smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCCC1	ZINC000057991498	518747215	/nfs/dbraw/zinc/74/72/15/518747215.db2.gz	NGWQJQMUHDGBMZ-UHFFFAOYSA-N	1	1	441.597	3.103	50	30		IGEAMO
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000022917369	519047272	/nfs/dbraw/zinc/04/72/72/519047272.db2.gz	XXTHPBIBRBMIGS-HSZRJFAPSA-N	1	1	447.579	3.468	50	30		IGEAMO
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[NH+]1CCC2(CC1)OCCO2	ZINC000082059605	521369515	/nfs/dbraw/zinc/36/95/15/521369515.db2.gz	ONLPJGMXXNUEHT-UHFFFAOYSA-N	1	1	431.489	3.170	50	30		IGEAMO
C[C@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1ccccc1F	ZINC000013031437	525306715	/nfs/dbraw/zinc/30/67/15/525306715.db2.gz	OURQUDZIHNSBPP-INIZCTEOSA-N	1	1	446.548	3.366	50	30		IGEAMO
N#Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1	ZINC000022908163	526741840	/nfs/dbraw/zinc/74/18/40/526741840.db2.gz	GXIGKOJOQYRYFG-OAQYLSRUSA-N	1	1	430.533	3.474	50	30		IGEAMO
N#Cc1ccccc1NC(=O)C(=O)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1	ZINC000022908163	526741847	/nfs/dbraw/zinc/74/18/47/526741847.db2.gz	GXIGKOJOQYRYFG-OAQYLSRUSA-N	1	1	430.533	3.474	50	30		IGEAMO
Cc1nc2ccccc2n(CC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1=O	ZINC000032974629	556595750	/nfs/dbraw/zinc/59/57/50/556595750.db2.gz	MTGRHDJHLRZYSG-UHFFFAOYSA-N	1	1	439.947	3.137	50	30		IGEAMO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000022935208	557052458	/nfs/dbraw/zinc/05/24/58/557052458.db2.gz	SFVQUXKJSGQENW-OAQYLSRUSA-N	1	1	433.474	3.329	50	30		IGEAMO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000022935208	557052462	/nfs/dbraw/zinc/05/24/62/557052462.db2.gz	SFVQUXKJSGQENW-OAQYLSRUSA-N	1	1	433.474	3.329	50	30		IGEAMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1	ZINC000026609117	568902704	/nfs/dbraw/zinc/90/27/04/568902704.db2.gz	UHTXWRTVIZHTTM-UHFFFAOYSA-N	1	1	430.430	3.364	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@@H](c1cn(Cc4ccccc4)c4ccccc14)[N@H+](C)C[C@]3(C)OC2=O	ZINC000252629936	569203835	/nfs/dbraw/zinc/20/38/35/569203835.db2.gz	UQNWCSVKAOWFCG-CPPMQADQSA-N	1	1	446.503	3.063	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@@H](c1cn(Cc4ccccc4)c4ccccc14)[N@@H+](C)C[C@]3(C)OC2=O	ZINC000252629936	569203837	/nfs/dbraw/zinc/20/38/37/569203837.db2.gz	UQNWCSVKAOWFCG-CPPMQADQSA-N	1	1	446.503	3.063	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1	ZINC000008836738	569478125	/nfs/dbraw/zinc/47/81/25/569478125.db2.gz	OJPOKESGMMNQLV-HXUWFJFHSA-N	1	1	438.915	3.436	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(Cl)cc1	ZINC000008836738	569478126	/nfs/dbraw/zinc/47/81/26/569478126.db2.gz	OJPOKESGMMNQLV-HXUWFJFHSA-N	1	1	438.915	3.436	50	30		IGEAMO
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC000040149640	569492619	/nfs/dbraw/zinc/49/26/19/569492619.db2.gz	CGGVPONFUGTVFS-NHCUHLMSSA-N	1	1	426.561	3.286	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](C)O	ZINC000036308965	518751290	/nfs/dbraw/zinc/75/12/90/518751290.db2.gz	UTQCNNGVFXOXKJ-UTKZUKDTSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](C)O	ZINC000036308965	518751295	/nfs/dbraw/zinc/75/12/95/518751295.db2.gz	UTQCNNGVFXOXKJ-UTKZUKDTSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](C)O	ZINC000036309362	518752671	/nfs/dbraw/zinc/75/26/71/518752671.db2.gz	QSJAYEPDGWRSRI-MJGOQNOKSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](C)O	ZINC000036309362	518752676	/nfs/dbraw/zinc/75/26/76/518752676.db2.gz	QSJAYEPDGWRSRI-MJGOQNOKSA-N	1	1	430.570	3.130	50	30		IGEAMO
COc1ccc(CN2CC[N@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@H]2CCO)c(F)c1	ZINC000022853000	524033080	/nfs/dbraw/zinc/03/30/80/524033080.db2.gz	JZBOLQMPDIATHD-LJQANCHMSA-N	1	1	446.588	3.087	50	30		IGEAMO
COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@H]2CCO)c(F)c1	ZINC000022853000	524033082	/nfs/dbraw/zinc/03/30/82/524033082.db2.gz	JZBOLQMPDIATHD-LJQANCHMSA-N	1	1	446.588	3.087	50	30		IGEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2F)c(O)c1	ZINC000020309744	557007247	/nfs/dbraw/zinc/00/72/47/557007247.db2.gz	AEEBTKMVFJGEMW-FQEVSTJZSA-N	1	1	428.460	3.070	50	30		IGEAMO
C=CC[NH+]1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2cc(C)cc(C)c2)CC1	ZINC000033300595	557082386	/nfs/dbraw/zinc/08/23/86/557082386.db2.gz	VDBYMNLWOGJMDR-UHFFFAOYSA-N	1	1	432.524	3.097	50	30		IGEAMO
C(#C[Si](C#CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1)CN1CCCCC1	ZINC000223245275	557213347	/nfs/dbraw/zinc/21/33/47/557213347.db2.gz	LSQFTVRGNZJXQS-UHFFFAOYSA-N	1	1	426.680	3.307	50	30		IGEAMO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@H+](C)Cc1csc(C)n1)C2	ZINC000014743716	568827034	/nfs/dbraw/zinc/82/70/34/568827034.db2.gz	DMFXYAUNHIPYSV-KRWDZBQOSA-N	1	1	431.631	3.012	50	30		IGEAMO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@@H+](C)Cc1csc(C)n1)C2	ZINC000014743716	568827035	/nfs/dbraw/zinc/82/70/35/568827035.db2.gz	DMFXYAUNHIPYSV-KRWDZBQOSA-N	1	1	431.631	3.012	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1cccc(F)c1	ZINC000020310167	569360035	/nfs/dbraw/zinc/36/00/35/569360035.db2.gz	VRVJVRVIFPOKAO-OAQYLSRUSA-N	1	1	442.487	3.460	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146716	518304738	/nfs/dbraw/zinc/30/47/38/518304738.db2.gz	OFQZXAZXDWSKJE-GMAHTHKFSA-N	1	1	442.943	3.355	50	30		IGEAMO
C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870976	518931099	/nfs/dbraw/zinc/93/10/99/518931099.db2.gz	DHCBSMYGKSBTBC-RBBKRZOGSA-N	1	1	440.931	3.414	50	30		IGEAMO
COc1ccc(C/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\O)cc1OC	ZINC000059409591	523864951	/nfs/dbraw/zinc/86/49/51/523864951.db2.gz	GMVIRSAADBNHLX-MXJLDLDKSA-N	1	1	428.485	3.433	50	30		IGEAMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000100201823	557366930	/nfs/dbraw/zinc/36/69/30/557366930.db2.gz	GJGMEQXVOWSZFX-HSGJQSDISA-N	1	1	447.922	3.352	50	30		IGEAMO
O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012050077	562980556	/nfs/dbraw/zinc/98/05/56/562980556.db2.gz	ITNJZGBIMKEQJL-HSZRJFAPSA-N	1	1	428.536	3.457	50	30		IGEAMO
O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)cc2)C1	ZINC000012050079	562980562	/nfs/dbraw/zinc/98/05/62/562980562.db2.gz	ITNJZGBIMKEQJL-QHCPKHFHSA-N	1	1	428.536	3.457	50	30		IGEAMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000138544279	568796034	/nfs/dbraw/zinc/79/60/34/568796034.db2.gz	GJGMEQXVOWSZFX-VWEIPLKFSA-N	1	1	447.922	3.352	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](C)O	ZINC000169681937	568992790	/nfs/dbraw/zinc/99/27/90/568992790.db2.gz	UTQCNNGVFXOXKJ-DYESRHJHSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](C)O	ZINC000169681937	568992791	/nfs/dbraw/zinc/99/27/91/568992791.db2.gz	UTQCNNGVFXOXKJ-DYESRHJHSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CCN(Cc1cccs1)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000008883394	569483038	/nfs/dbraw/zinc/48/30/38/569483038.db2.gz	VJAYXYANYCFRBG-UHFFFAOYSA-N	1	1	441.553	3.342	50	30		IGEAMO
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC000040149639	569492500	/nfs/dbraw/zinc/49/25/00/569492500.db2.gz	CGGVPONFUGTVFS-LEWJYISDSA-N	1	1	426.561	3.286	50	30		IGEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146839	518313830	/nfs/dbraw/zinc/31/38/30/518313830.db2.gz	FZDBPQHYLMJSSP-RTWAWAEBSA-N	1	1	430.907	3.485	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146839	518313837	/nfs/dbraw/zinc/31/38/37/518313837.db2.gz	FZDBPQHYLMJSSP-RTWAWAEBSA-N	1	1	430.907	3.485	50	30		IGEAMO
COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)C1=CC(=O)CC(C)(C)O1	ZINC000012298639	523688232	/nfs/dbraw/zinc/68/82/32/523688232.db2.gz	SJXZHXAUQOSNQE-UHFFFAOYSA-N	1	1	432.536	3.165	50	30		IGEAMO
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1	ZINC000022908165	526741011	/nfs/dbraw/zinc/74/10/11/526741011.db2.gz	GXIGKOJOQYRYFG-NRFANRHFSA-N	1	1	430.533	3.474	50	30		IGEAMO
N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1	ZINC000022908165	526741013	/nfs/dbraw/zinc/74/10/13/526741013.db2.gz	GXIGKOJOQYRYFG-NRFANRHFSA-N	1	1	430.533	3.474	50	30		IGEAMO
COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Br)cc2Cl)cc1OC	ZINC000015857355	556557999	/nfs/dbraw/zinc/55/79/99/556557999.db2.gz	FBEHXEZKLQFECY-UHFFFAOYSA-N	1	1	443.681	3.362	50	30		IGEAMO
COc1ccc(C(=O)/C=C/c2cn(C[C@H](O)C[NH+]3CCN(C)CC3)c3ccccc23)cc1	ZINC000019901304	556942045	/nfs/dbraw/zinc/94/20/45/556942045.db2.gz	YAZNRJMYUBQGGZ-RUCTVCJSSA-N	1	1	433.552	3.154	50	30		IGEAMO
COc1ccc(C[N@@H+]2CCN(Cc3ccc(C#CC(C)(C)O)s3)C[C@H]2CCO)cc1C	ZINC000104477664	568837551	/nfs/dbraw/zinc/83/75/51/568837551.db2.gz	DCFSOODORVAEHC-OAQYLSRUSA-N	1	1	442.625	3.256	50	30		IGEAMO
COc1ccc(C[N@H+]2CCN(Cc3ccc(C#CC(C)(C)O)s3)C[C@H]2CCO)cc1C	ZINC000104477664	568837552	/nfs/dbraw/zinc/83/75/52/568837552.db2.gz	DCFSOODORVAEHC-OAQYLSRUSA-N	1	1	442.625	3.256	50	30		IGEAMO
COc1ccc(CN2CC[N@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@H]2CCO)cc1C	ZINC000104477664	568837553	/nfs/dbraw/zinc/83/75/53/568837553.db2.gz	DCFSOODORVAEHC-OAQYLSRUSA-N	1	1	442.625	3.256	50	30		IGEAMO
COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@H]2CCO)cc1C	ZINC000104477664	568837554	/nfs/dbraw/zinc/83/75/54/568837554.db2.gz	DCFSOODORVAEHC-OAQYLSRUSA-N	1	1	442.625	3.256	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000169677428	568989706	/nfs/dbraw/zinc/98/97/06/568989706.db2.gz	OFQZXAZXDWSKJE-GGAORHGYSA-N	1	1	442.943	3.355	50	30		IGEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000169678003	568990401	/nfs/dbraw/zinc/99/04/01/568990401.db2.gz	KGRFGQQSWBALAH-GGAORHGYSA-N	1	1	428.504	3.393	50	30		IGEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c(O)c1	ZINC000020309699	569359898	/nfs/dbraw/zinc/35/98/98/569359898.db2.gz	OFWFQBGUTVTLLK-HXUWFJFHSA-N	1	1	428.460	3.070	50	30		IGEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1cccnc1	ZINC000020310249	569360068	/nfs/dbraw/zinc/36/00/68/569360068.db2.gz	MHJIRLPJAAOSFX-OAQYLSRUSA-N	1	1	439.512	3.106	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(Cl)cc1	ZINC000008836736	569478191	/nfs/dbraw/zinc/47/81/91/569478191.db2.gz	OJPOKESGMMNQLV-FQEVSTJZSA-N	1	1	438.915	3.436	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(Cl)cc1	ZINC000008836736	569478192	/nfs/dbraw/zinc/47/81/92/569478192.db2.gz	OJPOKESGMMNQLV-FQEVSTJZSA-N	1	1	438.915	3.436	50	30		IGEAMO
C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CC[N@H+](C3CCOCC3)C4)c2C)c1	ZINC000071890402	518367106	/nfs/dbraw/zinc/36/71/06/518367106.db2.gz	YYVQGSGDLAQQAC-UHFFFAOYSA-N	1	1	441.535	3.346	50	30		IGEAMO
C=C(C)C[NH+]1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2[N+](=O)[O-])CC1	ZINC000101385138	518607821	/nfs/dbraw/zinc/60/78/21/518607821.db2.gz	NYOXDSCOBHSMEA-QXAKKESOSA-N	1	1	426.517	3.219	50	30		IGEAMO
CC[N@@H+](CCC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1)CC(C)C	ZINC000095459635	521001868	/nfs/dbraw/zinc/00/18/68/521001868.db2.gz	UUBOZUWTTXVZNV-UHFFFAOYSA-N	1	1	448.633	3.099	50	30		IGEAMO
COc1ccc(C/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N@@H+]2C)=N\O)cc1OC	ZINC000033881890	556719861	/nfs/dbraw/zinc/71/98/61/556719861.db2.gz	GMVIRSAADBNHLX-FLVDCRJSSA-N	1	1	428.485	3.433	50	30		IGEAMO
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)cc1	ZINC000102797471	557388767	/nfs/dbraw/zinc/38/87/67/557388767.db2.gz	MSHWJKYIGYCOEE-MOBKVPTQSA-N	1	1	447.491	3.412	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1	ZINC000104985302	568623374	/nfs/dbraw/zinc/62/33/74/568623374.db2.gz	QMWDHTUKPBFFIW-WOJBJXKFSA-N	1	1	430.907	3.485	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104985077	568623584	/nfs/dbraw/zinc/62/35/84/568623584.db2.gz	KUWPMXAOQKEIJM-FCHUYYIVSA-N	1	1	430.907	3.485	50	30		IGEAMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCCSCc1ccccc1C#N	ZINC000028724779	569418863	/nfs/dbraw/zinc/41/88/63/569418863.db2.gz	BDCGNBFFLXOICS-SFHVURJKSA-N	1	1	434.569	3.181	50	30		IGEAMO
N#Cc1c2c(c(-c3ccccc3)nc1N1CCN(C(=O)C[NH2+]Cc3ccco3)CC1)CCC2	ZINC000009410768	132316145	/nfs/dbraw/zinc/31/61/45/132316145.db2.gz	BDOVSVHXNAJDNF-UHFFFAOYSA-N	1	1	441.535	3.140	50	30		IGEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000036146994	518994697	/nfs/dbraw/zinc/99/46/97/518994697.db2.gz	MOXUAYSXJSMMAN-RTWAWAEBSA-N	1	1	442.487	3.113	50	30		IGEAMO
CCN(CCC#N)c1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c(C)c1	ZINC000012741253	520978804	/nfs/dbraw/zinc/97/88/04/520978804.db2.gz	RRYMMAHSDBXUKQ-QFIPXVFZSA-N	1	1	445.527	3.342	50	30		IGEAMO
CC[NH+]1CCN(CC(=O)[C@@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1	ZINC000022035832	521676979	/nfs/dbraw/zinc/67/69/79/521676979.db2.gz	VHZYPYZXZFMUEC-MRXNPFEDSA-N	1	1	433.375	3.386	50	30		IGEAMO
N#Cc1c(Cl)nc(NCCC[NH+]2CCOCC2)c2c1CCN(Cc1ccccc1)C2	ZINC000013739074	556723335	/nfs/dbraw/zinc/72/33/35/556723335.db2.gz	MTOUYUBGVOYABM-UHFFFAOYSA-N	1	1	425.964	3.299	50	30		IGEAMO
C=CCOc1ccccc1C[N@@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1	ZINC000020364102	568855967	/nfs/dbraw/zinc/85/59/67/568855967.db2.gz	XBJREJQIHMXSBG-UHFFFAOYSA-N	1	1	437.588	3.140	50	30		IGEAMO
C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677514	568883641	/nfs/dbraw/zinc/88/36/41/568883641.db2.gz	DHCBSMYGKSBTBC-UNMCSNQZSA-N	1	1	440.931	3.414	50	30		IGEAMO
COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@H]4CCC[N@H+]4C)[C@@H](C)C3=O)n2)c1	ZINC000169678627	568989900	/nfs/dbraw/zinc/98/99/00/568989900.db2.gz	AHTWJWHMEYZGSU-LSDHHAIUSA-N	1	1	442.585	3.212	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146568	518312213	/nfs/dbraw/zinc/31/22/13/518312213.db2.gz	KUWPMXAOQKEIJM-YADHBBJMSA-N	1	1	430.907	3.485	50	30		IGEAMO
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2	ZINC000082059016	521369467	/nfs/dbraw/zinc/36/94/67/521369467.db2.gz	WKMOITBATSCTEV-CQSZACIVSA-N	1	1	431.489	3.169	50	30		IGEAMO
CCOC(=O)CCc1c(C)nc(NC(=[NH2+])Nc2ccc(Oc3ccccc3)cc2)[nH]c1=O	ZINC000019899167	556941477	/nfs/dbraw/zinc/94/14/77/556941477.db2.gz	JDARYUBSEMUURA-UHFFFAOYSA-N	1	1	435.484	3.425	50	30		IGEAMO
C=CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000104983257	568623877	/nfs/dbraw/zinc/62/38/77/568623877.db2.gz	MOXUAYSXJSMMAN-NHCUHLMSSA-N	1	1	442.487	3.113	50	30		IGEAMO
COc1ccc(C[N@@H+]2CCN(Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)cc1C	ZINC000023360223	568859669	/nfs/dbraw/zinc/85/96/69/568859669.db2.gz	DCFSOODORVAEHC-NRFANRHFSA-N	1	1	442.625	3.256	50	30		IGEAMO
COc1ccc(C[N@H+]2CCN(Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)cc1C	ZINC000023360223	568859670	/nfs/dbraw/zinc/85/96/70/568859670.db2.gz	DCFSOODORVAEHC-NRFANRHFSA-N	1	1	442.625	3.256	50	30		IGEAMO
COc1ccc(CN2CC[N@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)cc1C	ZINC000023360223	568859673	/nfs/dbraw/zinc/85/96/73/568859673.db2.gz	DCFSOODORVAEHC-NRFANRHFSA-N	1	1	442.625	3.256	50	30		IGEAMO
COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)cc1C	ZINC000023360223	568859675	/nfs/dbraw/zinc/85/96/75/568859675.db2.gz	DCFSOODORVAEHC-NRFANRHFSA-N	1	1	442.625	3.256	50	30		IGEAMO
C=CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1	ZINC000036340218	123251233	/nfs/dbraw/zinc/25/12/33/123251233.db2.gz	QUJWPTNGTBIIOW-FQEVSTJZSA-N	1	1	430.980	3.023	50	30		IGEAMO
C=C(C)COc1cc2oc(=O)c(CC(=O)NCCC[NH+]3CCOCC3)c(C)c2cc1Cl	ZINC000013609925	518611196	/nfs/dbraw/zinc/61/11/96/518611196.db2.gz	HKVVMHYQBYYGET-UHFFFAOYSA-N	1	1	448.947	3.091	50	30		IGEAMO
C=CC[NH+]1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2cccc(Cl)c2)CC1	ZINC000065306657	518866835	/nfs/dbraw/zinc/86/68/35/518866835.db2.gz	RSUSLGFAMTYIBC-UHFFFAOYSA-N	1	1	438.915	3.134	50	30		IGEAMO
[NH2+]=C(NOC(=O)c1ccc(Cl)cc1)c1cccc(CS(=O)(=O)c2ccccn2)c1	ZINC000013466039	526809916	/nfs/dbraw/zinc/80/99/16/526809916.db2.gz	BMGWUGAVANWHFS-UHFFFAOYSA-N	1	1	429.885	3.186	50	30		IGEAMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12	ZINC000100206597	557367463	/nfs/dbraw/zinc/36/74/63/557367463.db2.gz	JNHADTJUPUDAGI-CQAGSAPUSA-N	1	1	427.504	3.088	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H]1CCCO1	ZINC000104996510	568623808	/nfs/dbraw/zinc/62/38/08/568623808.db2.gz	NFBPLVVTNWPSNV-YADHBBJMSA-N	1	1	441.572	3.180	50	30		IGEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)CC1	ZINC000014999008	568827933	/nfs/dbraw/zinc/82/79/33/568827933.db2.gz	LQEMIEQIXKVDNP-OAQYLSRUSA-N	1	1	437.563	3.437	50	30		IGEAMO
C=C(C)C[NH+]1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@@H]4C3=O)cc2[N+](=O)[O-])CC1	ZINC000169694760	569076649	/nfs/dbraw/zinc/07/66/49/569076649.db2.gz	NYOXDSCOBHSMEA-UHOSZYNNSA-N	1	1	426.517	3.219	50	30		IGEAMO
COc1cc(C=NN2CC[NH+](Cc3ccc(C)cc3C)CC2)cc(OC)c1OC(C)=O	ZINC000019849402	569330352	/nfs/dbraw/zinc/33/03/52/569330352.db2.gz	WQXTXVXCHLDQLK-UHFFFAOYSA-N	1	1	425.529	3.398	50	30		IGEAMO
CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC000040149642	569492508	/nfs/dbraw/zinc/49/25/08/569492508.db2.gz	CGGVPONFUGTVFS-RTWAWAEBSA-N	1	1	426.561	3.286	50	30		IGEAMO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(F)cc1	ZINC000009042036	569497729	/nfs/dbraw/zinc/49/77/29/569497729.db2.gz	MAMKWZAUMUCZPL-FQEVSTJZSA-N	1	1	436.487	3.230	50	30		IGEAMO
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(F)cc1	ZINC000009042036	569497730	/nfs/dbraw/zinc/49/77/30/569497730.db2.gz	MAMKWZAUMUCZPL-FQEVSTJZSA-N	1	1	436.487	3.230	50	30		IGEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1	ZINC000036249949	518993033	/nfs/dbraw/zinc/99/30/33/518993033.db2.gz	NIJUZTYXLXHPAZ-HXUWFJFHSA-N	1	1	429.586	3.423	50	30		IGEAMO
C=CCOC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1	ZINC000036340219	518995427	/nfs/dbraw/zinc/99/54/27/518995427.db2.gz	QUJWPTNGTBIIOW-HXUWFJFHSA-N	1	1	430.980	3.023	50	30		IGEAMO
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000022917375	519049690	/nfs/dbraw/zinc/04/96/90/519049690.db2.gz	XXTHPBIBRBMIGS-QHCPKHFHSA-N	1	1	447.579	3.468	50	30		IGEAMO
CN(C)c1ccc(/C=[NH+]\NC(=S)SCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1	ZINC000033347289	556562368	/nfs/dbraw/zinc/56/23/68/556562368.db2.gz	CMIXUZVPVQMZSS-BARWYSOVSA-N	1	1	432.615	3.463	50	30		IGEAMO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000022935212	557052569	/nfs/dbraw/zinc/05/25/69/557052569.db2.gz	SFVQUXKJSGQENW-NRFANRHFSA-N	1	1	433.474	3.329	50	30		IGEAMO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1	ZINC000022935212	557052571	/nfs/dbraw/zinc/05/25/71/557052571.db2.gz	SFVQUXKJSGQENW-NRFANRHFSA-N	1	1	433.474	3.329	50	30		IGEAMO
COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)CC1	ZINC000019794485	568855114	/nfs/dbraw/zinc/85/51/14/568855114.db2.gz	YAKDAHJNUUCLPI-VWLOTQADSA-N	1	1	433.596	3.216	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1ccccc1F	ZINC000020310113	569360074	/nfs/dbraw/zinc/36/00/74/569360074.db2.gz	ORMSREJYUWICBH-NRFANRHFSA-N	1	1	442.487	3.460	50	30		IGEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146879	518989224	/nfs/dbraw/zinc/98/92/24/518989224.db2.gz	KGRFGQQSWBALAH-JTHBVZDNSA-N	1	1	428.504	3.393	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1ccc(F)cc1	ZINC000020310183	569360112	/nfs/dbraw/zinc/36/01/12/569360112.db2.gz	DRHFJCBEQIWHLX-NRFANRHFSA-N	1	1	442.487	3.460	50	30		IGEAMO
N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000040072505	569485901	/nfs/dbraw/zinc/48/59/01/569485901.db2.gz	NTGNJAIOAGSIGX-UHFFFAOYSA-N	1	1	445.523	3.367	50	30		IGEAMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)Cc3ccccc3-c3ccccc3)CC2)o1	ZINC000060356483	569587241	/nfs/dbraw/zinc/58/72/41/569587241.db2.gz	MHURDTKACUKGFX-UHFFFAOYSA-N	1	1	429.524	3.302	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1	ZINC000036157053	518305274	/nfs/dbraw/zinc/30/52/74/518305274.db2.gz	UNUAELQPLRTMQV-KRWDZBQOSA-N	1	1	429.586	3.009	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146842	518305385	/nfs/dbraw/zinc/30/53/85/518305385.db2.gz	FZDBPQHYLMJSSP-SFTDATJTSA-N	1	1	430.907	3.485	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146842	518305388	/nfs/dbraw/zinc/30/53/88/518305388.db2.gz	FZDBPQHYLMJSSP-SFTDATJTSA-N	1	1	430.907	3.485	50	30		IGEAMO
C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870975	518921674	/nfs/dbraw/zinc/92/16/74/518921674.db2.gz	DHCBSMYGKSBTBC-IFMALSPDSA-N	1	1	440.931	3.414	50	30		IGEAMO
COc1ccccc1N1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C4=C(C)C(=O)C=C[C@]4(C)CC[C@@H]23)CC1	ZINC000061991195	524557141	/nfs/dbraw/zinc/55/71/41/524557141.db2.gz	ZPFCKLJVWGPBDI-MFSGBWHHSA-N	1	1	436.552	3.231	50	30		IGEAMO
[NH2+]=C(NOC(=O)CCn1cccc(C(F)(F)F)c1=O)c1ccc(OC(F)(F)F)cc1	ZINC000012369868	526803178	/nfs/dbraw/zinc/80/31/78/526803178.db2.gz	UWTXSVRHIJYBOL-UHFFFAOYSA-N	1	1	437.296	3.020	50	30		IGEAMO
COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@@H]4CCC[N@H+]4C)[C@@H](C)C3=O)n2)c1	ZINC000101319790	557273095	/nfs/dbraw/zinc/27/30/95/557273095.db2.gz	AHTWJWHMEYZGSU-GJZGRUSLSA-N	1	1	442.585	3.212	50	30		IGEAMO
C=C(C)C[NH+]1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@@H]4C3=O)cc2[N+](=O)[O-])CC1	ZINC000104798410	557461988	/nfs/dbraw/zinc/46/19/88/557461988.db2.gz	NYOXDSCOBHSMEA-QRQLOZEOSA-N	1	1	426.517	3.219	50	30		IGEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)CC1	ZINC000011913551	568821102	/nfs/dbraw/zinc/82/11/02/568821102.db2.gz	JECUGBAILXDTPT-JOCHJYFZSA-N	1	1	434.588	3.083	50	30		IGEAMO
C=CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036312976	518984552	/nfs/dbraw/zinc/98/45/52/518984552.db2.gz	JBQDZQIGWJBDAK-NRFANRHFSA-N	1	1	429.561	3.344	50	30		IGEAMO
N#Cc1ccc(C[NH+]2CCN(Cc3cc4c(cc3Br)OCCO4)CC2)cc1	ZINC000022918835	526615175	/nfs/dbraw/zinc/61/51/75/526615175.db2.gz	LGHKHHFWJNHVSJ-UHFFFAOYSA-N	1	1	428.330	3.410	50	30		IGEAMO
COc1ccc(C(=[NH2+])NOC(=O)COc2cc(C)c(Br)cc2C)cc1OC	ZINC000016447652	556608061	/nfs/dbraw/zinc/60/80/61/556608061.db2.gz	KEZRZDNEQOLOCE-UHFFFAOYSA-N	1	1	437.290	3.326	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104985356	568623649	/nfs/dbraw/zinc/62/36/49/568623649.db2.gz	FZDBPQHYLMJSSP-LEWJYISDSA-N	1	1	430.907	3.485	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104985356	568623651	/nfs/dbraw/zinc/62/36/51/568623651.db2.gz	FZDBPQHYLMJSSP-LEWJYISDSA-N	1	1	430.907	3.485	50	30		IGEAMO
COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)CC1	ZINC000019794484	568855184	/nfs/dbraw/zinc/85/51/84/568855184.db2.gz	YAKDAHJNUUCLPI-RUZDIDTESA-N	1	1	433.596	3.216	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@@H](C)O	ZINC000169681295	568992008	/nfs/dbraw/zinc/99/20/08/568992008.db2.gz	YIDWWZTVVZUGKK-DYESRHJHSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@@H](C)O	ZINC000169681295	568992011	/nfs/dbraw/zinc/99/20/11/568992011.db2.gz	YIDWWZTVVZUGKK-DYESRHJHSA-N	1	1	430.570	3.130	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@H](c1cn(Cc4ccccc4)c4ccccc14)[N@H+](C)C[C@@]3(C)OC2=O	ZINC000230242020	569440457	/nfs/dbraw/zinc/44/04/57/569440457.db2.gz	UQNWCSVKAOWFCG-ATPOPXNDSA-N	1	1	446.503	3.063	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@H](c1cn(Cc4ccccc4)c4ccccc14)[N@@H+](C)C[C@@]3(C)OC2=O	ZINC000230242020	569440458	/nfs/dbraw/zinc/44/04/58/569440458.db2.gz	UQNWCSVKAOWFCG-ATPOPXNDSA-N	1	1	446.503	3.063	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H]1CCCO1	ZINC000036245896	518302511	/nfs/dbraw/zinc/30/25/11/518302511.db2.gz	NFBPLVVTNWPSNV-VXKWHMMOSA-N	1	1	441.572	3.180	50	30		IGEAMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(NC(=O)Cc3ccc(O)cc3)CC2)cc1	ZINC000078969257	569320779	/nfs/dbraw/zinc/32/07/79/569320779.db2.gz	ONCSSGYWPMUMLC-HXUWFJFHSA-N	1	1	448.567	3.159	50	30		IGEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1ccncc1	ZINC000020310252	569360137	/nfs/dbraw/zinc/36/01/37/569360137.db2.gz	HLXOBJAEZQYIAB-NRFANRHFSA-N	1	1	439.512	3.106	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146569	518305001	/nfs/dbraw/zinc/30/50/01/518305001.db2.gz	KUWPMXAOQKEIJM-VXKWHMMOSA-N	1	1	430.907	3.485	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1	ZINC000036146731	518306478	/nfs/dbraw/zinc/30/64/78/518306478.db2.gz	QMWDHTUKPBFFIW-PMACEKPBSA-N	1	1	430.907	3.485	50	30		IGEAMO
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)cc1	ZINC000022698995	518772502	/nfs/dbraw/zinc/77/25/02/518772502.db2.gz	DQQTVQHMNSPNNP-UHFFFAOYSA-N	1	1	446.598	3.136	50	30		IGEAMO
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)cc1	ZINC000022698995	518772507	/nfs/dbraw/zinc/77/25/07/518772507.db2.gz	DQQTVQHMNSPNNP-UHFFFAOYSA-N	1	1	446.598	3.136	50	30		IGEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000036146998	518988904	/nfs/dbraw/zinc/98/89/04/518988904.db2.gz	MOXUAYSXJSMMAN-SFTDATJTSA-N	1	1	442.487	3.113	50	30		IGEAMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCC[N@H+]12	ZINC000015021618	568828052	/nfs/dbraw/zinc/82/80/52/568828052.db2.gz	JNHADTJUPUDAGI-MSZDEVHKSA-N	1	1	427.504	3.088	50	30		IGEAMO
C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000170597297	569142050	/nfs/dbraw/zinc/14/20/50/569142050.db2.gz	MWWWFEJFGHWCNM-LJQANCHMSA-N	1	1	428.540	3.483	50	30		IGEAMO
COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@H]4CCC[N@H+]4C)[C@H](C)C3=O)n2)c1	ZINC000253388915	569264251	/nfs/dbraw/zinc/26/42/51/569264251.db2.gz	AHTWJWHMEYZGSU-HUUCEWRRSA-N	1	1	442.585	3.212	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036313028	518297636	/nfs/dbraw/zinc/29/76/36/518297636.db2.gz	WZULRBCIXDOZRJ-QFIPXVFZSA-N	1	1	441.572	3.181	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)cc1OC[C@@H](O)CN1CCN(C)CC1	ZINC000020538080	518689801	/nfs/dbraw/zinc/68/98/01/518689801.db2.gz	ATQGSXGHCZXSOI-QHCPKHFHSA-N	1	1	443.632	3.169	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)cc1OC[C@@H](O)CN1CCN(C)CC1	ZINC000020538080	518689809	/nfs/dbraw/zinc/68/98/09/518689809.db2.gz	ATQGSXGHCZXSOI-QHCPKHFHSA-N	1	1	443.632	3.169	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)cc1OC[C@H](O)CN1CCN(C)CC1	ZINC000020538083	518690559	/nfs/dbraw/zinc/69/05/59/518690559.db2.gz	ATQGSXGHCZXSOI-HSZRJFAPSA-N	1	1	443.632	3.169	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)cc1OC[C@H](O)CN1CCN(C)CC1	ZINC000020538083	518690564	/nfs/dbraw/zinc/69/05/64/518690564.db2.gz	ATQGSXGHCZXSOI-HSZRJFAPSA-N	1	1	443.632	3.169	50	30		IGEAMO
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)C2)cc1	ZINC000025081352	568635588	/nfs/dbraw/zinc/63/55/88/568635588.db2.gz	XHZPNCXAAQQZOG-VWLOTQADSA-N	1	1	444.579	3.453	50	30		IGEAMO
Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)C2)cc1	ZINC000025081352	568635590	/nfs/dbraw/zinc/63/55/90/568635590.db2.gz	XHZPNCXAAQQZOG-VWLOTQADSA-N	1	1	444.579	3.453	50	30		IGEAMO
C=CCOc1ccccc1C[N@@H+]1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1	ZINC000014977126	568827875	/nfs/dbraw/zinc/82/78/75/568827875.db2.gz	BLWVUHQOMWWCPU-UHFFFAOYSA-N	1	1	435.528	3.041	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1	ZINC000023375173	568859685	/nfs/dbraw/zinc/85/96/85/568859685.db2.gz	SJHNIRKJBAOVQH-HSZRJFAPSA-N	1	1	443.632	3.169	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1	ZINC000023375173	568859687	/nfs/dbraw/zinc/85/96/87/568859687.db2.gz	SJHNIRKJBAOVQH-HSZRJFAPSA-N	1	1	443.632	3.169	50	30		IGEAMO
COc1ccc(/C=C2\Oc3cc(OCC(=O)NCCn4cc[nH+]c4C)ccc3C2=O)cc1	ZINC000253411338	569265708	/nfs/dbraw/zinc/26/57/08/569265708.db2.gz	OMWMSUHUQHQTPE-XKZIYDEJSA-N	1	1	433.464	3.012	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1ccc(F)cc1	ZINC000020310186	569359982	/nfs/dbraw/zinc/35/99/82/569359982.db2.gz	DRHFJCBEQIWHLX-OAQYLSRUSA-N	1	1	442.487	3.460	50	30		IGEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1ccncc1	ZINC000020310256	569359992	/nfs/dbraw/zinc/35/99/92/569359992.db2.gz	HLXOBJAEZQYIAB-OAQYLSRUSA-N	1	1	439.512	3.106	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](C)O	ZINC000036309361	518752700	/nfs/dbraw/zinc/75/27/00/518752700.db2.gz	QSJAYEPDGWRSRI-HKUYNNGSSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](C)O	ZINC000036309361	518752704	/nfs/dbraw/zinc/75/27/04/518752704.db2.gz	QSJAYEPDGWRSRI-HKUYNNGSSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036312977	518991417	/nfs/dbraw/zinc/99/14/17/518991417.db2.gz	JBQDZQIGWJBDAK-OAQYLSRUSA-N	1	1	429.561	3.344	50	30		IGEAMO
Cc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH2+]CCO)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000025180085	557529157	/nfs/dbraw/zinc/52/91/57/557529157.db2.gz	HEZBOSWZGWWDMH-JOCHJYFZSA-N	1	1	436.552	3.453	50	30		IGEAMO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([N@H+](C)Cc1cccc(OC)c1)C2	ZINC000014536768	568826391	/nfs/dbraw/zinc/82/63/91/568826391.db2.gz	OAPYNCHIOZHRIK-IBGZPJMESA-N	1	1	440.613	3.256	50	30		IGEAMO
C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677513	568883606	/nfs/dbraw/zinc/88/36/06/568883606.db2.gz	DHCBSMYGKSBTBC-IRLDBZIGSA-N	1	1	440.931	3.414	50	30		IGEAMO
CC(=O)N(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1	ZINC000170616785	569146697	/nfs/dbraw/zinc/14/66/97/569146697.db2.gz	CMEBCGWOIRFTQC-NRFANRHFSA-N	1	1	429.561	3.372	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1cccs1	ZINC000020310191	569360044	/nfs/dbraw/zinc/36/00/44/569360044.db2.gz	LQNZGFSFKSGTPK-LJQANCHMSA-N	1	1	430.526	3.382	50	30		IGEAMO
CC[NH+]1CCN(CC(=O)[C@H](C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1	ZINC000022035837	521676727	/nfs/dbraw/zinc/67/67/27/521676727.db2.gz	VHZYPYZXZFMUEC-INIZCTEOSA-N	1	1	433.375	3.386	50	30		IGEAMO
COc1ccc(CN2CC[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CCO)c(F)c1	ZINC000020540336	524032739	/nfs/dbraw/zinc/03/27/39/524032739.db2.gz	OMKPMLSXWQPQRU-QHCPKHFHSA-N	1	1	440.559	3.026	50	30		IGEAMO
COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@@H]2CCO)c(F)c1	ZINC000020540336	524032741	/nfs/dbraw/zinc/03/27/41/524032741.db2.gz	OMKPMLSXWQPQRU-QHCPKHFHSA-N	1	1	440.559	3.026	50	30		IGEAMO
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000019923416	556944352	/nfs/dbraw/zinc/94/43/52/556944352.db2.gz	IOIVYBRZBAWISO-HSZRJFAPSA-N	1	1	433.552	3.294	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104983910	568622903	/nfs/dbraw/zinc/62/29/03/568622903.db2.gz	OFQZXAZXDWSKJE-FYYLOGMGSA-N	1	1	442.943	3.355	50	30		IGEAMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCC[N@H+]12	ZINC000248158009	568919114	/nfs/dbraw/zinc/91/91/14/568919114.db2.gz	JNHADTJUPUDAGI-YGWSKSRPSA-N	1	1	427.504	3.088	50	30		IGEAMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1	ZINC000095410269	569365276	/nfs/dbraw/zinc/36/52/76/569365276.db2.gz	COVSBNLOHDOHIG-UHFFFAOYSA-N	1	1	426.540	3.229	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1	ZINC000036146730	518313127	/nfs/dbraw/zinc/31/31/27/518313127.db2.gz	QMWDHTUKPBFFIW-UXHICEINSA-N	1	1	430.907	3.485	50	30		IGEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccc4OC)n3CC2)CC1	ZINC000012206327	518645048	/nfs/dbraw/zinc/64/50/48/518645048.db2.gz	BEKMOFRJZKYWPS-HXUWFJFHSA-N	1	1	435.572	3.377	50	30		IGEAMO
C=CCOC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340751	518996350	/nfs/dbraw/zinc/99/63/50/518996350.db2.gz	ZZEWKRCHIIDNHG-OAQYLSRUSA-N	1	1	445.007	3.277	50	30		IGEAMO
C=CCO[C@H]1[C@H](NC(=O)COC)c2ccccc2C12CC[NH+](Cc1nccs1)CC2	ZINC000055099751	519000270	/nfs/dbraw/zinc/00/02/70/519000270.db2.gz	MIAPFKQJURJDMU-YADHBBJMSA-N	1	1	427.570	3.065	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](C)O	ZINC000105003391	557470245	/nfs/dbraw/zinc/47/02/45/557470245.db2.gz	QSJAYEPDGWRSRI-PKOBYXMFSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](C)O	ZINC000105003391	557470248	/nfs/dbraw/zinc/47/02/48/557470248.db2.gz	QSJAYEPDGWRSRI-PKOBYXMFSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](C)O	ZINC000105001899	557470347	/nfs/dbraw/zinc/47/03/47/557470347.db2.gz	UTQCNNGVFXOXKJ-LAUBAEHRSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](C)O	ZINC000105001899	557470350	/nfs/dbraw/zinc/47/03/50/557470350.db2.gz	UTQCNNGVFXOXKJ-LAUBAEHRSA-N	1	1	430.570	3.130	50	30		IGEAMO
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)C2)cc1	ZINC000025081345	568635697	/nfs/dbraw/zinc/63/56/97/568635697.db2.gz	XHZPNCXAAQQZOG-RUZDIDTESA-N	1	1	444.579	3.453	50	30		IGEAMO
Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)C2)cc1	ZINC000025081345	568635701	/nfs/dbraw/zinc/63/57/01/568635701.db2.gz	XHZPNCXAAQQZOG-RUZDIDTESA-N	1	1	444.579	3.453	50	30		IGEAMO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)Cc1cccc(OC)c1)C2	ZINC000014536767	568826362	/nfs/dbraw/zinc/82/63/62/568826362.db2.gz	OAPYNCHIOZHRIK-LJQANCHMSA-N	1	1	440.613	3.256	50	30		IGEAMO
COc1ccc(C[N@H+]2CCN(Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)c(C)c1C	ZINC000019740296	568855015	/nfs/dbraw/zinc/85/50/15/568855015.db2.gz	TXOFRDZCQLXWFW-SANMLTNESA-N	1	1	436.596	3.115	50	30		IGEAMO
COc1ccc(CN2CC[N@H+](Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)c(C)c1C	ZINC000019740296	568855017	/nfs/dbraw/zinc/85/50/17/568855017.db2.gz	TXOFRDZCQLXWFW-SANMLTNESA-N	1	1	436.596	3.115	50	30		IGEAMO
COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)c(C)c1C	ZINC000019740296	568855019	/nfs/dbraw/zinc/85/50/19/568855019.db2.gz	TXOFRDZCQLXWFW-SANMLTNESA-N	1	1	436.596	3.115	50	30		IGEAMO
CC(=O)N(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1	ZINC000170616784	569146733	/nfs/dbraw/zinc/14/67/33/569146733.db2.gz	CMEBCGWOIRFTQC-OAQYLSRUSA-N	1	1	429.561	3.372	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@@H](c1cn(Cc4ccccc4)c4ccccc14)[N@H+](C)C[C@@]3(C)OC2=O	ZINC000252629937	569203907	/nfs/dbraw/zinc/20/39/07/569203907.db2.gz	UQNWCSVKAOWFCG-XDWXJERXSA-N	1	1	446.503	3.063	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@@H](c1cn(Cc4ccccc4)c4ccccc14)[N@@H+](C)C[C@@]3(C)OC2=O	ZINC000252629937	569203909	/nfs/dbraw/zinc/20/39/09/569203909.db2.gz	UQNWCSVKAOWFCG-XDWXJERXSA-N	1	1	446.503	3.063	50	30		IGEAMO
COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C1)CC2	ZINC000019835828	568855407	/nfs/dbraw/zinc/85/54/07/568855407.db2.gz	WULGEOYJGDRREZ-VWLOTQADSA-N	1	1	434.580	3.460	50	30		IGEAMO
COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCCN(Cc3ccc(C#CCCO)cc3)C1)CC2	ZINC000019835828	568855408	/nfs/dbraw/zinc/85/54/08/568855408.db2.gz	WULGEOYJGDRREZ-VWLOTQADSA-N	1	1	434.580	3.460	50	30		IGEAMO
COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(Cc3ccc(C#CCCO)cc3)C1)CC2	ZINC000019835828	568855409	/nfs/dbraw/zinc/85/54/09/568855409.db2.gz	WULGEOYJGDRREZ-VWLOTQADSA-N	1	1	434.580	3.460	50	30		IGEAMO
C[C@@H]([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)c1ccccc1F	ZINC000013031434	525412596	/nfs/dbraw/zinc/41/25/96/525412596.db2.gz	OURQUDZIHNSBPP-MRXNPFEDSA-N	1	1	446.548	3.366	50	30		IGEAMO
COc1ccc(C(=O)/C=C\c2cn(C[C@H](O)C[NH+]3CCN(C)CC3)c3ccccc23)cc1	ZINC000033531210	557408256	/nfs/dbraw/zinc/40/82/56/557408256.db2.gz	YAZNRJMYUBQGGZ-REBWPMHBSA-N	1	1	433.552	3.154	50	30		IGEAMO
C=CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104985377	568623408	/nfs/dbraw/zinc/62/34/08/568623408.db2.gz	KGRFGQQSWBALAH-FYYLOGMGSA-N	1	1	428.504	3.393	50	30		IGEAMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCC[N@H+]12	ZINC000248158006	568919015	/nfs/dbraw/zinc/91/90/15/568919015.db2.gz	JNHADTJUPUDAGI-QILISPFLSA-N	1	1	427.504	3.088	50	30		IGEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1	ZINC000036157050	518312623	/nfs/dbraw/zinc/31/26/23/518312623.db2.gz	UNUAELQPLRTMQV-QGZVFWFLSA-N	1	1	429.586	3.009	50	30		IGEAMO
O=C1C(=Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000003932773	555951558	/nfs/dbraw/zinc/95/15/58/555951558.db2.gz	WXOUFNFMPVMGFZ-BDQAUFNLSA-N	1	1	429.516	3.219	50	30	in-vitro	IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1	ZINC000104985305	568623494	/nfs/dbraw/zinc/62/34/94/568623494.db2.gz	QMWDHTUKPBFFIW-VQTJNVASSA-N	1	1	430.907	3.485	50	30		IGEAMO
COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C1)CC2	ZINC000019835826	568855297	/nfs/dbraw/zinc/85/52/97/568855297.db2.gz	WULGEOYJGDRREZ-RUZDIDTESA-N	1	1	434.580	3.460	50	30		IGEAMO
COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCCN(Cc3ccc(C#CCCO)cc3)C1)CC2	ZINC000019835826	568855299	/nfs/dbraw/zinc/85/52/99/568855299.db2.gz	WULGEOYJGDRREZ-RUZDIDTESA-N	1	1	434.580	3.460	50	30		IGEAMO
COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(Cc3ccc(C#CCCO)cc3)C1)CC2	ZINC000019835826	568855301	/nfs/dbraw/zinc/85/53/01/568855301.db2.gz	WULGEOYJGDRREZ-RUZDIDTESA-N	1	1	434.580	3.460	50	30		IGEAMO
COc1ccc(CN2CC[N@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)c(F)c1	ZINC000023145230	568859431	/nfs/dbraw/zinc/85/94/31/568859431.db2.gz	JZBOLQMPDIATHD-IBGZPJMESA-N	1	1	446.588	3.087	50	30		IGEAMO
COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)c(F)c1	ZINC000023145230	568859432	/nfs/dbraw/zinc/85/94/32/568859432.db2.gz	JZBOLQMPDIATHD-IBGZPJMESA-N	1	1	446.588	3.087	50	30		IGEAMO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1cccnc1	ZINC000020310246	569360049	/nfs/dbraw/zinc/36/00/49/569360049.db2.gz	MHJIRLPJAAOSFX-NRFANRHFSA-N	1	1	439.512	3.106	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H]1CCCO1	ZINC000245328332	569503843	/nfs/dbraw/zinc/50/38/43/569503843.db2.gz	NFBPLVVTNWPSNV-FGZHOGPDSA-N	1	1	441.572	3.180	50	30		IGEAMO
COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C#CCCO)cc3)[N@H+]3CCC[C@@]23C1=O	ZINC000012303742	524454340	/nfs/dbraw/zinc/45/43/40/524454340.db2.gz	QEZKFYADGKOEFE-DPZBCOQUSA-N	1	1	430.548	3.367	50	30		IGEAMO
COc1ccccc1N1CC[NH+](C[C@H]2C(=O)O[C@@H]3C4=C(C)C(=O)C=C[C@]4(C)CC[C@@H]23)CC1	ZINC000059408813	524558151	/nfs/dbraw/zinc/55/81/51/524558151.db2.gz	ZPFCKLJVWGPBDI-KQFQIQHFSA-N	1	1	436.552	3.231	50	30		IGEAMO
COc1ccc(C(=O)/C=C\c2cn(C[C@@H](O)C[NH+]3CCN(C)CC3)c3ccccc23)cc1	ZINC000033531209	557408241	/nfs/dbraw/zinc/40/82/41/557408241.db2.gz	YAZNRJMYUBQGGZ-RYGYDFEPSA-N	1	1	433.552	3.154	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1	ZINC000036249962	518308024	/nfs/dbraw/zinc/30/80/24/518308024.db2.gz	UETDGXIPPHOSHK-HXUWFJFHSA-N	1	1	429.586	3.118	50	30		IGEAMO
CCCCCCCCCCCCn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000100666115	520015430	/nfs/dbraw/zinc/01/54/30/520015430.db2.gz	ZTKUYZASIFQCJB-UHFFFAOYSA-N	1	1	432.613	3.096	50	30		IGEAMO
COc1ccc(C(=[NH2+])NOC(=O)COc2cc(C)c(Br)c(C)c2)cc1OC	ZINC000016192883	556588701	/nfs/dbraw/zinc/58/87/01/556588701.db2.gz	PEQIVYYKENPQOF-UHFFFAOYSA-N	1	1	437.290	3.326	50	30		IGEAMO
COc1cc(/C=N/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc(OC)c1OC(C)=O	ZINC000019800703	556917762	/nfs/dbraw/zinc/91/77/62/556917762.db2.gz	WQXTXVXCHLDQLK-MFKUBSTISA-N	1	1	425.529	3.398	50	30		IGEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2F)c(O)c1	ZINC000020309742	557007207	/nfs/dbraw/zinc/00/72/07/557007207.db2.gz	AEEBTKMVFJGEMW-HXUWFJFHSA-N	1	1	428.460	3.070	50	30		IGEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CNC(=O)c4ccc(COC)o4)n3CC2)CC1	ZINC000011910868	568820902	/nfs/dbraw/zinc/82/09/02/568820902.db2.gz	NQOZZBIOWSKANV-LJQANCHMSA-N	1	1	439.560	3.108	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C	ZINC000036249931	518302811	/nfs/dbraw/zinc/30/28/11/518302811.db2.gz	MWHKJGRUIIPKPE-NRFANRHFSA-N	1	1	443.613	3.364	50	30		IGEAMO
C=C(C)COc1ccc2nc(C)n(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c(=O)c2c1	ZINC000020738124	518617094	/nfs/dbraw/zinc/61/70/94/518617094.db2.gz	GKGHYCPCJKAXJX-UHFFFAOYSA-N	1	1	432.524	3.037	50	30		IGEAMO
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)N4CC[NH+](CC)CC4)c3)c(=O)c2c1	ZINC000020725103	518617413	/nfs/dbraw/zinc/61/74/13/518617413.db2.gz	TXHPDHVPXWQENQ-UHFFFAOYSA-N	1	1	446.551	3.427	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](C)O	ZINC000036308964	518750246	/nfs/dbraw/zinc/75/02/46/518750246.db2.gz	UTQCNNGVFXOXKJ-UWJYYQICSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](C)O	ZINC000036308964	518750254	/nfs/dbraw/zinc/75/02/54/518750254.db2.gz	UTQCNNGVFXOXKJ-UWJYYQICSA-N	1	1	430.570	3.130	50	30		IGEAMO
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCO2	ZINC000082059017	521369487	/nfs/dbraw/zinc/36/94/87/521369487.db2.gz	WKMOITBATSCTEV-AWEZNQCLSA-N	1	1	431.489	3.169	50	30		IGEAMO
C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1ccccc1F	ZINC000013031443	525307724	/nfs/dbraw/zinc/30/77/24/525307724.db2.gz	PKTVXPSZRKJGMV-INIZCTEOSA-N	1	1	446.548	3.366	50	30		IGEAMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1	ZINC000032885686	556510137	/nfs/dbraw/zinc/51/01/37/556510137.db2.gz	SKABEVFUWAKKQZ-ZIAGYGMSSA-N	1	1	427.574	3.369	50	30		IGEAMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1	ZINC000032885688	556510221	/nfs/dbraw/zinc/51/02/21/556510221.db2.gz	SKABEVFUWAKKQZ-KBPBESRZSA-N	1	1	427.574	3.369	50	30		IGEAMO
C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000170597296	569142055	/nfs/dbraw/zinc/14/20/55/569142055.db2.gz	MWWWFEJFGHWCNM-IBGZPJMESA-N	1	1	428.540	3.483	50	30		IGEAMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(NC(=O)Cc3ccc(O)cc3)CC2)cc1	ZINC000078969266	569321016	/nfs/dbraw/zinc/32/10/16/569321016.db2.gz	ONCSSGYWPMUMLC-FQEVSTJZSA-N	1	1	448.567	3.159	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@H]1c1ccccc1F	ZINC000020310116	569359960	/nfs/dbraw/zinc/35/99/60/569359960.db2.gz	ORMSREJYUWICBH-OAQYLSRUSA-N	1	1	442.487	3.460	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(Cl)c1	ZINC000009045617	569498086	/nfs/dbraw/zinc/49/80/86/569498086.db2.gz	LLULIXBPRNVJHJ-HXUWFJFHSA-N	1	1	438.915	3.436	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(Cl)c1	ZINC000009045617	569498087	/nfs/dbraw/zinc/49/80/87/569498087.db2.gz	LLULIXBPRNVJHJ-HXUWFJFHSA-N	1	1	438.915	3.436	50	30		IGEAMO
C=CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1	ZINC000036340750	123251350	/nfs/dbraw/zinc/25/13/50/123251350.db2.gz	ZZEWKRCHIIDNHG-NRFANRHFSA-N	1	1	445.007	3.277	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1	ZINC000036313029	518307817	/nfs/dbraw/zinc/30/78/17/518307817.db2.gz	WZULRBCIXDOZRJ-JOCHJYFZSA-N	1	1	441.572	3.181	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@@H](C)O	ZINC000036310088	518750814	/nfs/dbraw/zinc/75/08/14/518750814.db2.gz	YIDWWZTVVZUGKK-UTKZUKDTSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@@H](C)O	ZINC000036310088	518750821	/nfs/dbraw/zinc/75/08/21/518750821.db2.gz	YIDWWZTVVZUGKK-UTKZUKDTSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@H](C)O	ZINC000036310086	518751064	/nfs/dbraw/zinc/75/10/64/518751064.db2.gz	YIDWWZTVVZUGKK-UWJYYQICSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@H](C)O	ZINC000036310086	518751069	/nfs/dbraw/zinc/75/10/69/518751069.db2.gz	YIDWWZTVVZUGKK-UWJYYQICSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CCc1cc(C[N@H+]2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(O)c(OC)c1	ZINC000012796095	519130146	/nfs/dbraw/zinc/13/01/46/519130146.db2.gz	DCHMHXNSKFHXMS-UHFFFAOYSA-N	1	1	430.570	3.334	50	30		IGEAMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000328593875	520412352	/nfs/dbraw/zinc/41/23/52/520412352.db2.gz	UCMSQNZJHHBZDA-OAHLLOKOSA-N	1	1	431.549	3.442	50	30		IGEAMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1	ZINC000032885687	556510067	/nfs/dbraw/zinc/51/00/67/556510067.db2.gz	SKABEVFUWAKKQZ-OKILXGFUSA-N	1	1	427.574	3.369	50	30		IGEAMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1	ZINC000032885687	556510073	/nfs/dbraw/zinc/51/00/73/556510073.db2.gz	SKABEVFUWAKKQZ-OKILXGFUSA-N	1	1	427.574	3.369	50	30		IGEAMO
COc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)C[NH+]3CCN(C)CC3)c3ccccc23)cc1	ZINC000019901302	556941998	/nfs/dbraw/zinc/94/19/98/556941998.db2.gz	YAZNRJMYUBQGGZ-FQTAANOTSA-N	1	1	433.552	3.154	50	30		IGEAMO
C=C(C)C[NH+]1CCN(c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2[N+](=O)[O-])CC1	ZINC000101385134	557281921	/nfs/dbraw/zinc/28/19/21/557281921.db2.gz	NYOXDSCOBHSMEA-BHIYHBOVSA-N	1	1	426.517	3.219	50	30		IGEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104985353	568623383	/nfs/dbraw/zinc/62/33/83/568623383.db2.gz	FZDBPQHYLMJSSP-NHCUHLMSSA-N	1	1	430.907	3.485	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1	ZINC000104985353	568623386	/nfs/dbraw/zinc/62/33/86/568623386.db2.gz	FZDBPQHYLMJSSP-NHCUHLMSSA-N	1	1	430.907	3.485	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104985074	568623670	/nfs/dbraw/zinc/62/36/70/568623670.db2.gz	KUWPMXAOQKEIJM-FGZHOGPDSA-N	1	1	430.907	3.485	50	30		IGEAMO
[NH2+]=C(NOC(=O)COc1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000008768000	569474929	/nfs/dbraw/zinc/47/49/29/569474929.db2.gz	OBXXMPQSCUEGJK-UHFFFAOYSA-N	1	1	428.080	3.454	50	30		IGEAMO
CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)C1	ZINC000040149641	569492596	/nfs/dbraw/zinc/49/25/96/569492596.db2.gz	CGGVPONFUGTVFS-SFTDATJTSA-N	1	1	426.561	3.286	50	30		IGEAMO
COc1cc2c(cc1OC)CN(/C=[NH+]/c1nc3ccccc3nc1N1CCOCC1)CC2	ZINC000009353104	569524907	/nfs/dbraw/zinc/52/49/07/569524907.db2.gz	WMPZTEXSXHHZGE-PCLIKHOPSA-N	1	1	433.512	3.202	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000036146717	518306100	/nfs/dbraw/zinc/30/61/00/518306100.db2.gz	OFQZXAZXDWSKJE-JTHBVZDNSA-N	1	1	442.943	3.355	50	30		IGEAMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[NH+](Cc3cccs3)CC2)c1C#N	ZINC000022791743	525686272	/nfs/dbraw/zinc/68/62/72/525686272.db2.gz	JSLFNJAGUDBIPX-UHFFFAOYSA-N	1	1	437.569	3.436	50	30		IGEAMO
C=CC[NH+]1CCN(c2nc3cc(C(=O)OC)ccc3c(=O)n2-c2ccc(Cl)cc2)CC1	ZINC000033300513	557082203	/nfs/dbraw/zinc/08/22/03/557082203.db2.gz	WUSBNRDURCTJOT-UHFFFAOYSA-N	1	1	438.915	3.134	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@H](C)O	ZINC000105003907	557471187	/nfs/dbraw/zinc/47/11/87/557471187.db2.gz	YIDWWZTVVZUGKK-LAUBAEHRSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@H](C)O	ZINC000105003907	557471188	/nfs/dbraw/zinc/47/11/88/557471188.db2.gz	YIDWWZTVVZUGKK-LAUBAEHRSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@H+](C)Cc1csc(C)n1)C2	ZINC000014743715	568826933	/nfs/dbraw/zinc/82/69/33/568826933.db2.gz	DMFXYAUNHIPYSV-QGZVFWFLSA-N	1	1	431.631	3.012	50	30		IGEAMO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@@H+](C)Cc1csc(C)n1)C2	ZINC000014743715	568826934	/nfs/dbraw/zinc/82/69/34/568826934.db2.gz	DMFXYAUNHIPYSV-QGZVFWFLSA-N	1	1	431.631	3.012	50	30		IGEAMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCCSCc1ccccc1C#N	ZINC000028724777	569418832	/nfs/dbraw/zinc/41/88/32/569418832.db2.gz	BDCGNBFFLXOICS-GOSISDBHSA-N	1	1	434.569	3.181	50	30		IGEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C	ZINC000036249932	518310176	/nfs/dbraw/zinc/31/01/76/518310176.db2.gz	MWHKJGRUIIPKPE-OAQYLSRUSA-N	1	1	443.613	3.364	50	30		IGEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N1CCSCC1)C1CC1	ZINC000036249950	518985771	/nfs/dbraw/zinc/98/57/71/518985771.db2.gz	NIJUZTYXLXHPAZ-FQEVSTJZSA-N	1	1	429.586	3.423	50	30		IGEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1	ZINC000036146877	518989077	/nfs/dbraw/zinc/98/90/77/518989077.db2.gz	KGRFGQQSWBALAH-GMAHTHKFSA-N	1	1	428.504	3.393	50	30		IGEAMO
CCc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)n2c3ccccc3nc2c1C#N	ZINC000072292436	556501155	/nfs/dbraw/zinc/50/11/55/556501155.db2.gz	UBBMMDQZYXYQHJ-UHFFFAOYSA-N	1	1	426.528	3.104	50	30		IGEAMO
C=CCc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)c(OC)c1	ZINC000032915642	556613039	/nfs/dbraw/zinc/61/30/39/556613039.db2.gz	YBANMAMMLSWHBZ-UHFFFAOYSA-N	1	1	437.584	3.256	50	30		IGEAMO
C=CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](C)O	ZINC000169678074	568990604	/nfs/dbraw/zinc/99/06/04/568990604.db2.gz	QSJAYEPDGWRSRI-IEBWSBKVSA-N	1	1	430.570	3.130	50	30		IGEAMO
C=CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](C)O	ZINC000169678074	568990605	/nfs/dbraw/zinc/99/06/05/568990605.db2.gz	QSJAYEPDGWRSRI-IEBWSBKVSA-N	1	1	430.570	3.130	50	30		IGEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(F)cc2)c(O)c1	ZINC000020309702	569359765	/nfs/dbraw/zinc/35/97/65/569359765.db2.gz	OFWFQBGUTVTLLK-FQEVSTJZSA-N	1	1	428.460	3.070	50	30		IGEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(F)c2)c(O)c1	ZINC000020309755	569359786	/nfs/dbraw/zinc/35/97/86/569359786.db2.gz	JBUPLMLKROEQCH-HXUWFJFHSA-N	1	1	428.460	3.070	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1cccs1	ZINC000020310189	569360053	/nfs/dbraw/zinc/36/00/53/569360053.db2.gz	LQNZGFSFKSGTPK-IBGZPJMESA-N	1	1	430.526	3.382	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1	ZINC000036301535	518300871	/nfs/dbraw/zinc/30/08/71/518300871.db2.gz	HZELMTHZEGRKSS-QFIPXVFZSA-N	1	1	449.551	3.339	50	30		IGEAMO
C=C(C)COc1ccc2nc(C)n(-c3cccc(C(=O)N4CC[NH+](C)CC4)c3)c(=O)c2c1	ZINC000020718111	518617601	/nfs/dbraw/zinc/61/76/01/518617601.db2.gz	NJTOZSQWBDTNQS-UHFFFAOYSA-N	1	1	432.524	3.037	50	30		IGEAMO
C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1ccccc1F	ZINC000013031440	525412390	/nfs/dbraw/zinc/41/23/90/525412390.db2.gz	PKTVXPSZRKJGMV-MRXNPFEDSA-N	1	1	446.548	3.366	50	30		IGEAMO
N#Cc1ccccc1CSCCNC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1	ZINC000024856484	557168918	/nfs/dbraw/zinc/16/89/18/557168918.db2.gz	ATZKPFRMRZHESW-UHFFFAOYSA-N	1	1	436.581	3.258	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(Cl)c1	ZINC000009045612	569498058	/nfs/dbraw/zinc/49/80/58/569498058.db2.gz	LLULIXBPRNVJHJ-FQEVSTJZSA-N	1	1	438.915	3.436	50	30		IGEAMO
Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(Cl)c1	ZINC000009045612	569498059	/nfs/dbraw/zinc/49/80/59/569498059.db2.gz	LLULIXBPRNVJHJ-FQEVSTJZSA-N	1	1	438.915	3.436	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H]1CCCO1	ZINC000036245897	518302260	/nfs/dbraw/zinc/30/22/60/518302260.db2.gz	NFBPLVVTNWPSNV-FCHUYYIVSA-N	1	1	441.572	3.180	50	30		IGEAMO
Cc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH2+]CCO)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000025180093	557529101	/nfs/dbraw/zinc/52/91/01/557529101.db2.gz	HEZBOSWZGWWDMH-QFIPXVFZSA-N	1	1	436.552	3.453	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@H](c1cn(Cc4ccccc4)c4ccccc14)[N@H+](C)C[C@]3(C)OC2=O	ZINC000252629935	569203864	/nfs/dbraw/zinc/20/38/64/569203864.db2.gz	UQNWCSVKAOWFCG-CBRSEMLDSA-N	1	1	446.503	3.063	50	30		IGEAMO
COC(=O)[C@]12O[C@]13C[C@H](c1cn(Cc4ccccc4)c4ccccc14)[N@@H+](C)C[C@]3(C)OC2=O	ZINC000252629935	569203866	/nfs/dbraw/zinc/20/38/66/569203866.db2.gz	UQNWCSVKAOWFCG-CBRSEMLDSA-N	1	1	446.503	3.063	50	30		IGEAMO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2O)[C@@H]1c1cccc(F)c1	ZINC000020310164	569360119	/nfs/dbraw/zinc/36/01/19/569360119.db2.gz	VRVJVRVIFPOKAO-NRFANRHFSA-N	1	1	442.487	3.460	50	30		IGEAMO
Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(F)cc1	ZINC000009042039	569497725	/nfs/dbraw/zinc/49/77/25/569497725.db2.gz	MAMKWZAUMUCZPL-HXUWFJFHSA-N	1	1	436.487	3.230	50	30		IGEAMO
Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc(F)cc1	ZINC000009042039	569497726	/nfs/dbraw/zinc/49/77/26/569497726.db2.gz	MAMKWZAUMUCZPL-HXUWFJFHSA-N	1	1	436.487	3.230	50	30		IGEAMO
C#CCOC[C@H](O)C[N@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1	ZINC000036301539	518307222	/nfs/dbraw/zinc/30/72/22/518307222.db2.gz	HZELMTHZEGRKSS-JOCHJYFZSA-N	1	1	449.551	3.339	50	30		IGEAMO
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN2CC[NH2+]CC2)cc1	ZINC000019923414	556944344	/nfs/dbraw/zinc/94/43/44/556944344.db2.gz	IOIVYBRZBAWISO-QHCPKHFHSA-N	1	1	433.552	3.294	50	30		IGEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1	ZINC000104983260	568623856	/nfs/dbraw/zinc/62/38/56/568623856.db2.gz	MOXUAYSXJSMMAN-LEWJYISDSA-N	1	1	442.487	3.113	50	30		IGEAMO
C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000014944801	568827868	/nfs/dbraw/zinc/82/78/68/568827868.db2.gz	GJGMEQXVOWSZFX-UKDJSQQHSA-N	1	1	447.922	3.352	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1	ZINC000023375172	568859656	/nfs/dbraw/zinc/85/96/56/568859656.db2.gz	SJHNIRKJBAOVQH-QHCPKHFHSA-N	1	1	443.632	3.169	50	30		IGEAMO
C=CCC1(CC=C)CCC[N@@H+]1Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1	ZINC000023375172	568859657	/nfs/dbraw/zinc/85/96/57/568859657.db2.gz	SJHNIRKJBAOVQH-QHCPKHFHSA-N	1	1	443.632	3.169	50	30		IGEAMO
C#CCOC[C@@H](O)C[N@H+](CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1	ZINC000036249961	518298628	/nfs/dbraw/zinc/29/86/28/518298628.db2.gz	UETDGXIPPHOSHK-FQEVSTJZSA-N	1	1	429.586	3.118	50	30		IGEAMO
CCN(CCC#N)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c(C)c1	ZINC000012741251	520980238	/nfs/dbraw/zinc/98/02/38/520980238.db2.gz	RRYMMAHSDBXUKQ-JOCHJYFZSA-N	1	1	445.527	3.342	50	30		IGEAMO
COc1ccc(CN2CC[N@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2CCO)c(F)c1	ZINC000039532656	524033381	/nfs/dbraw/zinc/03/33/81/524033381.db2.gz	OMKPMLSXWQPQRU-HSZRJFAPSA-N	1	1	440.559	3.026	50	30		IGEAMO
COc1ccc(CN2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2CCO)c(F)c1	ZINC000039532656	524033383	/nfs/dbraw/zinc/03/33/83/524033383.db2.gz	OMKPMLSXWQPQRU-HSZRJFAPSA-N	1	1	440.559	3.026	50	30		IGEAMO
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)cc1	ZINC000102797468	557388817	/nfs/dbraw/zinc/38/88/17/557388817.db2.gz	MSHWJKYIGYCOEE-HOGKFDNTSA-N	1	1	447.491	3.412	50	30		IGEAMO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(F)c2)c(O)c1	ZINC000020309757	569359749	/nfs/dbraw/zinc/35/97/49/569359749.db2.gz	JBUPLMLKROEQCH-FQEVSTJZSA-N	1	1	428.460	3.070	50	30		IGEAMO