smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC	ZINC001164808460	720095669	/nfs/dbraw/zinc/09/56/69/720095669.db2.gz	HMHFHELYTOEGGL-VGSWGCGISA-N	1	1	432.952	2.968	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1	ZINC001164711194	720141530	/nfs/dbraw/zinc/14/15/30/720141530.db2.gz	FYGVKVCFQHJMLL-OAQYLSRUSA-N	1	1	435.572	2.900	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164813926	720209026	/nfs/dbraw/zinc/20/90/26/720209026.db2.gz	QZVLROKZVWASSI-UHFFFAOYSA-N	1	1	433.969	2.531	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)cc1C#N)CCC2	ZINC001164814533	720230242	/nfs/dbraw/zinc/23/02/42/720230242.db2.gz	XGPVYJLHZZBTRL-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
N#CCc1ccc(OCc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)cc1	ZINC001164743475	720769170	/nfs/dbraw/zinc/76/91/70/720769170.db2.gz	QJFYQGQABXWHFV-FYYLOGMGSA-N	1	1	442.523	2.859	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744756	720808866	/nfs/dbraw/zinc/80/88/66/720808866.db2.gz	IFPUYIVSXGZQGR-ZMSDIMECSA-N	1	1	444.996	2.694	20	30		IFEDMO
N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc12	ZINC001164757208	720900173	/nfs/dbraw/zinc/90/01/73/720900173.db2.gz	UJRCYKMSHPHFJC-OFVILXPXSA-N	1	1	443.555	2.980	20	30		IFEDMO
COc1cc(C(F)(F)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771388	721159729	/nfs/dbraw/zinc/15/97/29/721159729.db2.gz	SMLCXAQYGHIJNK-HUUCEWRRSA-N	1	1	436.894	2.852	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891032	721383868	/nfs/dbraw/zinc/38/38/68/721383868.db2.gz	QDDMFDVCAORAMS-PXNSSMCTSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890514	721387727	/nfs/dbraw/zinc/38/77/27/721387727.db2.gz	NRNWSXAPNCCIMV-UZLBHIALSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887779	721390796	/nfs/dbraw/zinc/39/07/96/721390796.db2.gz	IIHFKWUKBFJARV-MBSDFSHPSA-N	1	1	440.979	2.920	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883580	721415819	/nfs/dbraw/zinc/41/58/19/721415819.db2.gz	AZYJQXZHSCVGOP-XLIONFOSSA-N	1	1	439.938	2.917	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2	ZINC001164789882	721457720	/nfs/dbraw/zinc/45/77/20/721457720.db2.gz	YCYVMLLBPXNPCB-FQEVSTJZSA-N	1	1	429.521	2.595	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164795312	721524149	/nfs/dbraw/zinc/52/41/49/721524149.db2.gz	MFNWSXFCWJZWOD-ULQDDVLXSA-N	1	1	430.965	2.987	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164795312	721524150	/nfs/dbraw/zinc/52/41/50/721524150.db2.gz	MFNWSXFCWJZWOD-ULQDDVLXSA-N	1	1	430.965	2.987	20	30		IFEDMO
C=CC[NH+]1CCN(c2nc(Cl)nc3c2ccn3S(=O)(=O)c2ccc(C)cc2)CC1	ZINC001165033130	721865152	/nfs/dbraw/zinc/86/51/52/721865152.db2.gz	CRUFPBRCYCSBLP-UHFFFAOYSA-N	1	1	431.949	2.938	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979163	722099085	/nfs/dbraw/zinc/09/90/85/722099085.db2.gz	HFRQTTZJUVJVCY-NVXWUHKLSA-N	1	1	430.965	2.846	20	30		IFEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732021	720441284	/nfs/dbraw/zinc/44/12/84/720441284.db2.gz	MTVIGQSNBDKDKL-UIFIKXQLSA-N	1	1	428.496	2.658	20	30		IFEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732006	720442396	/nfs/dbraw/zinc/44/23/96/720442396.db2.gz	MTVIGQSNBDKDKL-DUXKGJEZSA-N	1	1	428.496	2.658	20	30		IFEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164752593	720802675	/nfs/dbraw/zinc/80/26/75/720802675.db2.gz	ZIIJHCODRIRLOS-AEFFLSMTSA-N	1	1	449.902	2.926	20	30		IFEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164750360	720803176	/nfs/dbraw/zinc/80/31/76/720803176.db2.gz	VKGUORFIWUYJFJ-DLBZAZTESA-N	1	1	449.902	2.926	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743618	720843920	/nfs/dbraw/zinc/84/39/20/720843920.db2.gz	JQGYLDOCABWENV-MDNUFGMLSA-N	1	1	447.587	2.624	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@@H]2C1	ZINC001164858192	720858386	/nfs/dbraw/zinc/85/83/86/720858386.db2.gz	RMQVEDWTAILTDN-VFNWGFHPSA-N	1	1	445.926	2.981	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@@H]2C1	ZINC001164861519	720863470	/nfs/dbraw/zinc/86/34/70/720863470.db2.gz	XWZXOEOHPXGKMF-UYAOXDASSA-N	1	1	439.585	2.911	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866586	721069874	/nfs/dbraw/zinc/06/98/74/721069874.db2.gz	FSNYPSGXCJMKJE-MSOLQXFVSA-N	1	1	441.919	2.658	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887280	721401227	/nfs/dbraw/zinc/40/12/27/721401227.db2.gz	LUBCRMSNDMRRPY-OXJNMPFZSA-N	1	1	439.938	2.917	20	30		IFEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164976298	722108418	/nfs/dbraw/zinc/10/84/18/722108418.db2.gz	LBXFETAKHJQTIU-SIKLNZKXSA-N	1	1	435.528	2.561	20	30		IFEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(COc3ccc(CC#N)cc3)cn1)CC2	ZINC001164690319	719742167	/nfs/dbraw/zinc/74/21/67/719742167.db2.gz	ZVGBFGAJZKIPJD-UHFFFAOYSA-N	1	1	433.556	2.907	20	30		IFEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)CC2	ZINC001164689326	719754985	/nfs/dbraw/zinc/75/49/85/719754985.db2.gz	BAUTZJMNJGNXII-UHFFFAOYSA-N	1	1	440.935	2.975	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812273	720091764	/nfs/dbraw/zinc/09/17/64/720091764.db2.gz	QBPSHVWXBIHDFJ-LIRRHRJNSA-N	1	1	425.986	2.845	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@H](COC)[N@@H+](Cc3ccccn3)C2)CC1	ZINC001164710791	720152648	/nfs/dbraw/zinc/15/26/48/720152648.db2.gz	CRJRENXONGVXAE-LJQANCHMSA-N	1	1	431.544	2.685	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1[C@H](C#N)C(=O)OC)C2	ZINC001164816732	720170594	/nfs/dbraw/zinc/17/05/94/720170594.db2.gz	MLODAXUYCIKDBR-XHNVNVPESA-N	1	1	449.555	2.595	20	30		IFEDMO
CSc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164741676	720724066	/nfs/dbraw/zinc/72/40/66/720724066.db2.gz	MVOSELGPULJHCX-QZTJIDSGSA-N	1	1	445.552	2.869	20	30		IFEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747728	720844887	/nfs/dbraw/zinc/84/48/87/720844887.db2.gz	RMUYUJSBSKJUHJ-AOHZBQACSA-N	1	1	440.555	2.986	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164868441	721066648	/nfs/dbraw/zinc/06/66/48/721066648.db2.gz	OLXOBFRJSGKNFI-HUUCEWRRSA-N	1	1	434.953	2.535	20	30		IFEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865779	721120596	/nfs/dbraw/zinc/12/05/96/721120596.db2.gz	PLEDDEHFEAQVRV-UXHICEINSA-N	1	1	434.544	2.813	20	30		IFEDMO
N#Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869717	721182168	/nfs/dbraw/zinc/18/21/68/721182168.db2.gz	AFPLEJDPKKXVOI-PMACEKPBSA-N	1	1	430.468	2.889	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886667	721415470	/nfs/dbraw/zinc/41/54/70/721415470.db2.gz	KLRLOUQUNIOMFE-YLJYHZDGSA-N	1	1	439.938	2.917	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C#N)c(C#N)nc1Cl)CC2	ZINC001164788675	721459800	/nfs/dbraw/zinc/45/98/00/721459800.db2.gz	VMMIEXFYMFCZEP-KRWDZBQOSA-N	1	1	444.967	2.607	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164790640	721470097	/nfs/dbraw/zinc/47/00/97/721470097.db2.gz	SYHAHFLAFRXXLF-JOCHJYFZSA-N	1	1	440.588	2.760	20	30		IFEDMO
COc1cc(C(F)(F)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(C#N)c(Cl)n1	ZINC001165011046	721739930	/nfs/dbraw/zinc/73/99/30/721739930.db2.gz	TTWZYDFQMVQKGO-UHFFFAOYSA-N	1	1	441.910	2.683	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820100	720186694	/nfs/dbraw/zinc/18/66/94/720186694.db2.gz	ZMOXSRWVIJWSPW-GLDPYIMESA-N	1	1	441.576	2.610	20	30		IFEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164750362	720802757	/nfs/dbraw/zinc/80/27/57/720802757.db2.gz	VKGUORFIWUYJFJ-IAGOWNOFSA-N	1	1	449.902	2.926	20	30		IFEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164752604	720802854	/nfs/dbraw/zinc/80/28/54/720802854.db2.gz	ZIIJHCODRIRLOS-WMZOPIPTSA-N	1	1	449.902	2.926	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744752	720808881	/nfs/dbraw/zinc/80/88/81/720808881.db2.gz	IFPUYIVSXGZQGR-YQQAZPJKSA-N	1	1	444.996	2.694	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@H]2C1	ZINC001164856505	720834804	/nfs/dbraw/zinc/83/48/04/720834804.db2.gz	WRRTXMDJFPSKJU-WFASDCNBSA-N	1	1	435.302	2.978	20	30		IFEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747740	720845145	/nfs/dbraw/zinc/84/51/45/720845145.db2.gz	RMUYUJSBSKJUHJ-WPFOTENUSA-N	1	1	440.555	2.986	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@H]2C1	ZINC001164858185	720857524	/nfs/dbraw/zinc/85/75/24/720857524.db2.gz	RMQVEDWTAILTDN-BTYIYWSLSA-N	1	1	445.926	2.981	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@H]2C1	ZINC001164852886	720888697	/nfs/dbraw/zinc/88/86/97/720888697.db2.gz	AGEIRWTYSPCUMK-PXNSSMCTSA-N	1	1	443.935	2.967	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@H]2C1	ZINC001164858478	720889372	/nfs/dbraw/zinc/88/93/72/720889372.db2.gz	KYKHLXDPBIEJQS-FXAWDEMLSA-N	1	1	443.935	2.967	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@@H]2C1	ZINC001164853757	720889659	/nfs/dbraw/zinc/88/96/59/720889659.db2.gz	CQJLLILNKJCXQD-YLJYHZDGSA-N	1	1	443.935	2.967	20	30		IFEDMO
N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc12	ZINC001164757209	720899890	/nfs/dbraw/zinc/89/98/90/720899890.db2.gz	UJRCYKMSHPHFJC-PXDATVDWSA-N	1	1	443.555	2.980	20	30		IFEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865778	721121903	/nfs/dbraw/zinc/12/19/03/721121903.db2.gz	PLEDDEHFEAQVRV-PMACEKPBSA-N	1	1	434.544	2.813	20	30		IFEDMO
COc1cc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771386	721160334	/nfs/dbraw/zinc/16/03/34/721160334.db2.gz	SMLCXAQYGHIJNK-CABCVRRESA-N	1	1	436.894	2.852	20	30		IFEDMO
N#Cc1cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869720	721183555	/nfs/dbraw/zinc/18/35/55/721183555.db2.gz	AFPLEJDPKKXVOI-UXHICEINSA-N	1	1	430.468	2.889	20	30		IFEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C#N)c4cc(Cl)ccc4n3)CC2)C1	ZINC001164879612	721291035	/nfs/dbraw/zinc/29/10/35/721291035.db2.gz	XFBXKCZUABEQOV-UHFFFAOYSA-N	1	1	441.963	2.767	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883576	721415345	/nfs/dbraw/zinc/41/53/45/721415345.db2.gz	AZYJQXZHSCVGOP-FXAWDEMLSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896807	721425965	/nfs/dbraw/zinc/42/59/65/721425965.db2.gz	SDLVMIMVJZRMHT-PXNSSMCTSA-N	1	1	439.938	2.917	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)c(C#N)cc1F)CC2	ZINC001164788781	721464966	/nfs/dbraw/zinc/46/49/66/721464966.db2.gz	KQCJXAVFFFGSCI-IBGZPJMESA-N	1	1	432.540	2.835	20	30		IFEDMO
CCCc1cc(C#N)c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1Cl	ZINC001164996816	722234905	/nfs/dbraw/zinc/23/49/05/722234905.db2.gz	JXPWTMKSOMBOLP-UHFFFAOYSA-N	1	1	425.968	2.706	20	30		IFEDMO
CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CC2	ZINC001164683179	719700023	/nfs/dbraw/zinc/70/00/23/719700023.db2.gz	IXWBTMQRIDLBFD-UHFFFAOYSA-N	1	1	432.302	2.986	20	30		IFEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)CC2	ZINC001164690063	719756239	/nfs/dbraw/zinc/75/62/39/719756239.db2.gz	RTIWBZKJXSLGSS-UHFFFAOYSA-N	1	1	440.935	2.975	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@@H](COC)[N@@H+](Cc3ccccn3)C2)CC1	ZINC001164710790	720153586	/nfs/dbraw/zinc/15/35/86/720153586.db2.gz	CRJRENXONGVXAE-IBGZPJMESA-N	1	1	431.544	2.685	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1[C@H](C#N)C(=O)OC)C2	ZINC001164816730	720170488	/nfs/dbraw/zinc/17/04/88/720170488.db2.gz	MLODAXUYCIKDBR-MHPIHPPYSA-N	1	1	449.555	2.595	20	30		IFEDMO
N#CCc1ccc(OCc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)cc1	ZINC001164743476	720768994	/nfs/dbraw/zinc/76/89/94/720768994.db2.gz	QJFYQGQABXWHFV-GGAORHGYSA-N	1	1	442.523	2.859	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164856501	720834975	/nfs/dbraw/zinc/83/49/75/720834975.db2.gz	WRRTXMDJFPSKJU-IUODEOHRSA-N	1	1	435.302	2.978	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743616	720843930	/nfs/dbraw/zinc/84/39/30/720843930.db2.gz	JQGYLDOCABWENV-AKIFATBCSA-N	1	1	447.587	2.624	20	30		IFEDMO
N#Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750712	720881528	/nfs/dbraw/zinc/88/15/28/720881528.db2.gz	JOQGGRZWZIANLZ-NOZRDPDXSA-N	1	1	428.540	2.975	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001164858496	720889366	/nfs/dbraw/zinc/88/93/66/720889366.db2.gz	KYKHLXDPBIEJQS-YLJYHZDGSA-N	1	1	443.935	2.967	20	30		IFEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865781	721121132	/nfs/dbraw/zinc/12/11/32/721121132.db2.gz	PLEDDEHFEAQVRV-WOJBJXKFSA-N	1	1	434.544	2.813	20	30		IFEDMO
N#Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869723	721183095	/nfs/dbraw/zinc/18/30/95/721183095.db2.gz	AFPLEJDPKKXVOI-WOJBJXKFSA-N	1	1	430.468	2.889	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883906	721409643	/nfs/dbraw/zinc/40/96/43/721409643.db2.gz	CQYRVDLDCNYZEV-AZUAARDMSA-N	1	1	439.938	2.917	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2	ZINC001164790054	721459347	/nfs/dbraw/zinc/45/93/47/721459347.db2.gz	ZFYQYZYEQPCQDV-IBGZPJMESA-N	1	1	429.521	2.595	20	30		IFEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@H]2CCCO[C@@H]12	ZINC001164803015	721573966	/nfs/dbraw/zinc/57/39/66/721573966.db2.gz	JECIBTVSJMCFJK-WMTXJRDZSA-N	1	1	433.556	2.917	20	30		IFEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)CC2	ZINC001164652819	719316401	/nfs/dbraw/zinc/31/64/01/719316401.db2.gz	QZKPUMPCXVZFJA-QGZVFWFLSA-N	1	1	439.564	2.827	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812268	720091069	/nfs/dbraw/zinc/09/10/69/720091069.db2.gz	QBPSHVWXBIHDFJ-IFXJQAMLSA-N	1	1	425.986	2.845	20	30		IFEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812266	720091200	/nfs/dbraw/zinc/09/12/00/720091200.db2.gz	QBPSHVWXBIHDFJ-AUUYWEPGSA-N	1	1	425.986	2.845	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC	ZINC001164808459	720094897	/nfs/dbraw/zinc/09/48/97/720094897.db2.gz	HMHFHELYTOEGGL-VGOFRKELSA-N	1	1	432.952	2.968	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820115	720187585	/nfs/dbraw/zinc/18/75/85/720187585.db2.gz	ZMOXSRWVIJWSPW-XLNZFTOWSA-N	1	1	441.576	2.610	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820095	720187849	/nfs/dbraw/zinc/18/78/49/720187849.db2.gz	ZMOXSRWVIJWSPW-AXHZCLLHSA-N	1	1	441.576	2.610	20	30		IFEDMO
N#CCc1ccc(OCc2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)cc1	ZINC001164743478	720769627	/nfs/dbraw/zinc/76/96/27/720769627.db2.gz	QJFYQGQABXWHFV-JTHBVZDNSA-N	1	1	442.523	2.859	20	30		IFEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001164747876	720802810	/nfs/dbraw/zinc/80/28/10/720802810.db2.gz	PQAIJMCFPIXJTM-AEFFLSMTSA-N	1	1	449.902	2.926	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@H]2C1	ZINC001164856503	720834591	/nfs/dbraw/zinc/83/45/91/720834591.db2.gz	WRRTXMDJFPSKJU-SWLSCSKDSA-N	1	1	435.302	2.978	20	30		IFEDMO
N#Cc1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164755441	720869102	/nfs/dbraw/zinc/86/91/02/720869102.db2.gz	WYKDVOPUGHVJNZ-SQJMNOBHSA-N	1	1	443.555	2.980	20	30		IFEDMO
N#Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750703	720881435	/nfs/dbraw/zinc/88/14/35/720881435.db2.gz	JOQGGRZWZIANLZ-ILBGXUMGSA-N	1	1	428.540	2.975	20	30		IFEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865780	721120360	/nfs/dbraw/zinc/12/03/60/721120360.db2.gz	PLEDDEHFEAQVRV-VQTJNVASSA-N	1	1	434.544	2.813	20	30		IFEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([C@@H](C#N)c5ccccc5F)nn4)C[C@@H]3C2)cn1	ZINC001164768984	721159828	/nfs/dbraw/zinc/15/98/28/721159828.db2.gz	OPSWHSDFMUYVIP-DYXWJJEUSA-N	1	1	431.519	2.963	20	30		IFEDMO
COc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#N)c(Cl)n1	ZINC001164771389	721160803	/nfs/dbraw/zinc/16/08/03/721160803.db2.gz	SMLCXAQYGHIJNK-LSDHHAIUSA-N	1	1	436.894	2.852	20	30		IFEDMO
N#Cc1cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869722	721182146	/nfs/dbraw/zinc/18/21/46/721182146.db2.gz	AFPLEJDPKKXVOI-VQTJNVASSA-N	1	1	430.468	2.889	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1	ZINC001164776421	721345943	/nfs/dbraw/zinc/34/59/43/721345943.db2.gz	BGLVAZKHNGJNCR-NRFANRHFSA-N	1	1	426.477	2.585	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1	ZINC001164776421	721345950	/nfs/dbraw/zinc/34/59/50/721345950.db2.gz	BGLVAZKHNGJNCR-NRFANRHFSA-N	1	1	426.477	2.585	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887279	721401107	/nfs/dbraw/zinc/40/11/07/721401107.db2.gz	LUBCRMSNDMRRPY-JXFKEZNVSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883581	721415399	/nfs/dbraw/zinc/41/53/99/721415399.db2.gz	AZYJQXZHSCVGOP-YLJYHZDGSA-N	1	1	439.938	2.917	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164790641	721470247	/nfs/dbraw/zinc/47/02/47/721470247.db2.gz	SYHAHFLAFRXXLF-QFIPXVFZSA-N	1	1	440.588	2.760	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979167	722099045	/nfs/dbraw/zinc/09/90/45/722099045.db2.gz	HFRQTTZJUVJVCY-WBVHZDCISA-N	1	1	430.965	2.846	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)CCOCC1	ZINC001164972790	722137309	/nfs/dbraw/zinc/13/73/09/722137309.db2.gz	ANWGRSIIMXMERO-GGAORHGYSA-N	1	1	433.556	2.776	20	30		IFEDMO
Cc1c(Cl)c(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1C#N	ZINC001164996082	722231097	/nfs/dbraw/zinc/23/10/97/722231097.db2.gz	DEZIFLDEGNJGEP-UHFFFAOYSA-N	1	1	432.359	2.716	20	30		IFEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4cccs4)ccc2C#N)CC3)CC1	ZINC001165001595	722237813	/nfs/dbraw/zinc/23/78/13/722237813.db2.gz	JWUFWSZGTRNVKF-UHFFFAOYSA-N	1	1	431.569	2.829	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(-c3ccncc3)ccc1C#N)CCC2	ZINC001164812653	720235057	/nfs/dbraw/zinc/23/50/57/720235057.db2.gz	HJYCVHCWDYEEJR-UHFFFAOYSA-N	1	1	429.528	2.822	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@H]2C1	ZINC001164861498	720863667	/nfs/dbraw/zinc/86/36/67/720863667.db2.gz	XWZXOEOHPXGKMF-ICSRJNTNSA-N	1	1	439.585	2.911	20	30		IFEDMO
N#Cc1c[nH]c2ncnc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164755440	720868787	/nfs/dbraw/zinc/86/87/87/720868787.db2.gz	WYKDVOPUGHVJNZ-PXDATVDWSA-N	1	1	443.555	2.980	20	30		IFEDMO
N#Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750720	720881497	/nfs/dbraw/zinc/88/14/97/720881497.db2.gz	JOQGGRZWZIANLZ-ZCYQVOJMSA-N	1	1	428.540	2.975	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@H]2C1	ZINC001164853751	720889400	/nfs/dbraw/zinc/88/94/00/720889400.db2.gz	CQJLLILNKJCXQD-FXAWDEMLSA-N	1	1	443.935	2.967	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001164852889	720889740	/nfs/dbraw/zinc/88/97/40/720889740.db2.gz	AGEIRWTYSPCUMK-YLJYHZDGSA-N	1	1	443.935	2.967	20	30		IFEDMO
COc1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)c(C#N)c(Cl)n1	ZINC001164863392	721032530	/nfs/dbraw/zinc/03/25/30/721032530.db2.gz	SMQBULOALBGBTB-UHFFFAOYSA-N	1	1	433.850	2.664	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164868442	721066363	/nfs/dbraw/zinc/06/63/63/721066363.db2.gz	OLXOBFRJSGKNFI-LSDHHAIUSA-N	1	1	434.953	2.535	20	30		IFEDMO
CCCc1cc(C#N)c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1Cl	ZINC001164872460	721277405	/nfs/dbraw/zinc/27/74/05/721277405.db2.gz	DMOVXAQHLZVQOK-UHFFFAOYSA-N	1	1	433.984	2.566	20	30		IFEDMO
Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(C#C[Si](C)(C)C)c1	ZINC001164874551	721281068	/nfs/dbraw/zinc/28/10/68/721281068.db2.gz	UMMTVYKHDMYCCH-UHFFFAOYSA-N	1	1	442.680	2.626	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC(N(C)C)=[NH+]O2)CC1	ZINC001164874670	721326145	/nfs/dbraw/zinc/32/61/45/721326145.db2.gz	DRBHTASETWYSRF-UHFFFAOYSA-N	1	1	441.866	2.963	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164784979	721366875	/nfs/dbraw/zinc/36/68/75/721366875.db2.gz	RSNVIMSFRCQGNF-DEOSSOPVSA-N	1	1	439.560	2.721	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164784979	721366879	/nfs/dbraw/zinc/36/68/79/721366879.db2.gz	RSNVIMSFRCQGNF-DEOSSOPVSA-N	1	1	439.560	2.721	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887777	721390746	/nfs/dbraw/zinc/39/07/46/721390746.db2.gz	IIHFKWUKBFJARV-FDDCHVKYSA-N	1	1	440.979	2.920	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896812	721426228	/nfs/dbraw/zinc/42/62/28/721426228.db2.gz	SDLVMIMVJZRMHT-XLIONFOSSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898773	721431814	/nfs/dbraw/zinc/43/18/14/721431814.db2.gz	WYMYUNPKYDHJNH-DHLKQENFSA-N	1	1	432.572	2.781	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898777	721431828	/nfs/dbraw/zinc/43/18/28/721431828.db2.gz	WYMYUNPKYDHJNH-WIOPSUGQSA-N	1	1	432.572	2.781	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1	ZINC001164789991	721467416	/nfs/dbraw/zinc/46/74/16/721467416.db2.gz	PVTYIXUCJGKFHH-NRFANRHFSA-N	1	1	442.604	2.731	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164795311	721523917	/nfs/dbraw/zinc/52/39/17/721523917.db2.gz	MFNWSXFCWJZWOD-IXDOHACOSA-N	1	1	430.965	2.987	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164795311	721523922	/nfs/dbraw/zinc/52/39/22/721523922.db2.gz	MFNWSXFCWJZWOD-IXDOHACOSA-N	1	1	430.965	2.987	20	30		IFEDMO
N#Cc1c2c(cnc1N1CCC3(CC1)COCCN(Cc1ccncc1)C3)C[NH2+]CCC2	ZINC001164958190	722051555	/nfs/dbraw/zinc/05/15/55/722051555.db2.gz	DSZLMESEPSEVGI-UHFFFAOYSA-N	1	1	432.572	2.503	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164979165	722098900	/nfs/dbraw/zinc/09/89/00/722098900.db2.gz	HFRQTTZJUVJVCY-RDJZCZTQSA-N	1	1	430.965	2.846	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164976432	722107555	/nfs/dbraw/zinc/10/75/55/722107555.db2.gz	DAEWOMFKJBSBEE-WBVHZDCISA-N	1	1	448.980	2.782	20	30		IFEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1	ZINC001164651260	719315426	/nfs/dbraw/zinc/31/54/26/719315426.db2.gz	IRMQMXPVEQUMPB-QGZVFWFLSA-N	1	1	447.543	2.812	20	30		IFEDMO
Cc1nc(C#Cc2ccnc(N3C[C@H]4OCC[N@H+](C)[C@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669270	719394098	/nfs/dbraw/zinc/39/40/98/719394098.db2.gz	ULLFLWVNGUHSJZ-BJKOFHAPSA-N	1	1	431.515	2.942	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(Cl)nc1C#N)CCC2	ZINC001164813502	720218989	/nfs/dbraw/zinc/21/89/89/720218989.db2.gz	NFESSSVUGBDWNL-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cnc(Cl)c(C#N)c1)CCC2	ZINC001164814091	720223825	/nfs/dbraw/zinc/22/38/25/720223825.db2.gz	STZXGVFWWZVFOA-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164740934	720618362	/nfs/dbraw/zinc/61/83/62/720618362.db2.gz	KNYVBGXWCGUDSB-RYUDHWBXSA-N	1	1	441.269	2.937	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164740934	720618381	/nfs/dbraw/zinc/61/83/81/720618381.db2.gz	KNYVBGXWCGUDSB-RYUDHWBXSA-N	1	1	441.269	2.937	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164740935	720619565	/nfs/dbraw/zinc/61/95/65/720619565.db2.gz	KNYVBGXWCGUDSB-VXGBXAGGSA-N	1	1	441.269	2.937	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164740935	720619576	/nfs/dbraw/zinc/61/95/76/720619576.db2.gz	KNYVBGXWCGUDSB-VXGBXAGGSA-N	1	1	441.269	2.937	20	30		IFEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1	ZINC001164740894	720623568	/nfs/dbraw/zinc/62/35/68/720623568.db2.gz	JTUUFWPBZMCLFN-SJBKTWHCSA-N	1	1	427.512	2.572	20	30		IFEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164750365	720802737	/nfs/dbraw/zinc/80/27/37/720802737.db2.gz	VKGUORFIWUYJFJ-SJORKVTESA-N	1	1	449.902	2.926	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743615	720843759	/nfs/dbraw/zinc/84/37/59/720843759.db2.gz	JQGYLDOCABWENV-ACIOBRDBSA-N	1	1	447.587	2.624	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@@H]2C1	ZINC001164861509	720863563	/nfs/dbraw/zinc/86/35/63/720863563.db2.gz	XWZXOEOHPXGKMF-QUCCMNQESA-N	1	1	439.585	2.911	20	30		IFEDMO
COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N	ZINC001164752438	720880200	/nfs/dbraw/zinc/88/02/00/720880200.db2.gz	MZZHMACHODGSRA-ZJSXRUAMSA-N	1	1	434.544	2.507	20	30		IFEDMO
N#Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)c1	ZINC001164750716	720881676	/nfs/dbraw/zinc/88/16/76/720881676.db2.gz	JOQGGRZWZIANLZ-UKILVPOCSA-N	1	1	428.540	2.975	20	30		IFEDMO
N#Cc1c[nH]c2nc(N3CC[C@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)ncc12	ZINC001164757210	720899859	/nfs/dbraw/zinc/89/98/59/720899859.db2.gz	UJRCYKMSHPHFJC-SQJMNOBHSA-N	1	1	443.555	2.980	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891038	721383878	/nfs/dbraw/zinc/38/38/78/721383878.db2.gz	QDDMFDVCAORAMS-YLJYHZDGSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883912	721409700	/nfs/dbraw/zinc/40/97/00/721409700.db2.gz	CQYRVDLDCNYZEV-UYAOXDASSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886661	721415182	/nfs/dbraw/zinc/41/51/82/721415182.db2.gz	KLRLOUQUNIOMFE-PXNSSMCTSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886664	721415686	/nfs/dbraw/zinc/41/56/86/721415686.db2.gz	KLRLOUQUNIOMFE-XLIONFOSSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898776	721431664	/nfs/dbraw/zinc/43/16/64/721431664.db2.gz	WYMYUNPKYDHJNH-RDGATRHJSA-N	1	1	432.572	2.781	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1	ZINC001164788707	721471249	/nfs/dbraw/zinc/47/12/49/721471249.db2.gz	JAPXVPMTLDGXBH-IBGZPJMESA-N	1	1	438.576	2.516	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)CCOCC1	ZINC001164972798	722136930	/nfs/dbraw/zinc/13/69/30/722136930.db2.gz	ANWGRSIIMXMERO-JTHBVZDNSA-N	1	1	433.556	2.776	20	30		IFEDMO
Cc1nc(C#Cc2ccnc(N3C[C@H]4OCC[N@H+](C)[C@@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669273	719394302	/nfs/dbraw/zinc/39/43/02/719394302.db2.gz	ULLFLWVNGUHSJZ-DNQXCXABSA-N	1	1	431.515	2.942	20	30		IFEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C(=O)OC)CC2	ZINC001164710833	720153387	/nfs/dbraw/zinc/15/33/87/720153387.db2.gz	DLPHYKGCYCCQIN-HXUWFJFHSA-N	1	1	435.528	2.642	20	30		IFEDMO
CSc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164741667	720723324	/nfs/dbraw/zinc/72/33/24/720723324.db2.gz	MVOSELGPULJHCX-MSOLQXFVSA-N	1	1	445.552	2.869	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@H]2C1	ZINC001164853753	720889608	/nfs/dbraw/zinc/88/96/08/720889608.db2.gz	CQJLLILNKJCXQD-PXNSSMCTSA-N	1	1	443.935	2.967	20	30		IFEDMO
N#Cc1c[nH]c2nc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)ncc12	ZINC001164757207	720899952	/nfs/dbraw/zinc/89/99/52/720899952.db2.gz	UJRCYKMSHPHFJC-BWKNWUBXSA-N	1	1	443.555	2.980	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164868440	721065977	/nfs/dbraw/zinc/06/59/77/721065977.db2.gz	OLXOBFRJSGKNFI-GJZGRUSLSA-N	1	1	434.953	2.535	20	30		IFEDMO
COc1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(F)cc1C#N	ZINC001164786077	721364129	/nfs/dbraw/zinc/36/41/29/721364129.db2.gz	WBEMDTFUIXBJRG-JOCHJYFZSA-N	1	1	429.496	2.825	20	30		IFEDMO
COc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(F)cc1C#N	ZINC001164786077	721364133	/nfs/dbraw/zinc/36/41/33/721364133.db2.gz	WBEMDTFUIXBJRG-JOCHJYFZSA-N	1	1	429.496	2.825	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(cc3C#N)COCC4)C2)C1	ZINC001164782247	721370950	/nfs/dbraw/zinc/37/09/50/721370950.db2.gz	LOFIQVJAUFTGKR-DEOSSOPVSA-N	1	1	437.544	2.750	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(cc3C#N)COCC4)C2)C1	ZINC001164782247	721370953	/nfs/dbraw/zinc/37/09/53/721370953.db2.gz	LOFIQVJAUFTGKR-DEOSSOPVSA-N	1	1	437.544	2.750	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896817	721426092	/nfs/dbraw/zinc/42/60/92/721426092.db2.gz	SDLVMIMVJZRMHT-YLJYHZDGSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cnc(Cl)cc4C#N)C3)O2)CC1	ZINC001164896803	721426154	/nfs/dbraw/zinc/42/61/54/721426154.db2.gz	SDLVMIMVJZRMHT-FXAWDEMLSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H]2CCCO[C@H]12	ZINC001164803009	721573461	/nfs/dbraw/zinc/57/34/61/721573461.db2.gz	JECIBTVSJMCFJK-AKFKNWHVSA-N	1	1	433.556	2.917	20	30		IFEDMO
CCOC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C#N	ZINC001164963188	722054263	/nfs/dbraw/zinc/05/42/63/722054263.db2.gz	IBOSODZTOQCDSQ-UHFFFAOYSA-N	1	1	449.555	2.952	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC	ZINC001164808457	720095369	/nfs/dbraw/zinc/09/53/69/720095369.db2.gz	HMHFHELYTOEGGL-HTAPYJJXSA-N	1	1	432.952	2.968	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1	ZINC001164711191	720140216	/nfs/dbraw/zinc/14/02/16/720140216.db2.gz	FYGVKVCFQHJMLL-NRFANRHFSA-N	1	1	435.572	2.900	20	30		IFEDMO
N#CCc1ccc(OCc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)cc1	ZINC001164743477	720768454	/nfs/dbraw/zinc/76/84/54/720768454.db2.gz	QJFYQGQABXWHFV-GMAHTHKFSA-N	1	1	442.523	2.859	20	30		IFEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001164747897	720803205	/nfs/dbraw/zinc/80/32/05/720803205.db2.gz	PQAIJMCFPIXJTM-WMZOPIPTSA-N	1	1	449.902	2.926	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)CC[C@@H]2C1	ZINC001164853755	720889385	/nfs/dbraw/zinc/88/93/85/720889385.db2.gz	CQJLLILNKJCXQD-XLIONFOSSA-N	1	1	443.935	2.967	20	30		IFEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([C@H](C#N)c5ccccc5F)nn4)C[C@H]3C2)cn1	ZINC001164768991	721160588	/nfs/dbraw/zinc/16/05/88/721160588.db2.gz	OPSWHSDFMUYVIP-SFHLNBCPSA-N	1	1	431.519	2.963	20	30		IFEDMO
Cc1c(Cl)c(Cl)nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c1C#N	ZINC001164868530	721266356	/nfs/dbraw/zinc/26/63/56/721266356.db2.gz	ARENVCDWVMWJSJ-UHFFFAOYSA-N	1	1	440.375	2.576	20	30		IFEDMO
COc1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c(F)cc1C#N	ZINC001164786078	721364299	/nfs/dbraw/zinc/36/42/99/721364299.db2.gz	WBEMDTFUIXBJRG-QFIPXVFZSA-N	1	1	429.496	2.825	20	30		IFEDMO
COc1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c(F)cc1C#N	ZINC001164786078	721364302	/nfs/dbraw/zinc/36/43/02/721364302.db2.gz	WBEMDTFUIXBJRG-QFIPXVFZSA-N	1	1	429.496	2.825	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890510	721387584	/nfs/dbraw/zinc/38/75/84/721387584.db2.gz	NRNWSXAPNCCIMV-JXFKEZNVSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883908	721409794	/nfs/dbraw/zinc/40/97/94/721409794.db2.gz	CQYRVDLDCNYZEV-ICSRJNTNSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887189	721415017	/nfs/dbraw/zinc/41/50/17/721415017.db2.gz	LJMHBDJHNKOTNR-FXAWDEMLSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(C#N)cc(Cl)n4)C3)O2)CC1	ZINC001164883579	721415483	/nfs/dbraw/zinc/41/54/83/721415483.db2.gz	AZYJQXZHSCVGOP-PXNSSMCTSA-N	1	1	439.938	2.917	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2	ZINC001164789889	721457845	/nfs/dbraw/zinc/45/78/45/721457845.db2.gz	YCYVMLLBPXNPCB-HXUWFJFHSA-N	1	1	429.521	2.595	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1	ZINC001164789994	721467358	/nfs/dbraw/zinc/46/73/58/721467358.db2.gz	PVTYIXUCJGKFHH-OAQYLSRUSA-N	1	1	442.604	2.731	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164795310	721524247	/nfs/dbraw/zinc/52/42/47/721524247.db2.gz	MFNWSXFCWJZWOD-IKGGRYGDSA-N	1	1	430.965	2.987	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164795310	721524252	/nfs/dbraw/zinc/52/42/52/721524252.db2.gz	MFNWSXFCWJZWOD-IKGGRYGDSA-N	1	1	430.965	2.987	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967796	722073546	/nfs/dbraw/zinc/07/35/46/722073546.db2.gz	WVBKRYBNKALLPS-GASCZTMLSA-N	1	1	440.878	2.628	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967796	722073550	/nfs/dbraw/zinc/07/35/50/722073550.db2.gz	WVBKRYBNKALLPS-GASCZTMLSA-N	1	1	440.878	2.628	20	30		IFEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164976302	722108357	/nfs/dbraw/zinc/10/83/57/722108357.db2.gz	LBXFETAKHJQTIU-UGKGYDQZSA-N	1	1	435.528	2.561	20	30		IFEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C#N)c4cc(Cl)ccc4n2)CC3)CC1	ZINC001165002325	722239226	/nfs/dbraw/zinc/23/92/26/722239226.db2.gz	UOSBXFMBXUHTJF-UHFFFAOYSA-N	1	1	433.947	2.907	20	30		IFEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc4c(cc2C#N)CCCC4(C)C)CC3)CC1	ZINC001165002601	722239962	/nfs/dbraw/zinc/23/99/62/722239962.db2.gz	VXRHTFKWBLZLTF-UHFFFAOYSA-N	1	1	431.588	2.714	20	30		IFEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)CC2	ZINC001164652818	719316611	/nfs/dbraw/zinc/31/66/11/719316611.db2.gz	QZKPUMPCXVZFJA-KRWDZBQOSA-N	1	1	439.564	2.827	20	30		IFEDMO
Cc1nc(C#Cc2ccnc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669274	719394408	/nfs/dbraw/zinc/39/44/08/719394408.db2.gz	ULLFLWVNGUHSJZ-RPWUZVMVSA-N	1	1	431.515	2.942	20	30		IFEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CC2	ZINC001164685875	719720182	/nfs/dbraw/zinc/72/01/82/719720182.db2.gz	NRTVFDOZPSSTFY-UHFFFAOYSA-N	1	1	442.926	2.989	20	30		IFEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C(=O)OC)CC2	ZINC001164710832	720152724	/nfs/dbraw/zinc/15/27/24/720152724.db2.gz	DLPHYKGCYCCQIN-FQEVSTJZSA-N	1	1	435.528	2.642	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccc(C#N)c(Cl)n1)CCC2	ZINC001164813357	720211422	/nfs/dbraw/zinc/21/14/22/720211422.db2.gz	OUWGNSXWYKHLHH-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1nc(Cl)ccc1C#N)CCC2	ZINC001164814727	720225359	/nfs/dbraw/zinc/22/53/59/720225359.db2.gz	XCYPQTUBGRMDFI-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732019	720441232	/nfs/dbraw/zinc/44/12/32/720441232.db2.gz	MTVIGQSNBDKDKL-JRGCBEDISA-N	1	1	428.496	2.658	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164740932	720619748	/nfs/dbraw/zinc/61/97/48/720619748.db2.gz	KNYVBGXWCGUDSB-NEPJUHHUSA-N	1	1	441.269	2.937	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164740932	720619769	/nfs/dbraw/zinc/61/97/69/720619769.db2.gz	KNYVBGXWCGUDSB-NEPJUHHUSA-N	1	1	441.269	2.937	20	30		IFEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1	ZINC001164740900	720623553	/nfs/dbraw/zinc/62/35/53/720623553.db2.gz	JTUUFWPBZMCLFN-VWPQPMDRSA-N	1	1	427.512	2.572	20	30		IFEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1	ZINC001164740893	720623613	/nfs/dbraw/zinc/62/36/13/720623613.db2.gz	JTUUFWPBZMCLFN-ONTIZHBOSA-N	1	1	427.512	2.572	20	30		IFEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164752595	720803031	/nfs/dbraw/zinc/80/30/31/720803031.db2.gz	ZIIJHCODRIRLOS-FUHWJXTLSA-N	1	1	449.902	2.926	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@@H]2C1	ZINC001164858190	720858114	/nfs/dbraw/zinc/85/81/14/720858114.db2.gz	RMQVEDWTAILTDN-QVKFZJNVSA-N	1	1	445.926	2.981	20	30		IFEDMO
COc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N	ZINC001164752437	720879834	/nfs/dbraw/zinc/87/98/34/720879834.db2.gz	MZZHMACHODGSRA-XUZZJYLKSA-N	1	1	434.544	2.507	20	30		IFEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4c(cc3C#N)CCCC4(C)C)CC2)C1	ZINC001164873850	721292441	/nfs/dbraw/zinc/29/24/41/721292441.db2.gz	BXKBTFCFJSFTSQ-UHFFFAOYSA-N	1	1	439.604	2.574	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)COCC4)C2)C1	ZINC001164782248	721370688	/nfs/dbraw/zinc/37/06/88/721370688.db2.gz	LOFIQVJAUFTGKR-XMMPIXPASA-N	1	1	437.544	2.750	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(cc3C#N)COCC4)C2)C1	ZINC001164782248	721370690	/nfs/dbraw/zinc/37/06/90/721370690.db2.gz	LOFIQVJAUFTGKR-XMMPIXPASA-N	1	1	437.544	2.750	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887191	721414386	/nfs/dbraw/zinc/41/43/86/721414386.db2.gz	LJMHBDJHNKOTNR-XLIONFOSSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)ncc4C#N)C3)O2)CC1	ZINC001164886659	721415160	/nfs/dbraw/zinc/41/51/60/721415160.db2.gz	KLRLOUQUNIOMFE-FXAWDEMLSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(-c5ccncc5)ccc4C#N)C3)O2)CC1	ZINC001164898775	721431499	/nfs/dbraw/zinc/43/14/99/721431499.db2.gz	WYMYUNPKYDHJNH-RCZVLFRGSA-N	1	1	432.572	2.781	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C#N)c(C#N)nc1Cl)CC2	ZINC001164788680	721460078	/nfs/dbraw/zinc/46/00/78/721460078.db2.gz	VMMIEXFYMFCZEP-QGZVFWFLSA-N	1	1	444.967	2.607	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)c(C#N)cc1F)CC2	ZINC001164788782	721465076	/nfs/dbraw/zinc/46/50/76/721465076.db2.gz	KQCJXAVFFFGSCI-LJQANCHMSA-N	1	1	432.540	2.835	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164807208	721541140	/nfs/dbraw/zinc/54/11/40/721541140.db2.gz	QKBSWKSSCMKRHM-YESZJQIVSA-N	1	1	448.980	2.923	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164807208	721541143	/nfs/dbraw/zinc/54/11/43/721541143.db2.gz	QKBSWKSSCMKRHM-YESZJQIVSA-N	1	1	448.980	2.923	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164807205	721541155	/nfs/dbraw/zinc/54/11/55/721541155.db2.gz	QKBSWKSSCMKRHM-IKGGRYGDSA-N	1	1	448.980	2.923	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164807205	721541156	/nfs/dbraw/zinc/54/11/56/721541156.db2.gz	QKBSWKSSCMKRHM-IKGGRYGDSA-N	1	1	448.980	2.923	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164979160	722099023	/nfs/dbraw/zinc/09/90/23/722099023.db2.gz	HFRQTTZJUVJVCY-DOTOQJQBSA-N	1	1	430.965	2.846	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)CCOCC1	ZINC001164972794	722137208	/nfs/dbraw/zinc/13/72/08/722137208.db2.gz	ANWGRSIIMXMERO-GMAHTHKFSA-N	1	1	433.556	2.776	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)CCOCC1	ZINC001164972777	722137238	/nfs/dbraw/zinc/13/72/38/722137238.db2.gz	ANWGRSIIMXMERO-FYYLOGMGSA-N	1	1	433.556	2.776	20	30		IFEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccccc3)nc(SC)c1C#N)CC2	ZINC001164683671	719728115	/nfs/dbraw/zinc/72/81/15/719728115.db2.gz	CBZFLUBACSTASH-UHFFFAOYSA-N	1	1	436.585	2.918	20	30		IFEDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164711653	720150737	/nfs/dbraw/zinc/15/07/37/720150737.db2.gz	HRDDIILVJCBGAG-QFIPXVFZSA-N	1	1	433.556	2.928	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc3ccccc3nc1[C@@H](C#N)C(=O)OC)C2	ZINC001164816729	720170369	/nfs/dbraw/zinc/17/03/69/720170369.db2.gz	MLODAXUYCIKDBR-CEYNDMKZSA-N	1	1	449.555	2.595	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2	ZINC001164820112	720187627	/nfs/dbraw/zinc/18/76/27/720187627.db2.gz	ZMOXSRWVIJWSPW-JXQFQVJHSA-N	1	1	441.576	2.610	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(C#N)c1)CCC2	ZINC001164813955	720222462	/nfs/dbraw/zinc/22/24/62/720222462.db2.gz	QCDSMGKWGPXOMD-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)ncc1C#N)CCC2	ZINC001164812019	720224788	/nfs/dbraw/zinc/22/47/88/720224788.db2.gz	CMLHDAPQLYWVMH-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(C#N)cc(Cl)n1)CCC2	ZINC001164812157	720225481	/nfs/dbraw/zinc/22/54/81/720225481.db2.gz	FRKDDOCNAJQYSZ-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CCC2	ZINC001164817340	720244572	/nfs/dbraw/zinc/24/45/72/720244572.db2.gz	QGOLYBRICOGKHC-UHFFFAOYSA-N	1	1	447.499	2.822	20	30		IFEDMO
N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164752601	720803254	/nfs/dbraw/zinc/80/32/54/720803254.db2.gz	ZIIJHCODRIRLOS-SJLPKXTDSA-N	1	1	449.902	2.926	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3C#N)CC[C@@H]2C1	ZINC001164856470	720834718	/nfs/dbraw/zinc/83/47/18/720834718.db2.gz	WRRTXMDJFPSKJU-DOMZBBRYSA-N	1	1	435.302	2.978	20	30		IFEDMO
N#Cc1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c12	ZINC001164755438	720869114	/nfs/dbraw/zinc/86/91/14/720869114.db2.gz	WYKDVOPUGHVJNZ-BWKNWUBXSA-N	1	1	443.555	2.980	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@H]2C1	ZINC001164852884	720888879	/nfs/dbraw/zinc/88/88/79/720888879.db2.gz	AGEIRWTYSPCUMK-FXAWDEMLSA-N	1	1	443.935	2.967	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164779696	721374108	/nfs/dbraw/zinc/37/41/08/721374108.db2.gz	CESHNBGUXVWAFR-HSZRJFAPSA-N	1	1	435.532	2.506	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164779696	721374114	/nfs/dbraw/zinc/37/41/14/721374114.db2.gz	CESHNBGUXVWAFR-HSZRJFAPSA-N	1	1	435.532	2.506	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887284	721401084	/nfs/dbraw/zinc/40/10/84/721401084.db2.gz	LUBCRMSNDMRRPY-UZLBHIALSA-N	1	1	439.938	2.917	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164807206	721541008	/nfs/dbraw/zinc/54/10/08/721541008.db2.gz	QKBSWKSSCMKRHM-IXDOHACOSA-N	1	1	448.980	2.923	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164807206	721541010	/nfs/dbraw/zinc/54/10/10/721541010.db2.gz	QKBSWKSSCMKRHM-IXDOHACOSA-N	1	1	448.980	2.923	20	30		IFEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@@H]2CCCO[C@@H]12	ZINC001164803012	721574030	/nfs/dbraw/zinc/57/40/30/721574030.db2.gz	JECIBTVSJMCFJK-CQOQZXRMSA-N	1	1	433.556	2.917	20	30		IFEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164976290	722108180	/nfs/dbraw/zinc/10/81/80/722108180.db2.gz	LBXFETAKHJQTIU-DENIHFKCSA-N	1	1	435.528	2.561	20	30		IFEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C=NO)C2	ZINC001164812271	720091119	/nfs/dbraw/zinc/09/11/19/720091119.db2.gz	QBPSHVWXBIHDFJ-KUHUBIRLSA-N	1	1	425.986	2.845	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC	ZINC001164808458	720095655	/nfs/dbraw/zinc/09/56/55/720095655.db2.gz	HMHFHELYTOEGGL-JTSKRJEESA-N	1	1	432.952	2.968	20	30		IFEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3ccccc3nc1[C@@H](C#N)C(=O)OC)C2	ZINC001164816731	720170908	/nfs/dbraw/zinc/17/09/08/720170908.db2.gz	MLODAXUYCIKDBR-OSWQYVSFSA-N	1	1	449.555	2.595	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(C#N)cnc3cnc(Cl)cc31)CCC2	ZINC001164813400	720214932	/nfs/dbraw/zinc/21/49/32/720214932.db2.gz	PIDKDMRVVCFAJX-UHFFFAOYSA-N	1	1	437.935	2.962	20	30		IFEDMO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732020	720442641	/nfs/dbraw/zinc/44/26/41/720442641.db2.gz	MTVIGQSNBDKDKL-QMMLZNLJSA-N	1	1	428.496	2.658	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC[C@H]2C1	ZINC001164861439	720863687	/nfs/dbraw/zinc/86/36/87/720863687.db2.gz	XWZXOEOHPXGKMF-AZUAARDMSA-N	1	1	439.585	2.911	20	30		IFEDMO
COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N	ZINC001164752433	720880005	/nfs/dbraw/zinc/88/00/05/720880005.db2.gz	MZZHMACHODGSRA-QPPBQGQZSA-N	1	1	434.544	2.507	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1	ZINC001164779117	721349649	/nfs/dbraw/zinc/34/96/49/721349649.db2.gz	RGNZAKVEBHLGFM-OAQYLSRUSA-N	1	1	426.477	2.585	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1	ZINC001164779117	721349651	/nfs/dbraw/zinc/34/96/51/721349651.db2.gz	RGNZAKVEBHLGFM-OAQYLSRUSA-N	1	1	426.477	2.585	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC[C@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164779698	721373567	/nfs/dbraw/zinc/37/35/67/721373567.db2.gz	CESHNBGUXVWAFR-QHCPKHFHSA-N	1	1	435.532	2.506	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC[C@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164779698	721373575	/nfs/dbraw/zinc/37/35/75/721373575.db2.gz	CESHNBGUXVWAFR-QHCPKHFHSA-N	1	1	435.532	2.506	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891035	721384012	/nfs/dbraw/zinc/38/40/12/721384012.db2.gz	QDDMFDVCAORAMS-XLIONFOSSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887780	721390709	/nfs/dbraw/zinc/39/07/09/721390709.db2.gz	IIHFKWUKBFJARV-WZONZLPQSA-N	1	1	440.979	2.920	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887190	721414954	/nfs/dbraw/zinc/41/49/54/721414954.db2.gz	LJMHBDJHNKOTNR-PXNSSMCTSA-N	1	1	439.938	2.917	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164976428	722107623	/nfs/dbraw/zinc/10/76/23/722107623.db2.gz	DAEWOMFKJBSBEE-NVXWUHKLSA-N	1	1	448.980	2.782	20	30		IFEDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1ccnc(Cl)c1C#N)CCC2	ZINC001164815215	720213144	/nfs/dbraw/zinc/21/31/44/720213144.db2.gz	XBZJZRFRWGLQEJ-UHFFFAOYSA-N	1	1	436.894	2.959	20	30		IFEDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1	ZINC001164721867	720311744	/nfs/dbraw/zinc/31/17/44/720311744.db2.gz	IDWZJTWAKBTTSY-QHCPKHFHSA-N	1	1	441.963	2.733	20	30		IFEDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1	ZINC001164721867	720311754	/nfs/dbraw/zinc/31/17/54/720311754.db2.gz	IDWZJTWAKBTTSY-QHCPKHFHSA-N	1	1	441.963	2.733	20	30		IFEDMO
Cc1ccc([C@H](C#N)c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1	ZINC001164740896	720625756	/nfs/dbraw/zinc/62/57/56/720625756.db2.gz	JTUUFWPBZMCLFN-URVUXULASA-N	1	1	427.512	2.572	20	30		IFEDMO
CSc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164741689	720723367	/nfs/dbraw/zinc/72/33/67/720723367.db2.gz	MVOSELGPULJHCX-ZWKOTPCHSA-N	1	1	445.552	2.869	20	30		IFEDMO
CSc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164741681	720724228	/nfs/dbraw/zinc/72/42/28/720724228.db2.gz	MVOSELGPULJHCX-ROUUACIJSA-N	1	1	445.552	2.869	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744742	720808832	/nfs/dbraw/zinc/80/88/32/720808832.db2.gz	IFPUYIVSXGZQGR-BFYDXBDKSA-N	1	1	444.996	2.694	20	30		IFEDMO
N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCOCC1	ZINC001164743619	720843507	/nfs/dbraw/zinc/84/35/07/720843507.db2.gz	JQGYLDOCABWENV-YMPZKCBVSA-N	1	1	447.587	2.624	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@@H]2C1	ZINC001164858491	720889333	/nfs/dbraw/zinc/88/93/33/720889333.db2.gz	KYKHLXDPBIEJQS-XLIONFOSSA-N	1	1	443.935	2.967	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164868438	721066205	/nfs/dbraw/zinc/06/62/05/721066205.db2.gz	OLXOBFRJSGKNFI-CABCVRRESA-N	1	1	434.953	2.535	20	30		IFEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([C@@H](C#N)c5ccccc5F)nn4)C[C@H]3C2)cn1	ZINC001164768989	721159677	/nfs/dbraw/zinc/15/96/77/721159677.db2.gz	OPSWHSDFMUYVIP-SBHAEUEKSA-N	1	1	431.519	2.963	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1	ZINC001164776424	721346675	/nfs/dbraw/zinc/34/66/75/721346675.db2.gz	BGLVAZKHNGJNCR-OAQYLSRUSA-N	1	1	426.477	2.585	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3C#N)C2)C1	ZINC001164776424	721346679	/nfs/dbraw/zinc/34/66/79/721346679.db2.gz	BGLVAZKHNGJNCR-OAQYLSRUSA-N	1	1	426.477	2.585	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C#N)c(C#N)nc3Cl)C2)C1	ZINC001164777864	721350220	/nfs/dbraw/zinc/35/02/20/721350220.db2.gz	JRQONTOWIOULST-NRFANRHFSA-N	1	1	441.923	2.597	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C#N)c(C#N)nc3Cl)C2)C1	ZINC001164777864	721350222	/nfs/dbraw/zinc/35/02/22/721350222.db2.gz	JRQONTOWIOULST-NRFANRHFSA-N	1	1	441.923	2.597	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C#N)c(C#N)nc3Cl)C2)C1	ZINC001164777865	721350557	/nfs/dbraw/zinc/35/05/57/721350557.db2.gz	JRQONTOWIOULST-OAQYLSRUSA-N	1	1	441.923	2.597	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C#N)c(C#N)nc3Cl)C2)C1	ZINC001164777865	721350562	/nfs/dbraw/zinc/35/05/62/721350562.db2.gz	JRQONTOWIOULST-OAQYLSRUSA-N	1	1	441.923	2.597	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890511	721387827	/nfs/dbraw/zinc/38/78/27/721387827.db2.gz	NRNWSXAPNCCIMV-OXJNMPFZSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(C#N)cnc5cnc(Cl)cc54)C3)O2)CC1	ZINC001164887778	721390537	/nfs/dbraw/zinc/39/05/37/721390537.db2.gz	IIHFKWUKBFJARV-JPYJTQIMSA-N	1	1	440.979	2.920	20	30		IFEDMO
CCOC(=O)c1cc(C)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164976294	722108234	/nfs/dbraw/zinc/10/82/34/722108234.db2.gz	LBXFETAKHJQTIU-KNQAVFIVSA-N	1	1	435.528	2.561	20	30		IFEDMO
Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c(C#C[Si](C)(C)C)c1	ZINC001164997851	722236048	/nfs/dbraw/zinc/23/60/48/722236048.db2.gz	XOOVCLXOSDGPDV-UHFFFAOYSA-N	1	1	434.664	2.766	20	30		IFEDMO
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1	ZINC001164651257	719315676	/nfs/dbraw/zinc/31/56/76/719315676.db2.gz	IRMQMXPVEQUMPB-KRWDZBQOSA-N	1	1	447.543	2.812	20	30		IFEDMO
Cc1nc(C#Cc2ccnc(N3C[C@@H]4OCC[N@H+](C)[C@H]4C3)c2)c(C)n1-c1ccc(F)cc1	ZINC001164669275	719393970	/nfs/dbraw/zinc/39/39/70/719393970.db2.gz	ULLFLWVNGUHSJZ-ZEQRLZLVSA-N	1	1	431.515	2.942	20	30		IFEDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)COCC3)CC2	ZINC001164711649	720150354	/nfs/dbraw/zinc/15/03/54/720150354.db2.gz	HRDDIILVJCBGAG-JOCHJYFZSA-N	1	1	433.556	2.928	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164740933	720618049	/nfs/dbraw/zinc/61/80/49/720618049.db2.gz	KNYVBGXWCGUDSB-NWDGAFQWSA-N	1	1	441.269	2.937	20	30		IFEDMO
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164740933	720618062	/nfs/dbraw/zinc/61/80/62/720618062.db2.gz	KNYVBGXWCGUDSB-NWDGAFQWSA-N	1	1	441.269	2.937	20	30		IFEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1	ZINC001164747892	720802798	/nfs/dbraw/zinc/80/27/98/720802798.db2.gz	PQAIJMCFPIXJTM-SJLPKXTDSA-N	1	1	449.902	2.926	20	30		IFEDMO
N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164750363	720803047	/nfs/dbraw/zinc/80/30/47/720803047.db2.gz	VKGUORFIWUYJFJ-IRXDYDNUSA-N	1	1	449.902	2.926	20	30		IFEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)CC[C@H]2C1	ZINC001164858194	720858150	/nfs/dbraw/zinc/85/81/50/720858150.db2.gz	RMQVEDWTAILTDN-YCRPNKLZSA-N	1	1	445.926	2.981	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)CC[C@H]2C1	ZINC001164858484	720889483	/nfs/dbraw/zinc/88/94/83/720889483.db2.gz	KYKHLXDPBIEJQS-PXNSSMCTSA-N	1	1	443.935	2.967	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866587	721069513	/nfs/dbraw/zinc/06/95/13/721069513.db2.gz	FSNYPSGXCJMKJE-QZTJIDSGSA-N	1	1	441.919	2.658	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866589	721069600	/nfs/dbraw/zinc/06/96/00/721069600.db2.gz	FSNYPSGXCJMKJE-ZWKOTPCHSA-N	1	1	441.919	2.658	20	30		IFEDMO
CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866588	721070568	/nfs/dbraw/zinc/07/05/68/721070568.db2.gz	FSNYPSGXCJMKJE-ROUUACIJSA-N	1	1	441.919	2.658	20	30		IFEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc([C@H](C#N)c5ccccc5F)nn4)C[C@@H]3C2)cn1	ZINC001164768994	721160278	/nfs/dbraw/zinc/16/02/78/721160278.db2.gz	OPSWHSDFMUYVIP-SVFBPWRDSA-N	1	1	431.519	2.963	20	30		IFEDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1	ZINC001164779116	721349330	/nfs/dbraw/zinc/34/93/30/721349330.db2.gz	RGNZAKVEBHLGFM-NRFANRHFSA-N	1	1	426.477	2.585	20	30		IFEDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C#N)ccc3[N+](=O)[O-])C2)C1	ZINC001164779116	721349332	/nfs/dbraw/zinc/34/93/32/721349332.db2.gz	RGNZAKVEBHLGFM-NRFANRHFSA-N	1	1	426.477	2.585	20	30		IFEDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(C#N)c(Cl)n4)C3)O2)CC1	ZINC001164891029	721384364	/nfs/dbraw/zinc/38/43/64/721384364.db2.gz	QDDMFDVCAORAMS-FXAWDEMLSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccnc(Cl)c4C#N)C3)O2)CC1	ZINC001164890512	721388118	/nfs/dbraw/zinc/38/81/18/721388118.db2.gz	NRNWSXAPNCCIMV-OXQOHEQNSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)C3)O2)CC1	ZINC001164883909	721409453	/nfs/dbraw/zinc/40/94/53/721409453.db2.gz	CQYRVDLDCNYZEV-QUCCMNQESA-N	1	1	439.938	2.917	20	30		IFEDMO
CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@H](COCC3CC3)[N@@H+](CCOC)C2)CC1	ZINC001164788713	721471380	/nfs/dbraw/zinc/47/13/80/721471380.db2.gz	JAPXVPMTLDGXBH-LJQANCHMSA-N	1	1	438.576	2.516	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164795313	721524511	/nfs/dbraw/zinc/52/45/11/721524511.db2.gz	MFNWSXFCWJZWOD-YESZJQIVSA-N	1	1	430.965	2.987	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164795313	721524513	/nfs/dbraw/zinc/52/45/13/721524513.db2.gz	MFNWSXFCWJZWOD-YESZJQIVSA-N	1	1	430.965	2.987	20	30		IFEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCOCC3)cn2)[C@H]2CCCO[C@H]12	ZINC001164803019	721573535	/nfs/dbraw/zinc/57/35/35/721573535.db2.gz	JECIBTVSJMCFJK-ZDXQCDESSA-N	1	1	433.556	2.917	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164976427	722107336	/nfs/dbraw/zinc/10/73/36/722107336.db2.gz	DAEWOMFKJBSBEE-DOTOQJQBSA-N	1	1	448.980	2.782	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164976430	722107491	/nfs/dbraw/zinc/10/74/91/722107491.db2.gz	DAEWOMFKJBSBEE-RDJZCZTQSA-N	1	1	448.980	2.782	20	30		IFEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4ccc(F)cc4)ccc2C#N)CC3)CC1	ZINC001164996103	722229433	/nfs/dbraw/zinc/22/94/33/722229433.db2.gz	FJEWAEUFGSCQNB-UHFFFAOYSA-N	1	1	443.530	2.906	20	30		IFEDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc4ccccc4c(Cl)c2C#N)CC3)CC1	ZINC001165001833	722236996	/nfs/dbraw/zinc/23/69/96/722236996.db2.gz	MXDLYZUBQJKXTE-UHFFFAOYSA-N	1	1	433.947	2.907	20	30		IFEDMO
COCCN1CC[N@H+](C)C2(CCN(c3c(C#N)c(Cl)nc4cccc(C)c43)CC2)C1=O	ZINC001164644860	719285419	/nfs/dbraw/zinc/28/54/19/719285419.db2.gz	UVQOQRXUUDZBSN-UHFFFAOYSA-N	1	1	441.963	2.828	20	30		IFEDMO
COCCN1CC[N@@H+](C)C2(CCN(c3c(C#N)c(Cl)nc4cccc(C)c43)CC2)C1=O	ZINC001164644860	719285424	/nfs/dbraw/zinc/28/54/24/719285424.db2.gz	UVQOQRXUUDZBSN-UHFFFAOYSA-N	1	1	441.963	2.828	20	30		IFEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CC2	ZINC001164689606	719754876	/nfs/dbraw/zinc/75/48/76/719754876.db2.gz	JANHRKATESTMIO-UHFFFAOYSA-N	1	1	440.935	2.975	20	30		IFEDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1	ZINC001164721865	720310677	/nfs/dbraw/zinc/31/06/77/720310677.db2.gz	IDWZJTWAKBTTSY-HSZRJFAPSA-N	1	1	441.963	2.733	20	30		IFEDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1	ZINC001164721865	720310683	/nfs/dbraw/zinc/31/06/83/720310683.db2.gz	IDWZJTWAKBTTSY-HSZRJFAPSA-N	1	1	441.963	2.733	20	30		IFEDMO
N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1	ZINC001164747888	720802992	/nfs/dbraw/zinc/80/29/92/720802992.db2.gz	PQAIJMCFPIXJTM-FUHWJXTLSA-N	1	1	449.902	2.926	20	30		IFEDMO
CSc1nc(Cl)c(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164744747	720808683	/nfs/dbraw/zinc/80/86/83/720808683.db2.gz	IFPUYIVSXGZQGR-HLLBOEOZSA-N	1	1	444.996	2.694	20	30		IFEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747737	720845140	/nfs/dbraw/zinc/84/51/40/720845140.db2.gz	RMUYUJSBSKJUHJ-WMTXJRDZSA-N	1	1	440.555	2.986	20	30		IFEDMO
N#Cc1ccc(-c2ccncc2)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164747734	720845295	/nfs/dbraw/zinc/84/52/95/720845295.db2.gz	RMUYUJSBSKJUHJ-CQOQZXRMSA-N	1	1	440.555	2.986	20	30		IFEDMO
N#Cc1c[nH]c2ncnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COCc3cccnc3)c12	ZINC001164755439	720868909	/nfs/dbraw/zinc/86/89/09/720868909.db2.gz	WYKDVOPUGHVJNZ-OFVILXPXSA-N	1	1	443.555	2.980	20	30		IFEDMO
COc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N	ZINC001164752436	720880190	/nfs/dbraw/zinc/88/01/90/720880190.db2.gz	MZZHMACHODGSRA-URXFXBBRSA-N	1	1	434.544	2.507	20	30		IFEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3cccc(C#N)c3)CC[C@@H]2C1	ZINC001164852888	720888682	/nfs/dbraw/zinc/88/86/82/720888682.db2.gz	AGEIRWTYSPCUMK-XLIONFOSSA-N	1	1	443.935	2.967	20	30		IFEDMO
COc1cc(C(F)(F)N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C#N)c(Cl)n1	ZINC001164771387	721160890	/nfs/dbraw/zinc/16/08/90/721160890.db2.gz	SMLCXAQYGHIJNK-GJZGRUSLSA-N	1	1	436.894	2.852	20	30		IFEDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccccc4c(Cl)c3C#N)CC2)C1	ZINC001164875359	721283296	/nfs/dbraw/zinc/28/32/96/721283296.db2.gz	VUBSYXWLYLVZKI-UHFFFAOYSA-N	1	1	441.963	2.767	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2	ZINC001164784983	721366847	/nfs/dbraw/zinc/36/68/47/721366847.db2.gz	RSNVIMSFRCQGNF-XMMPIXPASA-N	1	1	439.560	2.721	20	30		IFEDMO
C=CCNC(=O)c1cccnc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2	ZINC001164784983	721366850	/nfs/dbraw/zinc/36/68/50/721366850.db2.gz	RSNVIMSFRCQGNF-XMMPIXPASA-N	1	1	439.560	2.721	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4ccc(Cl)nc4C#N)C3)O2)CC1	ZINC001164887282	721401269	/nfs/dbraw/zinc/40/12/69/721401269.db2.gz	LUBCRMSNDMRRPY-OXQOHEQNSA-N	1	1	439.938	2.917	20	30		IFEDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4nc(Cl)ccc4C#N)C3)O2)CC1	ZINC001164887194	721414623	/nfs/dbraw/zinc/41/46/23/721414623.db2.gz	LJMHBDJHNKOTNR-YLJYHZDGSA-N	1	1	439.938	2.917	20	30		IFEDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2	ZINC001164790056	721459647	/nfs/dbraw/zinc/45/96/47/721459647.db2.gz	ZFYQYZYEQPCQDV-LJQANCHMSA-N	1	1	429.521	2.595	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164807207	721540577	/nfs/dbraw/zinc/54/05/77/721540577.db2.gz	QKBSWKSSCMKRHM-ULQDDVLXSA-N	1	1	448.980	2.923	20	30		IFEDMO
CSc1nc(Cl)c(C=NO)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164807207	721540579	/nfs/dbraw/zinc/54/05/79/721540579.db2.gz	QKBSWKSSCMKRHM-ULQDDVLXSA-N	1	1	448.980	2.923	20	30		IFEDMO