smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1	ZINC000013831712	563011229	/nfs/dbraw/zinc/01/12/29/563011229.db2.gz	FFYHJRQRUXNJJJ-UHFFFAOYSA-N	0	0	449.510	1.025	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(c3nc(SC)nc(Cl)c3C=NO)CC2)C1=O	ZINC001164634694	719271130	/nfs/dbraw/zinc/27/11/30/719271130.db2.gz	LNYRVMPCQGVIGL-UHFFFAOYSA-N	0	0	442.973	1.419	20	30		IDEDRN
CN1CCN(c2nccc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)n3)C4)n2)CC1	ZINC001164665451	719359327	/nfs/dbraw/zinc/35/93/27/719359327.db2.gz	XOASHTYPEOFYDR-XMMPIXPASA-N	0	0	448.575	1.618	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCn2c(CN3CCOCC3)nnc2C1	ZINC001164677229	719575168	/nfs/dbraw/zinc/57/51/68/719575168.db2.gz	VYFKOMBTVVUWKY-UHFFFAOYSA-N	0	0	431.884	1.227	20	30		IDEDRN
N#Cc1ccc(N2C[C@@]3(COCCN([C@@H](F)Oc4cncc(Cl)n4)C3)OCC2=O)cc1	ZINC001164694774	719783549	/nfs/dbraw/zinc/78/35/49/719783549.db2.gz	GSBIRIBLEGBGID-UXHICEINSA-N	0	0	447.854	1.768	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1	ZINC001164717833	720215760	/nfs/dbraw/zinc/21/57/60/720215760.db2.gz	JDILMIVDIWKRNF-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccc(C4(C#N)CCOCC4)cn3)C2)C1	ZINC001164720775	720278196	/nfs/dbraw/zinc/27/81/96/720278196.db2.gz	DPBRVZVQGADOMR-QFIPXVFZSA-N	0	0	427.549	1.318	20	30		IDEDRN
COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)ncc1C#N	ZINC001164825625	720363524	/nfs/dbraw/zinc/36/35/24/720363524.db2.gz	RZUUQVGMAWQWKZ-UHFFFAOYSA-N	0	0	427.534	1.435	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncc(CC#N)cc1Cl)C2	ZINC001164834789	720477910	/nfs/dbraw/zinc/47/79/10/720477910.db2.gz	VANWSYLVQKJKJS-KRWDZBQOSA-N	0	0	430.940	1.987	20	30		IDEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(S(N)(=O)=O)cnc1Cl)CC2	ZINC001164781562	721446556	/nfs/dbraw/zinc/44/65/56/721446556.db2.gz	GIWVQUYGGDPGKS-UHFFFAOYSA-N	0	0	447.895	1.926	20	30		IDEDRN
C=CCNC(=O)c1cccnc1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2	ZINC001164925143	721832076	/nfs/dbraw/zinc/83/20/76/721832076.db2.gz	YGNCATBZPHXRKR-QFIPXVFZSA-N	0	0	443.573	1.870	20	30		IDEDRN
Cc1nc(CN2CCOC[C@]3(CN(c4nc5c(cc4C#N)COCC5)CCO3)C2)cs1	ZINC001164920686	721833219	/nfs/dbraw/zinc/83/32/19/721833219.db2.gz	ALYXVMMSFLCDEA-JOCHJYFZSA-N	0	0	441.557	1.899	20	30		IDEDRN
CCc1nc(C#N)c(C#N)nc1N1CCO[C@@]2(C1)COCCN(Cc1csc(C)n1)C2	ZINC001164920712	721833981	/nfs/dbraw/zinc/83/39/81/721833981.db2.gz	ASQKCLYBXWYDTR-NRFANRHFSA-N	0	0	439.545	1.655	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)C1=O	ZINC001164633893	719268416	/nfs/dbraw/zinc/26/84/16/719268416.db2.gz	JKKNWFLMGHRJLW-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
N#Cc1ccc(N2C[C@]3(COCCN([C@@H](F)Oc4ccc(Cl)nn4)C3)OCC2=O)cc1	ZINC001164694221	719785075	/nfs/dbraw/zinc/78/50/75/719785075.db2.gz	DFWADBWUYCTRHV-WOJBJXKFSA-N	0	0	447.854	1.768	20	30		IDEDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164700574	719866156	/nfs/dbraw/zinc/86/61/56/719866156.db2.gz	DYMODQIBMGSLFJ-SIKLNZKXSA-N	0	0	428.533	1.886	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3ccc(C4(C#N)CCOCC4)cn3)C2)C1	ZINC001164720774	720277580	/nfs/dbraw/zinc/27/75/80/720277580.db2.gz	DPBRVZVQGADOMR-JOCHJYFZSA-N	0	0	427.549	1.318	20	30		IDEDRN
C=CCNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1	ZINC001164831812	720470541	/nfs/dbraw/zinc/47/05/41/720470541.db2.gz	RGSXTGZPVDLHJN-SFHVURJKSA-N	0	0	440.548	1.184	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1nc(Cl)ccc1C#N)C2	ZINC001165010896	721722713	/nfs/dbraw/zinc/72/27/13/721722713.db2.gz	KMLAMSYWFFTGQB-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001165010468	721723058	/nfs/dbraw/zinc/72/30/58/721723058.db2.gz	HOERVSSLSFLFIL-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4nc5c(cc4C#N)COCC5)CCO3)C2)cs1	ZINC001164920687	721833351	/nfs/dbraw/zinc/83/33/51/721833351.db2.gz	ALYXVMMSFLCDEA-QFIPXVFZSA-N	0	0	441.557	1.899	20	30		IDEDRN
C=CCN1CCN(c2nc3ccc(OC)cc3nc2O[C@@H]2CN[C@@H](C(=O)OC)C2)CC1	ZINC001165031680	721866876	/nfs/dbraw/zinc/86/68/76/721866876.db2.gz	QCAJRFNOFCBFKI-QFBILLFUSA-N	0	0	427.505	1.229	20	30		IDEDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C#N	ZINC001164703354	719837870	/nfs/dbraw/zinc/83/78/70/719837870.db2.gz	QTLLQRRRMXWKRG-XIKOKIGWSA-N	0	0	425.942	1.956	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)c(Cl)cc1C#N)CC2	ZINC001164708877	719908924	/nfs/dbraw/zinc/90/89/24/719908924.db2.gz	LMNGVCLBNFVFND-UHFFFAOYSA-N	0	0	434.331	1.944	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1	ZINC001164717835	720214716	/nfs/dbraw/zinc/21/47/16/720214716.db2.gz	JDILMIVDIWKRNF-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3C#N)C2)C1	ZINC001164716360	720218905	/nfs/dbraw/zinc/21/89/05/720218905.db2.gz	CAKCLWAWSWBBCZ-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3c(C#N)cnc4cnc(Cl)cc43)C2)C1	ZINC001164719941	720222915	/nfs/dbraw/zinc/22/29/15/720222915.db2.gz	UUKMWCFDWFSDQT-NRFANRHFSA-N	0	0	428.924	1.820	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C#N)C2)C1	ZINC001164720510	720237169	/nfs/dbraw/zinc/23/71/69/720237169.db2.gz	XQUBIHJXZNHRHI-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(C#N)ccc1[N+](=O)[O-])C2	ZINC001164825636	720451741	/nfs/dbraw/zinc/45/17/41/720451741.db2.gz	SWIZMOWRQJZKIR-OAHLLOKOSA-N	0	0	427.465	1.048	20	30		IDEDRN
C=CCOc1cc(C)nc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)n1	ZINC001164825366	720454236	/nfs/dbraw/zinc/45/42/36/720454236.db2.gz	ROVDKTWPFIRRKA-SFHVURJKSA-N	0	0	428.537	1.536	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2CN(CCOC)C(=O)[C@@H]2C1	ZINC001164902284	721574402	/nfs/dbraw/zinc/57/44/02/721574402.db2.gz	JENKECKPGZKXNP-TZMCWYRMSA-N	0	0	442.850	1.869	20	30		IDEDRN
Cc1nc(CN2CCOC[C@]3(CN(c4nc(C#N)ccc4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164924661	721827329	/nfs/dbraw/zinc/82/73/29/721827329.db2.gz	NKTIQDBPWULGAC-LJQANCHMSA-N	0	0	430.490	1.734	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)C1=O	ZINC001164639177	719277816	/nfs/dbraw/zinc/27/78/16/719277816.db2.gz	JGXNMNUNDQJEKC-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164700576	719865920	/nfs/dbraw/zinc/86/59/20/719865920.db2.gz	DYMODQIBMGSLFJ-UGKGYDQZSA-N	0	0	428.533	1.886	20	30		IDEDRN
Cc1nc(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)c(C#N)c(C)c1Cl	ZINC001164701834	719934359	/nfs/dbraw/zinc/93/43/59/719934359.db2.gz	CWDCTFVKEPFFGI-UHFFFAOYSA-N	0	0	427.940	1.907	20	30		IDEDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc([N+](=O)[O-])cc4C#N)CC3)C2=O)cs1	ZINC001164824171	720366963	/nfs/dbraw/zinc/36/69/63/720366963.db2.gz	KFHFEBJHZIDVMJ-UHFFFAOYSA-N	0	0	441.517	1.940	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(C#N)c(C#N)nc1Cl)C2	ZINC001164823373	720453364	/nfs/dbraw/zinc/45/33/64/720453364.db2.gz	IOEVONIPGIPMQO-AWEZNQCLSA-N	0	0	442.911	1.059	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(C#N)c(C#N)nc1Cl)C2	ZINC001164823374	720453507	/nfs/dbraw/zinc/45/35/07/720453507.db2.gz	IOEVONIPGIPMQO-CQSZACIVSA-N	0	0	442.911	1.059	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncc(CC#N)cc1Cl)C2	ZINC001164834790	720477820	/nfs/dbraw/zinc/47/78/20/720477820.db2.gz	VANWSYLVQKJKJS-QGZVFWFLSA-N	0	0	430.940	1.987	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc3c(cc1C#N)COCC3)C2	ZINC001164834478	720478272	/nfs/dbraw/zinc/47/82/72/720478272.db2.gz	SLLNAKCXNYXVEW-LJQANCHMSA-N	0	0	438.532	1.212	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2CN(CCOC)C(=O)[C@@H]2C1	ZINC001164902281	721574640	/nfs/dbraw/zinc/57/46/40/721574640.db2.gz	JENKECKPGZKXNP-GXTWGEPZSA-N	0	0	442.850	1.869	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001165009859	721723621	/nfs/dbraw/zinc/72/36/21/721723621.db2.gz	BDTWNWOFSAVWTO-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
C=CCN1CCN(c2nc3ccc(OC)cc3nc2O[C@H]2CN[C@H](C(=O)OC)C2)CC1	ZINC001165031678	721866959	/nfs/dbraw/zinc/86/69/59/721866959.db2.gz	QCAJRFNOFCBFKI-APWZRJJASA-N	0	0	427.505	1.229	20	30		IDEDRN
CCOC(=O)C[C@@H]1C(=O)NCCN1C(F)(F)c1nc(Cl)c(C#N)cc1C(=O)OCC	ZINC001165034718	721875087	/nfs/dbraw/zinc/87/50/87/721875087.db2.gz	NYPYKQZRNOBBQH-GFCCVEGCSA-N	0	0	444.822	1.586	20	30		IDEDRN
CSc1nc(Cl)c(C#N)c(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1	ZINC001164996107	722229074	/nfs/dbraw/zinc/22/90/74/722229074.db2.gz	FLDIYCNBJCOXPT-UHFFFAOYSA-N	0	0	430.969	1.871	20	30		IDEDRN
CCOC(=O)c1cc(C)nc(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)c1C#N	ZINC001164697228	719847582	/nfs/dbraw/zinc/84/75/82/719847582.db2.gz	BYLNGXROIKNEBU-AOMKIAJQSA-N	0	0	430.505	1.671	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)cc1C#N)CC2	ZINC001164708275	719918117	/nfs/dbraw/zinc/91/81/17/719918117.db2.gz	GXYRLTZWYGMWPH-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C#N)C2)C1	ZINC001164718684	720255404	/nfs/dbraw/zinc/25/54/04/720255404.db2.gz	GYRAFUZMJXBZSU-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C#N)C2)C1	ZINC001164720896	720272801	/nfs/dbraw/zinc/27/28/01/720272801.db2.gz	FKSOOHOHOAFGMU-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164722743	720304111	/nfs/dbraw/zinc/30/41/11/720304111.db2.gz	LEYMXANAUPNPFR-QFIPXVFZSA-N	0	0	438.488	1.679	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncc([N+](=O)[O-])cc1C#N)C2	ZINC001164825597	720447192	/nfs/dbraw/zinc/44/71/92/720447192.db2.gz	SMMXHGRRUYCQRW-INIZCTEOSA-N	0	0	427.465	1.048	20	30		IDEDRN
COc1nc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)c(F)cc1C#N	ZINC001164828913	720468706	/nfs/dbraw/zinc/46/87/06/720468706.db2.gz	CFVQELABGHTCNP-MRXNPFEDSA-N	0	0	430.484	1.287	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001165010387	721723688	/nfs/dbraw/zinc/72/36/88/721723688.db2.gz	GXHJAOFGKLTTJI-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
CCc1nc(C#N)c(C#N)nc1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2	ZINC001164920713	721833834	/nfs/dbraw/zinc/83/38/34/721833834.db2.gz	ASQKCLYBXWYDTR-OAQYLSRUSA-N	0	0	439.545	1.655	20	30		IDEDRN
COCCN1CCO[C@@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@@H]2C1=O	ZINC001164922507	721843407	/nfs/dbraw/zinc/84/34/07/721843407.db2.gz	QNXLQEGSUUYESN-SWLSCSKDSA-N	0	0	444.866	1.860	20	30		IDEDRN
COc1cc(C(F)(F)N2C[C@@H]3CN(S(=O)(=O)N(C)C)CC[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164954513	721988981	/nfs/dbraw/zinc/98/89/81/721988981.db2.gz	WJWTVCAUDPRJCR-VXGBXAGGSA-N	0	0	449.911	1.725	20	30		IDEDRN
CSc1nc(Cl)c(C=NO)c(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1	ZINC001164996068	722231103	/nfs/dbraw/zinc/23/11/03/722231103.db2.gz	CHXRHYPVVFFYDM-UHFFFAOYSA-N	0	0	448.984	1.807	20	30		IDEDRN
Cc1ccc([C@@H](C#N)c2ccc(N3CCn4c(CN5CCOCC5)nnc4C3)nn2)cc1	ZINC001164676722	719570404	/nfs/dbraw/zinc/57/04/04/719570404.db2.gz	LKMPUDBOXZGKIT-LJQANCHMSA-N	0	0	430.516	1.884	20	30		IDEDRN
N#Cc1ccc(N2C[C@]3(COCCN([C@H](F)Oc4ccc(Cl)nn4)C3)OCC2=O)cc1	ZINC001164694220	719785437	/nfs/dbraw/zinc/78/54/37/719785437.db2.gz	DFWADBWUYCTRHV-VQTJNVASSA-N	0	0	447.854	1.768	20	30		IDEDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=NO	ZINC001164705840	719846595	/nfs/dbraw/zinc/84/65/95/719846595.db2.gz	WCSMKRXIPFTPAA-KPZWWZAWSA-N	0	0	443.957	1.893	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1cc(Cl)ncc1C#N)CC2	ZINC001164709604	719911935	/nfs/dbraw/zinc/91/19/35/719911935.db2.gz	YYWFSBHSNWQHEP-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
CSc1nc(Cl)c(C#N)c(N2CCc3c(C(=O)N4CCN(C)CC4)nn(C)c3C2)n1	ZINC001164705440	719925519	/nfs/dbraw/zinc/92/55/19/719925519.db2.gz	YRBTZWBVFSJLKD-UHFFFAOYSA-N	0	0	446.968	1.407	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(Cl)cc(Cl)c1C#N)CC2	ZINC001164708615	719934959	/nfs/dbraw/zinc/93/49/59/719934959.db2.gz	NELUVQPHAJTTJX-UHFFFAOYSA-N	0	0	434.331	1.944	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(C#C[Si](C)(C)C)ccn1)CC2	ZINC001164707997	719937729	/nfs/dbraw/zinc/93/77/29/719937729.db2.gz	AESSEAZPWFIFQW-UHFFFAOYSA-N	0	0	436.636	1.994	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(SC)nc(Cl)c3C=NO)C2)C1	ZINC001164717910	720230709	/nfs/dbraw/zinc/23/07/09/720230709.db2.gz	KWPDXKTVBUKYQO-SFHVURJKSA-N	0	0	442.973	1.325	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(SC)nc(Cl)c3C=NO)C2)C1	ZINC001164717909	720230944	/nfs/dbraw/zinc/23/09/44/720230944.db2.gz	KWPDXKTVBUKYQO-GOSISDBHSA-N	0	0	442.973	1.325	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(Cl)c(F)cc1C#N)C2	ZINC001164826197	720430803	/nfs/dbraw/zinc/43/08/03/720430803.db2.gz	OSQILSIBHQLJRX-HNNXBMFYSA-N	0	0	434.903	1.932	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ncnc3ccc(C#N)cc31)C2	ZINC001164826242	720437487	/nfs/dbraw/zinc/43/74/87/720437487.db2.gz	VDIQBTKPGMQOBD-SFHVURJKSA-N	0	0	433.516	1.688	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001165011982	721722682	/nfs/dbraw/zinc/72/26/82/721722682.db2.gz	XAZRPWMYVKBMGP-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001165012044	721722753	/nfs/dbraw/zinc/72/27/53/721722753.db2.gz	ZRPUIZLOSHEENT-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
COc1nc(N2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)c(F)cc1C#N	ZINC001164923601	721831516	/nfs/dbraw/zinc/83/15/16/721831516.db2.gz	SOTOCBVOQUNIPC-FQEVSTJZSA-N	0	0	433.509	1.974	20	30		IDEDRN
C=CCNC(=O)c1cccnc1N1CCO[C@]2(C1)COCCN(Cc1csc(C)n1)C2	ZINC001164925140	721832125	/nfs/dbraw/zinc/83/21/25/721832125.db2.gz	YGNCATBZPHXRKR-JOCHJYFZSA-N	0	0	443.573	1.870	20	30		IDEDRN
C=CCN1CCN(c2nc3ccc(OC)cc3nc2O[C@@H]2CN[C@H](C(=O)OC)C2)CC1	ZINC001165031679	721866767	/nfs/dbraw/zinc/86/67/67/721866767.db2.gz	QCAJRFNOFCBFKI-LPHOPBHVSA-N	0	0	427.505	1.229	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)C1=O	ZINC001164634719	719274298	/nfs/dbraw/zinc/27/42/98/719274298.db2.gz	MPHWGFVWWPGFAG-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
N#Cc1ccc(N2C[C@@]3(COCCN([C@H](F)Oc4ccc(Cl)nn4)C3)OCC2=O)cc1	ZINC001164694201	719785417	/nfs/dbraw/zinc/78/54/17/719785417.db2.gz	DFWADBWUYCTRHV-PMACEKPBSA-N	0	0	447.854	1.768	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2	ZINC001164708920	719911789	/nfs/dbraw/zinc/91/17/89/719911789.db2.gz	NJMZQJDUISDKTB-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C2)C1	ZINC001164717509	720247001	/nfs/dbraw/zinc/24/70/01/720247001.db2.gz	ABKQZNDCDNXOAZ-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2C(=O)N(CCOC)C[C@H]2C1	ZINC001164902282	721574554	/nfs/dbraw/zinc/57/45/54/721574554.db2.gz	JENKECKPGZKXNP-JSGCOSHPSA-N	0	0	442.850	1.869	20	30		IDEDRN
COc1cc(C(F)(F)N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)c(C#N)c(Cl)n1	ZINC001164798707	721595875	/nfs/dbraw/zinc/59/58/75/721595875.db2.gz	LBIRHMHTTJYKMQ-QLFBSQMISA-N	0	0	442.850	1.755	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001165011052	721723060	/nfs/dbraw/zinc/72/30/60/721723060.db2.gz	MUTOKJMERRLMNX-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C#N	ZINC001164703352	719838030	/nfs/dbraw/zinc/83/80/30/719838030.db2.gz	QTLLQRRRMXWKRG-KZULUSFZSA-N	0	0	425.942	1.956	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C#N)c3)C2)C1	ZINC001164719032	720254572	/nfs/dbraw/zinc/25/45/72/720254572.db2.gz	KKYZVJYFOSOLGC-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3C#N)C2)C1	ZINC001164718096	720255035	/nfs/dbraw/zinc/25/50/35/720255035.db2.gz	CDMVOAQWVAUHDJ-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C2)C1	ZINC001164722001	720272284	/nfs/dbraw/zinc/27/22/84/720272284.db2.gz	OESGTJYKGAFXLI-QHCPKHFHSA-N	0	0	442.564	1.603	20	30		IDEDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncnc5[nH]cc(C#N)c54)CC3)C2=O)cs1	ZINC001164823321	720357728	/nfs/dbraw/zinc/35/77/28/720357728.db2.gz	DTGJEXKVOIAESI-UHFFFAOYSA-N	0	0	436.545	1.908	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncnc3ccc(C#N)cc31)C2	ZINC001164826234	720438313	/nfs/dbraw/zinc/43/83/13/720438313.db2.gz	VDIQBTKPGMQOBD-GOSISDBHSA-N	0	0	433.516	1.688	20	30		IDEDRN
C=CCOc1cc(C)nc(N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)n1	ZINC001164825363	720454608	/nfs/dbraw/zinc/45/46/08/720454608.db2.gz	ROVDKTWPFIRRKA-GOSISDBHSA-N	0	0	428.537	1.536	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2CN(CCOC)C(=O)[C@H]2C1	ZINC001164902283	721574310	/nfs/dbraw/zinc/57/43/10/721574310.db2.gz	JENKECKPGZKXNP-OCCSQVGLSA-N	0	0	442.850	1.869	20	30		IDEDRN
COc1nc(N2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)c(F)cc1C#N	ZINC001164923604	721831482	/nfs/dbraw/zinc/83/14/82/721831482.db2.gz	SOTOCBVOQUNIPC-HXUWFJFHSA-N	0	0	433.509	1.974	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)C1=O	ZINC001164642039	719275103	/nfs/dbraw/zinc/27/51/03/719275103.db2.gz	WETIEYVIEALMHG-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(c3ccc(C4(C#N)CCOCC4)cn3)CC2)C1=O	ZINC001164640150	719278593	/nfs/dbraw/zinc/27/85/93/719278593.db2.gz	NUOXPRNDDGLONI-UHFFFAOYSA-N	0	0	427.549	1.413	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)C1=O	ZINC001164644062	719284222	/nfs/dbraw/zinc/28/42/22/719284222.db2.gz	AVEXJRNOLZVZST-UHFFFAOYSA-N	0	0	438.488	1.774	20	30		IDEDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=NO	ZINC001164705843	719846685	/nfs/dbraw/zinc/84/66/85/719846685.db2.gz	WCSMKRXIPFTPAA-XIKOKIGWSA-N	0	0	443.957	1.893	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2	ZINC001164708924	719906558	/nfs/dbraw/zinc/90/65/58/719906558.db2.gz	NMRJILAWNVQANF-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2	ZINC001164708682	719908858	/nfs/dbraw/zinc/90/88/58/719908858.db2.gz	GVBKBKHZALWCRI-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3C#N)C2)C1	ZINC001164716354	720219500	/nfs/dbraw/zinc/21/95/00/720219500.db2.gz	CAKCLWAWSWBBCZ-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3c(C#N)cnc4cnc(Cl)cc43)C2)C1	ZINC001164719943	720223180	/nfs/dbraw/zinc/22/31/80/720223180.db2.gz	UUKMWCFDWFSDQT-OAQYLSRUSA-N	0	0	428.924	1.820	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@]2(C1)COCCN(CC(=O)NC)C2	ZINC001164717598	720231764	/nfs/dbraw/zinc/23/17/64/720231764.db2.gz	BQNLRVLKEKAGOF-OAQYLSRUSA-N	0	0	449.939	1.448	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001165011324	721722751	/nfs/dbraw/zinc/72/27/51/721722751.db2.gz	OWLGFZTVQQIGMT-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
Cc1nc(CN2CCOC[C@]3(CN(c4ncc5c(C#N)c[nH]c5n4)CCO3)C2)cs1	ZINC001164924403	721830826	/nfs/dbraw/zinc/83/08/26/721830826.db2.gz	VTQIKTKLBGSHPT-HXUWFJFHSA-N	0	0	425.518	1.702	20	30		IDEDRN
COCCN1CCO[C@@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@H]2C1=O	ZINC001164922506	721843473	/nfs/dbraw/zinc/84/34/73/721843473.db2.gz	QNXLQEGSUUYESN-IUODEOHRSA-N	0	0	444.866	1.860	20	30		IDEDRN
COc1cc(C(F)(F)N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164954510	721989067	/nfs/dbraw/zinc/98/90/67/721989067.db2.gz	WJWTVCAUDPRJCR-NEPJUHHUSA-N	0	0	449.911	1.725	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)C2)C1	ZINC001164722000	720271754	/nfs/dbraw/zinc/27/17/54/720271754.db2.gz	OESGTJYKGAFXLI-HSZRJFAPSA-N	0	0	442.564	1.603	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ncc([N+](=O)[O-])cc1C#N)C2	ZINC001164825600	720446825	/nfs/dbraw/zinc/44/68/25/720446825.db2.gz	SMMXHGRRUYCQRW-MRXNPFEDSA-N	0	0	427.465	1.048	20	30		IDEDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4ncc([N+](=O)[O-])cc4C#N)CCO3)C2)cs1	ZINC001164923535	721826669	/nfs/dbraw/zinc/82/66/69/721826669.db2.gz	JQOLWZCZZNIMDJ-IBGZPJMESA-N	0	0	430.490	1.734	20	30		IDEDRN
Cc1nc(CN2CCOC[C@]3(CN(c4ncc([N+](=O)[O-])cc4C#N)CCO3)C2)cs1	ZINC001164923537	721826814	/nfs/dbraw/zinc/82/68/14/721826814.db2.gz	JQOLWZCZZNIMDJ-LJQANCHMSA-N	0	0	430.490	1.734	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)C1=O	ZINC001164642149	719275545	/nfs/dbraw/zinc/27/55/45/719275545.db2.gz	XNBBFMKLSUALJD-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(c3nc(C#N)ccc3NC(=O)C(C)(C)C)CC2)C1=O	ZINC001164637864	719278296	/nfs/dbraw/zinc/27/82/96/719278296.db2.gz	AHZRQBOEDLAZCZ-UHFFFAOYSA-N	0	0	442.564	1.697	20	30		IDEDRN
CN1CCN(c2nccc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)n3)C4)n2)CC1	ZINC001164665450	719359174	/nfs/dbraw/zinc/35/91/74/719359174.db2.gz	XOASHTYPEOFYDR-DEOSSOPVSA-N	0	0	448.575	1.618	20	30		IDEDRN
N#Cc1ccc(N2C[C@]3(COCCN([C@@H](F)Oc4cncc(Cl)n4)C3)OCC2=O)cc1	ZINC001164694776	719783954	/nfs/dbraw/zinc/78/39/54/719783954.db2.gz	GSBIRIBLEGBGID-WOJBJXKFSA-N	0	0	447.854	1.768	20	30		IDEDRN
N#Cc1ccc(N2C[C@]3(COCCN([C@H](F)Oc4cncc(Cl)n4)C3)OCC2=O)cc1	ZINC001164694775	719784237	/nfs/dbraw/zinc/78/42/37/719784237.db2.gz	GSBIRIBLEGBGID-VQTJNVASSA-N	0	0	447.854	1.768	20	30		IDEDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C#N	ZINC001164703351	719837965	/nfs/dbraw/zinc/83/79/65/719837965.db2.gz	QTLLQRRRMXWKRG-KPZWWZAWSA-N	0	0	425.942	1.956	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1ccc(Cl)nc1C#N)CC2	ZINC001164705222	719903614	/nfs/dbraw/zinc/90/36/14/719903614.db2.gz	WPAMMDZWXRHHFI-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1nc(Cl)ccc1C#N)CC2	ZINC001164709670	719911562	/nfs/dbraw/zinc/91/15/62/719911562.db2.gz	ZPDJOHYEWAKBNF-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(-c3ccncc3)ccc1C#N)CC2	ZINC001164708755	719921184	/nfs/dbraw/zinc/92/11/84/719921184.db2.gz	ORNPOUIOCIQVOC-UHFFFAOYSA-N	0	0	442.527	1.699	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1ccnc(Cl)c1C#N)CC2	ZINC001164702461	719935970	/nfs/dbraw/zinc/93/59/70/719935970.db2.gz	GIJXUFWERLCRHA-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C#N)C2)C1	ZINC001164720895	720273481	/nfs/dbraw/zinc/27/34/81/720273481.db2.gz	FKSOOHOHOAFGMU-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164722739	720304270	/nfs/dbraw/zinc/30/42/70/720304270.db2.gz	LEYMXANAUPNPFR-JOCHJYFZSA-N	0	0	438.488	1.679	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(Cl)c(C#N)cc1C#N)C2	ZINC001164822679	720451948	/nfs/dbraw/zinc/45/19/48/720451948.db2.gz	GAXIYRZKXMKBQN-KRWDZBQOSA-N	0	0	441.923	1.664	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc3c(cc1C#N)COCC3)C2	ZINC001164834477	720477829	/nfs/dbraw/zinc/47/78/29/720477829.db2.gz	SLLNAKCXNYXVEW-IBGZPJMESA-N	0	0	438.532	1.212	20	30		IDEDRN
COc1cc(C(F)(F)N2CC[C@@H]3O[C@@H](C(=O)N4CCOCC4)C[C@@H]32)c(C#N)c(Cl)n1	ZINC001164798710	721595823	/nfs/dbraw/zinc/59/58/23/721595823.db2.gz	LBIRHMHTTJYKMQ-SOUVJXGZSA-N	0	0	442.850	1.755	20	30		IDEDRN
Cc1nc(CN2CCOC[C@]3(CN(c4nc(C#N)c(C#N)nc4Cl)CCO3)C2)cs1	ZINC001164924641	721828086	/nfs/dbraw/zinc/82/80/86/721828086.db2.gz	NHGVTNZMISUPDX-LJQANCHMSA-N	0	0	445.936	1.746	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCN(Cc2nc(OC)cc(OC)n2)CC1	ZINC001165030640	721846726	/nfs/dbraw/zinc/84/67/26/721846726.db2.gz	SFQMHWIMKUNMBE-UHFFFAOYSA-N	0	0	446.895	1.913	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC1)C(=O)N(CCOC)CCN2C	ZINC001164636737	719271434	/nfs/dbraw/zinc/27/14/34/719271434.db2.gz	WIMTZEDMAAZZLR-UHFFFAOYSA-N	0	0	449.939	1.543	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)C1=O	ZINC001164641178	719275638	/nfs/dbraw/zinc/27/56/38/719275638.db2.gz	STUJLUHAXYRDDJ-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
Cc1ccc([C@H](C#N)c2ccc(N3CCn4c(CN5CCOCC5)nnc4C3)nn2)cc1	ZINC001164676711	719569929	/nfs/dbraw/zinc/56/99/29/719569929.db2.gz	LKMPUDBOXZGKIT-IBGZPJMESA-N	0	0	430.516	1.884	20	30		IDEDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=NO	ZINC001164705842	719846828	/nfs/dbraw/zinc/84/68/28/719846828.db2.gz	WCSMKRXIPFTPAA-SGTLLEGYSA-N	0	0	443.957	1.893	20	30		IDEDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164700571	719865826	/nfs/dbraw/zinc/86/58/26/719865826.db2.gz	DYMODQIBMGSLFJ-KNQAVFIVSA-N	0	0	428.533	1.886	20	30		IDEDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc(C2(C#N)CCOCC2)cn1	ZINC001164700558	719866218	/nfs/dbraw/zinc/86/62/18/719866218.db2.gz	DYMODQIBMGSLFJ-DENIHFKCSA-N	0	0	428.533	1.886	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C#N)C2)C1	ZINC001164720508	720235627	/nfs/dbraw/zinc/23/56/27/720235627.db2.gz	XQUBIHJXZNHRHI-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3cc(C#N)cc(Cl)n3)C2)C1	ZINC001164720133	720255694	/nfs/dbraw/zinc/25/56/94/720255694.db2.gz	RRKMMZFGBSZRKU-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(Cl)c(C#N)cc1C#N)C2	ZINC001164822680	720451849	/nfs/dbraw/zinc/45/18/49/720451849.db2.gz	GAXIYRZKXMKBQN-QGZVFWFLSA-N	0	0	441.923	1.664	20	30		IDEDRN
C=CCNC(=O)c1cccnc1N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1	ZINC001164831811	720470832	/nfs/dbraw/zinc/47/08/32/720470832.db2.gz	RGSXTGZPVDLHJN-GOSISDBHSA-N	0	0	440.548	1.184	20	30		IDEDRN
COc1cc(C(F)(F)N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@H]32)c(C#N)c(Cl)n1	ZINC001164798698	721595795	/nfs/dbraw/zinc/59/57/95/721595795.db2.gz	LBIRHMHTTJYKMQ-ILXRZTDVSA-N	0	0	442.850	1.755	20	30		IDEDRN
C=CCN1CCN(c2nc3ccc(OC)cc3nc2O[C@H]2CN[C@@H](C(=O)OC)C2)CC1	ZINC001165031681	721866988	/nfs/dbraw/zinc/86/69/88/721866988.db2.gz	QCAJRFNOFCBFKI-VQIMIIECSA-N	0	0	427.505	1.229	20	30		IDEDRN
CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1	ZINC000030839620	259085331	/nfs/dbraw/zinc/08/53/31/259085331.db2.gz	OIRWTNGIAPZLHT-UHFFFAOYSA-N	0	0	441.517	1.267	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(c3c(C#N)cnc4cnc(Cl)cc43)CC2)C1=O	ZINC001164634690	719270103	/nfs/dbraw/zinc/27/01/03/719270103.db2.gz	LLQPAWWEJQBKDH-UHFFFAOYSA-N	0	0	428.924	1.914	20	30		IDEDRN
CCOC(=O)c1cc(C)nc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)c1C#N	ZINC001164697229	719847762	/nfs/dbraw/zinc/84/77/62/719847762.db2.gz	BYLNGXROIKNEBU-KSFYIVLOSA-N	0	0	430.505	1.671	20	30		IDEDRN
COc1cc(C(F)(F)N2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)c(C#N)c(Cl)n1	ZINC001164798701	721595806	/nfs/dbraw/zinc/59/58/06/721595806.db2.gz	LBIRHMHTTJYKMQ-KKUMJFAQSA-N	0	0	442.850	1.755	20	30		IDEDRN
C=CCN1CCN(c2ncnc3c2cc(C(=O)OC)n3S(=O)(=O)c2ccccc2)CC1	ZINC001165032116	721869730	/nfs/dbraw/zinc/86/97/30/721869730.db2.gz	IDYADKJJEOHBCD-UHFFFAOYSA-N	0	0	441.513	1.763	20	30		IDEDRN
CN1CCN(c2ncnc3c2CCN(c2ccc(C4(C#N)CCOCC4)cn2)CC3)CC1	ZINC001165001481	722236602	/nfs/dbraw/zinc/23/66/02/722236602.db2.gz	GNDIRUDJPJAGEI-UHFFFAOYSA-N	0	0	433.560	1.800	20	30		IDEDRN
N#C[C@H](c1ccc(N2CCn3c(CN4CCOCC4)nnc3C2)nn1)c1ccccc1F	ZINC001164678375	719581120	/nfs/dbraw/zinc/58/11/20/719581120.db2.gz	KVNWJJQRFWDYLB-KRWDZBQOSA-N	0	0	434.479	1.715	20	30		IDEDRN
N#Cc1ccc(N2C[C@@]3(COCCN([C@H](F)Oc4cncc(Cl)n4)C3)OCC2=O)cc1	ZINC001164694773	719783604	/nfs/dbraw/zinc/78/36/04/719783604.db2.gz	GSBIRIBLEGBGID-PMACEKPBSA-N	0	0	447.854	1.768	20	30		IDEDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C#N	ZINC001164703353	719837779	/nfs/dbraw/zinc/83/77/79/719837779.db2.gz	QTLLQRRRMXWKRG-SGTLLEGYSA-N	0	0	425.942	1.956	20	30		IDEDRN
CCOC(=O)c1cc(C)nc(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)c1C#N	ZINC001164697230	719847732	/nfs/dbraw/zinc/84/77/32/719847732.db2.gz	BYLNGXROIKNEBU-OPAMFIHVSA-N	0	0	430.505	1.671	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ncccc1C#C[Si](C)(C)C)CC2	ZINC001164709223	719916082	/nfs/dbraw/zinc/91/60/82/719916082.db2.gz	QXXBAQPZZWOGBA-UHFFFAOYSA-N	0	0	436.636	1.994	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1nc(C#N)c(Cl)cc1Cl)CC2	ZINC001164708787	719933759	/nfs/dbraw/zinc/93/37/59/719933759.db2.gz	QJAWYXLXTLWLEY-UHFFFAOYSA-N	0	0	434.331	1.944	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2	ZINC001164705282	719934366	/nfs/dbraw/zinc/93/43/66/719934366.db2.gz	XNTPITIIPRZMMR-UHFFFAOYSA-N	0	0	449.893	1.835	20	30		IDEDRN
CCOC(=O)c1cc(C)nc(N2CCC[C@@]3(C2)COCCN(CC(=O)NC)C3)c1C#N	ZINC001164720688	720232482	/nfs/dbraw/zinc/23/24/82/720232482.db2.gz	ZPZGTRCQMAGRMM-JOCHJYFZSA-N	0	0	429.521	1.103	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@]2(C1)COCCN(CC(=O)NC)C2	ZINC001164717594	720232972	/nfs/dbraw/zinc/23/29/72/720232972.db2.gz	BQNLRVLKEKAGOF-NRFANRHFSA-N	0	0	449.939	1.448	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C#N)c3)C2)C1	ZINC001164719031	720251769	/nfs/dbraw/zinc/25/17/69/720251769.db2.gz	KKYZVJYFOSOLGC-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3C#N)C2)C1	ZINC001164718095	720255731	/nfs/dbraw/zinc/25/57/31/720255731.db2.gz	CDMVOAQWVAUHDJ-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
Cc1nc(CN2CCN(C)C3(CCN(c4nc(C#N)ccc4[N+](=O)[O-])CC3)C2=O)cs1	ZINC001164821160	720370155	/nfs/dbraw/zinc/37/01/55/720370155.db2.gz	YKVRWJQHCZKZMM-UHFFFAOYSA-N	0	0	441.517	1.940	20	30		IDEDRN
Cc1nc(CN2CCN(C)C3(CCN(c4ncc5c(C#N)c[nH]c5n4)CC3)C2=O)cs1	ZINC001164819242	720376777	/nfs/dbraw/zinc/37/67/77/720376777.db2.gz	ALTIKLWVQMAFMM-UHFFFAOYSA-N	0	0	436.545	1.908	20	30		IDEDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(Cl)c(F)cc1C#N)C2	ZINC001164826201	720429964	/nfs/dbraw/zinc/42/99/64/720429964.db2.gz	OSQILSIBHQLJRX-OAHLLOKOSA-N	0	0	434.903	1.932	20	30		IDEDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(C#N)ccc1[N+](=O)[O-])C2	ZINC001164825633	720451493	/nfs/dbraw/zinc/45/14/93/720451493.db2.gz	SWIZMOWRQJZKIR-HNNXBMFYSA-N	0	0	427.465	1.048	20	30		IDEDRN
COCCN1CCO[C@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@@H]2C1=O	ZINC001164922508	721843596	/nfs/dbraw/zinc/84/35/96/721843596.db2.gz	QNXLQEGSUUYESN-WFASDCNBSA-N	0	0	444.866	1.860	20	30		IDEDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(C#N)c(C#N)nc1Cl)C2	ZINC001165006109	722264520	/nfs/dbraw/zinc/26/45/20/722264520.db2.gz	GMEJJIFIVUAUIY-FQEVSTJZSA-N	0	0	425.855	1.940	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)C1=O	ZINC001164635491	719271663	/nfs/dbraw/zinc/27/16/63/719271663.db2.gz	RPZFMDKUQAGXQH-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
N#C[C@@H](c1ccc(N2CCn3c(CN4CCOCC4)nnc3C2)nn1)c1ccccc1F	ZINC001164678379	719581362	/nfs/dbraw/zinc/58/13/62/719581362.db2.gz	KVNWJJQRFWDYLB-QGZVFWFLSA-N	0	0	434.479	1.715	20	30		IDEDRN
CCOC(=O)c1cc(C)nc(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)c1C#N	ZINC001164697231	719847591	/nfs/dbraw/zinc/84/75/91/719847591.db2.gz	BYLNGXROIKNEBU-ZHRRBRCNSA-N	0	0	430.505	1.671	20	30		IDEDRN
Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1ccc(C3(C#N)CCOCC3)cn1)CC2	ZINC001164708827	719920220	/nfs/dbraw/zinc/92/02/20/719920220.db2.gz	SVXWIAKHYNLAAR-UHFFFAOYSA-N	0	0	449.559	1.337	20	30		IDEDRN
COc1nc(N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)c(F)cc1C#N	ZINC001164828910	720468403	/nfs/dbraw/zinc/46/84/03/720468403.db2.gz	CFVQELABGHTCNP-INIZCTEOSA-N	0	0	430.484	1.287	20	30		IDEDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4nc(C#N)ccc4[N+](=O)[O-])CCO3)C2)cs1	ZINC001164924658	721827460	/nfs/dbraw/zinc/82/74/60/721827460.db2.gz	NKTIQDBPWULGAC-IBGZPJMESA-N	0	0	430.490	1.734	20	30		IDEDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4nc(C#N)c(C#N)nc4Cl)CCO3)C2)cs1	ZINC001164924618	721828030	/nfs/dbraw/zinc/82/80/30/721828030.db2.gz	NHGVTNZMISUPDX-IBGZPJMESA-N	0	0	445.936	1.746	20	30		IDEDRN
Cc1nc(CN2CCOC[C@@]3(CN(c4ncc5c(C#N)c[nH]c5n4)CCO3)C2)cs1	ZINC001164924395	721830776	/nfs/dbraw/zinc/83/07/76/721830776.db2.gz	VTQIKTKLBGSHPT-FQEVSTJZSA-N	0	0	425.518	1.702	20	30		IDEDRN
COCCN1CCO[C@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@H]2C1=O	ZINC001164922505	721843552	/nfs/dbraw/zinc/84/35/52/721843552.db2.gz	QNXLQEGSUUYESN-DOMZBBRYSA-N	0	0	444.866	1.860	20	30		IDEDRN
COc1cc(OC)nc(CN2CCN(c3nc(SC)nc(Cl)c3C=NO)CC2)n1	ZINC001165028852	721846696	/nfs/dbraw/zinc/84/66/96/721846696.db2.gz	DMJYFSSNVPTOQX-UHFFFAOYSA-N	0	0	439.929	1.789	20	30		IDEDRN
CCOC(=O)C[C@H]1C(=O)NCCN1C(F)(F)c1nc(Cl)c(C#N)cc1C(=O)OCC	ZINC001165034719	721875033	/nfs/dbraw/zinc/87/50/33/721875033.db2.gz	NYPYKQZRNOBBQH-LBPRGKRZSA-N	0	0	444.822	1.586	20	30		IDEDRN
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC1)COCC(=O)N2	ZINC001164423269	718934761	/nfs/dbraw/zinc/93/47/61/718934761.db2.gz	GFBCFBZTKZJFNY-UHFFFAOYSA-N	0	0	428.823	1.814	20	30		IDEDRN
COCCN1CCN(C)C2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)C1=O	ZINC001164633692	719269487	/nfs/dbraw/zinc/26/94/87/719269487.db2.gz	GUHRUKWMBWGZKO-UHFFFAOYSA-N	0	0	427.883	1.911	20	30		IDEDRN
N#Cc1ccc(N2C[C@@]3(COCCN([C@@H](F)Oc4ccc(Cl)nn4)C3)OCC2=O)cc1	ZINC001164694218	719785462	/nfs/dbraw/zinc/78/54/62/719785462.db2.gz	DFWADBWUYCTRHV-UXHICEINSA-N	0	0	447.854	1.768	20	30		IDEDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(SC)nc(Cl)c1C=NO	ZINC001164705841	719846761	/nfs/dbraw/zinc/84/67/61/719846761.db2.gz	WCSMKRXIPFTPAA-KZULUSFZSA-N	0	0	443.957	1.893	20	30		IDEDRN
CCOC(=O)c1cc(C)nc(N2CCC[C@]3(C2)COCCN(CC(=O)NC)C3)c1C#N	ZINC001164720689	720231572	/nfs/dbraw/zinc/23/15/72/720231572.db2.gz	ZPZGTRCQMAGRMM-QFIPXVFZSA-N	0	0	429.521	1.103	20	30		IDEDRN
CNC(=O)CN1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C2)C1	ZINC001164717508	720245808	/nfs/dbraw/zinc/24/58/08/720245808.db2.gz	ABKQZNDCDNXOAZ-GOSISDBHSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C#N)C2)C1	ZINC001164718685	720256060	/nfs/dbraw/zinc/25/60/60/720256060.db2.gz	GYRAFUZMJXBZSU-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CNC(=O)CN1CCOC[C@@]2(CCCN(C(F)(F)c3cc(C#N)cc(Cl)n3)C2)C1	ZINC001164720135	720256729	/nfs/dbraw/zinc/25/67/29/720256729.db2.gz	RRKMMZFGBSZRKU-SFHVURJKSA-N	0	0	427.883	1.816	20	30		IDEDRN
CN(C)C(=O)COCc1nnc2n1CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001165010592	721723638	/nfs/dbraw/zinc/72/36/38/721723638.db2.gz	JXXPHYTXDOIWKZ-UHFFFAOYSA-N	0	0	425.827	1.368	20	30		IDEDRN
COc1cc(C(F)(F)N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164954512	721988831	/nfs/dbraw/zinc/98/88/31/721988831.db2.gz	WJWTVCAUDPRJCR-RYUDHWBXSA-N	0	0	449.911	1.725	20	30		IDEDRN
COc1cc(C(F)(F)N2C[C@@H]3CCN(S(=O)(=O)N(C)C)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164954511	721988904	/nfs/dbraw/zinc/98/89/04/721988904.db2.gz	WJWTVCAUDPRJCR-NWDGAFQWSA-N	0	0	449.911	1.725	20	30		IDEDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nc(C#N)c(C#N)nc1Cl)C2	ZINC001165006110	722264530	/nfs/dbraw/zinc/26/45/30/722264530.db2.gz	GMEJJIFIVUAUIY-HXUWFJFHSA-N	0	0	425.855	1.940	20	30		IDEDRN