smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164700410	719843734	/nfs/dbraw/zinc/84/37/34/719843734.db2.gz	KIQWUJZERWQTKU-BTYIYWSLSA-N	1	1	429.908	2.388	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719954	720216929	/nfs/dbraw/zinc/21/69/29/720216929.db2.gz	UYUGXKWYJFCNHT-BWKNWUBXSA-N	1	1	448.571	2.105	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719954	720216935	/nfs/dbraw/zinc/21/69/35/720216935.db2.gz	UYUGXKWYJFCNHT-BWKNWUBXSA-N	1	1	448.571	2.105	20	30		IEEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C3(C#N)CCOCC3)cn1)CCC2	ZINC001164813899	720235220	/nfs/dbraw/zinc/23/52/20/720235220.db2.gz	REWPECUAVCNPHT-UHFFFAOYSA-N	1	1	436.560	2.461	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1	ZINC001164721554	720308284	/nfs/dbraw/zinc/30/82/84/720308284.db2.gz	HOPHWHAKHJYBTP-DEOSSOPVSA-N	1	1	425.577	2.232	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1	ZINC001164721554	720308292	/nfs/dbraw/zinc/30/82/92/720308292.db2.gz	HOPHWHAKHJYBTP-DEOSSOPVSA-N	1	1	425.577	2.232	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164745827	720723017	/nfs/dbraw/zinc/72/30/17/720723017.db2.gz	VXYSZQOXBANPGP-CHWSQXEVSA-N	1	1	436.850	2.292	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164745827	720723022	/nfs/dbraw/zinc/72/30/22/720723022.db2.gz	VXYSZQOXBANPGP-CHWSQXEVSA-N	1	1	436.850	2.292	20	30		IEEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N	ZINC001164740301	720820338	/nfs/dbraw/zinc/82/03/38/720820338.db2.gz	KBTUVZUMIKUQTH-NNMXDRDESA-N	1	1	449.559	2.409	20	30		IEEDMO
N#Cc1ncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C#N	ZINC001164754279	720916579	/nfs/dbraw/zinc/91/65/79/720916579.db2.gz	VVHNEYYNOJMGAM-RDPSFJRHSA-N	1	1	429.528	2.370	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)cc3C#N)CC2)C1	ZINC001164872871	721280783	/nfs/dbraw/zinc/28/07/83/721280783.db2.gz	GZKCCRHQDLDSAK-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164790497	721432582	/nfs/dbraw/zinc/43/25/82/721432582.db2.gz	YBDCCRMLXQUYLG-XHSDSOJGSA-N	1	1	426.546	2.450	20	30		IEEDMO
CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164790497	721432585	/nfs/dbraw/zinc/43/25/85/721432585.db2.gz	YBDCCRMLXQUYLG-XHSDSOJGSA-N	1	1	426.546	2.450	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(Cl)nc2C#N)CC3)CC1	ZINC001164998195	722231621	/nfs/dbraw/zinc/23/16/21/722231621.db2.gz	ZMZHVKYFFARBKT-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2C[C@@H](C1)[C@@H](C(=O)OCC)[NH2+]2	ZINC001164450050	719003933	/nfs/dbraw/zinc/00/39/33/719003933.db2.gz	QOIBDINCBIUKFE-SCRDCRAPSA-N	1	1	442.850	2.058	20	30		IEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)CC2	ZINC001164686755	719730196	/nfs/dbraw/zinc/73/01/96/719730196.db2.gz	RCDRRGRTGNJWOK-UHFFFAOYSA-N	1	1	427.883	2.341	20	30		IEEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N	ZINC001164740303	720820214	/nfs/dbraw/zinc/82/02/14/720820214.db2.gz	KBTUVZUMIKUQTH-WOIUINJBSA-N	1	1	449.559	2.409	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)c(Cl)cc3C#N)CC2)C1	ZINC001164868558	721274703	/nfs/dbraw/zinc/27/47/03/721274703.db2.gz	BWKBIWKXMVIJQG-UHFFFAOYSA-N	1	1	426.348	2.267	20	30		IEEDMO
COC(=O)c1cc(C#N)cnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164781555	721373695	/nfs/dbraw/zinc/37/36/95/721373695.db2.gz	JVYZUWDJTRWKQF-QHCPKHFHSA-N	1	1	439.516	2.464	20	30		IEEDMO
COC(=O)c1cc(C#N)cnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164781555	721373699	/nfs/dbraw/zinc/37/36/99/721373699.db2.gz	JVYZUWDJTRWKQF-QHCPKHFHSA-N	1	1	439.516	2.464	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164781281	721427591	/nfs/dbraw/zinc/42/75/91/721427591.db2.gz	DBLSNPUCDOACFW-BZUAXINKSA-N	1	1	434.525	2.435	20	30		IEEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899816	721430173	/nfs/dbraw/zinc/43/01/73/721430173.db2.gz	ZEBMUVHLZJDIKI-WIOPSUGQSA-N	1	1	439.604	2.419	20	30		IEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC[C@H]2C1	ZINC001164854078	720863693	/nfs/dbraw/zinc/86/36/93/720863693.db2.gz	IYABYPUMDKXCEI-LQBOVUBWSA-N	1	1	425.508	2.445	20	30		IEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164790470	721432703	/nfs/dbraw/zinc/43/27/03/721432703.db2.gz	YBDCCRMLXQUYLG-BZUAXINKSA-N	1	1	426.546	2.450	20	30		IEEDMO
CCN(CCC#N)c1nc2cc(CN3CC[NH+](C)CC3)sc2c(N2CCOCC2)n1	ZINC001165049289	721987150	/nfs/dbraw/zinc/98/71/50/721987150.db2.gz	VSHALRDFXVFOER-UHFFFAOYSA-N	1	1	429.594	2.015	20	30		IEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@H]2C[C@@H](C1)[C@H](C(=O)OCC)[NH2+]2	ZINC001164450043	719003918	/nfs/dbraw/zinc/00/39/18/719003918.db2.gz	QOIBDINCBIUKFE-OUCADQQQSA-N	1	1	442.850	2.058	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719957	720217283	/nfs/dbraw/zinc/21/72/83/720217283.db2.gz	UYUGXKWYJFCNHT-OFVILXPXSA-N	1	1	448.571	2.105	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719957	720217293	/nfs/dbraw/zinc/21/72/93/720217293.db2.gz	UYUGXKWYJFCNHT-OFVILXPXSA-N	1	1	448.571	2.105	20	30		IEEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N	ZINC001164740299	720820120	/nfs/dbraw/zinc/82/01/20/720820120.db2.gz	KBTUVZUMIKUQTH-CNNODRBYSA-N	1	1	449.559	2.409	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164770771	721202258	/nfs/dbraw/zinc/20/22/58/721202258.db2.gz	OIFRAOCKDRHALH-IPMKNSEASA-N	1	1	445.527	2.102	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3c(C#N)cnc4cnc(Cl)cc43)CC2)C1	ZINC001164869382	721265221	/nfs/dbraw/zinc/26/52/21/721265221.db2.gz	MUFKEALWBOUJLL-UHFFFAOYSA-N	1	1	442.951	2.162	20	30		IEEDMO
COC(=O)c1cc(C#N)cnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164781546	721373592	/nfs/dbraw/zinc/37/35/92/721373592.db2.gz	JVYZUWDJTRWKQF-HSZRJFAPSA-N	1	1	439.516	2.464	20	30		IEEDMO
COC(=O)c1cc(C#N)cnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164781546	721373599	/nfs/dbraw/zinc/37/35/99/721373599.db2.gz	JVYZUWDJTRWKQF-HSZRJFAPSA-N	1	1	439.516	2.464	20	30		IEEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890508	721380054	/nfs/dbraw/zinc/38/00/54/721380054.db2.gz	NRAUGYRBXHGQCR-YWZLYKJASA-N	1	1	437.013	2.489	20	30		IEEDMO
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164781294	721427378	/nfs/dbraw/zinc/42/73/78/721427378.db2.gz	DBLSNPUCDOACFW-XHSDSOJGSA-N	1	1	434.525	2.435	20	30		IEEDMO
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164781294	721427380	/nfs/dbraw/zinc/42/73/80/721427380.db2.gz	DBLSNPUCDOACFW-XHSDSOJGSA-N	1	1	434.525	2.435	20	30		IEEDMO
C[N@@H+](Cc1ccc(N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1)C1CC1	ZINC001164695197	719784319	/nfs/dbraw/zinc/78/43/19/719784319.db2.gz	KAJLNGMIBGWINQ-VWLOTQADSA-N	1	1	447.539	2.186	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719960	720217704	/nfs/dbraw/zinc/21/77/04/720217704.db2.gz	UYUGXKWYJFCNHT-PXDATVDWSA-N	1	1	448.571	2.105	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719960	720217709	/nfs/dbraw/zinc/21/77/09/720217709.db2.gz	UYUGXKWYJFCNHT-PXDATVDWSA-N	1	1	448.571	2.105	20	30		IEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164764458	721103786	/nfs/dbraw/zinc/10/37/86/721103786.db2.gz	HTKJWDRSQBIZRE-RDJZCZTQSA-N	1	1	428.924	2.475	20	30		IEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C[C@H]3C2)cn1	ZINC001164772831	721225915	/nfs/dbraw/zinc/22/59/15/721225915.db2.gz	VEJAIVFQVJKHKI-GUDVDZBRSA-N	1	1	437.548	2.117	20	30		IEEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890501	721379847	/nfs/dbraw/zinc/37/98/47/721379847.db2.gz	NRAUGYRBXHGQCR-FOIQADDNSA-N	1	1	437.013	2.489	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164781290	721427165	/nfs/dbraw/zinc/42/71/65/721427165.db2.gz	DBLSNPUCDOACFW-HRCADAONSA-N	1	1	434.525	2.435	20	30		IEEDMO
C=CC[NH+]1CCN(c2ccc3cc(C(=O)OC)n(S(=O)(=O)c4ccccc4)c3n2)CC1	ZINC001165031342	721867863	/nfs/dbraw/zinc/86/78/63/721867863.db2.gz	DXFZAIASHHIZAX-UHFFFAOYSA-N	1	1	440.525	2.368	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccc(C#N)c(Cl)n2)CC3)CC1	ZINC001164997612	722229347	/nfs/dbraw/zinc/22/93/47/722229347.db2.gz	QWOCOQWXEVGRAC-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccncc4)ccc2C#N)CC3)CC1	ZINC001165001123	722236998	/nfs/dbraw/zinc/23/69/98/722236998.db2.gz	CXPJJIMOPNFPHM-UHFFFAOYSA-N	1	1	426.528	2.162	20	30		IEEDMO
C[N@@H+](Cc1ccc(N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1)C1CC1	ZINC001164695196	719783441	/nfs/dbraw/zinc/78/34/41/719783441.db2.gz	KAJLNGMIBGWINQ-RUZDIDTESA-N	1	1	447.539	2.186	20	30		IEEDMO
N#Cc1ncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C#N	ZINC001164754278	720915922	/nfs/dbraw/zinc/91/59/22/720915922.db2.gz	VVHNEYYNOJMGAM-HYBUGGRVSA-N	1	1	429.528	2.370	20	30		IEEDMO
N#Cc1ncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C#N	ZINC001164754277	720917401	/nfs/dbraw/zinc/91/74/01/720917401.db2.gz	VVHNEYYNOJMGAM-GBXCKJPGSA-N	1	1	429.528	2.370	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164770758	721201113	/nfs/dbraw/zinc/20/11/13/721201113.db2.gz	OIFRAOCKDRHALH-GBESFXJTSA-N	1	1	445.527	2.102	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)ncc2C#N)CC3)CC1	ZINC001164996815	722234326	/nfs/dbraw/zinc/23/43/26/722234326.db2.gz	JXFHGYAVAIFZGF-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccccc4F)nn3)CC[C@H]2C1	ZINC001164854079	720863433	/nfs/dbraw/zinc/86/34/33/720863433.db2.gz	IYABYPUMDKXCEI-LRXVAGHRSA-N	1	1	425.508	2.445	20	30		IEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1	ZINC001164772833	721224632	/nfs/dbraw/zinc/22/46/32/721224632.db2.gz	VEJAIVFQVJKHKI-QYZOEREBSA-N	1	1	437.548	2.117	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)CC2)C1	ZINC001164877113	721262692	/nfs/dbraw/zinc/26/26/92/721262692.db2.gz	QCKANFWURWHAPR-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C[C@@H]3C2)cn1	ZINC001164772830	721224961	/nfs/dbraw/zinc/22/49/61/721224961.db2.gz	VEJAIVFQVJKHKI-CEXWTWQISA-N	1	1	437.548	2.117	20	30		IEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C[C@H]3C2)cn1	ZINC001164772832	721225413	/nfs/dbraw/zinc/22/54/13/721225413.db2.gz	VEJAIVFQVJKHKI-QRVBRYPASA-N	1	1	437.548	2.117	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cnc(Cl)c(C#N)c3)CC2)C1	ZINC001164869404	721274518	/nfs/dbraw/zinc/27/45/18/721274518.db2.gz	NNPBOQVCFRPPQJ-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3nc(Cl)ccc3C#N)CC2)C1	ZINC001164872778	721276016	/nfs/dbraw/zinc/27/60/16/721276016.db2.gz	FVQXZGFIYIPVAB-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899813	721429974	/nfs/dbraw/zinc/42/99/74/721429974.db2.gz	ZEBMUVHLZJDIKI-RCZVLFRGSA-N	1	1	439.604	2.419	20	30		IEEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899811	721430249	/nfs/dbraw/zinc/43/02/49/721430249.db2.gz	ZEBMUVHLZJDIKI-DHLKQENFSA-N	1	1	439.604	2.419	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(F)cc4)ccc3C#N)C2)C1	ZINC001164717210	720216607	/nfs/dbraw/zinc/21/66/07/720216607.db2.gz	GPDNIGVOPGBIAI-DEOSSOPVSA-N	1	1	437.519	2.424	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(-c4ccc(F)cc4)ccc3C#N)C2)C1	ZINC001164717210	720216618	/nfs/dbraw/zinc/21/66/18/720216618.db2.gz	GPDNIGVOPGBIAI-DEOSSOPVSA-N	1	1	437.519	2.424	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C#C[Si](C)(C)C)C2)C1	ZINC001164720567	720272638	/nfs/dbraw/zinc/27/26/38/720272638.db2.gz	BARIWUUDZURYGK-QHCPKHFHSA-N	1	1	428.653	2.284	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C#C[Si](C)(C)C)C2)C1	ZINC001164720567	720272649	/nfs/dbraw/zinc/27/26/49/720272649.db2.gz	BARIWUUDZURYGK-QHCPKHFHSA-N	1	1	428.653	2.284	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C#C[Si](C)(C)C)ccn3)CC2)C1	ZINC001164879030	721291923	/nfs/dbraw/zinc/29/19/23/721291923.db2.gz	UJBMEUFSCBWZTO-UHFFFAOYSA-N	1	1	428.653	2.318	20	30		IEEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890505	721379968	/nfs/dbraw/zinc/37/99/68/721379968.db2.gz	NRAUGYRBXHGQCR-MGPUTAFESA-N	1	1	437.013	2.489	20	30		IEEDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C#N)cc1C(=O)OC)CC2	ZINC001164788757	721470852	/nfs/dbraw/zinc/47/08/52/721470852.db2.gz	JQGRVEXYVWSING-FQEVSTJZSA-N	1	1	442.560	2.474	20	30		IEEDMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164700413	719843806	/nfs/dbraw/zinc/84/38/06/719843806.db2.gz	KIQWUJZERWQTKU-YCRPNKLZSA-N	1	1	429.908	2.388	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719963	720217954	/nfs/dbraw/zinc/21/79/54/720217954.db2.gz	UYUGXKWYJFCNHT-SQJMNOBHSA-N	1	1	448.571	2.105	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)C2)C1	ZINC001164719963	720217965	/nfs/dbraw/zinc/21/79/65/720217965.db2.gz	UYUGXKWYJFCNHT-SQJMNOBHSA-N	1	1	448.571	2.105	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164745828	720724437	/nfs/dbraw/zinc/72/44/37/720724437.db2.gz	VXYSZQOXBANPGP-OLZOCXBDSA-N	1	1	436.850	2.292	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164745828	720724447	/nfs/dbraw/zinc/72/44/47/720724447.db2.gz	VXYSZQOXBANPGP-OLZOCXBDSA-N	1	1	436.850	2.292	20	30		IEEDMO
N#C[C@H](c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1)c1ccccc1F	ZINC001164737511	720725572	/nfs/dbraw/zinc/72/55/72/720725572.db2.gz	CCJFMQOUXAZQEN-QKLQHJQFSA-N	1	1	431.475	2.403	20	30		IEEDMO
N#C[C@H](c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1)c1ccccc1F	ZINC001164737513	720725897	/nfs/dbraw/zinc/72/58/97/720725897.db2.gz	CCJFMQOUXAZQEN-ZWOKBUDYSA-N	1	1	431.475	2.403	20	30		IEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164764451	721103134	/nfs/dbraw/zinc/10/31/34/721103134.db2.gz	HTKJWDRSQBIZRE-DOTOQJQBSA-N	1	1	428.924	2.475	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164770764	721201620	/nfs/dbraw/zinc/20/16/20/721201620.db2.gz	OIFRAOCKDRHALH-GUDVDZBRSA-N	1	1	445.527	2.102	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccc(Cl)nc3C#N)CC2)C1	ZINC001164870300	721269638	/nfs/dbraw/zinc/26/96/38/721269638.db2.gz	VMHODICGVHBYPG-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)ncc3C#N)CC2)C1	ZINC001164872924	721275228	/nfs/dbraw/zinc/27/52/28/721275228.db2.gz	IKPTZVKZWNTMDE-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCOCC5)cn4)C3)O2)CC1	ZINC001164899814	721430143	/nfs/dbraw/zinc/43/01/43/721430143.db2.gz	ZEBMUVHLZJDIKI-RDGATRHJSA-N	1	1	439.604	2.419	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2c(C#N)cnc4cnc(Cl)cc42)CC3)CC1	ZINC001164996595	722230548	/nfs/dbraw/zinc/23/05/48/722230548.db2.gz	KJTKVENRQWGKAF-UHFFFAOYSA-N	1	1	434.935	2.302	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C#C[Si](C)(C)C)C2)C1	ZINC001164720565	720272040	/nfs/dbraw/zinc/27/20/40/720272040.db2.gz	BARIWUUDZURYGK-HSZRJFAPSA-N	1	1	428.653	2.284	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C#C[Si](C)(C)C)C2)C1	ZINC001164720565	720272059	/nfs/dbraw/zinc/27/20/59/720272059.db2.gz	BARIWUUDZURYGK-HSZRJFAPSA-N	1	1	428.653	2.284	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(C#N)cc(Cl)n2)CC3)CC1	ZINC001164997131	722234522	/nfs/dbraw/zinc/23/45/22/722234522.db2.gz	LJMHXGGIQGOCDH-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C#N)c4cc([N+](=O)[O-])ccc4n2)CC3)CC1	ZINC001165001093	722239614	/nfs/dbraw/zinc/23/96/14/722239614.db2.gz	BZBHUSNGDKNEPV-UHFFFAOYSA-N	1	1	444.499	2.162	20	30		IEEDMO
CCOC(=O)c1cc(C)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1C#N	ZINC001164812648	720217743	/nfs/dbraw/zinc/21/77/43/720217743.db2.gz	HVBRIWIGSVUYKA-UHFFFAOYSA-N	1	1	438.532	2.246	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164745829	720723620	/nfs/dbraw/zinc/72/36/20/720723620.db2.gz	VXYSZQOXBANPGP-QWHCGFSZSA-N	1	1	436.850	2.292	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164745829	720723624	/nfs/dbraw/zinc/72/36/24/720723624.db2.gz	VXYSZQOXBANPGP-QWHCGFSZSA-N	1	1	436.850	2.292	20	30		IEEDMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@H]2C1	ZINC001164861410	720863483	/nfs/dbraw/zinc/86/34/83/720863483.db2.gz	XWQUCVCZCQJZHK-XJKSGUPXSA-N	1	1	430.883	2.334	20	30		IEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164764456	721102990	/nfs/dbraw/zinc/10/29/90/721102990.db2.gz	HTKJWDRSQBIZRE-NVXWUHKLSA-N	1	1	428.924	2.475	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164770722	721201058	/nfs/dbraw/zinc/20/10/58/721201058.db2.gz	OIFRAOCKDRHALH-CEXWTWQISA-N	1	1	445.527	2.102	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)C1	ZINC001164872461	721284407	/nfs/dbraw/zinc/28/44/07/721284407.db2.gz	DNEAFSVEUMPRPY-UHFFFAOYSA-N	1	1	434.544	2.022	20	30		IEEDMO
N#C[C@H](c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1)c1ccccc1F	ZINC001164737510	720726454	/nfs/dbraw/zinc/72/64/54/720726454.db2.gz	CCJFMQOUXAZQEN-HLIPFELVSA-N	1	1	431.475	2.403	20	30		IEEDMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164861404	720863570	/nfs/dbraw/zinc/86/35/70/720863570.db2.gz	XWQUCVCZCQJZHK-CZUORRHYSA-N	1	1	430.883	2.334	20	30		IEEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164764460	721103895	/nfs/dbraw/zinc/10/38/95/721103895.db2.gz	HTKJWDRSQBIZRE-WBVHZDCISA-N	1	1	428.924	2.475	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cc(Cl)c3C#N)CC2)C1	ZINC001164879192	721291461	/nfs/dbraw/zinc/29/14/61/721291461.db2.gz	WOYYZUHRRRHCAE-UHFFFAOYSA-N	1	1	426.348	2.267	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC3)CC1	ZINC001164997236	722235912	/nfs/dbraw/zinc/23/59/12/722235912.db2.gz	OKZRNMINLWUZMK-UHFFFAOYSA-N	1	1	448.575	2.085	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164745830	720723685	/nfs/dbraw/zinc/72/36/85/720723685.db2.gz	VXYSZQOXBANPGP-STQMWFEESA-N	1	1	436.850	2.292	20	30		IEEDMO
COc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164745830	720723690	/nfs/dbraw/zinc/72/36/90/720723690.db2.gz	VXYSZQOXBANPGP-STQMWFEESA-N	1	1	436.850	2.292	20	30		IEEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N	ZINC001164740305	720820395	/nfs/dbraw/zinc/82/03/95/720820395.db2.gz	KBTUVZUMIKUQTH-XQBPLPMBSA-N	1	1	449.559	2.409	20	30		IEEDMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@H]2C1	ZINC001164861398	720863420	/nfs/dbraw/zinc/86/34/20/720863420.db2.gz	XWQUCVCZCQJZHK-BBRMVZONSA-N	1	1	430.883	2.334	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3ccnc(Cl)c3C#N)CC2)C1	ZINC001164868932	721263346	/nfs/dbraw/zinc/26/33/46/721263346.db2.gz	GJHRITVFVGOZKN-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)CC2)C1	ZINC001164872474	721275082	/nfs/dbraw/zinc/27/50/82/721275082.db2.gz	DZEGRVLCGYAJDR-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncccc3C#C[Si](C)(C)C)CC2)C1	ZINC001164872954	721279276	/nfs/dbraw/zinc/27/92/76/721279276.db2.gz	JJBDPWVNIGJQLS-UHFFFAOYSA-N	1	1	428.653	2.318	20	30		IEEDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C#N)cc1C(=O)OC)CC2	ZINC001164788758	721470639	/nfs/dbraw/zinc/47/06/39/721470639.db2.gz	JQGRVEXYVWSING-HXUWFJFHSA-N	1	1	442.560	2.474	20	30		IEEDMO
C=CC[NH+]1CCN(c2nc(CN3CCOCC3)nc3sc(C(=O)OCC)c(C)c32)CC1	ZINC001165032552	721870641	/nfs/dbraw/zinc/87/06/41/721870641.db2.gz	YHGYUWFWYQLJJR-UHFFFAOYSA-N	1	1	445.589	2.317	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)cc2C#N)CC3)CC1	ZINC001164996348	722236029	/nfs/dbraw/zinc/23/60/29/722236029.db2.gz	CKRBEVXRWCADOT-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164700412	719843952	/nfs/dbraw/zinc/84/39/52/719843952.db2.gz	KIQWUJZERWQTKU-VFNWGFHPSA-N	1	1	429.908	2.388	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(F)cc4)ccc3C#N)C2)C1	ZINC001164717211	720217732	/nfs/dbraw/zinc/21/77/32/720217732.db2.gz	GPDNIGVOPGBIAI-XMMPIXPASA-N	1	1	437.519	2.424	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(-c4ccc(F)cc4)ccc3C#N)C2)C1	ZINC001164717211	720217738	/nfs/dbraw/zinc/21/77/38/720217738.db2.gz	GPDNIGVOPGBIAI-XMMPIXPASA-N	1	1	437.519	2.424	20	30		IEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccccc4F)nn3)CC[C@@H]2C1	ZINC001164854080	720863597	/nfs/dbraw/zinc/86/35/97/720863597.db2.gz	IYABYPUMDKXCEI-SFGWALBWSA-N	1	1	425.508	2.445	20	30		IEEDMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(OC)nc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164861401	720863664	/nfs/dbraw/zinc/86/36/64/720863664.db2.gz	XWQUCVCZCQJZHK-CJNGLKHVSA-N	1	1	430.883	2.334	20	30		IEEDMO
N#Cc1ncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C#N	ZINC001164754280	720917258	/nfs/dbraw/zinc/91/72/58/720917258.db2.gz	VVHNEYYNOJMGAM-YKSBVNFPSA-N	1	1	429.528	2.370	20	30		IEEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(Cl)nc(C#N)c3)CC2)C1	ZINC001164870336	721272603	/nfs/dbraw/zinc/27/26/03/721272603.db2.gz	WCKZXTGISRRPHR-UHFFFAOYSA-N	1	1	441.910	2.159	20	30		IEEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164890507	721380155	/nfs/dbraw/zinc/38/01/55/721380155.db2.gz	NRAUGYRBXHGQCR-QRWLVFNGSA-N	1	1	437.013	2.489	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164781292	721427621	/nfs/dbraw/zinc/42/76/21/721427621.db2.gz	DBLSNPUCDOACFW-OWCLPIDISA-N	1	1	434.525	2.435	20	30		IEEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164781292	721427624	/nfs/dbraw/zinc/42/76/24/721427624.db2.gz	DBLSNPUCDOACFW-OWCLPIDISA-N	1	1	434.525	2.435	20	30		IEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164790495	721432990	/nfs/dbraw/zinc/43/29/90/721432990.db2.gz	YBDCCRMLXQUYLG-OWCLPIDISA-N	1	1	426.546	2.450	20	30		IEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164790495	721432991	/nfs/dbraw/zinc/43/29/91/721432991.db2.gz	YBDCCRMLXQUYLG-OWCLPIDISA-N	1	1	426.546	2.450	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2ccnc(Cl)c2C#N)CC3)CC1	ZINC001164997000	722230261	/nfs/dbraw/zinc/23/02/61/722230261.db2.gz	LVRZJFXSDIKZEI-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nccc(C#C[Si](C)(C)C)c1C(=O)OC)CC2	ZINC001164684471	719727875	/nfs/dbraw/zinc/72/78/75/719727875.db2.gz	HGYPECYFRXVKTN-UHFFFAOYSA-N	1	1	442.636	2.278	20	30		IEEDMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164700411	719843853	/nfs/dbraw/zinc/84/38/53/719843853.db2.gz	KIQWUJZERWQTKU-QVKFZJNVSA-N	1	1	429.908	2.388	20	30		IEEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1	ZINC001164721556	720308013	/nfs/dbraw/zinc/30/80/13/720308013.db2.gz	HOPHWHAKHJYBTP-XMMPIXPASA-N	1	1	425.577	2.232	20	30		IEEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)CCCC4(C)C)C2)C1	ZINC001164721556	720308023	/nfs/dbraw/zinc/30/80/23/720308023.db2.gz	HOPHWHAKHJYBTP-XMMPIXPASA-N	1	1	425.577	2.232	20	30		IEEDMO
N#C[C@H](c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1)c1ccccc1F	ZINC001164737512	720725302	/nfs/dbraw/zinc/72/53/02/720725302.db2.gz	CCJFMQOUXAZQEN-UWVAXJGDSA-N	1	1	431.475	2.403	20	30		IEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC[C@@H]2C1	ZINC001164854081	720863732	/nfs/dbraw/zinc/86/37/32/720863732.db2.gz	IYABYPUMDKXCEI-ZWCUEREDSA-N	1	1	425.508	2.445	20	30		IEEDMO
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164790493	721432815	/nfs/dbraw/zinc/43/28/15/721432815.db2.gz	YBDCCRMLXQUYLG-HRCADAONSA-N	1	1	426.546	2.450	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(C#N)c2)CC3)CC1	ZINC001164997783	722233064	/nfs/dbraw/zinc/23/30/64/722233064.db2.gz	WSGDTCMIRWMLHB-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO
C[NH+]1CCN(c2ncnc3c2CCN(C(F)(F)c2nc(Cl)ccc2C#N)CC3)CC1	ZINC001164997642	722234065	/nfs/dbraw/zinc/23/40/65/722234065.db2.gz	STMZRUOGVGVVLB-UHFFFAOYSA-N	1	1	433.894	2.299	20	30		IEEDMO