smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@@H]3O2)n1	ZINC001164632784	719262053	/nfs/dbraw/zinc/26/20/53/719262053.db2.gz	BDWISUMRBVKBLL-KKXDTOCCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(C)c1C#N)CC2	ZINC001164658167	719350280	/nfs/dbraw/zinc/35/02/80/719350280.db2.gz	FAEDWBDOXNGMJC-UHFFFAOYSA-N	0	0	447.974	4.005	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)cnc1Cl	ZINC001164736255	720540118	/nfs/dbraw/zinc/54/01/18/720540118.db2.gz	WXGXBQHRQVXONW-OXQOHEQNSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CCCC(=O)N4)CC3)cnc2Cl)c1	ZINC001164837376	720734610	/nfs/dbraw/zinc/73/46/10/720734610.db2.gz	INOUWDBTPDTVLF-UHFFFAOYSA-N	0	0	430.886	4.458	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)C2=O)c1	ZINC001164851487	720806807	/nfs/dbraw/zinc/80/68/07/720806807.db2.gz	LMTCAQCOOGMITC-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cnc(Cl)cc2C#N)CCO3)c1	ZINC001164775553	721304797	/nfs/dbraw/zinc/30/47/97/721304797.db2.gz	ZPYYNQADUQOZJV-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164781256	721384810	/nfs/dbraw/zinc/38/48/10/721384810.db2.gz	IRMVDJXQHWCIRK-RXVVDRJESA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1	ZINC001164804785	721603734	/nfs/dbraw/zinc/60/37/34/721603734.db2.gz	ZFKITNPMCUDGAV-KRWDZBQOSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1	ZINC001164915954	721804779	/nfs/dbraw/zinc/80/47/79/721804779.db2.gz	MURRHRHMVIQOPW-ACJLOTCBSA-N	0	0	441.265	4.017	20	30		IIEDRN
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)cc2c1Cl	ZINC001165043548	721926675	/nfs/dbraw/zinc/92/66/75/721926675.db2.gz	LISCAGQXYJQRPJ-AWEZNQCLSA-N	0	0	441.309	4.259	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@@H]21	ZINC001164954109	722004407	/nfs/dbraw/zinc/00/44/07/722004407.db2.gz	WALOXFGXYZUNLN-GOEBONIOSA-N	0	0	425.870	4.328	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)C2	ZINC001164950692	722006323	/nfs/dbraw/zinc/00/63/23/722006323.db2.gz	FHEDJIZOESGNMJ-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1Cl	ZINC001164982474	722163704	/nfs/dbraw/zinc/16/37/04/722163704.db2.gz	VTGIZPXQGQWNQB-XLIONFOSSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccc(Cl)nc4)C3)C2)c1	ZINC001165004383	722258108	/nfs/dbraw/zinc/25/81/08/722258108.db2.gz	QRDUKVALTIAKSS-OAQYLSRUSA-N	0	0	432.902	4.275	20	30		IIEDRN
N#Cc1ccccc1COc1cccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1	ZINC000426675297	1126081495	/nfs/dbraw/zinc/08/14/95/1126081495.db2.gz	QWBFBEQYBNYYOZ-VWLOTQADSA-N	0	0	425.488	4.404	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@H]3O2)n1	ZINC001164640285	719260165	/nfs/dbraw/zinc/26/01/65/719260165.db2.gz	SKSCQMNYTDLIKH-DOPJRALCSA-N	0	0	433.890	4.421	20	30		IIEDRN
N#Cc1ccc(-c2ccncc2)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1	ZINC001164673968	719520767	/nfs/dbraw/zinc/52/07/67/719520767.db2.gz	WCUBKBXFIZRODW-UHFFFAOYSA-N	0	0	443.526	4.026	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@H]2CC	ZINC001164701115	719821868	/nfs/dbraw/zinc/82/18/68/719821868.db2.gz	OCDQVIJJBRBDON-MAUKXSAKSA-N	0	0	428.867	4.114	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@H]2CC	ZINC001164703213	719822615	/nfs/dbraw/zinc/82/26/15/719822615.db2.gz	USHCFMKRHQCWGU-JXFKEZNVSA-N	0	0	435.906	4.149	20	30		IIEDRN
CC[C@H]1N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CCC[C@@]12CCC(=O)N2	ZINC001164844335	720759170	/nfs/dbraw/zinc/75/91/70/720759170.db2.gz	BMKOWDZFBHKVOU-WIYYLYMNSA-N	0	0	445.901	4.241	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)C2=O)c1	ZINC001164851485	720807043	/nfs/dbraw/zinc/80/70/43/720807043.db2.gz	LMTCAQCOOGMITC-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)C2=O)c1	ZINC001164851965	720807605	/nfs/dbraw/zinc/80/76/05/720807605.db2.gz	MCCGHOLEQDJIOQ-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1	ZINC001164767798	721270597	/nfs/dbraw/zinc/27/05/97/721270597.db2.gz	SYAXRQDGKSHTCU-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)cc(Cl)n1	ZINC001164780395	721384422	/nfs/dbraw/zinc/38/44/22/721384422.db2.gz	GTLBMBQUPDYJQC-UWJYYQICSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164781254	721384894	/nfs/dbraw/zinc/38/48/94/721384894.db2.gz	IRMVDJXQHWCIRK-GHTZIAJQSA-N	0	0	448.901	4.139	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@@H]21	ZINC001164954036	722004097	/nfs/dbraw/zinc/00/40/97/722004097.db2.gz	VCXPLBZMRXIRSJ-LSDHHAIUSA-N	0	0	425.870	4.328	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@@H]21	ZINC001164950498	722004528	/nfs/dbraw/zinc/00/45/28/722004528.db2.gz	CQPQFVYYMXYONE-JKSUJKDBSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)c1	ZINC001164979264	722164955	/nfs/dbraw/zinc/16/49/55/722164955.db2.gz	JNMGAOACVHXSNQ-PXNSSMCTSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164976536	722165421	/nfs/dbraw/zinc/16/54/21/722165421.db2.gz	BZNBNSLBIHIJJO-PXNSSMCTSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CCO2	ZINC001164976226	722166542	/nfs/dbraw/zinc/16/65/42/722166542.db2.gz	KMWGUHNOHYEWJY-FZKQIMNGSA-N	0	0	432.298	4.383	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)c2cc(C)ccc21	ZINC001164988031	722189670	/nfs/dbraw/zinc/18/96/70/722189670.db2.gz	DEVCQSOWUSMTCU-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
N#Cc1cccc(COc2cccc(C[NH2+][C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c2)c1	ZINC000426674872	1126081513	/nfs/dbraw/zinc/08/15/13/1126081513.db2.gz	NGMIDWZKXZRCMA-RUZDIDTESA-N	0	0	425.488	4.404	20	30		IIEDRN
COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(OCc2ccccc2)=CC(=O)C[C@H]1C	ZINC000040424135	563102873	/nfs/dbraw/zinc/10/28/73/563102873.db2.gz	LAWAOYZSUFCPKY-ZLOXQWCVSA-N	0	0	428.868	4.381	20	30	in-vivo	IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@H]3O2)n1	ZINC001164634420	719260085	/nfs/dbraw/zinc/26/00/85/719260085.db2.gz	GFKNPFHXOMEHES-RRQGHBQHSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@@H]3O2)n1	ZINC001164634416	719260118	/nfs/dbraw/zinc/26/01/18/719260118.db2.gz	GFKNPFHXOMEHES-JQFCIGGWSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@@H]3O2)n1	ZINC001164633404	719261365	/nfs/dbraw/zinc/26/13/65/719261365.db2.gz	CLVXQAPWSLEZFU-KKXDTOCCSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@H]2CC	ZINC001164703215	719822502	/nfs/dbraw/zinc/82/25/02/719822502.db2.gz	USHCFMKRHQCWGU-OXJNMPFZSA-N	0	0	435.906	4.149	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@H]3Cc3ccccc3)c(Cl)nn2)cc1	ZINC001164834503	720495418	/nfs/dbraw/zinc/49/54/18/720495418.db2.gz	STSKACFIJPVJAI-RTWAWAEBSA-N	0	0	440.881	4.396	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164735282	720539581	/nfs/dbraw/zinc/53/95/81/720539581.db2.gz	NUSSRGBBROCHFV-OXJNMPFZSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164736428	720539672	/nfs/dbraw/zinc/53/96/72/720539672.db2.gz	YCRISPSCOSIFFF-UZLBHIALSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)C2=O)c1	ZINC001164848067	720806774	/nfs/dbraw/zinc/80/67/74/720806774.db2.gz	CABADTOQJNCCPS-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H]1CC(=O)N2c1ccsc1	ZINC001164883228	721353763	/nfs/dbraw/zinc/35/37/63/721353763.db2.gz	OJJSZLVTJFCVPB-CHWSQXEVSA-N	0	0	429.279	4.251	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1Cl	ZINC001164784613	721382801	/nfs/dbraw/zinc/38/28/01/721382801.db2.gz	QVKGRPBNZWRFGE-WIYYLYMNSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)cc(Cl)n1	ZINC001164780394	721384298	/nfs/dbraw/zinc/38/42/98/721384298.db2.gz	GTLBMBQUPDYJQC-UTKZUKDTSA-N	0	0	448.901	4.139	20	30		IIEDRN
COc1cc(C(F)(F)N2C[C@@H]3CCC[C@]3(COc3ccccn3)C2)c(C#N)c(Cl)n1	ZINC001164795743	721506084	/nfs/dbraw/zinc/50/60/84/721506084.db2.gz	MRKUNDQXLQAXFR-VBKZILBWSA-N	0	0	434.874	4.241	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@@H]2CCCO[C@H]12	ZINC001164809376	721575020	/nfs/dbraw/zinc/57/50/20/721575020.db2.gz	WQIXBJMQMUKPIT-XPNTWCBSSA-N	0	0	433.943	4.023	20	30		IIEDRN
Cc1ccc2nc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)c(C#N)c(Cl)c2c1	ZINC001164806895	721592068	/nfs/dbraw/zinc/59/20/68/721592068.db2.gz	NNHACWSQZLUOCQ-WPFOTENUSA-N	0	0	447.970	4.332	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)cnc1Cl	ZINC001164804165	721603854	/nfs/dbraw/zinc/60/38/54/721603854.db2.gz	XORNDAFPHHGZDY-SFHVURJKSA-N	0	0	448.901	4.249	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164910938	721759379	/nfs/dbraw/zinc/75/93/79/721759379.db2.gz	USCJUIZJJKFZHE-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)cnc2Cl)cc1	ZINC001165014159	721764971	/nfs/dbraw/zinc/76/49/71/721764971.db2.gz	DVJJGKXSZLORJZ-HBMCJLEFSA-N	0	0	445.897	4.449	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@H]21	ZINC001164953214	722004298	/nfs/dbraw/zinc/00/42/98/722004298.db2.gz	QJPQPTNTZYJRQG-YOEHRIQHSA-N	0	0	425.870	4.328	20	30		IIEDRN
CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@H]21	ZINC001164957766	722040173	/nfs/dbraw/zinc/04/01/73/722040173.db2.gz	CAPXUSVOYMCKND-BWTSREIZSA-N	0	0	430.886	4.025	20	30		IIEDRN
N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccnc(Cl)c4)C3)C2)c1	ZINC001165003462	722258510	/nfs/dbraw/zinc/25/85/10/722258510.db2.gz	DPRYPOSHKQMPQL-NRFANRHFSA-N	0	0	432.902	4.275	20	30		IIEDRN
COc1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@H]32)c(C#N)c(Cl)n1	ZINC001164662588	719343422	/nfs/dbraw/zinc/34/34/22/719343422.db2.gz	QBRCDVLVJRCFHP-LMMKCTJWSA-N	0	0	441.906	4.103	20	30		IIEDRN
COc1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(C#N)c(Cl)n1	ZINC001164662590	719343502	/nfs/dbraw/zinc/34/35/02/719343502.db2.gz	QBRCDVLVJRCFHP-SCTDSRPQSA-N	0	0	441.906	4.103	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)[C@@H]2CC	ZINC001164699530	719822945	/nfs/dbraw/zinc/82/29/45/719822945.db2.gz	HANLIRPZKNROMY-OXQOHEQNSA-N	0	0	435.906	4.149	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)c1	ZINC001164736421	720539333	/nfs/dbraw/zinc/53/93/33/720539333.db2.gz	YCQBFOFTKBOOLO-JXFKEZNVSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164736600	720539558	/nfs/dbraw/zinc/53/95/58/720539558.db2.gz	ZYGCUAAGOLNWTI-OXJNMPFZSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(Cl)nc(C#N)c2)CCO3)c1	ZINC001164774637	721304521	/nfs/dbraw/zinc/30/45/21/721304521.db2.gz	FQRKVULQDLFTTR-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1	ZINC001164776219	721315377	/nfs/dbraw/zinc/31/53/77/721315377.db2.gz	CPZXGZMKXAGKGC-UHFFFAOYSA-N	0	0	429.833	4.353	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164783018	721384910	/nfs/dbraw/zinc/38/49/10/721384910.db2.gz	MUNDHBCOZBTULK-WIYYLYMNSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1	ZINC001164798843	721603582	/nfs/dbraw/zinc/60/35/82/721603582.db2.gz	JHISLLMPDKKNJL-INIZCTEOSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1	ZINC001164915958	721804635	/nfs/dbraw/zinc/80/46/35/721804635.db2.gz	MURRHRHMVIQOPW-UGSOOPFHSA-N	0	0	441.265	4.017	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]21	ZINC001164952189	722003506	/nfs/dbraw/zinc/00/35/06/722003506.db2.gz	LBAPUDZRGMSZPD-HOTGVXAUSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164979973	722164190	/nfs/dbraw/zinc/16/41/90/722164190.db2.gz	MLFDNMXRGJHMGA-JXFKEZNVSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)cnc1Cl	ZINC001164978377	722165020	/nfs/dbraw/zinc/16/50/20/722165020.db2.gz	HMKYMKRIUDBAFR-ICSRJNTNSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164976507	722165388	/nfs/dbraw/zinc/16/53/88/722165388.db2.gz	BZNBNSLBIHIJJO-FXAWDEMLSA-N	0	0	425.907	4.486	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)c2cc(C)ccc21	ZINC001164987858	722189679	/nfs/dbraw/zinc/18/96/79/722189679.db2.gz	BVVQAYRHMCRLNM-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
COc1cc(C(F)(F)N2CCC(n3c4ccccc4[nH]c3=O)CC2)c(C#N)c(Cl)n1	ZINC001164621575	719127892	/nfs/dbraw/zinc/12/78/92/719127892.db2.gz	MSEDMYBDUIPGPG-UHFFFAOYSA-N	0	0	433.846	4.057	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@H]3O2)n1	ZINC001164641882	719261400	/nfs/dbraw/zinc/26/14/00/719261400.db2.gz	XNWSXHPEBOMIHS-DOPJRALCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@H]3O2)n1	ZINC001164632782	719262127	/nfs/dbraw/zinc/26/21/27/719262127.db2.gz	BDWISUMRBVKBLL-JEBQAFNWSA-N	0	0	433.890	4.421	20	30		IIEDRN
COc1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCC2CCCC2)c(C#N)c(Cl)n1	ZINC001164662587	719343484	/nfs/dbraw/zinc/34/34/84/719343484.db2.gz	QBRCDVLVJRCFHP-AOIWGVFYSA-N	0	0	441.906	4.103	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C#N)cc(Cl)n1)CC2	ZINC001164663181	719345142	/nfs/dbraw/zinc/34/51/42/719345142.db2.gz	VQORKCVFNNLHAD-UHFFFAOYSA-N	0	0	432.959	4.301	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccc(C#N)cc31)CC2	ZINC001164662941	719347410	/nfs/dbraw/zinc/34/74/10/719347410.db2.gz	BHJWXXLDDAYVQN-UHFFFAOYSA-N	0	0	449.562	4.196	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2	ZINC001164659964	719353316	/nfs/dbraw/zinc/35/33/16/719353316.db2.gz	SYSQUFHIGNHFNU-UHFFFAOYSA-N	0	0	437.551	4.129	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(CC#N)c(C)n1)CC2	ZINC001164659509	719354799	/nfs/dbraw/zinc/35/47/99/719354799.db2.gz	PRGUDQSUGPZQDK-UHFFFAOYSA-N	0	0	426.568	4.151	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@H]2CC	ZINC001164698001	719821742	/nfs/dbraw/zinc/82/17/42/719821742.db2.gz	CPCIEHBUVOBJTP-MAUKXSAKSA-N	0	0	428.867	4.114	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@@H]2CC	ZINC001164703218	719822480	/nfs/dbraw/zinc/82/24/80/719822480.db2.gz	USHCFMKRHQCWGU-UZLBHIALSA-N	0	0	435.906	4.149	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)[C@@H]2CC	ZINC001164699162	719823128	/nfs/dbraw/zinc/82/31/28/719823128.db2.gz	GMHUOBSGMOHIAV-UZLBHIALSA-N	0	0	438.906	4.086	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@@H]3Cc3ccccc3)c(Cl)nn2)c1	ZINC001164833209	720494858	/nfs/dbraw/zinc/49/48/58/720494858.db2.gz	NMJIGDXQBUNPIV-LEWJYISDSA-N	0	0	440.881	4.396	20	30		IIEDRN
CC[C@H]1N(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)CCC[C@@]12CCC(=O)N2	ZINC001164849512	720758908	/nfs/dbraw/zinc/75/89/08/720758908.db2.gz	SXRQPZMLGBCJFB-WIYYLYMNSA-N	0	0	445.901	4.241	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C3)C2=O)c1	ZINC001164848674	720807422	/nfs/dbraw/zinc/80/74/22/720807422.db2.gz	DMYCTSZZOYAQQW-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C3)C2=O)c1	ZINC001164848678	720807645	/nfs/dbraw/zinc/80/76/45/720807645.db2.gz	DMYCTSZZOYAQQW-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cc(C#N)cc(Cl)n2)CCO3)c1	ZINC001164775507	721304415	/nfs/dbraw/zinc/30/44/15/721304415.db2.gz	YDEFPGXBENINIV-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164788403	721383404	/nfs/dbraw/zinc/38/34/04/721383404.db2.gz	YXEGVCILZMIJGT-UTKZUKDTSA-N	0	0	448.901	4.139	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164907840	721750881	/nfs/dbraw/zinc/75/08/81/721750881.db2.gz	BRDGAOOZKXIBBI-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)c(Cl)cc1C#N)C2	ZINC001164911719	721754611	/nfs/dbraw/zinc/75/46/11/721754611.db2.gz	XTJCHEDDZAPQDR-UHFFFAOYSA-N	0	0	428.323	4.443	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2	ZINC001164909051	721755408	/nfs/dbraw/zinc/75/54/08/721755408.db2.gz	DWJANNBODURLFF-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
COC(=O)CCN(Cc1ccco1)C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl	ZINC001165048618	721983116	/nfs/dbraw/zinc/98/31/16/721983116.db2.gz	ZVOYYRRVTHOBDB-UHFFFAOYSA-N	0	0	446.841	4.376	20	30		IIEDRN
COC[C@@]12COC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164952238	721997221	/nfs/dbraw/zinc/99/72/21/721997221.db2.gz	QSFZCXJAOGJDAA-SGTLLEGYSA-N	0	0	428.266	4.057	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@@H]21	ZINC001164952193	722003454	/nfs/dbraw/zinc/00/34/54/722003454.db2.gz	LBAPUDZRGMSZPD-JKSUJKDBSA-N	0	0	425.870	4.328	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)c2cc(C)ccc21	ZINC001164989353	722189716	/nfs/dbraw/zinc/18/97/16/722189716.db2.gz	CLTQLSLHHXLWML-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C#N)cc1Cl)CC2	ZINC001164664478	719346044	/nfs/dbraw/zinc/34/60/44/719346044.db2.gz	VIGBIHGWBFPNCW-UHFFFAOYSA-N	0	0	432.959	4.301	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)ncc1C#N)CC2	ZINC001164663115	719346447	/nfs/dbraw/zinc/34/64/47/719346447.db2.gz	DGBABINGNYYCPE-UHFFFAOYSA-N	0	0	432.959	4.301	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)cc(C#N)n1)CC2	ZINC001164663858	719349152	/nfs/dbraw/zinc/34/91/52/719349152.db2.gz	NVOZPISLJYLTQX-UHFFFAOYSA-N	0	0	432.959	4.301	20	30		IIEDRN
COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2	ZINC001164851715	720829706	/nfs/dbraw/zinc/82/97/06/720829706.db2.gz	YLNXAYXDVFNFSO-CTNGQTDRSA-N	0	0	448.901	4.235	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1	ZINC001164768511	721270399	/nfs/dbraw/zinc/27/03/99/721270399.db2.gz	VHEYIWZDGBPRJU-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2nc(Cl)ccc2C#N)CCO3)c1	ZINC001164775113	721304618	/nfs/dbraw/zinc/30/46/18/721304618.db2.gz	PWJNVQQCCUBEKK-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164781258	721384793	/nfs/dbraw/zinc/38/47/93/721384793.db2.gz	IRMVDJXQHWCIRK-WIYYLYMNSA-N	0	0	448.901	4.139	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccc(-c3ccc(Cl)nn3)cc1)CC2	ZINC001164789330	721447053	/nfs/dbraw/zinc/44/70/53/721447053.db2.gz	UUGPCOTXERLQHM-UHFFFAOYSA-N	0	0	445.901	4.341	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164802325	721531312	/nfs/dbraw/zinc/53/13/12/721531312.db2.gz	GADMIKUIHYMHLX-UBFVSLLYSA-N	0	0	443.526	4.023	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(-c3ccncc3)ccc1C#N)C2	ZINC001164912303	721759787	/nfs/dbraw/zinc/75/97/87/721759787.db2.gz	XVMDBHTVWOHIDI-UHFFFAOYSA-N	0	0	436.519	4.198	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2	ZINC001164953468	722006275	/nfs/dbraw/zinc/00/62/75/722006275.db2.gz	QURASVZSNIDQLN-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CCO2	ZINC001164976228	722166666	/nfs/dbraw/zinc/16/66/66/722166666.db2.gz	KMWGUHNOHYEWJY-SCLBCKFNSA-N	0	0	432.298	4.383	20	30		IIEDRN
C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CCO2	ZINC001164974712	722167523	/nfs/dbraw/zinc/16/75/23/722167523.db2.gz	GWGCFHVXDKHGCR-ACJLOTCBSA-N	0	0	429.920	4.468	20	30		IIEDRN
COc1cc(C(F)(F)N2CCC3(CC(=O)c4ccc(F)cc43)CC2)c(C#N)c(Cl)n1	ZINC001164425922	718937295	/nfs/dbraw/zinc/93/72/95/718937295.db2.gz	YOYVRDZKKYAHPV-UHFFFAOYSA-N	0	0	435.833	4.424	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164736426	720539285	/nfs/dbraw/zinc/53/92/85/720539285.db2.gz	YCRISPSCOSIFFF-OXJNMPFZSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)C2=O)c1	ZINC001164850055	720807352	/nfs/dbraw/zinc/80/73/52/720807352.db2.gz	IBEPUITVCGDGEK-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1	ZINC001164763567	721269604	/nfs/dbraw/zinc/26/96/04/721269604.db2.gz	CQCUZMFZGJBNRB-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(Cl)ncc2C#N)CCO3)c1	ZINC001164774728	721304398	/nfs/dbraw/zinc/30/43/98/721304398.db2.gz	JFGAYKMNNFHJFO-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@H]2CCCO[C@@H]12	ZINC001164802321	721531024	/nfs/dbraw/zinc/53/10/24/721531024.db2.gz	GADMIKUIHYMHLX-ISJGIBHGSA-N	0	0	443.526	4.023	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164910684	721755705	/nfs/dbraw/zinc/75/57/05/721755705.db2.gz	PWJGXCSGOAOPMM-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@@H]43)cnc2Cl)cc1	ZINC001165014157	721765021	/nfs/dbraw/zinc/76/50/21/721765021.db2.gz	DVJJGKXSZLORJZ-ACRUOGEOSA-N	0	0	445.897	4.449	20	30		IIEDRN
COC[C@]12COC[C@@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164952236	721997284	/nfs/dbraw/zinc/99/72/84/721997284.db2.gz	QSFZCXJAOGJDAA-KPZWWZAWSA-N	0	0	428.266	4.057	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@H]21	ZINC001164954115	722004210	/nfs/dbraw/zinc/00/42/10/722004210.db2.gz	WALOXFGXYZUNLN-ZBFHGGJFSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)cnc1Cl	ZINC001164978380	722164988	/nfs/dbraw/zinc/16/49/88/722164988.db2.gz	HMKYMKRIUDBAFR-QUCCMNQESA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)cnc1Cl	ZINC001164978383	722165109	/nfs/dbraw/zinc/16/51/09/722165109.db2.gz	HMKYMKRIUDBAFR-UYAOXDASSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164983230	722165125	/nfs/dbraw/zinc/16/51/25/722165125.db2.gz	ZKSKTWPBWJNKGG-YLJYHZDGSA-N	0	0	425.907	4.486	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)c2cc(C)ccc21	ZINC001164990617	722189509	/nfs/dbraw/zinc/18/95/09/722189509.db2.gz	LSQIGEHSIWQTSA-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
C=C(C)COc1cc(C[NH2+][C@@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC	ZINC000426756319	1126087925	/nfs/dbraw/zinc/08/79/25/1126087925.db2.gz	JGOIIGKJOLCAQW-SFHVURJKSA-N	0	0	434.330	4.198	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cnc(Cl)cc2C#N)CCO3)c1	ZINC001164775552	721305126	/nfs/dbraw/zinc/30/51/26/721305126.db2.gz	ZPYYNQADUQOZJV-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164784559	721385472	/nfs/dbraw/zinc/38/54/72/721385472.db2.gz	QDVSSZYBWAGOLL-RXVVDRJESA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1	ZINC001164803325	721603649	/nfs/dbraw/zinc/60/36/49/721603649.db2.gz	VPZNDSYPAHKJAL-MRXNPFEDSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCN(CCOc2ccccc2)CC1	ZINC001165042396	721953018	/nfs/dbraw/zinc/95/30/18/721953018.db2.gz	NDYBCJHLMNXCMO-UHFFFAOYSA-N	0	0	427.282	4.006	20	30		IIEDRN
CC(C)(C)OC(=O)[C@@H]1CCCN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)C1	ZINC001165050782	721993656	/nfs/dbraw/zinc/99/36/56/721993656.db2.gz	AWSQXLFKXXOBKI-SECBINFHSA-N	0	0	440.800	4.123	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]21	ZINC001164951229	722004288	/nfs/dbraw/zinc/00/42/88/722004288.db2.gz	HLVJAEPFJTYPCR-HOTGVXAUSA-N	0	0	425.870	4.328	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2	ZINC001164954142	722006262	/nfs/dbraw/zinc/00/62/62/722006262.db2.gz	WGWATVFCNSRNAZ-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@@H]3O2)n1	ZINC001164641884	719261321	/nfs/dbraw/zinc/26/13/21/719261321.db2.gz	XNWSXHPEBOMIHS-KKXDTOCCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]3O2)n1	ZINC001164638707	719261328	/nfs/dbraw/zinc/26/13/28/719261328.db2.gz	OTMMXEQLFXHSBA-BVGQSLNGSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@H]3O2)n1	ZINC001164638713	719261349	/nfs/dbraw/zinc/26/13/49/719261349.db2.gz	OTMMXEQLFXHSBA-JEBQAFNWSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]3O2)n1	ZINC001164638716	719261398	/nfs/dbraw/zinc/26/13/98/719261398.db2.gz	OTMMXEQLFXHSBA-KKXDTOCCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(Cl)ccc4C#N)C[C@@H]3O2)n1	ZINC001164640227	719261404	/nfs/dbraw/zinc/26/14/04/719261404.db2.gz	RQWGOJNSNNQILM-COXVUDFISA-N	0	0	433.890	4.421	20	30		IIEDRN
Cc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c(C#N)c(C)c1Cl	ZINC001164667243	719494992	/nfs/dbraw/zinc/49/49/92/719494992.db2.gz	IZEXANAVEBCEMF-UHFFFAOYSA-N	0	0	428.939	4.234	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@H]2CC	ZINC001164702017	719820741	/nfs/dbraw/zinc/82/07/41/719820741.db2.gz	QLQPZPUXGSDEDG-YJBOKZPZSA-N	0	0	428.867	4.114	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@@H]2CC	ZINC001164697999	719821679	/nfs/dbraw/zinc/82/16/79/719821679.db2.gz	CPCIEHBUVOBJTP-CRAIPNDOSA-N	0	0	428.867	4.114	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@@H]3Cc3ccccc3)c(Cl)nn2)cc1	ZINC001164834504	720495497	/nfs/dbraw/zinc/49/54/97/720495497.db2.gz	STSKACFIJPVJAI-SFTDATJTSA-N	0	0	440.881	4.396	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)c1	ZINC001164736422	720539651	/nfs/dbraw/zinc/53/96/51/720539651.db2.gz	YCQBFOFTKBOOLO-OXJNMPFZSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CCCC(=O)N4)CC3)cnc2Cl)cc1	ZINC001164837906	720734708	/nfs/dbraw/zinc/73/47/08/720734708.db2.gz	OKBIADFVOACPSC-UHFFFAOYSA-N	0	0	430.886	4.458	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cc(Cl)ncc2C#N)CCO3)c1	ZINC001164774729	721304544	/nfs/dbraw/zinc/30/45/44/721304544.db2.gz	JFGAYKMNNFHJFO-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
CN(C)C1=NOC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CC2	ZINC001164874819	721327584	/nfs/dbraw/zinc/32/75/84/721327584.db2.gz	JODLMIWKYAMIOM-UHFFFAOYSA-N	0	0	445.901	4.453	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)CC2	ZINC001164781033	721446038	/nfs/dbraw/zinc/44/60/38/721446038.db2.gz	FJKZYUHDNHTKKV-UHFFFAOYSA-N	0	0	445.901	4.341	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(-c3ccccc3)nnc1Cl)CC2	ZINC001164790395	721446966	/nfs/dbraw/zinc/44/69/66/721446966.db2.gz	YSPBGOHFBOLCGI-UHFFFAOYSA-N	0	0	445.901	4.341	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1	ZINC001164915956	721804538	/nfs/dbraw/zinc/80/45/38/721804538.db2.gz	MURRHRHMVIQOPW-FZKQIMNGSA-N	0	0	441.265	4.017	20	30		IIEDRN
Cc1cnc2n1CCN(C)C21CCN(c2c(C#N)c(Cl)nc3cccc(Cl)c32)CC1	ZINC001164918163	721822223	/nfs/dbraw/zinc/82/22/23/721822223.db2.gz	CIHMSUOJELXNBT-UHFFFAOYSA-N	0	0	441.366	4.359	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164980622	722164565	/nfs/dbraw/zinc/16/45/65/722164565.db2.gz	OAMVSOBHFZMPSV-OXQOHEQNSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCn1c2nn(CN(C)Cc3cccc(Cl)c3)c(=S)n2c2ccccc2c1=O	ZINC000012555176	519272422	/nfs/dbraw/zinc/27/24/22/519272422.db2.gz	YLRFFKINCZEZPF-UHFFFAOYSA-N	0	0	425.945	4.109	20	30		IIEDRN
N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000003372200	562934954	/nfs/dbraw/zinc/93/49/54/562934954.db2.gz	NWACIUMSDBBKEC-UHFFFAOYSA-N	0	0	440.257	4.387	20	30	aggregator	IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@H]3O2)n1	ZINC001164636579	719260927	/nfs/dbraw/zinc/26/09/27/719260927.db2.gz	JGHASYJQMJCCHE-JEBQAFNWSA-N	0	0	433.890	4.421	20	30		IIEDRN
N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1	ZINC001164679147	719529748	/nfs/dbraw/zinc/52/97/48/719529748.db2.gz	ULKLJEXBWYLVHS-UHFFFAOYSA-N	0	0	435.330	4.271	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(SC)n1)[C@@H]2CC	ZINC001164699662	719820854	/nfs/dbraw/zinc/82/08/54/719820854.db2.gz	HRXSNCCRZDDQAP-KDOFPFPSSA-N	0	0	430.952	4.323	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@@H]2CC	ZINC001164701113	719821744	/nfs/dbraw/zinc/82/17/44/719821744.db2.gz	OCDQVIJJBRBDON-CRAIPNDOSA-N	0	0	428.867	4.114	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164735284	720540058	/nfs/dbraw/zinc/54/00/58/720540058.db2.gz	NUSSRGBBROCHFV-UZLBHIALSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)C2=O)c1	ZINC001164848066	720807005	/nfs/dbraw/zinc/80/70/05/720807005.db2.gz	CABADTOQJNCCPS-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)C2=O)c1	ZINC001164855672	720807309	/nfs/dbraw/zinc/80/73/09/720807309.db2.gz	XVEWGGLRSAPEEH-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)C2=O)c1	ZINC001164856171	720807640	/nfs/dbraw/zinc/80/76/40/720807640.db2.gz	ZGCZWSGTTCMLRW-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)cnc1Cl	ZINC001164765394	721270475	/nfs/dbraw/zinc/27/04/75/721270475.db2.gz	KUETYKAJDXXVSA-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2nc(Cl)ccc2C#N)CCO3)c1	ZINC001164775112	721304468	/nfs/dbraw/zinc/30/44/68/721304468.db2.gz	PWJNVQQCCUBEKK-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164783015	721384869	/nfs/dbraw/zinc/38/48/69/721384869.db2.gz	MUNDHBCOZBTULK-RXVVDRJESA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)cnc1Cl	ZINC001164780417	721384925	/nfs/dbraw/zinc/38/49/25/721384925.db2.gz	HEOBPRITTRIEIV-GHTZIAJQSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)cnc1Cl	ZINC001164780419	721384934	/nfs/dbraw/zinc/38/49/34/721384934.db2.gz	HEOBPRITTRIEIV-RXVVDRJESA-N	0	0	448.901	4.139	20	30		IIEDRN
COc1cc(C(F)(F)N2C[C@H]3CCC[C@]3(COc3ccccn3)C2)c(C#N)c(Cl)n1	ZINC001164795731	721505980	/nfs/dbraw/zinc/50/59/80/721505980.db2.gz	MRKUNDQXLQAXFR-JLTOFOAXSA-N	0	0	434.874	4.241	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)cnc1Cl	ZINC001164903263	721571874	/nfs/dbraw/zinc/57/18/74/721571874.db2.gz	PRJAUSHWMFLULS-NCNPBXTDSA-N	0	0	434.849	4.392	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)cnc2Cl)cc1	ZINC001165014163	721764853	/nfs/dbraw/zinc/76/48/53/721764853.db2.gz	DVJJGKXSZLORJZ-NJYVYQBISA-N	0	0	445.897	4.449	20	30		IIEDRN
C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CCO2	ZINC001164974723	722167431	/nfs/dbraw/zinc/16/74/31/722167431.db2.gz	GWGCFHVXDKHGCR-UGSOOPFHSA-N	0	0	429.920	4.468	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@H]3O2)n1	ZINC001164633402	719261220	/nfs/dbraw/zinc/26/12/20/719261220.db2.gz	CLVXQAPWSLEZFU-DOPJRALCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3c(cc1C#N)CCC3)CC2	ZINC001164658500	719353718	/nfs/dbraw/zinc/35/37/18/719353718.db2.gz	HRFLEALMIDUFHS-UHFFFAOYSA-N	0	0	438.579	4.137	20	30		IIEDRN
COC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)Cc2cn(C)nc21	ZINC001164693351	719833665	/nfs/dbraw/zinc/83/36/65/719833665.db2.gz	ACKACZOSJHWZNX-QGZVFWFLSA-N	0	0	443.885	4.302	20	30		IIEDRN
CC[C@@H]1N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CCC[C@]12CCC(=O)N2	ZINC001164844333	720759538	/nfs/dbraw/zinc/75/95/38/720759538.db2.gz	BMKOWDZFBHKVOU-RXVVDRJESA-N	0	0	445.901	4.241	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)nc1Cl	ZINC001164766762	721269927	/nfs/dbraw/zinc/26/99/27/721269927.db2.gz	ONQOBLHKRUHGKI-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)cc(Cl)n1	ZINC001164766138	721270664	/nfs/dbraw/zinc/27/06/64/721270664.db2.gz	NSXQUYWJGZUAAZ-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2ccc(Cl)nc2C#N)CCO3)c1	ZINC001164775540	721304590	/nfs/dbraw/zinc/30/45/90/721304590.db2.gz	ZDXICQCHJKIUOJ-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc(Cl)n1	ZINC001164776215	721315601	/nfs/dbraw/zinc/31/56/01/721315601.db2.gz	MMNNAEZPKQDAHU-UHFFFAOYSA-N	0	0	429.833	4.353	20	30		IIEDRN
Cc1ccc2nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)c(C#N)c(Cl)c2c1	ZINC001164806892	721592112	/nfs/dbraw/zinc/59/21/12/721592112.db2.gz	NNHACWSQZLUOCQ-GPXNEJASSA-N	0	0	447.970	4.332	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)cc(Cl)n1	ZINC001164804772	721603724	/nfs/dbraw/zinc/60/37/24/721603724.db2.gz	ZDMYXPVQZYHJNH-KRWDZBQOSA-N	0	0	448.901	4.249	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@@H]21	ZINC001164951504	722004256	/nfs/dbraw/zinc/00/42/56/722004256.db2.gz	HLVJAEPFJTYPCR-JKSUJKDBSA-N	0	0	425.870	4.328	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4nc(Cl)ccc4C#N)C[C@H]3O2)n1	ZINC001164640230	719261388	/nfs/dbraw/zinc/26/13/88/719261388.db2.gz	RQWGOJNSNNQILM-XOKHGSTOSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@@H]2CC	ZINC001164702010	719820691	/nfs/dbraw/zinc/82/06/91/719820691.db2.gz	QLQPZPUXGSDEDG-CRAIPNDOSA-N	0	0	428.867	4.114	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@@]2(CCN(CC3CC3)C2=O)C1	ZINC001164819508	720275963	/nfs/dbraw/zinc/27/59/63/720275963.db2.gz	RHDDJWDMPAHRID-GOSISDBHSA-N	0	0	429.298	4.034	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164736427	720539831	/nfs/dbraw/zinc/53/98/31/720539831.db2.gz	YCRISPSCOSIFFF-OXQOHEQNSA-N	0	0	434.874	4.001	20	30		IIEDRN
COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2	ZINC001164850318	720829803	/nfs/dbraw/zinc/82/98/03/720829803.db2.gz	SOWIKTOHIPRLKP-CTNGQTDRSA-N	0	0	448.901	4.235	20	30		IIEDRN
COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2	ZINC001164851719	720829830	/nfs/dbraw/zinc/82/98/30/720829830.db2.gz	YLNXAYXDVFNFSO-PZJWPPBQSA-N	0	0	448.901	4.235	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CC4CC3(C(=O)N3CCCC3)C4)cnc2Cl)c1	ZINC001164874012	721239447	/nfs/dbraw/zinc/23/94/47/721239447.db2.gz	SAENCCQEVXJREA-UHFFFAOYSA-N	0	0	442.897	4.410	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1	ZINC001164764448	721270362	/nfs/dbraw/zinc/27/03/62/721270362.db2.gz	GSBVNUSTKSLLEU-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164788401	721383247	/nfs/dbraw/zinc/38/32/47/721383247.db2.gz	YXEGVCILZMIJGT-LAUBAEHRSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)cc(Cl)n1	ZINC001164780392	721384427	/nfs/dbraw/zinc/38/44/27/721384427.db2.gz	GTLBMBQUPDYJQC-DYESRHJHSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164783013	721384772	/nfs/dbraw/zinc/38/47/72/721384772.db2.gz	MUNDHBCOZBTULK-NQIIRXRSSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)cnc1Cl	ZINC001164780418	721384826	/nfs/dbraw/zinc/38/48/26/721384826.db2.gz	HEOBPRITTRIEIV-NQIIRXRSSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1	ZINC001164780475	721440212	/nfs/dbraw/zinc/44/02/12/721440212.db2.gz	BNRUYIFCRQZMDR-VXGBXAGGSA-N	0	0	431.899	4.063	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)c1	ZINC001164901941	721571901	/nfs/dbraw/zinc/57/19/01/721571901.db2.gz	HNEFMZWXULLVCY-FSWDVZBNSA-N	0	0	434.849	4.392	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCC3(CCOC[C@H]3COc3cccnc3)CC2)nc1Cl	ZINC001164804187	721603406	/nfs/dbraw/zinc/60/34/06/721603406.db2.gz	XUAHDDGYOBTBDG-KRWDZBQOSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1	ZINC001164798846	721603661	/nfs/dbraw/zinc/60/36/61/721603661.db2.gz	JHISLLMPDKKNJL-MRXNPFEDSA-N	0	0	448.901	4.249	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1ncccc1C#C[Si](C)(C)C)C2	ZINC001164911769	721756768	/nfs/dbraw/zinc/75/67/68/721756768.db2.gz	ZDWZRPIFOOVFHU-UHFFFAOYSA-N	0	0	430.628	4.493	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1	ZINC001164915957	721804710	/nfs/dbraw/zinc/80/47/10/721804710.db2.gz	MURRHRHMVIQOPW-SCLBCKFNSA-N	0	0	441.265	4.017	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]21	ZINC001164950578	722004413	/nfs/dbraw/zinc/00/44/13/722004413.db2.gz	DBXMZKZCCVQINE-JKSUJKDBSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1Cl	ZINC001164982472	722163539	/nfs/dbraw/zinc/16/35/39/722163539.db2.gz	VTGIZPXQGQWNQB-PXNSSMCTSA-N	0	0	425.907	4.486	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC2)c2cc(C)ccc21	ZINC001164992114	722189711	/nfs/dbraw/zinc/18/97/11/722189711.db2.gz	WFEMGOVPVWRDIR-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
C=CCOc1cccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c1	ZINC000426757232	1126088233	/nfs/dbraw/zinc/08/82/33/1126088233.db2.gz	NXVBJDDJSNYDFY-LJQANCHMSA-N	0	0	429.314	4.281	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)cc(Cl)n1	ZINC001164734067	720538515	/nfs/dbraw/zinc/53/85/15/720538515.db2.gz	GYFHZEZWXRMZTG-FOIQADDNSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)c1	ZINC001164736424	720540124	/nfs/dbraw/zinc/54/01/24/720540124.db2.gz	YCQBFOFTKBOOLO-UZLBHIALSA-N	0	0	434.874	4.001	20	30		IIEDRN
CC[C@@H]1N(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)CCC[C@]12CCC(=O)N2	ZINC001164849510	720758072	/nfs/dbraw/zinc/75/80/72/720758072.db2.gz	SXRQPZMLGBCJFB-RXVVDRJESA-N	0	0	445.901	4.241	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cnc1Cl	ZINC001164775388	721315453	/nfs/dbraw/zinc/31/54/53/721315453.db2.gz	DFRDAEBWIWTAPF-UHFFFAOYSA-N	0	0	429.833	4.353	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1	ZINC001164883229	721353852	/nfs/dbraw/zinc/35/38/52/721353852.db2.gz	OJJSZLVTJFCVPB-OLZOCXBDSA-N	0	0	429.279	4.251	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164781285	721383860	/nfs/dbraw/zinc/38/38/60/721383860.db2.gz	ITXMZVNTMJMJGZ-DYESRHJHSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164784557	721385502	/nfs/dbraw/zinc/38/55/02/721385502.db2.gz	QDVSSZYBWAGOLL-GHTZIAJQSA-N	0	0	448.901	4.139	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cccc(-c3ccc(Cl)nn3)c1)CC2	ZINC001164790202	721446872	/nfs/dbraw/zinc/44/68/72/721446872.db2.gz	XIHGCBWXWBUUSG-UHFFFAOYSA-N	0	0	445.901	4.341	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2C[C@@H]3CC[C@H](C2)C3C(=O)Nc2cccc(F)c2)cc(Cl)n1	ZINC001164902356	721571875	/nfs/dbraw/zinc/57/18/75/721571875.db2.gz	KJPGLQOLFWVPEA-ZHZUQJFRSA-N	0	0	434.849	4.392	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164809373	721575573	/nfs/dbraw/zinc/57/55/73/721575573.db2.gz	WQIXBJMQMUKPIT-MQSCRBSSSA-N	0	0	433.943	4.023	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc(Cl)c1C#N)C2	ZINC001164911631	721764251	/nfs/dbraw/zinc/76/42/51/721764251.db2.gz	QCMDSZYFMIBQCJ-UHFFFAOYSA-N	0	0	428.323	4.443	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)cnc2Cl)cc1	ZINC001165014161	721764979	/nfs/dbraw/zinc/76/49/79/721764979.db2.gz	DVJJGKXSZLORJZ-HKBOAZHASA-N	0	0	445.897	4.449	20	30		IIEDRN
CC(C)(C)OC(=O)[C@H]1CCCN(C(F)(F)c2nc(Cl)c(C#N)c(C(F)(F)F)n2)C1	ZINC001165050783	721993530	/nfs/dbraw/zinc/99/35/30/721993530.db2.gz	AWSQXLFKXXOBKI-VIFPVBQESA-N	0	0	440.800	4.123	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164979976	722164023	/nfs/dbraw/zinc/16/40/23/722164023.db2.gz	MLFDNMXRGJHMGA-OXJNMPFZSA-N	0	0	425.907	4.486	20	30		IIEDRN
O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000426749024	1126086731	/nfs/dbraw/zinc/08/67/31/1126086731.db2.gz	BYTLVPYRVKBUNB-LLVKDONJSA-N	0	0	449.273	4.183	20	30		IIEDRN
C=CCN(Cc1ccc(Cl)s1)Cn1nc2n(c1=S)c1ccccc1c(=O)n2C	ZINC000012551055	518782172	/nfs/dbraw/zinc/78/21/72/518782172.db2.gz	UTSMQVJLRHZGTH-UHFFFAOYSA-N	0	0	431.974	4.078	20	30		IIEDRN
CCOC(=O)[C@@]12C[C@@H]1CCN2C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164620293	719043545	/nfs/dbraw/zinc/04/35/45/719043545.db2.gz	FXTMSWHWUVOKOX-BBATYDOGSA-N	0	0	426.250	4.490	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(SC)n1)[C@H]2CC	ZINC001164699661	719820926	/nfs/dbraw/zinc/82/09/26/719820926.db2.gz	HRXSNCCRZDDQAP-KBXCAEBGSA-N	0	0	430.952	4.323	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@@H]2CC	ZINC001164698641	719823028	/nfs/dbraw/zinc/82/30/28/719823028.db2.gz	FONYMJKZSKBZIT-FZKQIMNGSA-N	0	0	433.330	4.340	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@H]3Cc3ccccc3)c(Cl)nn2)cc1	ZINC001164834502	720494996	/nfs/dbraw/zinc/49/49/96/720494996.db2.gz	STSKACFIJPVJAI-NHCUHLMSSA-N	0	0	440.881	4.396	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)cc(Cl)n1	ZINC001164734070	720538334	/nfs/dbraw/zinc/53/83/34/720538334.db2.gz	GYFHZEZWXRMZTG-YWZLYKJASA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164736603	720539287	/nfs/dbraw/zinc/53/92/87/720539287.db2.gz	ZYGCUAAGOLNWTI-UZLBHIALSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)C2=O)c1	ZINC001164848411	720806299	/nfs/dbraw/zinc/80/62/99/720806299.db2.gz	CNHGCDNJDDVJFI-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)C2=O)c1	ZINC001164854215	720808021	/nfs/dbraw/zinc/80/80/21/720808021.db2.gz	UHVJKNLJMIFJFL-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2	ZINC001164851721	720829824	/nfs/dbraw/zinc/82/98/24/720829824.db2.gz	YLNXAYXDVFNFSO-TZIWHRDSSA-N	0	0	448.901	4.235	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1	ZINC001164883230	721353878	/nfs/dbraw/zinc/35/38/78/721353878.db2.gz	OJJSZLVTJFCVPB-QWHCGFSZSA-N	0	0	429.279	4.251	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@@H]43)cnc2Cl)c1	ZINC001165013915	721765001	/nfs/dbraw/zinc/76/50/01/721765001.db2.gz	AWNXYAOPACDFEB-HKBOAZHASA-N	0	0	445.897	4.449	20	30		IIEDRN
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCN(C[C@H]4CCCO4)CC3)cc2c1Cl	ZINC001165043554	721926795	/nfs/dbraw/zinc/92/67/95/721926795.db2.gz	LISCAGQXYJQRPJ-CQSZACIVSA-N	0	0	441.309	4.259	20	30		IIEDRN
C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CCO2	ZINC001164976221	722166570	/nfs/dbraw/zinc/16/65/70/722166570.db2.gz	KMWGUHNOHYEWJY-ACJLOTCBSA-N	0	0	432.298	4.383	20	30		IIEDRN
N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cccc(Cl)n4)C3)C2)c1	ZINC001165004949	722258329	/nfs/dbraw/zinc/25/83/29/722258329.db2.gz	YKMYQNDYWACPAM-NRFANRHFSA-N	0	0	432.902	4.275	20	30		IIEDRN
C=CCOc1c(Br)cc(C[NH2+][C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1OC	ZINC000426810958	1126091893	/nfs/dbraw/zinc/09/18/93/1126091893.db2.gz	KJALOLOECKOPCM-IBGZPJMESA-N	0	0	448.357	4.425	20	30		IIEDRN
COc1ccc(C[NH2+][C@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1C#N	ZINC000756381494	1126108082	/nfs/dbraw/zinc/10/80/82/1126108082.db2.gz	HKIHHHKUPLDLBI-GOSISDBHSA-N	0	0	427.913	4.129	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@H]3O2)n1	ZINC001164634423	719260122	/nfs/dbraw/zinc/26/01/22/719260122.db2.gz	GFKNPFHXOMEHES-XOKHGSTOSA-N	0	0	433.890	4.421	20	30		IIEDRN
N#Cc1cc(Cl)c(Cl)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1	ZINC001164670988	719508756	/nfs/dbraw/zinc/50/87/56/719508756.db2.gz	AUFACWMAPYJBCK-UHFFFAOYSA-N	0	0	435.330	4.271	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)nc(SC)n1)[C@@H]2CC	ZINC001164699664	719820993	/nfs/dbraw/zinc/82/09/93/719820993.db2.gz	HRXSNCCRZDDQAP-RDTXWAMCSA-N	0	0	430.952	4.323	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@H]3Cc3ccccc3)c(Cl)nn2)c1	ZINC001164833211	720495173	/nfs/dbraw/zinc/49/51/73/720495173.db2.gz	NMJIGDXQBUNPIV-RTWAWAEBSA-N	0	0	440.881	4.396	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164735281	720539306	/nfs/dbraw/zinc/53/93/06/720539306.db2.gz	NUSSRGBBROCHFV-JXFKEZNVSA-N	0	0	434.874	4.001	20	30		IIEDRN
CC[C@@H]1N(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)CCC[C@@]12CCC(=O)N2	ZINC001164849505	720758580	/nfs/dbraw/zinc/75/85/80/720758580.db2.gz	SXRQPZMLGBCJFB-GHTZIAJQSA-N	0	0	445.901	4.241	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2ccnc(Cl)c2C#N)CCO3)c1	ZINC001164775320	721304426	/nfs/dbraw/zinc/30/44/26/721304426.db2.gz	VNHXAUXQXQNFPE-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164781288	721383853	/nfs/dbraw/zinc/38/38/53/721383853.db2.gz	ITXMZVNTMJMJGZ-UWJYYQICSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164784558	721385422	/nfs/dbraw/zinc/38/54/22/721385422.db2.gz	QDVSSZYBWAGOLL-NQIIRXRSSA-N	0	0	448.901	4.139	20	30		IIEDRN
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c12	ZINC001164781432	721440285	/nfs/dbraw/zinc/44/02/85/721440285.db2.gz	FWQGERWDPIQHTK-OKILXGFUSA-N	0	0	427.936	4.232	20	30		IIEDRN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1	ZINC001164785878	721440357	/nfs/dbraw/zinc/44/03/57/721440357.db2.gz	TUXWLNHKFMYGNF-CHWSQXEVSA-N	0	0	430.364	4.438	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164983228	722164882	/nfs/dbraw/zinc/16/48/82/722164882.db2.gz	ZKSKTWPBWJNKGG-XLIONFOSSA-N	0	0	425.907	4.486	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)c2cc(C)ccc21	ZINC001164991985	722189502	/nfs/dbraw/zinc/18/95/02/722189502.db2.gz	UGYCLTXFHRCYNV-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
C=C(C)COc1cc(C[NH2+][C@H](Cc2cccc(Br)c2)C(=O)[O-])ccc1OC	ZINC000426756318	1126087934	/nfs/dbraw/zinc/08/79/34/1126087934.db2.gz	JGOIIGKJOLCAQW-GOSISDBHSA-N	0	0	434.330	4.198	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@@H]3O2)n1	ZINC001164640290	719260097	/nfs/dbraw/zinc/26/00/97/719260097.db2.gz	SKSCQMNYTDLIKH-KKXDTOCCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@H]3O2)n1	ZINC001164636577	719260874	/nfs/dbraw/zinc/26/08/74/719260874.db2.gz	JGHASYJQMJCCHE-DOPJRALCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)n1nc(CN(C)C)c2c1CN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2	ZINC001164652717	719317980	/nfs/dbraw/zinc/31/79/80/719317980.db2.gz	LEWCJHINYSRZSN-UHFFFAOYSA-N	0	0	426.927	4.301	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3[nH]c(C#N)cc3n1)CC2	ZINC001164660690	719352927	/nfs/dbraw/zinc/35/29/27/719352927.db2.gz	XGRWDBKFSHSYFX-UHFFFAOYSA-N	0	0	437.551	4.129	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(CC#N)cc1Cl)CC2	ZINC001164660762	719355351	/nfs/dbraw/zinc/35/53/51/719355351.db2.gz	YVPCWZNAYXOBDJ-UHFFFAOYSA-N	0	0	446.986	4.496	20	30		IIEDRN
Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC3)cn1	ZINC001164703981	719825183	/nfs/dbraw/zinc/82/51/83/719825183.db2.gz	WPRZLUUSEGZVJV-LBPRGKRZSA-N	0	0	442.297	4.082	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[C@@H]1CC(=O)N2c1ccsc1	ZINC001164883231	721353728	/nfs/dbraw/zinc/35/37/28/721353728.db2.gz	OJJSZLVTJFCVPB-STQMWFEESA-N	0	0	429.279	4.251	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)nc1Cl	ZINC001164784612	721382930	/nfs/dbraw/zinc/38/29/30/721382930.db2.gz	QVKGRPBNZWRFGE-RXVVDRJESA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)cnc1Cl	ZINC001164780420	721384834	/nfs/dbraw/zinc/38/48/34/721384834.db2.gz	HEOBPRITTRIEIV-WIYYLYMNSA-N	0	0	448.901	4.139	20	30		IIEDRN
COc1cc(C(F)(F)N2C[C@@H]3CCC[C@@]3(COc3ccccn3)C2)c(C#N)c(Cl)n1	ZINC001164795745	721505879	/nfs/dbraw/zinc/50/58/79/721505879.db2.gz	MRKUNDQXLQAXFR-XOBRGWDASA-N	0	0	434.874	4.241	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1	ZINC001164798789	721603935	/nfs/dbraw/zinc/60/39/35/721603935.db2.gz	IRNKSDMMJIESQB-KRWDZBQOSA-N	0	0	448.901	4.249	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164953606	722006319	/nfs/dbraw/zinc/00/63/19/722006319.db2.gz	RYYIVOPJNNSEKA-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)cc(Cl)n1	ZINC001164977838	722164849	/nfs/dbraw/zinc/16/48/49/722164849.db2.gz	HBNHOUQTFPZXAS-UYAOXDASSA-N	0	0	425.907	4.486	20	30		IIEDRN
CCCc1cc(C#N)c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc1Cl	ZINC001164994606	722183514	/nfs/dbraw/zinc/18/35/14/722183514.db2.gz	ZPHOMHZIPRGRRK-UXHICEINSA-N	0	0	446.020	4.194	20	30		IIEDRN
CCCc1cc(C#N)c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1Cl	ZINC001164994605	722183539	/nfs/dbraw/zinc/18/35/39/722183539.db2.gz	ZPHOMHZIPRGRRK-PMACEKPBSA-N	0	0	446.020	4.194	20	30		IIEDRN
COc1ccc(C[NH2+][C@@H](Cc2csc(-c3ccccc3Cl)n2)C(=O)[O-])cc1C#N	ZINC000756381504	1126108239	/nfs/dbraw/zinc/10/82/39/1126108239.db2.gz	HKIHHHKUPLDLBI-SFHVURJKSA-N	0	0	427.913	4.129	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(C#N)n1)CC2	ZINC001164664119	719345974	/nfs/dbraw/zinc/34/59/74/719345974.db2.gz	RPPZEFUCGCQBJP-UHFFFAOYSA-N	0	0	432.959	4.301	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(Cl)c1C#N)CC2	ZINC001164662872	719347578	/nfs/dbraw/zinc/34/75/78/719347578.db2.gz	AOEWWRSIPUGNHP-UHFFFAOYSA-N	0	0	432.959	4.301	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cnc1Cl	ZINC001164736254	720539487	/nfs/dbraw/zinc/53/94/87/720539487.db2.gz	WXGXBQHRQVXONW-OXJNMPFZSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCc2c(COCc3ccccn3)cncc2C1	ZINC001164763101	721270330	/nfs/dbraw/zinc/27/03/30/721270330.db2.gz	BTKGFIUHBHYNOX-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164785868	721440479	/nfs/dbraw/zinc/44/04/79/721440479.db2.gz	TUXWLNHKFMYGNF-BETUJISGSA-N	0	0	430.364	4.438	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1	ZINC001164903620	721571915	/nfs/dbraw/zinc/57/19/15/721571915.db2.gz	QINFGBGGUBPVRT-ZHZUQJFRSA-N	0	0	434.849	4.392	20	30		IIEDRN
Cc1ccc2nc(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)c(C#N)c(Cl)c2c1	ZINC001164806890	721592167	/nfs/dbraw/zinc/59/21/67/721592167.db2.gz	NNHACWSQZLUOCQ-FIXSFTCYSA-N	0	0	447.970	4.332	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@H]21	ZINC001164954033	722003904	/nfs/dbraw/zinc/00/39/04/722003904.db2.gz	VCXPLBZMRXIRSJ-CABCVRRESA-N	0	0	425.870	4.328	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@@H]21	ZINC001164953213	722004366	/nfs/dbraw/zinc/00/43/66/722004366.db2.gz	QJPQPTNTZYJRQG-WMLDXEAASA-N	0	0	425.870	4.328	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2	ZINC001164953099	722006308	/nfs/dbraw/zinc/00/63/08/722006308.db2.gz	ORXTWSQNVNTSHO-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cnc2Cl)cc1	ZINC001164967919	722078140	/nfs/dbraw/zinc/07/81/40/722078140.db2.gz	MTLFCPAKGMLGNZ-BGYRXZFFSA-N	0	0	444.913	4.118	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164980625	722164553	/nfs/dbraw/zinc/16/45/53/722164553.db2.gz	OAMVSOBHFZMPSV-UZLBHIALSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)cc(Cl)n1	ZINC001164977833	722164983	/nfs/dbraw/zinc/16/49/83/722164983.db2.gz	HBNHOUQTFPZXAS-ICSRJNTNSA-N	0	0	425.907	4.486	20	30		IIEDRN
CCCc1cc(C#N)c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1Cl	ZINC001164994608	722183540	/nfs/dbraw/zinc/18/35/40/722183540.db2.gz	ZPHOMHZIPRGRRK-VQTJNVASSA-N	0	0	446.020	4.194	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@@H]3O2)n1	ZINC001164641881	719261415	/nfs/dbraw/zinc/26/14/15/719261415.db2.gz	XNWSXHPEBOMIHS-BVGQSLNGSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@@H]3O2)n1	ZINC001164632778	719262112	/nfs/dbraw/zinc/26/21/12/719262112.db2.gz	BDWISUMRBVKBLL-BVGQSLNGSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)[C@@H]2CC	ZINC001164699160	719822855	/nfs/dbraw/zinc/82/28/55/719822855.db2.gz	GMHUOBSGMOHIAV-OXQOHEQNSA-N	0	0	438.906	4.086	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@H]2CC	ZINC001164698646	719822979	/nfs/dbraw/zinc/82/29/79/719822979.db2.gz	FONYMJKZSKBZIT-UGSOOPFHSA-N	0	0	433.330	4.340	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164736470	720538814	/nfs/dbraw/zinc/53/88/14/720538814.db2.gz	YTVGRZXFZQURJA-YWZLYKJASA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1Cc2cncn2C[C@H](COCC2CC2)C1	ZINC001164756102	720971906	/nfs/dbraw/zinc/97/19/06/720971906.db2.gz	DZFPDPDNQSWECU-ZDUSSCGKSA-N	0	0	442.297	4.064	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1	ZINC001164776808	721315458	/nfs/dbraw/zinc/31/54/58/721315458.db2.gz	QCLSPPWHVYXRLN-UHFFFAOYSA-N	0	0	429.833	4.353	20	30		IIEDRN
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164780474	721440383	/nfs/dbraw/zinc/44/03/83/721440383.db2.gz	BNRUYIFCRQZMDR-TXEJJXNPSA-N	0	0	431.899	4.063	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1	ZINC001164900775	721571890	/nfs/dbraw/zinc/57/18/90/721571890.db2.gz	AETGIVZSXBCUFL-ZHZUQJFRSA-N	0	0	434.849	4.392	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)nc1Cl	ZINC001164804188	721603448	/nfs/dbraw/zinc/60/34/48/721603448.db2.gz	XUAHDDGYOBTBDG-QGZVFWFLSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1	ZINC001164803319	721603812	/nfs/dbraw/zinc/60/38/12/721603812.db2.gz	VMGWNJBXBNFEFF-QGZVFWFLSA-N	0	0	448.901	4.249	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164910094	721753151	/nfs/dbraw/zinc/75/31/51/721753151.db2.gz	LXKWOKMBFGSBOW-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN(CCOc2ccccc2)CC1	ZINC001165046004	721962419	/nfs/dbraw/zinc/96/24/19/721962419.db2.gz	GMDOUOLGJLFHAJ-UHFFFAOYSA-N	0	0	428.870	4.239	20	30		IIEDRN
COC[C@]12COC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164952237	721997442	/nfs/dbraw/zinc/99/74/42/721997442.db2.gz	QSFZCXJAOGJDAA-KZULUSFZSA-N	0	0	428.266	4.057	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@H]21	ZINC001164950573	722004249	/nfs/dbraw/zinc/00/42/49/722004249.db2.gz	DBXMZKZCCVQINE-HOTGVXAUSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1Cl	ZINC001164982470	722163833	/nfs/dbraw/zinc/16/38/33/722163833.db2.gz	VTGIZPXQGQWNQB-FXAWDEMLSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4ccc(Cl)nc4)C3)C2)c1	ZINC001165004380	722258156	/nfs/dbraw/zinc/25/81/56/722258156.db2.gz	QRDUKVALTIAKSS-NRFANRHFSA-N	0	0	432.902	4.275	20	30		IIEDRN
C=CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1Cl	ZINC000426748672	1126086771	/nfs/dbraw/zinc/08/67/71/1126086771.db2.gz	ZDOUBCWAOZGMNO-IBGZPJMESA-N	0	0	429.860	4.080	20	30		IIEDRN
CC(C)n1nc(CN(C)C)c2c1CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164647865	719307371	/nfs/dbraw/zinc/30/73/71/719307371.db2.gz	OASNRYPWGRPYEH-UHFFFAOYSA-N	0	0	443.329	4.207	20	30		IIEDRN
CC(C)n1nc(CN(C)C)c2c1CN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2	ZINC001164651343	719315615	/nfs/dbraw/zinc/31/56/15/719315615.db2.gz	JGRBYPFIXWIEBL-UHFFFAOYSA-N	0	0	444.583	4.128	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@@H]2CC	ZINC001164698002	719821658	/nfs/dbraw/zinc/82/16/58/719821658.db2.gz	CPCIEHBUVOBJTP-QAPCUYQASA-N	0	0	428.867	4.114	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)[C@H]2CC	ZINC001164698003	719821862	/nfs/dbraw/zinc/82/18/62/719821862.db2.gz	CPCIEHBUVOBJTP-YJBOKZPZSA-N	0	0	428.867	4.114	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H](O)[C@@H]3Cc3ccccc3)c(Cl)nn2)c1	ZINC001164833212	720495400	/nfs/dbraw/zinc/49/54/00/720495400.db2.gz	NMJIGDXQBUNPIV-SFTDATJTSA-N	0	0	440.881	4.396	20	30		IIEDRN
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)c12	ZINC001164781435	721440318	/nfs/dbraw/zinc/44/03/18/721440318.db2.gz	FWQGERWDPIQHTK-ZIAGYGMSSA-N	0	0	427.936	4.232	20	30		IIEDRN
CCN(CCC#N)C(F)(F)c1nc(Cl)ncc1C(=O)OCc1ccc(Cl)cc1	ZINC001165048045	721987135	/nfs/dbraw/zinc/98/71/35/721987135.db2.gz	HXACFEJLUVJJCK-UHFFFAOYSA-N	0	0	429.254	4.425	20	30		IIEDRN
C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CCO2	ZINC001164974719	722167406	/nfs/dbraw/zinc/16/74/06/722167406.db2.gz	GWGCFHVXDKHGCR-SCLBCKFNSA-N	0	0	429.920	4.468	20	30		IIEDRN
CCCc1cc(C#N)c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1Cl	ZINC001164994610	722183468	/nfs/dbraw/zinc/18/34/68/722183468.db2.gz	ZPHOMHZIPRGRRK-WOJBJXKFSA-N	0	0	446.020	4.194	20	30		IIEDRN
N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cccc(Cl)n4)C3)C2)c1	ZINC001165004950	722258319	/nfs/dbraw/zinc/25/83/19/722258319.db2.gz	YKMYQNDYWACPAM-OAQYLSRUSA-N	0	0	432.902	4.275	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@H]3O2)n1	ZINC001164638710	719261275	/nfs/dbraw/zinc/26/12/75/719261275.db2.gz	OTMMXEQLFXHSBA-DOPJRALCSA-N	0	0	433.890	4.421	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164736469	720538810	/nfs/dbraw/zinc/53/88/10/720538810.db2.gz	YTVGRZXFZQURJA-QRWLVFNGSA-N	0	0	434.874	4.001	20	30		IIEDRN
COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2	ZINC001164850325	720829720	/nfs/dbraw/zinc/82/97/20/720829720.db2.gz	SOWIKTOHIPRLKP-TZIWHRDSSA-N	0	0	448.901	4.235	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCc3c(COCc4ccccn4)cncc3C2)c1	ZINC001164762862	721270395	/nfs/dbraw/zinc/27/03/95/721270395.db2.gz	ALXPBUPRSAZMJS-UHFFFAOYSA-N	0	0	441.869	4.221	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COCc3ccncc3)C2)c1	ZINC001164787868	721384857	/nfs/dbraw/zinc/38/48/57/721384857.db2.gz	XUZPUBHBGMWURB-RXVVDRJESA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)c1	ZINC001164979271	722164842	/nfs/dbraw/zinc/16/48/42/722164842.db2.gz	JNMGAOACVHXSNQ-YLJYHZDGSA-N	0	0	425.907	4.486	20	30		IIEDRN
COc1cc(/C=C2\CCC/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O	ZINC000006009944	562945745	/nfs/dbraw/zinc/94/57/45/562945745.db2.gz	QMHMTEMGAVZCQH-GONBZBRSSA-N	0	0	426.465	4.352	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@H]3O2)n1	ZINC001164640915	719261410	/nfs/dbraw/zinc/26/14/10/719261410.db2.gz	UFZNZVYQQNFIPN-BHYGNILZSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCOc1cc(C)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1	ZINC001164658592	719350349	/nfs/dbraw/zinc/35/03/49/719350349.db2.gz	JZALWUQEOOEELE-UHFFFAOYSA-N	0	0	444.583	4.045	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ccc1CC#N)CC2	ZINC001164658968	719354881	/nfs/dbraw/zinc/35/48/81/719354881.db2.gz	NQAJYAKSGCBNSW-UHFFFAOYSA-N	0	0	426.568	4.151	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(Cl)nc(SC)n1)[C@H]2CC	ZINC001164699663	719821010	/nfs/dbraw/zinc/82/10/10/719821010.db2.gz	HRXSNCCRZDDQAP-KSSFIOAISA-N	0	0	430.952	4.323	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)[C@H]2CC	ZINC001164699144	719822721	/nfs/dbraw/zinc/82/27/21/719822721.db2.gz	GMHUOBSGMOHIAV-JXFKEZNVSA-N	0	0	438.906	4.086	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164788405	721383206	/nfs/dbraw/zinc/38/32/06/721383206.db2.gz	YXEGVCILZMIJGT-UWJYYQICSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COCc3ccncc3)C2)c1	ZINC001164787871	721384878	/nfs/dbraw/zinc/38/48/78/721384878.db2.gz	XUZPUBHBGMWURB-WIYYLYMNSA-N	0	0	448.901	4.139	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)CC2	ZINC001164789417	721447086	/nfs/dbraw/zinc/44/70/86/721447086.db2.gz	VUDGQWZIECSEMH-UHFFFAOYSA-N	0	0	445.901	4.341	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)cnc1Cl	ZINC001164804164	721603798	/nfs/dbraw/zinc/60/37/98/721603798.db2.gz	XORNDAFPHHGZDY-GOSISDBHSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@@H]43)cnc2Cl)c1	ZINC001165013900	721764834	/nfs/dbraw/zinc/76/48/34/721764834.db2.gz	AWNXYAOPACDFEB-ACRUOGEOSA-N	0	0	445.897	4.449	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)cnc2Cl)c1	ZINC001165013912	721765044	/nfs/dbraw/zinc/76/50/44/721765044.db2.gz	AWNXYAOPACDFEB-HBMCJLEFSA-N	0	0	445.897	4.449	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CCN(C[C@H]4CCCO4)CC3)cnc2Cl)c1	ZINC001165044217	721926927	/nfs/dbraw/zinc/92/69/27/721926927.db2.gz	SOOPQPADWKLQAC-LJQANCHMSA-N	0	0	432.902	4.120	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@H]21	ZINC001164950571	722004355	/nfs/dbraw/zinc/00/43/55/722004355.db2.gz	DBXMZKZCCVQINE-CVEARBPZSA-N	0	0	425.870	4.328	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]21	ZINC001164951228	722004372	/nfs/dbraw/zinc/00/43/72/722004372.db2.gz	HLVJAEPFJTYPCR-CVEARBPZSA-N	0	0	425.870	4.328	20	30		IIEDRN
CC(C)C(=O)N[C@@H]1[C@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@H]21	ZINC001164965549	722040183	/nfs/dbraw/zinc/04/01/83/722040183.db2.gz	ZHPCMBNEXRLGKF-HALDLXJZSA-N	0	0	439.293	4.165	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164980619	722164495	/nfs/dbraw/zinc/16/44/95/722164495.db2.gz	OAMVSOBHFZMPSV-JXFKEZNVSA-N	0	0	425.907	4.486	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)c2cc(C)ccc21	ZINC001164992244	722189524	/nfs/dbraw/zinc/18/95/24/722189524.db2.gz	YPHRCPQOLRWPMZ-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
C=CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1	ZINC000426809555	1126091679	/nfs/dbraw/zinc/09/16/79/1126091679.db2.gz	VSHBLUAVUAUTJN-HXUWFJFHSA-N	0	0	429.314	4.281	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@H]3O2)n1	ZINC001164640919	719261351	/nfs/dbraw/zinc/26/13/51/719261351.db2.gz	UFZNZVYQQNFIPN-HYVNUMGLSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)[C@H]2CC	ZINC001164699528	719823054	/nfs/dbraw/zinc/82/30/54/719823054.db2.gz	HANLIRPZKNROMY-OXJNMPFZSA-N	0	0	435.906	4.149	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)cc(Cl)n1	ZINC001164734069	720538320	/nfs/dbraw/zinc/53/83/20/720538320.db2.gz	GYFHZEZWXRMZTG-QRWLVFNGSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164736602	720539801	/nfs/dbraw/zinc/53/98/01/720539801.db2.gz	ZYGCUAAGOLNWTI-OXQOHEQNSA-N	0	0	434.874	4.001	20	30		IIEDRN
CC[C@H]1N(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)CCC[C@]12CCC(=O)N2	ZINC001164849508	720758631	/nfs/dbraw/zinc/75/86/31/720758631.db2.gz	SXRQPZMLGBCJFB-NQIIRXRSSA-N	0	0	445.901	4.241	20	30		IIEDRN
CC[C@H]1N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CCC[C@]12CCC(=O)N2	ZINC001164844331	720759414	/nfs/dbraw/zinc/75/94/14/720759414.db2.gz	BMKOWDZFBHKVOU-NQIIRXRSSA-N	0	0	445.901	4.241	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@@H]2CCCO[C@H]12	ZINC001164802323	721530882	/nfs/dbraw/zinc/53/08/82/721530882.db2.gz	GADMIKUIHYMHLX-SDHSZQHLSA-N	0	0	443.526	4.023	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1	ZINC001164901276	721571942	/nfs/dbraw/zinc/57/19/42/721571942.db2.gz	DLXCYAMABAARLS-ZHZUQJFRSA-N	0	0	434.849	4.392	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164976540	722165367	/nfs/dbraw/zinc/16/53/67/722165367.db2.gz	BZNBNSLBIHIJJO-XLIONFOSSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1Cl	ZINC000426748673	1126086839	/nfs/dbraw/zinc/08/68/39/1126086839.db2.gz	ZDOUBCWAOZGMNO-LJQANCHMSA-N	0	0	429.860	4.080	20	30		IIEDRN
C=CCOc1c(Br)cc(C[NH2+][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])cc1OC	ZINC000426810959	1126091938	/nfs/dbraw/zinc/09/19/38/1126091938.db2.gz	KJALOLOECKOPCM-LJQANCHMSA-N	0	0	448.357	4.425	20	30		IIEDRN
COC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C#N)c3)c2)Cc2cn(C)nc21	ZINC001164693339	719833547	/nfs/dbraw/zinc/83/35/47/719833547.db2.gz	ACKACZOSJHWZNX-KRWDZBQOSA-N	0	0	443.885	4.302	20	30		IIEDRN
N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@@H]3Cc3ccccc3)c(Cl)nn2)cc1	ZINC001164834501	720494845	/nfs/dbraw/zinc/49/48/45/720494845.db2.gz	STSKACFIJPVJAI-LEWJYISDSA-N	0	0	440.881	4.396	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164736425	720539496	/nfs/dbraw/zinc/53/94/96/720539496.db2.gz	YCRISPSCOSIFFF-JXFKEZNVSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)cnc1Cl	ZINC001164736256	720539821	/nfs/dbraw/zinc/53/98/21/720539821.db2.gz	WXGXBQHRQVXONW-UZLBHIALSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)C2=O)c1	ZINC001164856167	720807304	/nfs/dbraw/zinc/80/73/04/720807304.db2.gz	ZGCZWSGTTCMLRW-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2	ZINC001164850321	720829573	/nfs/dbraw/zinc/82/95/73/720829573.db2.gz	SOWIKTOHIPRLKP-FPOVZHCZSA-N	0	0	448.901	4.235	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2ccc(C#N)c(Cl)n2)CCO3)c1	ZINC001164774446	721303898	/nfs/dbraw/zinc/30/38/98/721303898.db2.gz	CCHJDWPTMLAKNB-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
COc1cc(C(F)(F)N2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c(C#N)c(Cl)n1	ZINC001164795744	721506141	/nfs/dbraw/zinc/50/61/41/721506141.db2.gz	MRKUNDQXLQAXFR-VLIAUNLRSA-N	0	0	434.874	4.241	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@@H]21	ZINC001164949979	722003397	/nfs/dbraw/zinc/00/33/97/722003397.db2.gz	AYJFRADIUQWGTN-GOEBONIOSA-N	0	0	425.870	4.328	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2	ZINC001164950598	722006258	/nfs/dbraw/zinc/00/62/58/722006258.db2.gz	DFWAJBCEIXCGPC-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164954523	722006290	/nfs/dbraw/zinc/00/62/90/722006290.db2.gz	XKPJXPZWSITNNN-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
C=CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1	ZINC000426717720	1126081815	/nfs/dbraw/zinc/08/18/15/1126081815.db2.gz	RIAZOSTVEUKHHB-IBGZPJMESA-N	0	0	429.314	4.281	20	30		IIEDRN
C=CCOc1cccc(C[NH2+][C@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c1	ZINC000426793296	1126090924	/nfs/dbraw/zinc/09/09/24/1126090924.db2.gz	PRWSEFDACMUPAI-HXUWFJFHSA-N	0	0	429.314	4.281	20	30		IIEDRN
C=CCn1c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)n2c2ccccc2c1=O	ZINC000003295896	519273396	/nfs/dbraw/zinc/27/33/96/519273396.db2.gz	AMGUFVOUFYUKTG-CYBMUJFWSA-N	0	0	439.928	4.003	20	30		IIEDRN
CC[C@@H]1N(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CCC[C@@]12CCC(=O)N2	ZINC001164844319	720759328	/nfs/dbraw/zinc/75/93/28/720759328.db2.gz	BMKOWDZFBHKVOU-GHTZIAJQSA-N	0	0	445.901	4.241	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164781255	721384766	/nfs/dbraw/zinc/38/47/66/721384766.db2.gz	IRMVDJXQHWCIRK-NQIIRXRSSA-N	0	0	448.901	4.139	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2	ZINC001164910011	721746463	/nfs/dbraw/zinc/74/64/63/721746463.db2.gz	XTQBEFKKSRCPJH-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@H]21	ZINC001165015737	721768853	/nfs/dbraw/zinc/76/88/53/721768853.db2.gz	MGGIIVQKDIGLNF-BXUZGUMPSA-N	0	0	441.265	4.139	20	30		IIEDRN
Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164953548	722005931	/nfs/dbraw/zinc/00/59/31/722005931.db2.gz	RAGZIRWZVAVSGD-UHFFFAOYSA-N	0	0	440.885	4.277	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164979982	722163907	/nfs/dbraw/zinc/16/39/07/722163907.db2.gz	MLFDNMXRGJHMGA-UZLBHIALSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164980621	722164486	/nfs/dbraw/zinc/16/44/86/722164486.db2.gz	OAMVSOBHFZMPSV-OXJNMPFZSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164983223	722165145	/nfs/dbraw/zinc/16/51/45/722165145.db2.gz	ZKSKTWPBWJNKGG-FXAWDEMLSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCn1c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)n2c2ccccc2c1=O	ZINC000009465265	519273492	/nfs/dbraw/zinc/27/34/92/519273492.db2.gz	WJTBHYJOJOACLR-LBPRGKRZSA-N	0	0	436.522	4.195	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@H]3O2)n1	ZINC001164640288	719260137	/nfs/dbraw/zinc/26/01/37/719260137.db2.gz	SKSCQMNYTDLIKH-JEBQAFNWSA-N	0	0	433.890	4.421	20	30		IIEDRN
CSc1nc(-c2ccccc2)nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1C#N	ZINC001164650252	719312907	/nfs/dbraw/zinc/31/29/07/719312907.db2.gz	VQKUXWNPWKYGLM-UHFFFAOYSA-N	0	0	447.612	4.139	20	30		IIEDRN
CC(C)n1nc(CN(C)C)c2c1CN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CC2	ZINC001164649236	719318400	/nfs/dbraw/zinc/31/84/00/719318400.db2.gz	ALUZFUHQSLTYMQ-UHFFFAOYSA-N	0	0	444.917	4.440	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(C)cc1C#N)CC2	ZINC001164662790	719348892	/nfs/dbraw/zinc/34/88/92/719348892.db2.gz	AAKDNBCKOIDVER-UHFFFAOYSA-N	0	0	426.568	4.265	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@]2(CCN(CC3CC3)C2=O)C1	ZINC001164819517	720276647	/nfs/dbraw/zinc/27/66/47/720276647.db2.gz	RHDDJWDMPAHRID-SFHVURJKSA-N	0	0	429.298	4.034	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)C2=O)c1	ZINC001164854213	720807829	/nfs/dbraw/zinc/80/78/29/720807829.db2.gz	UHVJKNLJMIFJFL-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1	ZINC001164803323	721603587	/nfs/dbraw/zinc/60/35/87/721603587.db2.gz	VPZNDSYPAHKJAL-INIZCTEOSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC3(CCOC[C@@H]3COc3cccnc3)CC2)cc(Cl)n1	ZINC001164804773	721603835	/nfs/dbraw/zinc/60/38/35/721603835.db2.gz	ZDMYXPVQZYHJNH-QGZVFWFLSA-N	0	0	448.901	4.249	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CCOC[C@H]2COc2cccnc2)CC1	ZINC001164803318	721603840	/nfs/dbraw/zinc/60/38/40/721603840.db2.gz	VMGWNJBXBNFEFF-KRWDZBQOSA-N	0	0	448.901	4.249	20	30		IIEDRN
CC(C)N(C)Cc1nnc2n1CCCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)C2	ZINC001165011306	721722132	/nfs/dbraw/zinc/72/21/32/721722132.db2.gz	OTFQSIRZZZORRO-UHFFFAOYSA-N	0	0	444.370	4.255	20	30		IIEDRN
CCOC(=O)C1(F)CCN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)CC1	ZINC001165016045	721835145	/nfs/dbraw/zinc/83/51/45/721835145.db2.gz	ALPZNBSVCNVSLL-UHFFFAOYSA-N	0	0	438.837	4.085	20	30		IIEDRN
COC[C@@]12COC[C@H]1CN(C(F)(F)c1ccc3nc(Cl)c(C#N)c(Cl)c3c1)C2	ZINC001164952240	721997447	/nfs/dbraw/zinc/99/74/47/721997447.db2.gz	QSFZCXJAOGJDAA-XIKOKIGWSA-N	0	0	428.266	4.057	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)ncc3C#N)C[C@H]21	ZINC001164954113	722004328	/nfs/dbraw/zinc/00/43/28/722004328.db2.gz	WALOXFGXYZUNLN-HOCLYGCPSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)cnc2Cl)c1	ZINC001164967914	722078134	/nfs/dbraw/zinc/07/81/34/722078134.db2.gz	MTHNPDQAIHWZSF-BGYRXZFFSA-N	0	0	444.913	4.118	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)c1	ZINC001164979260	722165148	/nfs/dbraw/zinc/16/51/48/722165148.db2.gz	JNMGAOACVHXSNQ-FXAWDEMLSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CCO2	ZINC001164976230	722166735	/nfs/dbraw/zinc/16/67/35/722166735.db2.gz	KMWGUHNOHYEWJY-UGSOOPFHSA-N	0	0	432.298	4.383	20	30		IIEDRN
N#Cc1cccc(COc2cccc(C[NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c2)c1	ZINC000426674873	1126081561	/nfs/dbraw/zinc/08/15/61/1126081561.db2.gz	NGMIDWZKXZRCMA-VWLOTQADSA-N	0	0	425.488	4.404	20	30		IIEDRN
C=CCOc1ccc(C[NH2+][C@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1	ZINC000426717721	1126081828	/nfs/dbraw/zinc/08/18/28/1126081828.db2.gz	RIAZOSTVEUKHHB-LJQANCHMSA-N	0	0	429.314	4.281	20	30		IIEDRN
C=CCOc1cccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])c1	ZINC000426757231	1126088110	/nfs/dbraw/zinc/08/81/10/1126088110.db2.gz	NXVBJDDJSNYDFY-IBGZPJMESA-N	0	0	429.314	4.281	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@@H]2CC	ZINC001164702014	719820672	/nfs/dbraw/zinc/82/06/72/719820672.db2.gz	QLQPZPUXGSDEDG-QAPCUYQASA-N	0	0	428.867	4.114	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H](O)[C@H]3Cc3ccccc3)c(Cl)nn2)c1	ZINC001164833210	720494827	/nfs/dbraw/zinc/49/48/27/720494827.db2.gz	NMJIGDXQBUNPIV-NHCUHLMSSA-N	0	0	440.881	4.396	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2cc(Cl)nc(C#N)c2)CCO3)c1	ZINC001164774638	721304474	/nfs/dbraw/zinc/30/44/74/721304474.db2.gz	FQRKVULQDLFTTR-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1	ZINC001164779420	721315587	/nfs/dbraw/zinc/31/55/87/721315587.db2.gz	XSTVZPMALQGWNJ-UHFFFAOYSA-N	0	0	429.833	4.353	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164781286	721383930	/nfs/dbraw/zinc/38/39/30/721383930.db2.gz	ITXMZVNTMJMJGZ-LAUBAEHRSA-N	0	0	448.901	4.139	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(Cl)nc(-c3ccccc3)n1)CC2	ZINC001164787217	721446547	/nfs/dbraw/zinc/44/65/47/721446547.db2.gz	WFHSBLSDTJMNJH-UHFFFAOYSA-N	0	0	445.901	4.341	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1	ZINC001164904985	721571922	/nfs/dbraw/zinc/57/19/22/721571922.db2.gz	WVOMVHRSJNCMEF-UUVAVEHKSA-N	0	0	434.849	4.392	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@H]2CN(C(=O)c3ccco3)C[C@H]21	ZINC001165015740	721768855	/nfs/dbraw/zinc/76/88/55/721768855.db2.gz	MGGIIVQKDIGLNF-SMDDNHRTSA-N	0	0	441.265	4.139	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@H]21	ZINC001164954034	722003932	/nfs/dbraw/zinc/00/39/32/722003932.db2.gz	VCXPLBZMRXIRSJ-GJZGRUSLSA-N	0	0	425.870	4.328	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]21	ZINC001164950492	722004533	/nfs/dbraw/zinc/00/45/33/722004533.db2.gz	CQPQFVYYMXYONE-HOTGVXAUSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1Cl	ZINC001164982476	722163580	/nfs/dbraw/zinc/16/35/80/722163580.db2.gz	VTGIZPXQGQWNQB-YLJYHZDGSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164979979	722164199	/nfs/dbraw/zinc/16/41/99/722164199.db2.gz	MLFDNMXRGJHMGA-OXQOHEQNSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCOc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])cc1	ZINC000426809497	1126091660	/nfs/dbraw/zinc/09/16/60/1126091660.db2.gz	VSHBLUAVUAUTJN-FQEVSTJZSA-N	0	0	429.314	4.281	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@H]3O2)n1	ZINC001164641883	719261210	/nfs/dbraw/zinc/26/12/10/719261210.db2.gz	XNWSXHPEBOMIHS-JEBQAFNWSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@@H]3O2)n1	ZINC001164640923	719261378	/nfs/dbraw/zinc/26/13/78/719261378.db2.gz	UFZNZVYQQNFIPN-PVAVHDDUSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)[C@H]2CC	ZINC001164699156	719822561	/nfs/dbraw/zinc/82/25/61/719822561.db2.gz	GMHUOBSGMOHIAV-OXJNMPFZSA-N	0	0	438.906	4.086	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@H]2CC	ZINC001164698644	719822963	/nfs/dbraw/zinc/82/29/63/719822963.db2.gz	FONYMJKZSKBZIT-SCLBCKFNSA-N	0	0	433.330	4.340	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164736598	720539813	/nfs/dbraw/zinc/53/98/13/720539813.db2.gz	ZYGCUAAGOLNWTI-JXFKEZNVSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2ccc(C#N)c(Cl)n2)CCO3)c1	ZINC001164774444	721304015	/nfs/dbraw/zinc/30/40/15/721304015.db2.gz	CCHJDWPTMLAKNB-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
CN(C)C1=NOC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)CC2	ZINC001164875599	721328006	/nfs/dbraw/zinc/32/80/06/721328006.db2.gz	MZGMOPIYSWXFOJ-UHFFFAOYSA-N	0	0	445.901	4.453	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc(-c3ccc(F)cc3)ccc2C#N)[C@H]2CCCO[C@H]12	ZINC001164802314	721531074	/nfs/dbraw/zinc/53/10/74/721531074.db2.gz	GADMIKUIHYMHLX-GVAUOCQISA-N	0	0	443.526	4.023	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2	ZINC001164910064	721755131	/nfs/dbraw/zinc/75/51/31/721755131.db2.gz	KJTMEJYCEBZEHA-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(C#C[Si](C)(C)C)ccn1)C2	ZINC001164911651	721764665	/nfs/dbraw/zinc/76/46/65/721764665.db2.gz	QSIJDDUWNCSRIP-UHFFFAOYSA-N	0	0	430.628	4.493	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cnc(Cl)cc3C#N)C[C@H]21	ZINC001164950489	722004668	/nfs/dbraw/zinc/00/46/68/722004668.db2.gz	CQPQFVYYMXYONE-CVEARBPZSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)cnc1Cl	ZINC001164978373	722165069	/nfs/dbraw/zinc/16/50/69/722165069.db2.gz	HMKYMKRIUDBAFR-AZUAARDMSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1nc3ccsc3c(Cl)n1)CCO2	ZINC001164974715	722167553	/nfs/dbraw/zinc/16/75/53/722167553.db2.gz	GWGCFHVXDKHGCR-FZKQIMNGSA-N	0	0	429.920	4.468	20	30		IIEDRN
N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4ccnc(Cl)c4)C3)C2)c1	ZINC001165003464	722258363	/nfs/dbraw/zinc/25/83/63/722258363.db2.gz	DPRYPOSHKQMPQL-OAQYLSRUSA-N	0	0	432.902	4.275	20	30		IIEDRN
CCOC(=O)[C@]12C[C@H]1CCN2C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1	ZINC001164620296	719043294	/nfs/dbraw/zinc/04/32/94/719043294.db2.gz	FXTMSWHWUVOKOX-ZMZPIMSZSA-N	0	0	426.250	4.490	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@@H]3O2)n1	ZINC001164633401	719261334	/nfs/dbraw/zinc/26/13/34/719261334.db2.gz	CLVXQAPWSLEZFU-BVGQSLNGSA-N	0	0	433.890	4.421	20	30		IIEDRN
N#Cc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c(Cl)cc1Cl	ZINC001164679377	719527875	/nfs/dbraw/zinc/52/78/75/719527875.db2.gz	ZEBQZXXYHLEXEB-UHFFFAOYSA-N	0	0	435.330	4.271	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@@]3(CCC[C@H]3COc3ccccn3)C2)cnc1Cl	ZINC001164736253	720539678	/nfs/dbraw/zinc/53/96/78/720539678.db2.gz	WXGXBQHRQVXONW-JXFKEZNVSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)C2=O)c1	ZINC001164851963	720807366	/nfs/dbraw/zinc/80/73/66/720807366.db2.gz	MCCGHOLEQDJIOQ-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)C2=O)c1	ZINC001164850053	720807598	/nfs/dbraw/zinc/80/75/98/720807598.db2.gz	IBEPUITVCGDGEK-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164781287	721383790	/nfs/dbraw/zinc/38/37/90/721383790.db2.gz	ITXMZVNTMJMJGZ-UTKZUKDTSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)c1	ZINC001164787862	721384861	/nfs/dbraw/zinc/38/48/61/721384861.db2.gz	XUZPUBHBGMWURB-GHTZIAJQSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COCc2ccncc2)C1	ZINC001164783011	721385008	/nfs/dbraw/zinc/38/50/08/721385008.db2.gz	MUNDHBCOZBTULK-GHTZIAJQSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164780473	721440499	/nfs/dbraw/zinc/44/04/99/721440499.db2.gz	BNRUYIFCRQZMDR-RYUDHWBXSA-N	0	0	431.899	4.063	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1	ZINC001164798793	721604021	/nfs/dbraw/zinc/60/40/21/721604021.db2.gz	IRNKSDMMJIESQB-QGZVFWFLSA-N	0	0	448.901	4.249	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1c(C#N)cnc3cnc(Cl)cc31)C2	ZINC001164908848	721746590	/nfs/dbraw/zinc/74/65/90/721746590.db2.gz	MBANUOBKJUITIA-UHFFFAOYSA-N	0	0	444.926	4.338	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(C#N)c(Cl)cc1Cl)C2	ZINC001164911215	721764426	/nfs/dbraw/zinc/76/44/26/721764426.db2.gz	OAIICFXVNJGTHW-UHFFFAOYSA-N	0	0	428.323	4.443	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21	ZINC001165015739	721768848	/nfs/dbraw/zinc/76/88/48/721768848.db2.gz	MGGIIVQKDIGLNF-RISCZKNCSA-N	0	0	441.265	4.139	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]21	ZINC001164949984	722003389	/nfs/dbraw/zinc/00/33/89/722003389.db2.gz	AYJFRADIUQWGTN-ZBFHGGJFSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1	ZINC001164976545	722165397	/nfs/dbraw/zinc/16/53/97/722165397.db2.gz	BZNBNSLBIHIJJO-YLJYHZDGSA-N	0	0	425.907	4.486	20	30		IIEDRN
C=CCOc1cccc(C[NH2+][C@@H](Cc2c[nH]c3ccc(Br)cc23)C(=O)[O-])c1	ZINC000426793295	1126090872	/nfs/dbraw/zinc/09/08/72/1126090872.db2.gz	PRWSEFDACMUPAI-FQEVSTJZSA-N	0	0	429.314	4.281	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@@H]3O2)n1	ZINC001164636573	719260917	/nfs/dbraw/zinc/26/09/17/719260917.db2.gz	JGHASYJQMJCCHE-BVGQSLNGSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@@H]3O2)n1	ZINC001164636583	719261011	/nfs/dbraw/zinc/26/10/11/719261011.db2.gz	JGHASYJQMJCCHE-KKXDTOCCSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@@H]3O2)n1	ZINC001164640927	719261457	/nfs/dbraw/zinc/26/14/57/719261457.db2.gz	UFZNZVYQQNFIPN-XIRDDKMYSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@H]3O2)n1	ZINC001164632780	719262076	/nfs/dbraw/zinc/26/20/76/719262076.db2.gz	BDWISUMRBVKBLL-DOPJRALCSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@@H]2CC	ZINC001164701117	719821721	/nfs/dbraw/zinc/82/17/21/719821721.db2.gz	OCDQVIJJBRBDON-QAPCUYQASA-N	0	0	428.867	4.114	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)[C@H]2CC	ZINC001164699240	719823109	/nfs/dbraw/zinc/82/31/09/719823109.db2.gz	HANLIRPZKNROMY-JXFKEZNVSA-N	0	0	435.906	4.149	20	30		IIEDRN
Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC3)cn1	ZINC001164703980	719825029	/nfs/dbraw/zinc/82/50/29/719825029.db2.gz	WPRZLUUSEGZVJV-GFCCVEGCSA-N	0	0	442.297	4.082	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@]3(CCC[C@@H]3COc3ccccn3)C2)c1	ZINC001164736423	720539873	/nfs/dbraw/zinc/53/98/73/720539873.db2.gz	YCQBFOFTKBOOLO-OXQOHEQNSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164735283	720539966	/nfs/dbraw/zinc/53/99/66/720539966.db2.gz	NUSSRGBBROCHFV-OXQOHEQNSA-N	0	0	434.874	4.001	20	30		IIEDRN
Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)C2=O)c1	ZINC001164848410	720806382	/nfs/dbraw/zinc/80/63/82/720806382.db2.gz	CNHGCDNJDDVJFI-NRFANRHFSA-N	0	0	430.886	4.089	20	30		IIEDRN
COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2	ZINC001164851717	720829755	/nfs/dbraw/zinc/82/97/55/720829755.db2.gz	YLNXAYXDVFNFSO-FPOVZHCZSA-N	0	0	448.901	4.235	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2ccc(Cl)nc2C#N)CCO3)c1	ZINC001164775541	721304499	/nfs/dbraw/zinc/30/44/99/721304499.db2.gz	ZDXICQCHJKIUOJ-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)c2cc(C#N)cc(Cl)n2)CCO3)c1	ZINC001164775506	721304536	/nfs/dbraw/zinc/30/45/36/721304536.db2.gz	YDEFPGXBENINIV-NRFANRHFSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1	ZINC001164777554	721315331	/nfs/dbraw/zinc/31/53/31/721315331.db2.gz	LBDQQTJJYSDWEU-UHFFFAOYSA-N	0	0	429.833	4.353	20	30		IIEDRN
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c12	ZINC001164781428	721440404	/nfs/dbraw/zinc/44/04/04/721440404.db2.gz	FWQGERWDPIQHTK-KBPBESRZSA-N	0	0	427.936	4.232	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@H]2CCCO[C@H]12	ZINC001164809375	721575173	/nfs/dbraw/zinc/57/51/73/721575173.db2.gz	WQIXBJMQMUKPIT-XJUOHMSHSA-N	0	0	433.943	4.023	20	30		IIEDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2	ZINC001164909450	721745667	/nfs/dbraw/zinc/74/56/67/721745667.db2.gz	ULDMTFRHITYQJN-UHFFFAOYSA-N	0	0	443.885	4.334	20	30		IIEDRN
N#CCCN(c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3)C1CCCC1	ZINC001165017201	721835749	/nfs/dbraw/zinc/83/57/49/721835749.db2.gz	JBESHNXLHSLCQR-UHFFFAOYSA-N	0	0	425.602	4.065	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)cnc2Cl)c1	ZINC001165044214	721926851	/nfs/dbraw/zinc/92/68/51/721926851.db2.gz	SOOPQPADWKLQAC-IBGZPJMESA-N	0	0	432.902	4.120	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)cc(Cl)n1	ZINC001164977835	722164839	/nfs/dbraw/zinc/16/48/39/722164839.db2.gz	HBNHOUQTFPZXAS-QUCCMNQESA-N	0	0	425.907	4.486	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)ccc4C#N)C[C@@H]3O2)n1	ZINC001164640228	719261205	/nfs/dbraw/zinc/26/12/05/719261205.db2.gz	RQWGOJNSNNQILM-JQFCIGGWSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@H]3O2)n1	ZINC001164633403	719261402	/nfs/dbraw/zinc/26/14/02/719261402.db2.gz	CLVXQAPWSLEZFU-JEBQAFNWSA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)[C@H]2CC	ZINC001164702012	719820521	/nfs/dbraw/zinc/82/05/21/719820521.db2.gz	QLQPZPUXGSDEDG-MAUKXSAKSA-N	0	0	428.867	4.114	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)[C@H]2CC	ZINC001164701119	719821749	/nfs/dbraw/zinc/82/17/49/719821749.db2.gz	OCDQVIJJBRBDON-YJBOKZPZSA-N	0	0	428.867	4.114	20	30		IIEDRN
Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)C2=O)c1	ZINC001164855675	720807277	/nfs/dbraw/zinc/80/72/77/720807277.db2.gz	XVEWGGLRSAPEEH-OAQYLSRUSA-N	0	0	430.886	4.089	20	30		IIEDRN
COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)C2	ZINC001164850323	720829846	/nfs/dbraw/zinc/82/98/46/720829846.db2.gz	SOWIKTOHIPRLKP-PZJWPPBQSA-N	0	0	448.901	4.235	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1Cc2cncn2C[C@@H](COCC2CC2)C1	ZINC001164756101	720972234	/nfs/dbraw/zinc/97/22/34/720972234.db2.gz	DZFPDPDNQSWECU-CYBMUJFWSA-N	0	0	442.297	4.064	20	30		IIEDRN
Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)c2ccnc(Cl)c2C#N)CCO3)c1	ZINC001164775321	721304517	/nfs/dbraw/zinc/30/45/17/721304517.db2.gz	VNHXAUXQXQNFPE-OAQYLSRUSA-N	0	0	432.902	4.336	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CCC(=O)N2CC2CC2)CC1	ZINC001164774433	721305709	/nfs/dbraw/zinc/30/57/09/721305709.db2.gz	BSMYUNLCHYKRQF-UHFFFAOYSA-N	0	0	429.298	4.176	20	30		IIEDRN
N#Cc1c(Cl)nc2cccc(Cl)c2c1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164785879	721440097	/nfs/dbraw/zinc/44/00/97/721440097.db2.gz	TUXWLNHKFMYGNF-STQMWFEESA-N	0	0	430.364	4.438	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1ccc(Cl)nc1C(F)(F)F)CC2	ZINC001164785247	721446908	/nfs/dbraw/zinc/44/69/08/721446908.db2.gz	HSRLPJSSILMYTQ-UHFFFAOYSA-N	0	0	436.812	4.298	20	30		IIEDRN
C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cnc(Cl)c(-c3ccncc3)c1)CC2	ZINC001164786585	721447063	/nfs/dbraw/zinc/44/70/63/721447063.db2.gz	NBAZRWKIOMLPPK-UHFFFAOYSA-N	0	0	445.901	4.341	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC[C@H]2CN(C(=O)c3ccco3)C[C@@H]21	ZINC001165015738	721768640	/nfs/dbraw/zinc/76/86/40/721768640.db2.gz	MGGIIVQKDIGLNF-FZMZJTMJSA-N	0	0	441.265	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)cc(Cl)n1	ZINC001164977829	722165063	/nfs/dbraw/zinc/16/50/63/722165063.db2.gz	HBNHOUQTFPZXAS-AZUAARDMSA-N	0	0	425.907	4.486	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@@H]3O2)n1	ZINC001164640282	719260135	/nfs/dbraw/zinc/26/01/35/719260135.db2.gz	SKSCQMNYTDLIKH-BVGQSLNGSA-N	0	0	433.890	4.421	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4nc(Cl)ccc4C#N)C[C@H]3O2)n1	ZINC001164640229	719261399	/nfs/dbraw/zinc/26/13/99/719261399.db2.gz	RQWGOJNSNNQILM-RRQGHBQHSA-N	0	0	433.890	4.421	20	30		IIEDRN
COc1cc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)c(C#N)c(Cl)n1	ZINC001164662589	719343487	/nfs/dbraw/zinc/34/34/87/719343487.db2.gz	QBRCDVLVJRCFHP-LNLFQRSKSA-N	0	0	441.906	4.103	20	30		IIEDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1C#N)CC2	ZINC001164658193	719352297	/nfs/dbraw/zinc/35/22/97/719352297.db2.gz	FIENVCWCTGXCKE-UHFFFAOYSA-N	0	0	432.959	4.301	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1cnc3c(Cl)ncnc3c1)[C@@H]2CC	ZINC001164699532	719823006	/nfs/dbraw/zinc/82/30/06/719823006.db2.gz	HANLIRPZKNROMY-UZLBHIALSA-N	0	0	435.906	4.149	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1	ZINC001164736468	720538501	/nfs/dbraw/zinc/53/85/01/720538501.db2.gz	YTVGRZXFZQURJA-MGPUTAFESA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COc2ccccn2)C1	ZINC001164736467	720538803	/nfs/dbraw/zinc/53/88/03/720538803.db2.gz	YTVGRZXFZQURJA-FOIQADDNSA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)nc1Cl	ZINC001164784611	721382862	/nfs/dbraw/zinc/38/28/62/721382862.db2.gz	QVKGRPBNZWRFGE-NQIIRXRSSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)cc(Cl)n1	ZINC001164780393	721384270	/nfs/dbraw/zinc/38/42/70/721384270.db2.gz	GTLBMBQUPDYJQC-LAUBAEHRSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164784560	721385419	/nfs/dbraw/zinc/38/54/19/721385419.db2.gz	QDVSSZYBWAGOLL-WIYYLYMNSA-N	0	0	448.901	4.139	20	30		IIEDRN
Cc1ccc2nc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c(C#N)c(Cl)c2c1	ZINC001164806888	721592023	/nfs/dbraw/zinc/59/20/23/721592023.db2.gz	NNHACWSQZLUOCQ-AOHZBQACSA-N	0	0	447.970	4.332	20	30		IIEDRN
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCCn4c(CN(C)C(C)C)nnc4C3)c12	ZINC001165011525	721721749	/nfs/dbraw/zinc/72/17/49/721721749.db2.gz	RIRFNKAQBPKMJX-UHFFFAOYSA-N	0	0	441.942	4.049	20	30		IIEDRN
N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@@H]4COC[C@H]43)cnc2Cl)c1	ZINC001165013918	721765027	/nfs/dbraw/zinc/76/50/27/721765027.db2.gz	AWNXYAOPACDFEB-NJYVYQBISA-N	0	0	445.897	4.449	20	30		IIEDRN
Cc1cnc2n1CCN(C)C21CCN(c2c(C#N)c(Cl)nc3ccc(F)c(C)c32)CC1	ZINC001164919848	721822157	/nfs/dbraw/zinc/82/21/57/721822157.db2.gz	XFTJGWNPOQXYQE-UHFFFAOYSA-N	0	0	438.938	4.153	20	30		IIEDRN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC1)C(=O)Nc1c2cccc1F	ZINC001165030146	721832484	/nfs/dbraw/zinc/83/24/84/721832484.db2.gz	YBHMIWKKCNWTMT-UHFFFAOYSA-N	0	0	441.240	4.434	20	30		IIEDRN
CCOC(=O)C1(F)CCN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CC1	ZINC001165016291	721835209	/nfs/dbraw/zinc/83/52/09/721835209.db2.gz	DSXUSUPMGGXZMS-UHFFFAOYSA-N	0	0	438.837	4.085	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccnc(Cl)c3C#N)C[C@H]21	ZINC001164949982	722003443	/nfs/dbraw/zinc/00/34/43/722003443.db2.gz	AYJFRADIUQWGTN-HOCLYGCPSA-N	0	0	425.870	4.328	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)nc(C#N)c3)C[C@H]21	ZINC001164953209	722004401	/nfs/dbraw/zinc/00/44/01/722004401.db2.gz	QJPQPTNTZYJRQG-PBHICJAKSA-N	0	0	425.870	4.328	20	30		IIEDRN
N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1	ZINC001164983225	722164918	/nfs/dbraw/zinc/16/49/18/722164918.db2.gz	ZKSKTWPBWJNKGG-PXNSSMCTSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)c1	ZINC001164979267	722165039	/nfs/dbraw/zinc/16/50/39/722165039.db2.gz	JNMGAOACVHXSNQ-XLIONFOSSA-N	0	0	425.907	4.486	20	30		IIEDRN
N#Cc1ccccc1COc1cccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1	ZINC000426675296	1126081501	/nfs/dbraw/zinc/08/15/01/1126081501.db2.gz	QWBFBEQYBNYYOZ-RUZDIDTESA-N	0	0	425.488	4.404	20	30		IIEDRN
O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000426749025	1126086728	/nfs/dbraw/zinc/08/67/28/1126086728.db2.gz	BYTLVPYRVKBUNB-NSHDSACASA-N	0	0	449.273	4.183	20	30		IIEDRN
CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@@H]3O2)n1	ZINC001164634412	719260063	/nfs/dbraw/zinc/26/00/63/719260063.db2.gz	GFKNPFHXOMEHES-COXVUDFISA-N	0	0	433.890	4.421	20	30		IIEDRN
C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc3ncnc(Cl)c3n1)[C@@H]2CC	ZINC001164703216	719822568	/nfs/dbraw/zinc/82/25/68/719822568.db2.gz	USHCFMKRHQCWGU-OXQOHEQNSA-N	0	0	435.906	4.149	20	30		IIEDRN
C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@@H]2CC	ZINC001164698639	719822954	/nfs/dbraw/zinc/82/29/54/719822954.db2.gz	FONYMJKZSKBZIT-ACJLOTCBSA-N	0	0	433.330	4.340	20	30		IIEDRN
N#Cc1cc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COc3ccccn3)C2)cc(Cl)n1	ZINC001164734068	720538780	/nfs/dbraw/zinc/53/87/80/720538780.db2.gz	GYFHZEZWXRMZTG-MGPUTAFESA-N	0	0	434.874	4.001	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)c1	ZINC001164776030	721315608	/nfs/dbraw/zinc/31/56/08/721315608.db2.gz	BINPZBOIYGHHGR-UHFFFAOYSA-N	0	0	429.833	4.353	20	30		IIEDRN
N#Cc1ccc(C(F)(F)N2CCO[C@]3(CCC[C@H]3COCc3ccncc3)C2)nc1Cl	ZINC001164784610	721382766	/nfs/dbraw/zinc/38/27/66/721382766.db2.gz	QVKGRPBNZWRFGE-GHTZIAJQSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1c(Cl)nccc1C(F)(F)N1CCO[C@]2(CCC[C@@H]2COCc2ccncc2)C1	ZINC001164788399	721383243	/nfs/dbraw/zinc/38/32/43/721383243.db2.gz	YXEGVCILZMIJGT-DYESRHJHSA-N	0	0	448.901	4.139	20	30		IIEDRN
N#Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@]3(CCC[C@@H]3COCc3ccncc3)C2)c1	ZINC001164787866	721385030	/nfs/dbraw/zinc/38/50/30/721385030.db2.gz	XUZPUBHBGMWURB-NQIIRXRSSA-N	0	0	448.901	4.139	20	30		IIEDRN
CN(Cc1cccnc1)[C@@H]1CN(c2nc3ccccc3c(Cl)c2C#N)[C@H]2CCCO[C@@H]12	ZINC001164809374	721575587	/nfs/dbraw/zinc/57/55/87/721575587.db2.gz	WQIXBJMQMUKPIT-QZNHQXDQSA-N	0	0	433.943	4.023	20	30		IIEDRN
N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1	ZINC001164804786	721603795	/nfs/dbraw/zinc/60/37/95/721603795.db2.gz	ZFKITNPMCUDGAV-QGZVFWFLSA-N	0	0	448.901	4.249	20	30		IIEDRN
COC(=O)CCN(Cc1ccco1)C(F)(F)c1cc(-c2ccc(C#N)cc2)nnc1Cl	ZINC001165046828	721982937	/nfs/dbraw/zinc/98/29/37/721982937.db2.gz	DMFCDPMIIUTVGX-UHFFFAOYSA-N	0	0	446.841	4.376	20	30		IIEDRN
Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]21	ZINC001164952186	722003380	/nfs/dbraw/zinc/00/33/80/722003380.db2.gz	LBAPUDZRGMSZPD-CVEARBPZSA-N	0	0	425.870	4.328	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)c2cc(C)ccc21	ZINC001164991974	722189437	/nfs/dbraw/zinc/18/94/37/722189437.db2.gz	UCHJJKZOCNBNJJ-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
CC(=O)N1CC2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)c2cc(C)ccc21	ZINC001164992033	722189610	/nfs/dbraw/zinc/18/96/10/722189610.db2.gz	URQAWCSZGMFUPG-UHFFFAOYSA-N	0	0	430.886	4.365	20	30		IIEDRN
C=CCn1c(C)cc(C(=O)CSc2nnc3n2c2ccccc2c(=O)n3CCC)c1C	ZINC000003375415	562935070	/nfs/dbraw/zinc/93/50/70/562935070.db2.gz	PDRVSKFQIIOXCH-UHFFFAOYSA-N	0	0	435.553	4.034	20	30		IIEDRN