dbraw/zinc/82/63/77/568826377.db2.gz	GNHFSTRITZXCQX-SFHVURJKSA-N	0	3	426.586	2.914	50	30		IFEAHN
CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CCN2C	ZINC000008963921	569491076	/nfs/dbraw/zinc/49/10/76/569491076.db2.gz	NLECMZMAUPHZBS-HXUWFJFHSA-N	0	3	425.920	2.562	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c1C	ZINC000009042873	569497763	/nfs/dbraw/zinc/49/77/63/569497763.db2.gz	VCRJNAMRARMWPS-HXUWFJFHSA-N	0	3	439.512	2.948	50	30		IFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000009067315	569499924	/nfs/dbraw/zinc/49/99/24/569499924.db2.gz	IBAWAKUHKRWRDI-YDJIHCHBSA-N	0	3	439.468	2.977	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1	ZINC000009374219	569527109	/nfs/dbraw/zinc/52/71/09/569527109.db2.gz	KVQUHOAYHZDURR-WOOAAIBNSA-N	0	3	428.510	2.893	50	30		IFEAHN
N#Cc1c2c(c(-c3ccccc3)nc1N1CCN(C(=O)CNC[C@H]3CCCO3)CC1)CCC2	ZINC000013609039	132351623	/nfs/dbraw/zinc/35/16/23/132351623.db2.gz	SXRNWWJCIPAZIR-HXUWFJFHSA-N	0	3	445.567	2.526	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000013548991	525387378	/nfs/dbraw/zinc/38/73/78/525387378.db2.gz	PNWHZPOBWANDCQ-FQEVSTJZSA-N	0	3	428.460	2.983	50	30		IFEAHN
N#CC(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1nc2ccccc2[nH]1	ZINC000040089604	526489560	/nfs/dbraw/zinc/48/95/60/526489560.db2.gz	VROASYBDFKUKIE-INIZCTEOSA-N	0	3	433.493	2.600	50	30		IFEAHN
N#CC(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1nc2ccccc2[nH]1	ZINC000040089603	526504019	/nfs/dbraw/zinc/50/40/19/526504019.db2.gz	VROASYBDFKUKIE-MRXNPFEDSA-N	0	3	433.493	2.600	50	30		IFEAHN
C=CCOC[C@H](O)CN1CCCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1	ZINC000034682270	555815939	/nfs/dbraw/zinc/81/59/39/555815939.db2.gz	UNYFTXYYQBCFLC-JYLQPTBZSA-N	0	3	436.556	2.809	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000019928140	556946032	/nfs/dbraw/zinc/94/60/32/556946032.db2.gz	WMJXFSHWZTYKHX-NRFANRHFSA-N	0	3	440.496	2.852	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1OC	ZINC000020134903	556988171	/nfs/dbraw/zinc/98/81/71/556988171.db2.gz	AHTMWYLLWLIWLB-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000018209644	557251983	/nfs/dbraw/zinc/25/19/83/557251983.db2.gz	TVLKWCCQMVDWTG-LJQANCHMSA-N	0	3	425.485	2.629	50	30		IFEAHN
CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@@H](C)COC)C1	ZINC000036383339	563094211	/nfs/dbraw/zinc/09/42/11/563094211.db2.gz	VRNMYRSDOYQESS-BBWFWOEESA-N	0	3	440.500	2.595	50	30		IFEAHN
CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@H](C)COC)C1	ZINC000245312536	568914727	/nfs/dbraw/zinc/91/47/27/568914727.db2.gz	VRNMYRSDOYQESS-BRWVUGGUSA-N	0	3	440.500	2.595	50	30		IFEAHN
C(#CCN1CCN(CCc2ccccc2)CC1)CN1CCN(CCc2ccccc2)CC1	ZINC000170607363	569144207	/nfs/dbraw/zinc/14/42/07/569144207.db2.gz	VSBNANZKFPZGFK-UHFFFAOYSA-N	0	3	430.640	2.710	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1C	ZINC000009007495	569496126	/nfs/dbraw/zinc/49/61/26/569496126.db2.gz	XOEUJWURKBSCSD-SFHVURJKSA-N	0	3	429.473	2.541	50	30		IFEAHN
Cc1oc(-c2nc(C#N)c(NCCN(C)C)o2)cc1S(=O)(=O)N(C)Cc1ccccc1	ZINC000040284999	569498014	/nfs/dbraw/zinc/49/80/14/569498014.db2.gz	YGHWLFBGPOJNDR-UHFFFAOYSA-N	0	3	443.529	2.909	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1	ZINC000009350905	569524900	/nfs/dbraw/zinc/52/49/00/569524900.db2.gz	ZQRHIXBPOWXKEI-MRJHHRETSA-N	0	3	438.480	2.537	50	30		IFEAHN
CN(C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CCCN2C	ZINC000013008641	132342132	/nfs/dbraw/zinc/34/21/32/132342132.db2.gz	RAGQFWNCHFAYSD-OAQYLSRUSA-N	0	3	439.947	2.952	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(OC)c1	ZINC000013690941	523556868	/nfs/dbraw/zinc/55/68/68/523556868.db2.gz	IXFAAUQDNJYZFS-FQEVSTJZSA-N	0	3	428.460	2.983	50	30		IFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013683027	524911424	/nfs/dbraw/zinc/91/14/24/524911424.db2.gz	TXYBZIMWUBUVRA-FQEVSTJZSA-N	0	3	442.516	2.574	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013692525	525219932	/nfs/dbraw/zinc/21/99/32/525219932.db2.gz	DXOCPRCEXJDYSO-HXUWFJFHSA-N	0	3	426.517	2.576	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000013548993	525221239	/nfs/dbraw/zinc/22/12/39/525221239.db2.gz	PNWHZPOBWANDCQ-HXUWFJFHSA-N	0	3	428.460	2.983	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccncc1	ZINC000009008971	527092415	/nfs/dbraw/zinc/09/24/15/527092415.db2.gz	BLVHBGMDTNECEK-FQEVSTJZSA-N	0	3	433.512	2.876	50	30		IFEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000019938420	556952585	/nfs/dbraw/zinc/95/25/85/556952585.db2.gz	AUKFHJUWASORBO-FQEVSTJZSA-N	0	3	426.469	2.889	50	30		IFEAHN
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NC[C@@H]3CCCN3CC)cc2)c(=O)c1=O	ZINC000033272753	557052778	/nfs/dbraw/zinc/05/27/78/557052778.db2.gz	MWRUIRPHMDNXNK-NRFANRHFSA-N	0	3	446.551	2.612	50	30		IFEAHN
C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCCN(C)C	ZINC000024192931	557139926	/nfs/dbraw/zinc/13/99/26/557139926.db2.gz	VRTWTGYCHGDTDW-SANMLTNESA-N	0	3	445.519	2.903	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000102433047	557322599	/nfs/dbraw/zinc/32/25/99/557322599.db2.gz	IOIOGHYDSBNBKB-MRJHHRETSA-N	0	3	440.496	2.701	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1	ZINC000102727417	557370305	/nfs/dbraw/zinc/37/03/05/557370305.db2.gz	MJEZRTVICQSSGL-NHFXJNLRSA-N	0	3	426.444	2.580	50	30		IFEAHN
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000102735460	557373150	/nfs/dbraw/zinc/37/31/50/557373150.db2.gz	BGFQGEMVBXJTLQ-NHFXJNLRSA-N	0	3	440.496	2.696	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102735489	557373280	/nfs/dbraw/zinc/37/32/80/557373280.db2.gz	RCIWYLSOEOZJQO-NHFXJNLRSA-N	0	3	428.460	2.826	50	30		IFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102735884	557373385	/nfs/dbraw/zinc/37/33/85/557373385.db2.gz	KNYYOIVNTWGRKQ-YDJIHCHBSA-N	0	3	428.460	2.826	50	30		IFEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cnn1-c1ccccc1	ZINC000102879424	557407537	/nfs/dbraw/zinc/40/75/37/557407537.db2.gz	XYSNMVDDCBZGBE-HOGKFDNTSA-N	0	3	445.523	2.949	50	30		IFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102931246	557412737	/nfs/dbraw/zinc/41/27/37/557412737.db2.gz	JWSFWLZVDYCBJI-NHFXJNLRSA-N	0	3	439.468	2.977	50	30		IFEAHN
CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1ccc(C#CC(C)(C)O)cc1)CC2	ZINC000014541886	568826385	/nfs/dbraw/zinc/82/63/85/568826385.db2.gz	LKWHWJNZOUKEKQ-UHFFFAOYSA-N	0	3	446.551	2.633	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c1C	ZINC000009174872	569509687	/nfs/dbraw/zinc/50/96/87/569509687.db2.gz	VCRJNAMRARMWPS-FQEVSTJZSA-N	0	3	439.512	2.948	50	30		IFEAHN
C=CCOc1ccccc1CN[C@@H]1C[C@@H](C(=O)NCCOC)N(C2Cc3ccccc3C2)C1	ZINC000020997491	519073369	/nfs/dbraw/zinc/07/33/69/519073369.db2.gz	YNIVLRCKSSCDKE-NOZRDPDXSA-N	0	3	449.595	2.714	50	30		IFEAHN
COc1cccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000013689565	524109283	/nfs/dbraw/zinc/10/92/83/524109283.db2.gz	ZHEWOMDQLTWSAF-LJQANCHMSA-N	0	3	442.516	2.574	50	30		IFEAHN
COC(=O)c1ccc(CSc2nc(N3CCNCC3)c3c(c2C#N)CC(C)(C)OC3)o1	ZINC000009575651	536711745	/nfs/dbraw/zinc/71/17/45/536711745.db2.gz	DPFFABLOTHTGDD-UHFFFAOYSA-N	0	3	442.541	2.886	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013721430	556717105	/nfs/dbraw/zinc/71/71/05/556717105.db2.gz	ORKAGOLUDOZJAY-FQEVSTJZSA-N	0	3	428.460	2.983	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@@H]1c1ccccc1	ZINC000013728038	556720592	/nfs/dbraw/zinc/72/05/92/556720592.db2.gz	RPUMTCXZWMFJHC-FQEVSTJZSA-N	0	3	435.480	2.662	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(OC(C)C)cc1	ZINC000013732317	556720828	/nfs/dbraw/zinc/72/08/28/556720828.db2.gz	DLHOXEZHCFAAEH-FQEVSTJZSA-N	0	3	426.517	2.954	50	30		IFEAHN
CCCCC12CN3CC(CN(C1)CC3)/C2=N\N=C1/C2CN3CC1(CCCC)CN(C2)CC3	ZINC000019359576	556745622	/nfs/dbraw/zinc/74/56/22/556745622.db2.gz	PDAAVCPESIAHIB-LMCGJEQXSA-N	0	3	440.680	2.659	50	30		IFEAHN
CCN(CC)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1	ZINC000024840139	557173179	/nfs/dbraw/zinc/17/31/79/557173179.db2.gz	YRLLBSOYIYGIRR-OAQYLSRUSA-N	0	3	428.558	2.691	50	30		IFEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000102535061	557344814	/nfs/dbraw/zinc/34/48/14/557344814.db2.gz	DTKNDUUPJMDWEK-QOJBNDRUSA-N	0	3	449.467	2.534	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c(OC)c1	ZINC000102736649	557370920	/nfs/dbraw/zinc/37/09/20/557370920.db2.gz	ONEXOVQTCVGXLL-YDJIHCHBSA-N	0	3	428.460	2.826	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000102746103	557378013	/nfs/dbraw/zinc/37/80/13/557378013.db2.gz	KVZLDACPUKYRMO-YDJIHCHBSA-N	0	3	426.517	2.797	50	30		IFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1C	ZINC000102750865	557382878	/nfs/dbraw/zinc/38/28/78/557382878.db2.gz	RFSNTXQDBVBNSE-CQGUWYRNSA-N	0	3	445.541	2.853	50	30		IFEAHN
Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000058050185	569445911	/nfs/dbraw/zinc/44/59/11/569445911.db2.gz	CWGCLTOANQTTLA-UHFFFAOYSA-N	0	3	433.556	2.967	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)cc1OC	ZINC000008904979	569484605	/nfs/dbraw/zinc/48/46/05/569484605.db2.gz	UPCYCRDABLMZGR-YDJIHCHBSA-N	0	3	428.485	2.979	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)cc1OC	ZINC000008904981	569484620	/nfs/dbraw/zinc/48/46/20/569484620.db2.gz	UPCYCRDABLMZGR-NHFXJNLRSA-N	0	3	428.485	2.979	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1	ZINC000009350904	569524914	/nfs/dbraw/zinc/52/49/14/569524914.db2.gz	ZQRHIXBPOWXKEI-JBCNATCCSA-N	0	3	438.480	2.537	50	30		IFEAHN
COc1cc(/N=C(\C)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1	ZINC000012351076	522013469	/nfs/dbraw/zinc/01/34/69/522013469.db2.gz	GCFSQBXLLLFCKE-KGENOOAVSA-N	0	3	436.490	2.572	50	30		IFEAHN
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCNCCO)cc1	ZINC000025179988	522244679	/nfs/dbraw/zinc/24/46/79/522244679.db2.gz	JKQADUHOWCRPSC-HXUWFJFHSA-N	0	3	443.931	2.566	50	30		IFEAHN
COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000019957411	522956114	/nfs/dbraw/zinc/95/61/14/522956114.db2.gz	ZWORKOLPHOEFBP-IBGZPJMESA-N	0	3	444.484	2.835	50	30		IFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000013684440	524170390	/nfs/dbraw/zinc/17/03/90/524170390.db2.gz	ZHUSMFDDGYQBJM-FQEVSTJZSA-N	0	3	428.460	2.983	50	30		IFEAHN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000013691382	527605527	/nfs/dbraw/zinc/60/55/27/527605527.db2.gz	RHOMINNTNFRYBP-OAQYLSRUSA-N	0	3	440.544	2.964	50	30		IFEAHN
CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@@H](C)COC)C1	ZINC000004327742	535525813	/nfs/dbraw/zinc/52/58/13/535525813.db2.gz	VRNMYRSDOYQESS-GVDBMIGSSA-N	0	3	440.500	2.595	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)c(OC)c1	ZINC000013734910	556721919	/nfs/dbraw/zinc/72/19/19/556721919.db2.gz	SACSHUWPAFQQAR-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1	ZINC000019928137	556946131	/nfs/dbraw/zinc/94/61/31/556946131.db2.gz	WMJXFSHWZTYKHX-OAQYLSRUSA-N	0	3	440.496	2.852	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1OC	ZINC000020134907	556988160	/nfs/dbraw/zinc/98/81/60/556988160.db2.gz	AHTMWYLLWLIWLB-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000102483494	557330866	/nfs/dbraw/zinc/33/08/66/557330866.db2.gz	NWEFJLLROZIAPA-NHFXJNLRSA-N	0	3	428.485	2.979	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccnc1	ZINC000102502401	557338953	/nfs/dbraw/zinc/33/89/53/557338953.db2.gz	YTNBVBWQQJHEQE-ASBZNUFUSA-N	0	3	433.512	2.720	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccco1	ZINC000102512557	557350330	/nfs/dbraw/zinc/35/03/30/557350330.db2.gz	QNNQTSIRENJCQG-WENBPLFZSA-N	0	3	443.500	2.775	50	30		IFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000102731917	557371771	/nfs/dbraw/zinc/37/17/71/557371771.db2.gz	HWJZMNXEPHRPRL-WOOAAIBNSA-N	0	3	428.485	2.979	50	30		IFEAHN
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000102735456	557373205	/nfs/dbraw/zinc/37/32/05/557373205.db2.gz	BGFQGEMVBXJTLQ-YDJIHCHBSA-N	0	3	440.496	2.696	50	30		IFEAHN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000102740661	557375973	/nfs/dbraw/zinc/37/59/73/557375973.db2.gz	WVAXFBFSBAESHN-JBCNATCCSA-N	0	3	440.544	2.807	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000104210292	557453348	/nfs/dbraw/zinc/45/33/48/557453348.db2.gz	NFXUQNFKGKWLBG-NHFXJNLRSA-N	0	3	428.460	2.826	50	30		IFEAHN
CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)CCN2C	ZINC000008963922	569491181	/nfs/dbraw/zinc/49/11/81/569491181.db2.gz	NLECMZMAUPHZBS-FQEVSTJZSA-N	0	3	425.920	2.562	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1C	ZINC000009008689	569496254	/nfs/dbraw/zinc/49/62/54/569496254.db2.gz	XOEUJWURKBSCSD-GOSISDBHSA-N	0	3	429.473	2.541	50	30		IFEAHN
C=CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036150980	518984945	/nfs/dbraw/zinc/98/49/45/518984945.db2.gz	LJCFDMPOKINHTF-NRFANRHFSA-N	0	3	445.560	2.580	50	30		IFEAHN
C=CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1	ZINC000036150984	518991066	/nfs/dbraw/zinc/99/10/66/518991066.db2.gz	LJCFDMPOKINHTF-OAQYLSRUSA-N	0	3	445.560	2.580	50	30		IFEAHN
COc1ccccc1[C@@H]1C(C(=O)c2c(C)nn(C)c2C)=C(O)C(=O)N1CCCN(C)C	ZINC000013684604	524744994	/nfs/dbraw/zinc/74/49/94/524744994.db2.gz	JQAIAHIADMKRBL-HXUWFJFHSA-N	0	3	426.517	2.576	50	30		IFEAHN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@H](C)COC)CC1	ZINC000004326823	535605148	/nfs/dbraw/zinc/60/51/48/535605148.db2.gz	MXMPJJPDNWXFMD-WBVHZDCISA-N	0	3	440.500	2.595	50	30		IFEAHN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@@H](C)COC)CC1	ZINC000004326819	535605265	/nfs/dbraw/zinc/60/52/65/535605265.db2.gz	MXMPJJPDNWXFMD-DOTOQJQBSA-N	0	3	440.500	2.595	50	30		IFEAHN
C=CCOC[C@@H](O)CN1CCCN(c2ccc(NC(=O)/C=C/c3ccccc3)cn2)CC1	ZINC000034682271	555816039	/nfs/dbraw/zinc/81/60/39/555816039.db2.gz	UNYFTXYYQBCFLC-SRLUVNLFSA-N	0	3	436.556	2.809	50	30		IFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NCc1ccc2c(c1)OCO2	ZINC000032776970	556327279	/nfs/dbraw/zinc/32/72/79/556327279.db2.gz	WQJIIUWLWVILBA-UHFFFAOYSA-N	0	3	443.573	2.630	50	30		IFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc(C(=O)NC)cc1	ZINC000032777119	556327875	/nfs/dbraw/zinc/32/78/75/556327875.db2.gz	XVQBSCRAJQCDMZ-UHFFFAOYSA-N	0	3	442.589	2.583	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000013732201	556720756	/nfs/dbraw/zinc/72/07/56/556720756.db2.gz	SPDGIWKUTVDAQT-FQEVSTJZSA-N	0	3	442.516	2.574	50	30		IFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)c1	ZINC000019973873	556956785	/nfs/dbraw/zinc/95/67/85/556956785.db2.gz	VNAOUJKPCMBCBO-NRFANRHFSA-N	0	3	440.496	2.852	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000020119902	556987376	/nfs/dbraw/zinc/98/73/76/556987376.db2.gz	VHCASVUWSDYUST-OAQYLSRUSA-N	0	3	440.496	2.852	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)cc1OC	ZINC000020229030	557001755	/nfs/dbraw/zinc/00/17/55/557001755.db2.gz	YLVZPWQZAHJOLI-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)cc1OC	ZINC000020229028	557001763	/nfs/dbraw/zinc/00/17/63/557001763.db2.gz	YLVZPWQZAHJOLI-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1	ZINC000102727415	557370330	/nfs/dbraw/zinc/37/03/30/557370330.db2.gz	MJEZRTVICQSSGL-YDJIHCHBSA-N	0	3	426.444	2.580	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1	ZINC000102733581	557372074	/nfs/dbraw/zinc/37/20/74/557372074.db2.gz	QWQGPJRXOCNKDP-JBCNATCCSA-N	0	3	440.471	2.970	50	30		IFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1	ZINC000102868961	557404622	/nfs/dbraw/zinc/40/46/22/557404622.db2.gz	PXFRFYUUWBGMLL-JBCNATCCSA-N	0	3	440.496	2.696	50	30		IFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102931244	557412705	/nfs/dbraw/zinc/41/27/05/557412705.db2.gz	JWSFWLZVDYCBJI-YDJIHCHBSA-N	0	3	439.468	2.977	50	30		IFEAHN
C=C(C)CNC(N[C@@H]1CCCN(C2CCCCC2)C1)=C(C#N)C(=O)Nc1ccnn1C	ZINC000225505204	557731507	/nfs/dbraw/zinc/73/15/07/557731507.db2.gz	JKIOKOGAHVVYKD-QUCCMNQESA-N	0	3	425.581	2.860	50	30		IFEAHN
Cc1cc(C)c[n+](C2=C([N-]S(=O)(=O)c3cccs3)C(=O)c3ccccc3C2=O)c1	ZINC000002349775	562927075	/nfs/dbraw/zinc/92/70/75/562927075.db2.gz	ZXXPMGKOKDTHSK-UHFFFAOYSA-O	0	3	425.511	2.879	50	30		IFEAHN
COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cccc(C#CC(C)(C)O)c2)CC1	ZINC000012030324	568821359	/nfs/dbraw/zinc/82/13/59/568821359.db2.gz	CDENKPAFENIPSB-XMMPIXPASA-N	0	3	442.600	2.789	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(O)c2)cc1OC	ZINC000020231333	569356956	/nfs/dbraw/zinc/35/69/56/569356956.db2.gz	ZQTGCWRXNNPCFU-OAQYLSRUSA-N	0	3	440.496	2.939	50	30		IFEAHN
COc1ccc(CNC(=O)CC2N=C3c4ccccc4N=C(SCC#N)N3C2=O)cc1	ZINC000020643270	569374866	/nfs/dbraw/zinc/37/48/66/569374866.db2.gz	NZDYLDHXZJPLNZ-GOSISDBHSA-N	0	3	433.493	2.617	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000008903313	569484515	/nfs/dbraw/zinc/48/45/15/569484515.db2.gz	LCTBXBZCYRJTMU-JBCNATCCSA-N	0	3	440.496	2.696	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccnc1	ZINC000009273326	569518084	/nfs/dbraw/zinc/51/80/84/569518084.db2.gz	YNSGPLQLBCHSJC-HXUWFJFHSA-N	0	3	433.512	2.876	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1	ZINC000009374320	569527083	/nfs/dbraw/zinc/52/70/83/569527083.db2.gz	PXWUAUZZCCOSAC-MRJHHRETSA-N	0	3	440.471	2.970	50	30		IFEAHN
C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCN[C@@H](CC)C3)nc2c1=O	ZINC000072473762	519150267	/nfs/dbraw/zinc/15/02/67/519150267.db2.gz	DGYWYGPDXQRHGF-HNNXBMFYSA-N	0	3	425.920	2.826	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)c(OC)c1	ZINC000013690940	523556416	/nfs/dbraw/zinc/55/64/16/523556416.db2.gz	IXFAAUQDNJYZFS-HXUWFJFHSA-N	0	3	428.460	2.983	50	30		IFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2	ZINC000032777001	556327218	/nfs/dbraw/zinc/32/72/18/556327218.db2.gz	UREHTQODQIGYMC-UHFFFAOYSA-N	0	3	429.546	2.952	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000016946265	556649909	/nfs/dbraw/zinc/64/99/09/556649909.db2.gz	FALLPRYNWDEPJE-NRFANRHFSA-N	0	3	440.496	2.858	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Br)c1	ZINC000013722271	556717441	/nfs/dbraw/zinc/71/74/41/556717441.db2.gz	XXPICKPCINJYGF-QGZVFWFLSA-N	0	3	447.333	2.929	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c(OC)c1	ZINC000013736535	556722665	/nfs/dbraw/zinc/72/26/65/556722665.db2.gz	YCHFSZCHJWVPIT-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccn1	ZINC000102713090	557374570	/nfs/dbraw/zinc/37/45/70/557374570.db2.gz	DMSUAMDLGJWTBB-MRJHHRETSA-N	0	3	439.512	2.862	50	30		IFEAHN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(C#CC3(O)CCCCC3)cc2)CC1	ZINC000008660939	562960301	/nfs/dbraw/zinc/96/03/01/562960301.db2.gz	UGWYGLOIDCFFRA-UHFFFAOYSA-N	0	3	437.584	2.679	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1C	ZINC000009240467	562968442	/nfs/dbraw/zinc/96/84/42/562968442.db2.gz	VOHDIEKXAIWLGG-KRWDZBQOSA-N	0	3	431.514	2.620	50	30		IFEAHN
CC[NH+](CC)CCOC(=O)c1ccc(-n2cc([O-])c(-c3nc4ccccc4[nH]3)c2N)cc1	ZINC000006143457	568845626	/nfs/dbraw/zinc/84/56/26/568845626.db2.gz	NYYQFVGWAKWPGE-UHFFFAOYSA-N	0	3	433.512	2.778	50	30		IFEAHN
CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2Cc3ccccc3N(C)C[C@H]2C)cc1	ZINC000328596565	569317994	/nfs/dbraw/zinc/31/79/94/569317994.db2.gz	CZUIDASNWVXXRF-CVEARBPZSA-N	0	3	440.525	2.827	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1	ZINC000020231381	569357072	/nfs/dbraw/zinc/35/70/72/569357072.db2.gz	AGZMEWBPBJEBHB-FQEVSTJZSA-N	0	3	426.444	2.737	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020391286	569363354	/nfs/dbraw/zinc/36/33/54/569363354.db2.gz	HJQSTOQLGMWRAR-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
Cc1oc(-c2nc(C#N)c(NCCN(C)C)o2)cc1S(=O)(=O)N(C)c1ccccc1	ZINC000040287678	569498257	/nfs/dbraw/zinc/49/82/57/569498257.db2.gz	GIMZFDJCPVASRV-UHFFFAOYSA-N	0	3	429.502	2.913	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000009177769	569509792	/nfs/dbraw/zinc/50/97/92/569509792.db2.gz	DBMSADYVAVZKDM-IBGZPJMESA-N	0	3	443.475	2.697	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009236283	569514174	/nfs/dbraw/zinc/51/41/74/569514174.db2.gz	YVPZZKLEDHRVGG-JBCNATCCSA-N	0	3	439.512	2.862	50	30		IFEAHN
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CNCCCN2CCCC2=O)c1=O	ZINC000012450668	518652075	/nfs/dbraw/zinc/65/20/75/518652075.db2.gz	FNDOOGLTGLAUPO-UHFFFAOYSA-N	0	3	433.936	2.873	50	30		IFEAHN
C=CCn1c(-c2ccccc2Cl)cn2cc(C(=O)N3CCN[C@H](CC)C3)nc2c1=O	ZINC000072473761	519149909	/nfs/dbraw/zinc/14/99/09/519149909.db2.gz	DGYWYGPDXQRHGF-OAHLLOKOSA-N	0	3	425.920	2.826	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cc(OC)ccc1OC	ZINC000009271672	520654804	/nfs/dbraw/zinc/65/48/04/520654804.db2.gz	BVCIRPGNCIKKFE-JBCNATCCSA-N	0	3	439.512	2.862	50	30		IFEAHN
CC1=C2[C@H]3OC(=O)[C@H](CN4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)[C@@H]3CC[C@@]2(C)C=CC1=O	ZINC000012658279	520849805	/nfs/dbraw/zinc/84/98/05/520849805.db2.gz	IZUSIXUHJQYHRF-HPRRTYNQSA-N	0	3	434.536	2.681	50	30		IFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013683031	524890097	/nfs/dbraw/zinc/89/00/97/524890097.db2.gz	TXYBZIMWUBUVRA-HXUWFJFHSA-N	0	3	442.516	2.574	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000012758990	525390754	/nfs/dbraw/zinc/39/07/54/525390754.db2.gz	DBEZGYZOVFRAEF-NRFANRHFSA-N	0	3	438.480	2.606	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000017112517	556667782	/nfs/dbraw/zinc/66/77/82/556667782.db2.gz	CLVQRJWBGMJWGW-NRFANRHFSA-N	0	3	440.496	2.858	50	30		IFEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000019938421	556952566	/nfs/dbraw/zinc/95/25/66/556952566.db2.gz	AUKFHJUWASORBO-HXUWFJFHSA-N	0	3	426.469	2.889	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1	ZINC000020291849	557005929	/nfs/dbraw/zinc/00/59/29/557005929.db2.gz	WSKFVIVEWKCPEU-NRFANRHFSA-N	0	3	438.480	2.693	50	30		IFEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)o1)=C(O)C(=O)N2CCCN(C)C	ZINC000020393497	557013158	/nfs/dbraw/zinc/01/31/58/557013158.db2.gz	GEZMHMVAUDNGHJ-XMMPIXPASA-N	0	3	437.496	2.639	50	30		IFEAHN
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NCCN3CCCCC3)cc2)c(=O)c1=O	ZINC000033272743	557052392	/nfs/dbraw/zinc/05/23/92/557052392.db2.gz	NMSNDOMONKAIAU-UHFFFAOYSA-N	0	3	446.551	2.613	50	30		IFEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000102535052	557344885	/nfs/dbraw/zinc/34/48/85/557344885.db2.gz	DTKNDUUPJMDWEK-ASBZNUFUSA-N	0	3	449.467	2.534	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1	ZINC000102718745	557375226	/nfs/dbraw/zinc/37/52/26/557375226.db2.gz	QYXJXJPYWLPRFV-NHFXJNLRSA-N	0	3	426.444	2.580	50	30		IFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1C	ZINC000102750862	557382881	/nfs/dbraw/zinc/38/28/81/557382881.db2.gz	RFSNTXQDBVBNSE-BDBAMQCISA-N	0	3	445.541	2.853	50	30		IFEAHN
CCc1cc[n+](C2=C([N-]S(=O)(=O)c3cccs3)C(=O)c3ccccc3C2=O)cc1	ZINC000002308183	562926943	/nfs/dbraw/zinc/92/69/43/562926943.db2.gz	HLGGHFZKCKYXFU-UHFFFAOYSA-O	0	3	425.511	2.824	50	30		IFEAHN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020219598	569356772	/nfs/dbraw/zinc/35/67/72/569356772.db2.gz	GJNMJOVFZGZPJR-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000009177774	569509774	/nfs/dbraw/zinc/50/97/74/569509774.db2.gz	DBMSADYVAVZKDM-LJQANCHMSA-N	0	3	443.475	2.697	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009236285	569514115	/nfs/dbraw/zinc/51/41/15/569514115.db2.gz	YVPZZKLEDHRVGG-MRJHHRETSA-N	0	3	439.512	2.862	50	30		IFEAHN
CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)cc1	ZINC000328596566	526238680	/nfs/dbraw/zinc/23/86/80/526238680.db2.gz	CZUIDASNWVXXRF-HOTGVXAUSA-N	0	3	440.525	2.827	50	30		IFEAHN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@H](C)COC)CC1	ZINC000004326822	535604557	/nfs/dbraw/zinc/60/45/57/535604557.db2.gz	MXMPJJPDNWXFMD-NVXWUHKLSA-N	0	3	440.500	2.595	50	30		IFEAHN
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1	ZINC000011952049	556676549	/nfs/dbraw/zinc/67/65/49/556676549.db2.gz	ZTYNBHCFAOHDGS-UHFFFAOYSA-N	0	3	428.558	2.545	50	30		IFEAHN
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@H]1CCCN12	ZINC000248180326	556686475	/nfs/dbraw/zinc/68/64/75/556686475.db2.gz	YDQQYFHSOXIFBE-QILISPFLSA-N	0	3	427.504	2.694	50	30		IFEAHN
COc1ccc(-c2nc(C#N)c(NCCN(C)C)o2)cc1S(=O)(=O)N1CCCCCC1	ZINC000013690513	556711094	/nfs/dbraw/zinc/71/10/94/556711094.db2.gz	VPSYMJKPZWDYLG-UHFFFAOYSA-N	0	3	447.561	2.760	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013721433	556717372	/nfs/dbraw/zinc/71/73/72/556717372.db2.gz	ORKAGOLUDOZJAY-HXUWFJFHSA-N	0	3	428.460	2.983	50	30		IFEAHN
C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)c1	ZINC000023074940	556995372	/nfs/dbraw/zinc/99/53/72/556995372.db2.gz	DPEPNZWQVAXNSH-JOCHJYFZSA-N	0	3	445.585	2.972	50	30		IFEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)o1)=C(O)C(=O)N2CCCN(C)C	ZINC000020393500	557013124	/nfs/dbraw/zinc/01/31/24/557013124.db2.gz	GEZMHMVAUDNGHJ-DEOSSOPVSA-N	0	3	437.496	2.639	50	30		IFEAHN
CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCCN(C)C	ZINC000024192887	557140130	/nfs/dbraw/zinc/14/01/30/557140130.db2.gz	ZWAUWGRRZJCERR-RUZDIDTESA-N	0	3	433.508	2.737	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccncc1	ZINC000102486804	557331377	/nfs/dbraw/zinc/33/13/77/557331377.db2.gz	JDHWLDSLQHLPHU-ASBZNUFUSA-N	0	3	433.512	2.720	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Br)c1	ZINC000102752482	557383219	/nfs/dbraw/zinc/38/32/19/557383219.db2.gz	NQPYIXWKRGYBTQ-GROYHEBESA-N	0	3	447.333	2.772	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)c1C	ZINC000020290558	569359486	/nfs/dbraw/zinc/35/94/86/569359486.db2.gz	IYUGRYZHDCSBDD-IBGZPJMESA-N	0	3	443.500	2.850	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000020391290	569363304	/nfs/dbraw/zinc/36/33/04/569363304.db2.gz	HJQSTOQLGMWRAR-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(OC)c1OC	ZINC000009271847	569517861	/nfs/dbraw/zinc/51/78/61/569517861.db2.gz	PIXHVXBTVAYQMK-NHFXJNLRSA-N	0	3	439.512	2.862	50	30		IFEAHN
C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCCN(C)C	ZINC000024192932	518879242	/nfs/dbraw/zinc/87/92/42/518879242.db2.gz	VRTWTGYCHGDTDW-AREMUKBSSA-N	0	3	445.519	2.903	50	30		IFEAHN
COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000013552085	522954878	/nfs/dbraw/zinc/95/48/78/522954878.db2.gz	HTDNQZXZOGMBSZ-FQEVSTJZSA-N	0	3	440.496	2.852	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000012758995	525220680	/nfs/dbraw/zinc/22/06/80/525220680.db2.gz	DBEZGYZOVFRAEF-OAQYLSRUSA-N	0	3	438.480	2.606	50	30		IFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)c1	ZINC000013470749	525783018	/nfs/dbraw/zinc/78/30/18/525783018.db2.gz	HIINIEARFCEUDT-HXUWFJFHSA-N	0	3	426.469	2.549	50	30		IFEAHN
CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2Cc3ccccc3N(C)C[C@H]2C)cc1	ZINC000328596567	525924470	/nfs/dbraw/zinc/92/44/70/525924470.db2.gz	CZUIDASNWVXXRF-HZPDHXFCSA-N	0	3	440.525	2.827	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Br)c1	ZINC000013722268	556717349	/nfs/dbraw/zinc/71/73/49/556717349.db2.gz	XXPICKPCINJYGF-KRWDZBQOSA-N	0	3	447.333	2.929	50	30		IFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)c1	ZINC000019973871	556956752	/nfs/dbraw/zinc/95/67/52/556956752.db2.gz	VNAOUJKPCMBCBO-OAQYLSRUSA-N	0	3	440.496	2.852	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccco1	ZINC000020219716	556999992	/nfs/dbraw/zinc/99/99/92/556999992.db2.gz	KFQISHXUSBZYFP-LJQANCHMSA-N	0	3	443.500	2.931	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1	ZINC000020228210	557001301	/nfs/dbraw/zinc/00/13/01/557001301.db2.gz	VMXLGDKPULMNMP-HXUWFJFHSA-N	0	3	426.444	2.737	50	30		IFEAHN
CCOC(=O)Cc1nnc(SCC(=O)C(C#N)c2nc(C)cs2)n1Cc1ccco1	ZINC000023936166	557126601	/nfs/dbraw/zinc/12/66/01/557126601.db2.gz	HVUMODFJWVXKRS-CQSZACIVSA-N	0	3	445.526	2.759	50	30		IFEAHN
CCN(CC)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1	ZINC000024840133	557173298	/nfs/dbraw/zinc/17/32/98/557173298.db2.gz	YRLLBSOYIYGIRR-NRFANRHFSA-N	0	3	428.558	2.691	50	30		IFEAHN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(OC(C)C)cc1	ZINC000102740659	557376001	/nfs/dbraw/zinc/37/60/01/557376001.db2.gz	WVAXFBFSBAESHN-MRJHHRETSA-N	0	3	440.544	2.807	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Br)c1	ZINC000102752481	557383151	/nfs/dbraw/zinc/38/31/51/557383151.db2.gz	NQPYIXWKRGYBTQ-HVESIFNPSA-N	0	3	447.333	2.772	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccccc1	ZINC000102753080	557383426	/nfs/dbraw/zinc/38/34/26/557383426.db2.gz	CSDMFHBEJXCALL-YDJIHCHBSA-N	0	3	435.480	2.505	50	30		IFEAHN
C=C(C)CNC(N[C@@H]1CCCN(C2CCCCC2)C1)=C(C#N)C(=O)Nc1ccnn1C	ZINC000225505161	557731537	/nfs/dbraw/zinc/73/15/37/557731537.db2.gz	JKIOKOGAHVVYKD-UYAOXDASSA-N	0	3	425.581	2.860	50	30		IFEAHN
Cc1cc[n+](C2=C([N-]S(=O)(=O)c3cccs3)C(=O)c3ccccc3C2=O)cc1C	ZINC000002329407	562926994	/nfs/dbraw/zinc/92/69/94/562926994.db2.gz	NXANSMQWMSOKQV-UHFFFAOYSA-O	0	3	425.511	2.879	50	30		IFEAHN
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1cc(F)c(F)c(F)c1)C2	ZINC000014745903	568827070	/nfs/dbraw/zinc/82/70/70/568827070.db2.gz	FXBRONKASJWNKR-HNNXBMFYSA-N	0	3	434.462	2.606	50	30		IFEAHN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000020219599	569356810	/nfs/dbraw/zinc/35/68/10/569356810.db2.gz	GJNMJOVFZGZPJR-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1C	ZINC000009046412	569498347	/nfs/dbraw/zinc/49/83/47/569498347.db2.gz	WSYXGRYZAYDBEU-IBGZPJMESA-N	0	3	443.500	2.931	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1	ZINC000009374313	569527115	/nfs/dbraw/zinc/52/71/15/569527115.db2.gz	PXWUAUZZCCOSAC-JBCNATCCSA-N	0	3	440.471	2.970	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccs1	ZINC000009374217	569527137	/nfs/dbraw/zinc/52/71/37/569527137.db2.gz	KVQUHOAYHZDURR-LFVOPCPISA-N	0	3	428.510	2.893	50	30		IFEAHN
C=CCOc1c(Br)cc(CNCCCSc2nnnn2C)cc1OC	ZINC000022108398	519001246	/nfs/dbraw/zinc/00/12/46/519001246.db2.gz	ZXVONXAPDJKLHL-UHFFFAOYSA-N	0	3	428.356	2.818	50	30		IFEAHN
C[C@@H]1CC[C@H]2[C@@H](CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13	ZINC000012662847	524714529	/nfs/dbraw/zinc/71/45/29/524714529.db2.gz	XSIDNRVZPCLOKP-PJINAYGWSA-N	0	3	438.568	2.793	50	30		IFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2	ZINC000032777052	556327507	/nfs/dbraw/zinc/32/75/07/556327507.db2.gz	RSOSUNGOGPPWAT-UHFFFAOYSA-N	0	3	443.573	2.995	50	30		IFEAHN
C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cccc(C(=O)NC)c1	ZINC000032777121	556327810	/nfs/dbraw/zinc/32/78/10/556327810.db2.gz	KBYFSDSZUAUXJY-UHFFFAOYSA-N	0	3	442.589	2.583	50	30		IFEAHN
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000004326100	556328754	/nfs/dbraw/zinc/32/87/54/556328754.db2.gz	FLNKZJMMNKJFSV-NHFXJNLRSA-N	0	3	426.469	2.733	50	30		IFEAHN
COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC	ZINC000019957416	556954995	/nfs/dbraw/zinc/95/49/95/556954995.db2.gz	ZWORKOLPHOEFBP-LJQANCHMSA-N	0	3	444.484	2.835	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccco1	ZINC000020219715	556999923	/nfs/dbraw/zinc/99/99/23/556999923.db2.gz	KFQISHXUSBZYFP-IBGZPJMESA-N	0	3	443.500	2.931	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1	ZINC000020228207	557001368	/nfs/dbraw/zinc/00/13/68/557001368.db2.gz	VMXLGDKPULMNMP-FQEVSTJZSA-N	0	3	426.444	2.737	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1	ZINC000020291852	557005959	/nfs/dbraw/zinc/00/59/59/557005959.db2.gz	WSKFVIVEWKCPEU-OAQYLSRUSA-N	0	3	438.480	2.693	50	30		IFEAHN
C=CCn1c2ccccc2n(Cc2ccc(C(=O)NC[C@H]3CCCN3CC)cc2)c(=O)c1=O	ZINC000033272752	557052405	/nfs/dbraw/zinc/05/24/05/557052405.db2.gz	MWRUIRPHMDNXNK-OAQYLSRUSA-N	0	3	446.551	2.612	50	30		IFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1C	ZINC000102534847	557344482	/nfs/dbraw/zinc/34/44/82/557344482.db2.gz	QGQBKGRIEVFENZ-ZMESVYRVSA-N	0	3	443.500	2.775	50	30		IFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2CCN(C)C)c1	ZINC000102735887	557373175	/nfs/dbraw/zinc/37/31/75/557373175.db2.gz	KNYYOIVNTWGRKQ-NHFXJNLRSA-N	0	3	428.460	2.826	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccn1	ZINC000102713087	557374412	/nfs/dbraw/zinc/37/44/12/557374412.db2.gz	DMSUAMDLGJWTBB-JBCNATCCSA-N	0	3	439.512	2.862	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102741663	557376357	/nfs/dbraw/zinc/37/63/57/557376357.db2.gz	MUMQGWGREJWBTH-MRJHHRETSA-N	0	3	440.496	2.696	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3OC)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102741661	557376443	/nfs/dbraw/zinc/37/64/43/557376443.db2.gz	MUMQGWGREJWBTH-JBCNATCCSA-N	0	3	440.496	2.696	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)c1C	ZINC000102861862	557402496	/nfs/dbraw/zinc/40/24/96/557402496.db2.gz	QRXFQFMNOWQLFJ-WENBPLFZSA-N	0	3	443.500	2.693	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC	ZINC000104210287	557453456	/nfs/dbraw/zinc/45/34/56/557453456.db2.gz	NFXUQNFKGKWLBG-YDJIHCHBSA-N	0	3	428.460	2.826	50	30		IFEAHN
CN(C)CCN(C)C(=O)c1cccc(OC2CCN(C(=O)C#Cc3ccccc3)CC2)c1	ZINC000011957550	568821078	/nfs/dbraw/zinc/82/10/78/568821078.db2.gz	ZZVBANCNKZJVJX-UHFFFAOYSA-N	0	3	433.552	2.742	50	30		IFEAHN
COc1ccccc1CNC(=O)CC1N=C2c3ccccc3N=C(SCC#N)N2C1=O	ZINC000002968485	569433175	/nfs/dbraw/zinc/43/31/75/569433175.db2.gz	MXWKSLHYFIZDEL-KRWDZBQOSA-N	0	3	433.493	2.617	50	30		IFEAHN
COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000009240377	569514588	/nfs/dbraw/zinc/51/45/88/569514588.db2.gz	IBAWAKUHKRWRDI-NHFXJNLRSA-N	0	3	439.468	2.977	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F	ZINC000009312006	569521886	/nfs/dbraw/zinc/52/18/86/569521886.db2.gz	RMORMTKEIGBYTO-MRJHHRETSA-N	0	3	440.471	2.970	50	30		IFEAHN
C#CCN(Cc1cc(OC)ccc1OC[C@H](O)CN1CCC(O)CC1)C1CCCCC1	ZINC000055211654	518257328	/nfs/dbraw/zinc/25/73/28/518257328.db2.gz	LRRMNWZJTPEIEC-HSZRJFAPSA-N	0	3	430.589	2.660	50	30		IFEAHN
COc1cccc([C@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000013689563	524171301	/nfs/dbraw/zinc/17/13/01/524171301.db2.gz	ZHEWOMDQLTWSAF-IBGZPJMESA-N	0	3	442.516	2.574	50	30		IFEAHN
COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(O)c(OC)c2)c1	ZINC000013470751	525781914	/nfs/dbraw/zinc/78/19/14/525781914.db2.gz	HIINIEARFCEUDT-FQEVSTJZSA-N	0	3	426.469	2.549	50	30		IFEAHN
COc1ccc([C@@H]2C(C(=O)c3c(C)n[nH]c3C)=C(O)C(=O)N2CCCN(C)C)cc1OC	ZINC000013732203	556720863	/nfs/dbraw/zinc/72/08/63/556720863.db2.gz	SPDGIWKUTVDAQT-HXUWFJFHSA-N	0	3	442.516	2.574	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3OC)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013729070	556721228	/nfs/dbraw/zinc/72/12/28/556721228.db2.gz	FIZPWLNBMHOGJF-NRFANRHFSA-N	0	3	440.496	2.852	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)c(OC)c1	ZINC000013734913	556721825	/nfs/dbraw/zinc/72/18/25/556721825.db2.gz	SACSHUWPAFQQAR-FQEVSTJZSA-N	0	3	425.485	2.629	50	30		IFEAHN
COc1cccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013733738	556722417	/nfs/dbraw/zinc/72/24/17/556722417.db2.gz	FBBRTDDPHIYCSZ-FQEVSTJZSA-N	0	3	426.517	2.576	50	30		IFEAHN
COc1cccc([C@@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)c1	ZINC000013733741	556722454	/nfs/dbraw/zinc/72/24/54/556722454.db2.gz	FBBRTDDPHIYCSZ-HXUWFJFHSA-N	0	3	426.517	2.576	50	30		IFEAHN
CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCCN(C)C	ZINC000024192888	557139962	/nfs/dbraw/zinc/13/99/62/557139962.db2.gz	ZWAUWGRRZJCERR-VWLOTQADSA-N	0	3	433.508	2.737	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)c1C	ZINC000102528901	557354420	/nfs/dbraw/zinc/35/44/20/557354420.db2.gz	BKFVZTVMMCPPNB-ZMESVYRVSA-N	0	3	443.475	2.541	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c1C	ZINC000102928848	557410741	/nfs/dbraw/zinc/41/07/41/557410741.db2.gz	LIIILUDCHYOAGP-ASBZNUFUSA-N	0	3	439.512	2.792	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1C	ZINC000009067654	562966859	/nfs/dbraw/zinc/96/68/59/562966859.db2.gz	VOHDIEKXAIWLGG-QGZVFWFLSA-N	0	3	431.514	2.620	50	30		IFEAHN
CCCCC12CN3CC(CN(C1)CC3)C2=N/N=C1\C2CN3CC1(CCCC)CN(C2)CC3	ZINC000252327536	569183111	/nfs/dbraw/zinc/18/31/11/569183111.db2.gz	PDAAVCPESIAHIB-BCYWNMDCSA-N	0	3	440.680	2.659	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(O)c2)cc1OC	ZINC000020231337	569356961	/nfs/dbraw/zinc/35/69/61/569356961.db2.gz	ZQTGCWRXNNPCFU-NRFANRHFSA-N	0	3	440.496	2.939	50	30		IFEAHN
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)o1	ZINC000004041225	569458375	/nfs/dbraw/zinc/45/83/75/569458375.db2.gz	FLNKZJMMNKJFSV-YDJIHCHBSA-N	0	3	426.469	2.733	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F	ZINC000009312005	569521821	/nfs/dbraw/zinc/52/18/21/569521821.db2.gz	RMORMTKEIGBYTO-JBCNATCCSA-N	0	3	440.471	2.970	50	30		IFEAHN
N#Cc1c2c(c(-c3ccccc3)nc1N1CCN(C(=O)CNC[C@@H]3CCCO3)CC1)CCC2	ZINC000009435746	132317673	/nfs/dbraw/zinc/31/76/73/132317673.db2.gz	SXRNWWJCIPAZIR-FQEVSTJZSA-N	0	3	445.567	2.526	50	30		IFEAHN
C#CCN(Cc1cc(OC)ccc1OC[C@@H](O)CN1CCC(O)CC1)C1CCCCC1	ZINC000055211655	518258924	/nfs/dbraw/zinc/25/89/24/518258924.db2.gz	LRRMNWZJTPEIEC-QHCPKHFHSA-N	0	3	430.589	2.660	50	30		IFEAHN
C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1	ZINC000036314004	518985639	/nfs/dbraw/zinc/98/56/39/518985639.db2.gz	KARGXMYXTSQGDG-NRFANRHFSA-N	0	3	427.545	2.954	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)c(OC)c1	ZINC000102736650	523373965	/nfs/dbraw/zinc/37/39/65/523373965.db2.gz	ONEXOVQTCVGXLL-NHFXJNLRSA-N	0	3	428.460	2.826	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c(OC)c1	ZINC000013687516	523552448	/nfs/dbraw/zinc/55/24/48/523552448.db2.gz	CEFJNYQEEIKVCE-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
COc1ccccc1[C@H]1C(C(=O)c2c(C)nn(C)c2C)=C(O)C(=O)N1CCCN(C)C	ZINC000013684600	524802295	/nfs/dbraw/zinc/80/22/95/524802295.db2.gz	JQAIAHIADMKRBL-FQEVSTJZSA-N	0	3	426.517	2.576	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3c(C)nn(C)c3C)=C(O)C(=O)N2CCCN(C)C)cc1	ZINC000013692524	525387623	/nfs/dbraw/zinc/38/76/23/525387623.db2.gz	DXOCPRCEXJDYSO-FQEVSTJZSA-N	0	3	426.517	2.576	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1OC	ZINC000019938562	556952550	/nfs/dbraw/zinc/95/25/50/556952550.db2.gz	CURVQHFWYHTVQJ-HXUWFJFHSA-N	0	3	425.485	2.629	50	30		IFEAHN
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1C	ZINC000102534854	557344613	/nfs/dbraw/zinc/34/46/13/557344613.db2.gz	QGQBKGRIEVFENZ-WENBPLFZSA-N	0	3	443.500	2.775	50	30		IFEAHN
Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cnn1-c1ccccc1	ZINC000102509392	557349267	/nfs/dbraw/zinc/34/92/67/557349267.db2.gz	ARLHWEYQWKKUDK-MOBKVPTQSA-N	0	3	445.523	2.949	50	30		IFEAHN
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000100184965	557353046	/nfs/dbraw/zinc/35/30/46/557353046.db2.gz	YDQQYFHSOXIFBE-CQAGSAPUSA-N	0	3	427.504	2.694	50	30		IFEAHN
Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(OC(C)C)cc1	ZINC000102746100	557378101	/nfs/dbraw/zinc/37/81/01/557378101.db2.gz	KVZLDACPUKYRMO-NHFXJNLRSA-N	0	3	426.517	2.797	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)c1C	ZINC000102861866	557402577	/nfs/dbraw/zinc/40/25/77/557402577.db2.gz	QRXFQFMNOWQLFJ-ZMESVYRVSA-N	0	3	443.500	2.693	50	30		IFEAHN
COc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020219742	563024142	/nfs/dbraw/zinc/02/41/42/563024142.db2.gz	QSTWZVHIJRHFNG-NRFANRHFSA-N	0	3	438.480	2.606	50	30		IFEAHN
COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cccc(C#CC(C)(C)O)c2)CC1	ZINC000012030319	568821301	/nfs/dbraw/zinc/82/13/01/568821301.db2.gz	CDENKPAFENIPSB-DEOSSOPVSA-N	0	3	442.600	2.789	50	30		IFEAHN
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCN(C)Cc2cccc(C#N)c2)c1	ZINC000026325403	568876624	/nfs/dbraw/zinc/87/66/24/568876624.db2.gz	FPAUDIKPGPRGIH-UHFFFAOYSA-N	0	3	434.949	2.923	50	30		IFEAHN
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]1[C@@H]1CCCN12	ZINC000248180329	568919145	/nfs/dbraw/zinc/91/91/45/568919145.db2.gz	YDQQYFHSOXIFBE-YGWSKSRPSA-N	0	3	427.504	2.694	50	30		IFEAHN
CC(C)(C)NC(=O)CN1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000039935358	569482035	/nfs/dbraw/zinc/48/20/35/569482035.db2.gz	XGXDBGRLJNQSPU-UHFFFAOYSA-N	0	3	445.633	2.750	50	30		IFEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000008921958	569486862	/nfs/dbraw/zinc/48/68/62/569486862.db2.gz	ILQHVXQKHGKIQS-FQEVSTJZSA-N	0	3	449.467	2.691	50	30		IFEAHN
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cc(OC)ccc1OC	ZINC000009271673	569517804	/nfs/dbraw/zinc/51/78/04/569517804.db2.gz	BVCIRPGNCIKKFE-MRJHHRETSA-N	0	3	439.512	2.862	50	30		IFEAHN
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(O)c2)cc1OC	ZINC000009334016	569523233	/nfs/dbraw/zinc/52/32/33/569523233.db2.gz	FVFMJMWZZICTPR-JBCNATCCSA-N	0	3	440.496	2.783	50	30		IFEAHN
C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCOCC1)CC1CC1	ZINC000036314003	518993722	/nfs/dbraw/zinc/99/37/22/518993722.db2.gz	KARGXMYXTSQGDG-OAQYLSRUSA-N	0	3	427.545	2.954	50	30		IFEAHN
COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000013551921	522162653	/nfs/dbraw/zinc/16/26/53/522162653.db2.gz	WDVVJBPCYLSYAX-HXUWFJFHSA-N	0	3	438.480	2.622	50	30		IFEAHN
COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC	ZINC000013552087	522918937	/nfs/dbraw/zinc/91/89/37/522918937.db2.gz	HTDNQZXZOGMBSZ-HXUWFJFHSA-N	0	3	440.496	2.852	50	30		IFEAHN
Cc1nn(C)c(C)c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(OC(C)C)cc1	ZINC000013691381	527605956	/nfs/dbraw/zinc/60/59/56/527605956.db2.gz	RHOMINNTNFRYBP-NRFANRHFSA-N	0	3	440.544	2.964	50	30		IFEAHN
CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@@H](C)COC)CC1	ZINC000004326821	535605196	/nfs/dbraw/zinc/60/51/96/535605196.db2.gz	MXMPJJPDNWXFMD-RDJZCZTQSA-N	0	3	440.500	2.595	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccncc1	ZINC000009008972	556240526	/nfs/dbraw/zinc/24/05/26/556240526.db2.gz	BLVHBGMDTNECEK-HXUWFJFHSA-N	0	3	433.512	2.876	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)cc1C	ZINC000016946261	556649920	/nfs/dbraw/zinc/64/99/20/556649920.db2.gz	FALLPRYNWDEPJE-OAQYLSRUSA-N	0	3	440.496	2.858	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(O)c(OC)c2)c(C)c1	ZINC000017112516	556667719	/nfs/dbraw/zinc/66/77/19/556667719.db2.gz	CLVQRJWBGMJWGW-OAQYLSRUSA-N	0	3	440.496	2.858	50	30		IFEAHN
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)oc(=O)n3C)[C@H]1c1ccccc1	ZINC000013728041	556720574	/nfs/dbraw/zinc/72/05/74/556720574.db2.gz	RPUMTCXZWMFJHC-HXUWFJFHSA-N	0	3	435.480	2.662	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccncc1	ZINC000102486813	557331484	/nfs/dbraw/zinc/33/14/84/557331484.db2.gz	JDHWLDSLQHLPHU-QOJBNDRUSA-N	0	3	433.512	2.720	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102543022	557348364	/nfs/dbraw/zinc/34/83/64/557348364.db2.gz	BBYZTMUNTLJABO-NHFXJNLRSA-N	0	3	439.468	2.895	50	30		IFEAHN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102543029	557348468	/nfs/dbraw/zinc/34/84/68/557348468.db2.gz	BBYZTMUNTLJABO-YDJIHCHBSA-N	0	3	439.468	2.895	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)c1C	ZINC000102528909	557354338	/nfs/dbraw/zinc/35/43/38/557354338.db2.gz	BKFVZTVMMCPPNB-WENBPLFZSA-N	0	3	443.475	2.541	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1	ZINC000102718743	557375254	/nfs/dbraw/zinc/37/52/54/557375254.db2.gz	QYXJXJPYWLPRFV-YDJIHCHBSA-N	0	3	426.444	2.580	50	30		IFEAHN
COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2CCN(C)C)cc1	ZINC000102876862	557406382	/nfs/dbraw/zinc/40/63/82/557406382.db2.gz	LCTBXBZCYRJTMU-MRJHHRETSA-N	0	3	440.496	2.696	50	30		IFEAHN
CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCNCCO)cc1	ZINC000025179978	557529046	/nfs/dbraw/zinc/52/90/46/557529046.db2.gz	JKQADUHOWCRPSC-FQEVSTJZSA-N	0	3	443.931	2.566	50	30		IFEAHN
COc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)c1	ZINC000020219743	563024114	/nfs/dbraw/zinc/02/41/14/563024114.db2.gz	QSTWZVHIJRHFNG-OAQYLSRUSA-N	0	3	438.480	2.606	50	30		IFEAHN
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1cc(F)c(F)c(F)c1)C2	ZINC000014745902	568826936	/nfs/dbraw/zinc/82/69/36/568826936.db2.gz	FXBRONKASJWNKR-OAHLLOKOSA-N	0	3	434.462	2.606	50	30		IFEAHN
CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)O[C@H](C)COC)C1	ZINC000245312537	568914833	/nfs/dbraw/zinc/91/48/33/568914833.db2.gz	VRNMYRSDOYQESS-ZACQAIPSSA-N	0	3	440.500	2.595	50	30		IFEAHN
COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCCN(C)C)c1OC	ZINC000020219589	569356800	/nfs/dbraw/zinc/35/68/00/569356800.db2.gz	TVLKWCCQMVDWTG-IBGZPJMESA-N	0	3	425.485	2.629	50	30		IFEAHN
CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1	ZINC000020231383	569357032	/nfs/dbraw/zinc/35/70/32/569357032.db2.gz	AGZMEWBPBJEBHB-HXUWFJFHSA-N	0	3	426.444	2.737	50	30		IFEAHN
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)c1C	ZINC000020290555	569359504	/nfs/dbraw/zinc/35/95/04/569359504.db2.gz	IYUGRYZHDCSBDD-LJQANCHMSA-N	0	3	443.500	2.850	50	30		IFEAHN
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000008921961	569486873	/nfs/dbraw/zinc/48/68/73/569486873.db2.gz	ILQHVXQKHGKIQS-HXUWFJFHSA-N	0	3	449.467	2.691	50	30		IFEAHN
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccnc1	ZINC000009186640	569510287	/nfs/dbraw/zinc/51/02/87/569510287.db2.gz	YNSGPLQLBCHSJC-FQEVSTJZSA-N	0	3	433.512	2.876	50	30		IFEAHN