smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2n[nH]cc2C[NH+]2CCC([C@H](C)[NH+]3CCOCC3)CC2)cc(OC)c1OC	ZINC000012447453	521900455	/nfs/dbraw/zinc/90/04/55/521900455.db2.gz	GACIKYIPLDDIFT-KRWDZBQOSA-N	2	0	444.576	3.035	50	0		IGAARP
COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000020999753	522382158	/nfs/dbraw/zinc/38/21/58/522382158.db2.gz	PNVPCTQCYRYXNO-XMMPIXPASA-N	2	0	445.648	3.229	50	0		IGAARP
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC[C@H](CO)C1	ZINC000012576955	526303882	/nfs/dbraw/zinc/30/38/82/526303882.db2.gz	MFXJMOOGECMHCT-QHCPKHFHSA-N	2	0	427.633	3.027	50	0		IGAARP
Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)C1CC1	ZINC000012593896	527627285	/nfs/dbraw/zinc/62/72/85/527627285.db2.gz	HVYHOCJGOTWXTH-QHCPKHFHSA-N	2	0	426.605	3.427	50	0		IGAARP
Cc1cccc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)n1	ZINC000011821733	556362866	/nfs/dbraw/zinc/36/28/66/556362866.db2.gz	ALZIFGFMUAPVIT-UHFFFAOYSA-N	2	0	430.980	3.378	50	0		IGAARP
CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1	ZINC000012076495	556397834	/nfs/dbraw/zinc/39/78/34/556397834.db2.gz	NYMQFHJEBGCGAI-OAQYLSRUSA-N	3	0	432.628	3.160	50	0		IGAARP
COc1ccc(CNCC(C)(C)C[NH+](C)C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000055198045	556737380	/nfs/dbraw/zinc/73/73/80/556737380.db2.gz	NAMQDUFKHMWSEQ-HSZRJFAPSA-N	2	0	443.632	3.244	50	0		IGAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@H+](C)Cc3ccc(C)cc3)cc2OC)CC1	ZINC000019606684	556831362	/nfs/dbraw/zinc/83/13/62/556831362.db2.gz	JKMCBIGVANZNDQ-XMMPIXPASA-N	2	0	441.616	3.013	50	0		IGAARP
CC[NH+](CC)CCN(CC[NH+](CC)CC)c1cc(-c2ccc(OC)cc2)nc2ncnn21	ZINC000023334947	557349701	/nfs/dbraw/zinc/34/97/01/557349701.db2.gz	RRHFXEHPFKHMBE-UHFFFAOYSA-N	2	0	439.608	3.290	50	0		IGAARP
C[C@H](CCn1cccn1)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	ZINC000012202143	524265352	/nfs/dbraw/zinc/26/53/52/524265352.db2.gz	NPANEJSZEWJDFZ-GOSISDBHSA-N	2	0	448.011	3.150	50	0		IGAARP
CCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N(C)CCc3ccc(OC)c(OC)c3)C2)CC1	ZINC000004177215	555973814	/nfs/dbraw/zinc/97/38/14/555973814.db2.gz	MLILDHGKOQQMFA-NRFANRHFSA-N	2	0	431.621	3.291	50	0		IGAARP
COc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3OC)C2)o1	ZINC000014957728	556462790	/nfs/dbraw/zinc/46/27/90/556462790.db2.gz	QZNDLOALTZPYNT-IBGZPJMESA-N	2	0	429.561	3.213	50	0		IGAARP
CO[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)C1	ZINC000014969466	556466328	/nfs/dbraw/zinc/46/63/28/556466328.db2.gz	YSCRNEIXIRBGOJ-RUZDIDTESA-N	2	0	427.633	3.433	50	0		IGAARP
Cc1cc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(-n2cccn2)c1	ZINC000039438332	556628726	/nfs/dbraw/zinc/62/87/26/556628726.db2.gz	JSLUZIRDBYYKIH-XMMPIXPASA-N	2	0	439.648	3.231	50	0		IGAARP
COc1ccc(C[N@H+](C)CCn2ccnc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011936340	556675805	/nfs/dbraw/zinc/67/58/05/556675805.db2.gz	GCQFQRDQDSXDCB-QHCPKHFHSA-N	3	0	444.620	3.338	50	0		IGAARP
COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCC[C@H](C)[NH+]3CCCC3)CC1)cn2C	ZINC000064669694	568943533	/nfs/dbraw/zinc/94/35/33/568943533.db2.gz	GENIKUQFSORADQ-IBGZPJMESA-N	2	0	426.605	3.390	50	0		IGAARP
O=C(NCCC[NH+]1CCCC1)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000089779539	569162729	/nfs/dbraw/zinc/16/27/29/569162729.db2.gz	PCTOTDJDZIOZSC-UHFFFAOYSA-N	2	0	441.542	3.003	50	0		IGAARP
COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000015069461	522445466	/nfs/dbraw/zinc/44/54/66/522445466.db2.gz	NDTCMLDDPWTWNV-QFIPXVFZSA-N	2	0	434.621	3.486	50	0		IGAARP
COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012210747	522453968	/nfs/dbraw/zinc/45/39/68/522453968.db2.gz	SELQANUPFKIUBI-JOCHJYFZSA-N	2	0	430.614	3.124	50	0		IGAARP
COc1ccc(C[N@H+](C)CCOc2ccc(C)cc2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	ZINC000012701468	524004223	/nfs/dbraw/zinc/00/42/23/524004223.db2.gz	QNDSKVCCCAUVGL-QFIPXVFZSA-N	2	0	428.573	3.350	50	0		IGAARP
Cc1cc(C)n(-c2cccc(C[N@H+]3CCN(C4CC[NH+](C(C)C)CC4)[C@H](CCO)C3)c2)n1	ZINC000022853434	524491089	/nfs/dbraw/zinc/49/10/89/524491089.db2.gz	XHQMJQJPYIPLCZ-AREMUKBSSA-N	2	0	439.648	3.231	50	0		IGAARP
COc1cc(C[NH2+]Cc2[nH]nc3c2CCC3)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011661266	556343088	/nfs/dbraw/zinc/34/30/88/556343088.db2.gz	QVJMEMMABQSTQX-HXUWFJFHSA-N	2	0	442.604	3.203	50	0		IGAARP
COc1cc2c(cc1OC)CN(Cc1coc(=O)c(C[NH+]3CCCCCC3)c1[O-])CC2	ZINC000100796308	556675006	/nfs/dbraw/zinc/67/50/06/556675006.db2.gz	SNURUUXEFPZVQT-UHFFFAOYSA-N	2	0	428.529	3.297	50	0		IGAARP
O=S(=O)(NCC[N@@H+]1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1	ZINC000062581825	556685143	/nfs/dbraw/zinc/68/51/43/556685143.db2.gz	RWLOYTFXSWNKGM-DEOSSOPVSA-N	2	0	427.614	3.342	50	0		IGAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1	ZINC000014975715	557294380	/nfs/dbraw/zinc/29/43/80/557294380.db2.gz	BGLNCHCOIDMHPL-RUZDIDTESA-N	2	0	426.649	3.272	50	0		IGAARP
COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012303040	522449632	/nfs/dbraw/zinc/44/96/32/522449632.db2.gz	SFFAQBGKDHLWDP-QFIPXVFZSA-N	2	0	430.593	3.077	50	0		IGAARP
COCC[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C(C)C	ZINC000012305452	523737129	/nfs/dbraw/zinc/73/71/29/523737129.db2.gz	NFMLWQUOSSQVMT-UHFFFAOYSA-N	2	0	441.620	3.282	50	0		IGAARP
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC[C@@H](CO)C1	ZINC000012576948	526302661	/nfs/dbraw/zinc/30/26/61/526302661.db2.gz	MFXJMOOGECMHCT-HSZRJFAPSA-N	2	0	427.633	3.027	50	0		IGAARP
O=C(C[NH+]1CCCCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012386233	526737195	/nfs/dbraw/zinc/73/71/95/526737195.db2.gz	MBDMKZBWKYZFQE-SANMLTNESA-N	2	0	439.644	3.359	50	0		IGAARP
COc1cc(C[NH2+]Cc2[nH]nc3c2CCC3)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011661267	556343118	/nfs/dbraw/zinc/34/31/18/556343118.db2.gz	QVJMEMMABQSTQX-FQEVSTJZSA-N	2	0	442.604	3.203	50	0		IGAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3cccc(SC)c3)c2)CC1	ZINC000019222184	556716140	/nfs/dbraw/zinc/71/61/40/556716140.db2.gz	XGFYAHZWPSXZLV-JOCHJYFZSA-N	2	0	429.630	3.076	50	0		IGAARP
CCC[NH+]1CCC(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1	ZINC000055154368	556736253	/nfs/dbraw/zinc/73/62/53/556736253.db2.gz	UTLYRVOJJWTXLN-XMMPIXPASA-N	2	0	430.612	3.451	50	0		IGAARP
CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c(C)c32)CC1	ZINC000033048367	556744747	/nfs/dbraw/zinc/74/47/47/556744747.db2.gz	ZKVZPKFXDWXKQO-QGZVFWFLSA-N	2	0	444.649	3.136	50	0		IGAARP
CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c(C)c32)CC1	ZINC000033048366	557323091	/nfs/dbraw/zinc/32/30/91/557323091.db2.gz	ZKVZPKFXDWXKQO-KRWDZBQOSA-N	2	0	444.649	3.136	50	0		IGAARP
O[C@H](COc1ccc(-c2ccc(OC[C@@H](O)C[NH+]3CCCC3)cc2)cc1)C[NH+]1CCCC1	ZINC000013425554	568828091	/nfs/dbraw/zinc/82/80/91/568828091.db2.gz	VZXZHBUESVWXPP-ZEQRLZLVSA-N	2	0	440.584	3.025	50	0		IGAARP
COc1cc(C[N@H+](C)CCc2cnn(C)c2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1	ZINC000012593810	522352692	/nfs/dbraw/zinc/35/26/92/522352692.db2.gz	NLYNMMNNXNJCBE-HSZRJFAPSA-N	2	0	444.620	3.107	50	0		IGAARP
CCc1ccc(C[NH+]2CCC(Oc3cc(C(=O)NCC[NH+](C)C)ccc3OC)CC2)o1	ZINC000012718683	523924470	/nfs/dbraw/zinc/92/44/70/523924470.db2.gz	KXZZMOSNWILXGF-UHFFFAOYSA-N	2	0	429.561	3.185	50	0		IGAARP
COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000020454734	524032344	/nfs/dbraw/zinc/03/23/44/524032344.db2.gz	FXBWUZKBAWCAAQ-QHCPKHFHSA-N	2	0	433.637	3.227	50	0		IGAARP
COc1ccc(C[NH2+]CCCc2scnc2C)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012385854	524070194	/nfs/dbraw/zinc/07/01/94/524070194.db2.gz	YPSRHHUIWPSSOB-HXUWFJFHSA-N	2	0	433.618	3.408	50	0		IGAARP
COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012708777	524070321	/nfs/dbraw/zinc/07/03/21/524070321.db2.gz	NSBBUMHSJFXOQA-DEOSSOPVSA-N	2	0	441.616	3.142	50	0		IGAARP
O[C@H](COc1ccccc1C[NH2+]Cc1cc2cc(F)ccc2[nH]1)C[NH+]1CCSCC1	ZINC000012385757	526293420	/nfs/dbraw/zinc/29/34/20/526293420.db2.gz	LMSILBOCXJVHLB-NRFANRHFSA-N	2	0	429.561	3.385	50	0		IGAARP
OCCOc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1	ZINC000012281033	527557872	/nfs/dbraw/zinc/55/78/72/527557872.db2.gz	NXNMOUBPTJCYBR-NRFANRHFSA-N	2	0	442.629	3.415	50	0		IGAARP
CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c(OC)c1	ZINC000011814535	556357864	/nfs/dbraw/zinc/35/78/64/556357864.db2.gz	BZTBPGRTYGODNF-HSZRJFAPSA-N	2	0	444.620	3.455	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)Cc2c(C)noc2C)C1	ZINC000012057336	556394903	/nfs/dbraw/zinc/39/49/03/556394903.db2.gz	BRJUXEPPGABYSP-NRFANRHFSA-N	2	0	442.604	3.145	50	0		IGAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CCc2ccccc2)C1	ZINC000014543594	556426438	/nfs/dbraw/zinc/42/64/38/556426438.db2.gz	DTLSCONAGKSLPQ-XZOQPEGZSA-N	2	0	441.591	3.453	50	0		IGAARP
COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000015073213	568635618	/nfs/dbraw/zinc/63/56/18/568635618.db2.gz	UGGJENCULARKJM-JOCHJYFZSA-N	2	0	428.598	3.042	50	0		IGAARP
O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1)C1([NH+]2CCCC2)CCCC1	ZINC000299786437	568757546	/nfs/dbraw/zinc/75/75/46/568757546.db2.gz	UFFPJXRCRBXLRX-JOCHJYFZSA-N	2	0	426.605	3.120	50	0		IGAARP
Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCC[NH+]3CCCC3)cc12	ZINC000020153806	569353586	/nfs/dbraw/zinc/35/35/86/569353586.db2.gz	BMWZHAYVIYSGSZ-UHFFFAOYSA-N	2	0	426.634	3.067	50	0		IGAARP
O=c1c(C[NH+]2CCN(c3ccccn3)CC2)cc2ccc(F)cc2n1CC[NH+]1CCCCC1	ZINC000011788529	132339864	/nfs/dbraw/zinc/33/98/64/132339864.db2.gz	GNVGTXZPZHCLSN-UHFFFAOYSA-N	2	0	449.574	3.344	50	0		IGAARP
COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000012190253	522031807	/nfs/dbraw/zinc/03/18/07/522031807.db2.gz	PSASREPBRQSTCB-YTFSRNRJSA-N	2	0	427.589	3.208	50	0		IGAARP
COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012303042	522451319	/nfs/dbraw/zinc/45/13/19/522451319.db2.gz	SFFAQBGKDHLWDP-JOCHJYFZSA-N	2	0	430.593	3.077	50	0		IGAARP
COc1ccc(C[N@H+](C)Cc2sccc2C)cc1OC[C@H](O)CN1CCC[NH+](C)CC1	ZINC000020535793	524007829	/nfs/dbraw/zinc/00/78/29/524007829.db2.gz	BCWHGBMVXSMUHI-OAQYLSRUSA-N	2	0	447.645	3.074	50	0		IGAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)CCc1cnccn1	ZINC000012474758	524053550	/nfs/dbraw/zinc/05/35/50/524053550.db2.gz	RKBVQOCJKUPYMR-UHFFFAOYSA-N	2	0	449.643	3.069	50	0		IGAARP
COc1ccc(CNCCC[NH+]2CCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012708788	524070294	/nfs/dbraw/zinc/07/02/94/524070294.db2.gz	NSBBUMHSJFXOQA-XMMPIXPASA-N	2	0	441.616	3.142	50	0		IGAARP
CO[C@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)C1	ZINC000014969470	556466545	/nfs/dbraw/zinc/46/65/45/556466545.db2.gz	YSCRNEIXIRBGOJ-VWLOTQADSA-N	2	0	427.633	3.433	50	0		IGAARP
COc1cc(CN2CC[NH+](C(C)C)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000023359732	557087355	/nfs/dbraw/zinc/08/73/55/557087355.db2.gz	DAWBVHNUWNOIIQ-HSZRJFAPSA-N	2	0	433.637	3.225	50	0		IGAARP
COc1cc(CN2CC[NH+](C(C)C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000023359728	557087433	/nfs/dbraw/zinc/08/74/33/557087433.db2.gz	DAWBVHNUWNOIIQ-QHCPKHFHSA-N	2	0	433.637	3.225	50	0		IGAARP
C[N@@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1	ZINC000299787856	568757528	/nfs/dbraw/zinc/75/75/28/568757528.db2.gz	YFJVTHOUHCCGPT-OAQYLSRUSA-N	2	0	442.007	3.292	50	0		IGAARP
O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1)C1([NH+]2CCCC2)CCCC1	ZINC000299786441	568757548	/nfs/dbraw/zinc/75/75/48/568757548.db2.gz	UFFPJXRCRBXLRX-QFIPXVFZSA-N	2	0	426.605	3.120	50	0		IGAARP
CC[NH+](CC)CCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1	ZINC000020153741	569353581	/nfs/dbraw/zinc/35/35/81/569353581.db2.gz	ZXLSKPHPGIBWGS-UHFFFAOYSA-N	2	0	428.650	3.313	50	0		IGAARP
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCN(c2cc[nH+]cc2)CC1	ZINC000033129010	569587367	/nfs/dbraw/zinc/58/73/67/569587367.db2.gz	RVWLJSANQLJSOZ-UHFFFAOYSA-N	2	0	442.007	3.280	50	0		IGAARP
CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n(C)n1	ZINC000012713085	521351113	/nfs/dbraw/zinc/35/11/13/521351113.db2.gz	NBEVOWPYFDXGSA-FQEVSTJZSA-N	2	0	443.611	3.428	50	0		IGAARP
CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[NH+](C)CC2)c1	ZINC000020449253	521371636	/nfs/dbraw/zinc/37/16/36/521371636.db2.gz	JDUYGPYWTWAFRF-DEOSSOPVSA-N	2	0	441.616	3.095	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(F)cc3)c2)CC1	ZINC000012714297	522914894	/nfs/dbraw/zinc/91/48/94/522914894.db2.gz	AJSJSYLTWHYMPH-QHCPKHFHSA-N	2	0	444.547	3.082	50	0		IGAARP
COc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000012305376	524070992	/nfs/dbraw/zinc/07/09/92/524070992.db2.gz	WYHGOGDBRQMSSY-HXUWFJFHSA-N	2	0	438.572	3.129	50	0		IGAARP
Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)CCCC[NH+]1CCOCC1	ZINC000011819507	556361518	/nfs/dbraw/zinc/36/15/18/556361518.db2.gz	DRSUYDCZNDQPNR-UHFFFAOYSA-N	2	0	441.620	3.203	50	0		IGAARP
COc1cc(C[N@H+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1	ZINC000012075364	556397589	/nfs/dbraw/zinc/39/75/89/556397589.db2.gz	BUCIZGPABLBYMQ-QFIPXVFZSA-N	2	0	430.593	3.097	50	0		IGAARP
COc1cc(C[NH2+]CCc2cscn2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000014958317	556462974	/nfs/dbraw/zinc/46/29/74/556462974.db2.gz	CRPWSSWAVMRXGO-NRFANRHFSA-N	2	0	433.618	3.488	50	0		IGAARP
COc1cc(C[NH2+]CCOc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011821107	556658496	/nfs/dbraw/zinc/65/84/96/556658496.db2.gz	XGFCAHWMMHINAT-JOCHJYFZSA-N	2	0	443.588	3.265	50	0		IGAARP
COc1cc(CNCC(C)(C)C[NH+](C)C)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000055109068	556734948	/nfs/dbraw/zinc/73/49/48/556734948.db2.gz	HARNPZNMGABZOU-QFIPXVFZSA-N	2	0	435.653	3.378	50	0		IGAARP
CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000058198084	556770843	/nfs/dbraw/zinc/77/08/43/556770843.db2.gz	URZZORBAVXRMRV-HNNXBMFYSA-N	2	0	441.947	3.395	50	0		IGAARP
O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1	ZINC000065256033	569123183	/nfs/dbraw/zinc/12/31/83/569123183.db2.gz	ZZGDMZPJGAAPRT-RUZDIDTESA-N	2	0	441.579	3.021	50	0		IGAARP
O=S1(=O)CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2cc(F)ccc21	ZINC000095462868	569370104	/nfs/dbraw/zinc/37/01/04/569370104.db2.gz	DNRIPTFNYDJTGE-QFIPXVFZSA-N	2	0	432.561	3.351	50	0		IGAARP
CC[NH+]1CCN(CC(=O)N(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1	ZINC000022851592	521673448	/nfs/dbraw/zinc/67/34/48/521673448.db2.gz	OKZVOLOOZFOGIE-DEOSSOPVSA-N	2	0	441.664	3.092	50	0		IGAARP
COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1	ZINC000012458585	522442680	/nfs/dbraw/zinc/44/26/80/522442680.db2.gz	WMFHMCORGWAOTA-OAQYLSRUSA-N	2	0	428.598	3.263	50	0		IGAARP
COc1ccc(C[N@H+](C)Cc2sccc2C)cc1OC[C@@H](O)CN1CCC[NH+](C)CC1	ZINC000020535790	524008207	/nfs/dbraw/zinc/00/82/07/524008207.db2.gz	BCWHGBMVXSMUHI-NRFANRHFSA-N	2	0	447.645	3.074	50	0		IGAARP
COc1ccc(C[NH2+]CCCn2cccn2)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012441965	524070623	/nfs/dbraw/zinc/07/06/23/524070623.db2.gz	ZQSJUXNARQDVDX-JOCHJYFZSA-N	2	0	430.593	3.077	50	0		IGAARP
Cc1cc(C)n(CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1	ZINC000012477721	524515699	/nfs/dbraw/zinc/51/56/99/524515699.db2.gz	CYHFQIBFNIRGFI-JOCHJYFZSA-N	2	0	443.611	3.332	50	0		IGAARP
CC[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1	ZINC000012076497	556397991	/nfs/dbraw/zinc/39/79/91/556397991.db2.gz	NYMQFHJEBGCGAI-NRFANRHFSA-N	3	0	432.628	3.160	50	0		IGAARP
COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CC[NH+](Cc2ccccc2C)CC1	ZINC000019113653	556700018	/nfs/dbraw/zinc/70/00/18/556700018.db2.gz	JVJDKZNLZPUTID-UHFFFAOYSA-N	2	0	425.573	3.338	50	0		IGAARP
CCC[NH+]1CCC(CC(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1	ZINC000055154366	556736266	/nfs/dbraw/zinc/73/62/66/556736266.db2.gz	UTLYRVOJJWTXLN-DEOSSOPVSA-N	2	0	430.612	3.451	50	0		IGAARP
CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC[NH+]4CCCCCC4)c(C)c32)CC1	ZINC000033048370	556744670	/nfs/dbraw/zinc/74/46/70/556744670.db2.gz	XNQMWBNLFZCLBU-UHFFFAOYSA-N	2	0	444.649	3.138	50	0		IGAARP
COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012050652	557525434	/nfs/dbraw/zinc/52/54/34/557525434.db2.gz	YSHOBFJJOJRYNS-HSZRJFAPSA-N	2	0	428.573	3.083	50	0		IGAARP
CCC[NH+]1CCN(C(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)CC1	ZINC000015961448	563020539	/nfs/dbraw/zinc/02/05/39/563020539.db2.gz	RZCWMDFCFUXRLU-UHFFFAOYSA-N	2	0	440.661	3.410	50	0		IGAARP
c1ccc(C[NH+]2CCN(c3ccnc(N4CC[NH+](Cc5ccccc5)CC4)n3)CC2)cc1	ZINC000096286666	569390194	/nfs/dbraw/zinc/39/01/94/569390194.db2.gz	JLSZTAWUYCPTMX-UHFFFAOYSA-N	2	0	428.584	3.121	50	0		IGAARP
CCN1CCC[C@@H]1C[N@@H+](Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1	ZINC000020910694	521632819	/nfs/dbraw/zinc/63/28/19/521632819.db2.gz	BWGGUJCVTBFTIG-XMMPIXPASA-N	2	0	431.621	3.118	50	0		IGAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1	ZINC000012711354	521634579	/nfs/dbraw/zinc/63/45/79/521634579.db2.gz	KPLXEHJPIYKXCK-HXUWFJFHSA-N	2	0	431.577	3.017	50	0		IGAARP
COc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000020999752	522383548	/nfs/dbraw/zinc/38/35/48/522383548.db2.gz	PNVPCTQCYRYXNO-DEOSSOPVSA-N	2	0	445.648	3.229	50	0		IGAARP
COc1cc(C[NH2+]CCc2ccccn2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012429984	522455326	/nfs/dbraw/zinc/45/53/26/522455326.db2.gz	OUFLVMGZICPJJG-HSZRJFAPSA-N	2	0	427.589	3.428	50	0		IGAARP
COc1ccc(C[NH2+]CCn2nc(C)cc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012453589	524071458	/nfs/dbraw/zinc/07/14/58/524071458.db2.gz	WRDNFIDZLHJRPK-QHCPKHFHSA-N	2	0	444.620	3.304	50	0		IGAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3cccc(SC)c3)c2)CC1	ZINC000019222188	556716195	/nfs/dbraw/zinc/71/61/95/556716195.db2.gz	XGFYAHZWPSXZLV-QFIPXVFZSA-N	2	0	429.630	3.076	50	0		IGAARP
CSc1cccc(C[NH2+]Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)c1	ZINC000019939505	556953350	/nfs/dbraw/zinc/95/33/50/556953350.db2.gz	WZZUKQHMQQEYER-UHFFFAOYSA-N	2	0	429.615	3.185	50	0		IGAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]CCCC3CCCC3)cc2OC)CC1	ZINC000022919458	557046627	/nfs/dbraw/zinc/04/66/27/557046627.db2.gz	JIVQPEAIKVUNPU-QHCPKHFHSA-N	2	0	433.637	3.132	50	0		IGAARP
CC[NH+](CC)CCN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c1	ZINC000023359101	557087377	/nfs/dbraw/zinc/08/73/77/557087377.db2.gz	OGEIYOQQBBHYAS-XMMPIXPASA-N	2	0	443.632	3.341	50	0		IGAARP
COc1cc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc(OC)c1OC	ZINC000012112308	522378956	/nfs/dbraw/zinc/37/89/56/522378956.db2.gz	VYNORNWFEXOOBM-LJQANCHMSA-N	2	0	447.620	3.257	50	0		IGAARP
COc1ccc(C[NH2+]CCc2cccnc2)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1	ZINC000012318479	524070793	/nfs/dbraw/zinc/07/07/93/524070793.db2.gz	PPYWJZMNFRTPPM-HSZRJFAPSA-N	2	0	427.589	3.428	50	0		IGAARP
COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCCC[NH+]3CCCCC3)CC1)cn2C	ZINC000035457822	525602288	/nfs/dbraw/zinc/60/22/88/525602288.db2.gz	YFTSNEOZHOEPBJ-UHFFFAOYSA-N	2	0	426.605	3.391	50	0		IGAARP
O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012279396	526994120	/nfs/dbraw/zinc/99/41/20/526994120.db2.gz	SRRODPDCOZNMTK-DHIUTWEWSA-N	2	0	425.548	3.450	50	0		IGAARP
CC[N@H+](C)C[C@H]1CCN(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)C1	ZINC000072305283	556553268	/nfs/dbraw/zinc/55/32/68/556553268.db2.gz	RFNSNIJEWGEXIC-JOCHJYFZSA-N	2	0	425.573	3.164	50	0		IGAARP
COc1cc2c(cc1OC)CN(Cc1c([O-])c(C[NH+]3CCCCCC3)coc1=O)CC2	ZINC000100796864	556675040	/nfs/dbraw/zinc/67/50/40/556675040.db2.gz	XYEQCSGMOPDAFT-UHFFFAOYSA-N	2	0	428.529	3.297	50	0		IGAARP
CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000058198082	556770815	/nfs/dbraw/zinc/77/08/15/556770815.db2.gz	URZZORBAVXRMRV-OAHLLOKOSA-N	2	0	441.947	3.395	50	0		IGAARP
CC(C)[C@H](CNC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[NH+](C)C	ZINC000058306095	556779088	/nfs/dbraw/zinc/77/90/88/556779088.db2.gz	SJKNMZRTMHBEND-FQEVSTJZSA-N	2	0	443.558	3.103	50	0		IGAARP
CSc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCc4ccccc4)CC3)[C@H](O)C2)c1	ZINC000023374461	568613631	/nfs/dbraw/zinc/61/36/31/568613631.db2.gz	RIQKUUCVEDMJGM-JWQCQUIFSA-N	2	0	425.642	3.204	50	0		IGAARP
O[C@@H](COc1ccc(-c2ccc(OC[C@H](O)C[NH+]3CCCC3)cc2)cc1)C[NH+]1CCCC1	ZINC000000895808	569176307	/nfs/dbraw/zinc/17/63/07/569176307.db2.gz	VZXZHBUESVWXPP-DNQXCXABSA-N	2	0	440.584	3.025	50	0		IGAARP
Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1	ZINC000095456845	569368901	/nfs/dbraw/zinc/36/89/01/569368901.db2.gz	HZXQWKWFIINKKP-UHFFFAOYSA-N	2	0	425.577	3.284	50	0		IGAARP
COC(=O)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C(=O)OC)cc4)cc3)cc2)cc1	ZINC000009434431	569534718	/nfs/dbraw/zinc/53/47/18/569534718.db2.gz	QGIFTBUEVYGADP-UHFFFAOYSA-N	2	0	426.472	3.480	50	0		IGAARP
COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1	ZINC000012190252	522029808	/nfs/dbraw/zinc/02/98/08/522029808.db2.gz	PSASREPBRQSTCB-RJGXRXQPSA-N	2	0	427.589	3.208	50	0		IGAARP
Cn1cc(/C=C/C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)cn1	ZINC000012592296	524053276	/nfs/dbraw/zinc/05/32/76/524053276.db2.gz	RWKLVMOKNWEYTQ-MDZDMXLPSA-N	2	0	449.643	3.093	50	0		IGAARP
COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012467233	524069767	/nfs/dbraw/zinc/06/97/67/524069767.db2.gz	ADTSETPBKLTFOU-QHCPKHFHSA-N	2	0	442.600	3.352	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cc(C3CC3)on2)C1	ZINC000012582017	524448478	/nfs/dbraw/zinc/44/84/78/524448478.db2.gz	UDFIPXDFFNITTP-IBGZPJMESA-N	2	0	440.588	3.477	50	0		IGAARP
Cc1cc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)ccc1N1CC[NH+](C)CC1	ZINC000012823458	525204781	/nfs/dbraw/zinc/20/47/81/525204781.db2.gz	RRHPGNLQUZOWRW-UHFFFAOYSA-N	2	0	436.604	3.451	50	0		IGAARP
COC(=O)C1CC[NH+](Cc2ccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c(OC)c2)CC1	ZINC000011874398	556370682	/nfs/dbraw/zinc/37/06/82/556370682.db2.gz	SUEQEBLCCOWLAJ-QFIPXVFZSA-N	2	0	448.604	3.084	50	0		IGAARP
CC(=O)N1CCC([N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)CC1	ZINC000011933992	556377217	/nfs/dbraw/zinc/37/72/17/556377217.db2.gz	RUFCTCGOIPSUNP-HHHXNRCGSA-N	2	0	439.644	3.358	50	0		IGAARP
Cc1nn(C)c(C)c1C[NH2+]Cc1cc2ccc(F)cc2n(CC[NH+]2CCCCC2)c1=O	ZINC000015067517	556493888	/nfs/dbraw/zinc/49/38/88/556493888.db2.gz	MWSQZXDGWKGHDO-UHFFFAOYSA-N	2	0	425.552	3.267	50	0		IGAARP
COc1ccc(C[NH+]2CCC(Oc3cccc(C(=O)N(C)CC[NH+](C)C)c3)CC2)cc1	ZINC000015068702	556494198	/nfs/dbraw/zinc/49/41/98/556494198.db2.gz	XFPLIQWWSSNNMG-UHFFFAOYSA-N	2	0	425.573	3.372	50	0		IGAARP
c1ccc(N2CC[NH+](Cc3ccc(C[NH+]4CCN(c5ccccn5)CC4)cc3)CC2)nc1	ZINC000015403616	556524533	/nfs/dbraw/zinc/52/45/33/556524533.db2.gz	IVYUJMHGOJGAAX-UHFFFAOYSA-N	2	0	428.584	3.121	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cnn(C(C)C)c2)C1	ZINC000011844543	556660578	/nfs/dbraw/zinc/66/05/78/556660578.db2.gz	DQCJFXVUMCCEJJ-NRFANRHFSA-N	2	0	441.620	3.389	50	0		IGAARP
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCN(c2cc[nH+]cc2)C1	ZINC000033128862	556866117	/nfs/dbraw/zinc/86/61/17/556866117.db2.gz	UGASHKQEHBKGLL-FQEVSTJZSA-N	2	0	442.007	3.280	50	0		IGAARP
Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1	ZINC000020351447	557009032	/nfs/dbraw/zinc/00/90/32/557009032.db2.gz	NOESCTQIRDAMOK-DEOSSOPVSA-N	2	0	439.648	3.435	50	0		IGAARP
CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccc3ccccc3c2)C1	ZINC000023352482	557086348	/nfs/dbraw/zinc/08/63/48/557086348.db2.gz	CJEWKNASVYYWHG-ZEQKJWHPSA-N	2	0	436.644	3.442	50	0		IGAARP
CCn1cc(C[NH2+]Cc2ccc(OC[C@@H](O)C[NH+]3CCCCCCC3)c(OC)c2)cn1	ZINC000014960671	557223745	/nfs/dbraw/zinc/22/37/45/557223745.db2.gz	KJGVDILMYJRYEQ-QFIPXVFZSA-N	2	0	430.593	3.207	50	0		IGAARP
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1	ZINC000253602921	568644078	/nfs/dbraw/zinc/64/40/78/568644078.db2.gz	GVWPKKPYEKPYCT-RTBURBONSA-N	2	0	435.547	3.197	50	0		IGAARP
C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1	ZINC000253602918	568644119	/nfs/dbraw/zinc/64/41/19/568644119.db2.gz	GVWPKKPYEKPYCT-OALUTQOASA-N	2	0	435.547	3.197	50	0		IGAARP
C[NH+](C)CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC[NH+](C)C)cc2)cc1	ZINC000004794748	568940178	/nfs/dbraw/zinc/94/01/78/568940178.db2.gz	VVCGWJVXIUOLJG-UHFFFAOYSA-N	2	0	428.533	3.498	50	0		IGAARP
Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)C3CCN(c4cc[nH+]cc4)CC3)CC2)c1	ZINC000033129039	569587358	/nfs/dbraw/zinc/58/73/58/569587358.db2.gz	LXRQYZSLPAGFSU-UHFFFAOYSA-N	2	0	435.616	3.243	50	0		IGAARP
COc1cc(C[NH2+]CC2(O)CCCCC2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000015069463	522445196	/nfs/dbraw/zinc/44/51/96/522445196.db2.gz	NDTCMLDDPWTWNV-JOCHJYFZSA-N	2	0	434.621	3.486	50	0		IGAARP
COc1cc(C[NH2+]CCc2ccc(C)cc2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012210739	522454277	/nfs/dbraw/zinc/45/42/77/522454277.db2.gz	SELQANUPFKIUBI-QFIPXVFZSA-N	2	0	430.614	3.124	50	0		IGAARP
COCCOC1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1	ZINC000012438759	523975703	/nfs/dbraw/zinc/97/57/03/523975703.db2.gz	MFRIZSKELAVEGP-QHCPKHFHSA-N	2	0	434.621	3.318	50	0		IGAARP
C[C@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000035422025	526249581	/nfs/dbraw/zinc/24/95/81/526249581.db2.gz	RRJZGEADWYVAHD-NRFANRHFSA-N	2	0	442.648	3.123	50	0		IGAARP
O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012373120	526407794	/nfs/dbraw/zinc/40/77/94/526407794.db2.gz	LMVGFXPRHPCGHN-JOCHJYFZSA-N	2	0	425.573	3.155	50	0		IGAARP
COC(=O)C1CC[NH+](Cc2ccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c(OC)c2)CC1	ZINC000011874399	556370764	/nfs/dbraw/zinc/37/07/64/556370764.db2.gz	SUEQEBLCCOWLAJ-JOCHJYFZSA-N	2	0	448.604	3.084	50	0		IGAARP
COc1cc(C[NH2+]CCOc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011821106	556658377	/nfs/dbraw/zinc/65/83/77/556658377.db2.gz	XGFCAHWMMHINAT-QFIPXVFZSA-N	2	0	443.588	3.265	50	0		IGAARP
CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[NH+](C)C	ZINC000058306092	556779118	/nfs/dbraw/zinc/77/91/18/556779118.db2.gz	SJKNMZRTMHBEND-HXUWFJFHSA-N	2	0	443.558	3.103	50	0		IGAARP
CC[NH+]1CCC[C@H]1CNC(=O)Nc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CC)ccc1C	ZINC000011004715	557239271	/nfs/dbraw/zinc/23/92/71/557239271.db2.gz	GUAXYQVCTDOJIN-PMACEKPBSA-N	2	0	430.597	3.207	50	0		IGAARP
C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1	ZINC000012314770	562981142	/nfs/dbraw/zinc/98/11/42/562981142.db2.gz	VBDXXWFJXUCULH-VWLOTQADSA-N	3	0	425.617	3.380	50	0		IGAARP
C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](Cc2cccn2-c2ccc(Cl)cn2)CC3)CC1	ZINC000299787853	568757411	/nfs/dbraw/zinc/75/74/11/568757411.db2.gz	YFJVTHOUHCCGPT-NRFANRHFSA-N	2	0	442.007	3.292	50	0		IGAARP
CC[NH+]1CCC[C@@H]1CNC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC)ccc1C	ZINC000240551462	568911875	/nfs/dbraw/zinc/91/18/75/568911875.db2.gz	GUAXYQVCTDOJIN-WOJBJXKFSA-N	2	0	430.597	3.207	50	0		IGAARP
CC[NH+]1CCC[C@@H]1CNC(=O)Nc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CC)ccc1C	ZINC000240551461	568911956	/nfs/dbraw/zinc/91/19/56/568911956.db2.gz	GUAXYQVCTDOJIN-VQTJNVASSA-N	2	0	430.597	3.207	50	0		IGAARP
CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000089967582	569169060	/nfs/dbraw/zinc/16/90/60/569169060.db2.gz	YACOUEJGEILHBV-DEOSSOPVSA-N	2	0	442.648	3.300	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCc3ccccc3)c2)CC1	ZINC000012466454	522914778	/nfs/dbraw/zinc/91/47/78/522914778.db2.gz	DPEINVWPQIMGDM-DEOSSOPVSA-N	2	0	440.584	3.034	50	0		IGAARP
COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012298799	524073423	/nfs/dbraw/zinc/07/34/23/524073423.db2.gz	YCWDKYVXXWWZDQ-QFIPXVFZSA-N	2	0	430.593	3.033	50	0		IGAARP
CCc1ccc(C[N@H+](C)Cc2cc(OC)ccc2OC[C@H](O)C[NH+]2CCC(O)CC2)cc1	ZINC000011705647	556347752	/nfs/dbraw/zinc/34/77/52/556347752.db2.gz	HTBNOURCSUTMEA-XMMPIXPASA-N	2	0	442.600	3.086	50	0		IGAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C3	ZINC000011788126	556354409	/nfs/dbraw/zinc/35/44/09/556354409.db2.gz	LYNLJFZBKFMTTI-CYBMUJFWSA-N	2	0	436.503	3.084	50	0		IGAARP
COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cnc(N4CCOCC4)s3)CC2)cc1	ZINC000015064125	556491641	/nfs/dbraw/zinc/49/16/41/556491641.db2.gz	KQCFKXYJJOSSAM-UHFFFAOYSA-N	2	0	444.645	3.375	50	0		IGAARP
Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCCCC1)C2	ZINC000032533090	556540589	/nfs/dbraw/zinc/54/05/89/556540589.db2.gz	RMVZVLARATYAQT-HXUWFJFHSA-N	2	0	427.637	3.292	50	0		IGAARP
COc1ccc(CNCC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000055198051	556737156	/nfs/dbraw/zinc/73/71/56/556737156.db2.gz	NAMQDUFKHMWSEQ-QHCPKHFHSA-N	2	0	443.632	3.244	50	0		IGAARP
CC(C)[NH+]1CCC(N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)C[C@H]2CCO)CC1	ZINC000104633632	568837545	/nfs/dbraw/zinc/83/75/45/568837545.db2.gz	PMGWBVBRYPBUCA-OAQYLSRUSA-N	2	0	448.011	3.131	50	0		IGAARP
CC[NH+](CC)C[C@H](O)COc1cc(C[NH+]2CCC(Oc3cccnc3)CC2)ccc1OC	ZINC000012320443	520737030	/nfs/dbraw/zinc/73/70/30/520737030.db2.gz	KZKFHIDXJIJLNW-NRFANRHFSA-N	2	0	443.588	3.215	50	0		IGAARP
CC[NH+]1CCN(CC(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1	ZINC000022851590	521672892	/nfs/dbraw/zinc/67/28/92/521672892.db2.gz	OKZVOLOOZFOGIE-XMMPIXPASA-N	2	0	441.664	3.092	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(F)cc3)c2)CC1	ZINC000012714293	522916275	/nfs/dbraw/zinc/91/62/75/522916275.db2.gz	AJSJSYLTWHYMPH-HSZRJFAPSA-N	2	0	444.547	3.082	50	0		IGAARP
COc1ccc(OC)c(C[NH2+]Cc2ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c2)c1	ZINC000012611984	524836098	/nfs/dbraw/zinc/83/60/98/524836098.db2.gz	UVRGEQWTPVCRSJ-FQEVSTJZSA-N	2	0	432.561	3.082	50	0		IGAARP
O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CC1([NH+]2CCOCC2)CCCCC1	ZINC000012207796	526993176	/nfs/dbraw/zinc/99/31/76/526993176.db2.gz	YYICTLOMJXGFGN-JOCHJYFZSA-N	2	0	447.595	3.210	50	0		IGAARP
CN1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3cccc4nonc43)CC2)CC1	ZINC000011821240	556362780	/nfs/dbraw/zinc/36/27/80/556362780.db2.gz	YZIYEDDIVNSTBM-UHFFFAOYSA-N	2	0	434.588	3.426	50	0		IGAARP
CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000072293176	556502983	/nfs/dbraw/zinc/50/29/83/556502983.db2.gz	UOVUGERKXLQJOX-QFIPXVFZSA-N	2	0	430.637	3.012	50	0		IGAARP
O=S(=O)(NCC[N@@H+]1CCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1	ZINC000062581830	556685174	/nfs/dbraw/zinc/68/51/74/556685174.db2.gz	RWLOYTFXSWNKGM-XMMPIXPASA-N	2	0	427.614	3.342	50	0		IGAARP
COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1	ZINC000252584425	556691927	/nfs/dbraw/zinc/69/19/27/556691927.db2.gz	AJNNWLJFALCNSV-WOJBJXKFSA-N	2	0	448.489	3.049	50	0		IGAARP
COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C(F)(F)F)CC2)c1	ZINC000252584424	569191154	/nfs/dbraw/zinc/19/11/54/569191154.db2.gz	AJNNWLJFALCNSV-VQTJNVASSA-N	2	0	448.489	3.049	50	0		IGAARP
CC(C)[N@@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1	ZINC000012278918	519697556	/nfs/dbraw/zinc/69/75/56/519697556.db2.gz	ONBIFDVKCIKEMF-PKTZIBPZSA-N	2	0	448.652	3.008	50	0		IGAARP
CC[NH+](CC)C[C@@H](O)COc1cc(C[NH+]2CCC(Oc3cccnc3)CC2)ccc1OC	ZINC000012320442	520721980	/nfs/dbraw/zinc/72/19/80/520721980.db2.gz	KZKFHIDXJIJLNW-OAQYLSRUSA-N	2	0	443.588	3.215	50	0		IGAARP
CCN1CCC[C@H]1C[N@@H+](Cc1ccc(C(=O)OC)cc1)CC1CC[NH+](CCOC)CC1	ZINC000020910698	521653527	/nfs/dbraw/zinc/65/35/27/521653527.db2.gz	BWGGUJCVTBFTIG-DEOSSOPVSA-N	2	0	431.621	3.118	50	0		IGAARP
COc1cc(C[NH2+]CCCn2ncc3ccccc32)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000012477045	522450605	/nfs/dbraw/zinc/45/06/05/522450605.db2.gz	PBDZFFFJQGWKQD-QFIPXVFZSA-N	2	0	440.588	3.305	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCCC3CCCC3)cc2)CC1	ZINC000012092126	522917280	/nfs/dbraw/zinc/91/72/80/522917280.db2.gz	GNIRJLFZCKOUQF-QHCPKHFHSA-N	2	0	432.605	3.371	50	0		IGAARP
COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000020454736	524032213	/nfs/dbraw/zinc/03/22/13/524032213.db2.gz	FXBWUZKBAWCAAQ-HSZRJFAPSA-N	2	0	433.637	3.227	50	0		IGAARP
COc1ccc(C[NH2+]CCc2ccccn2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012192835	524071238	/nfs/dbraw/zinc/07/12/38/524071238.db2.gz	FMOOTGIWEJFWIR-DEOSSOPVSA-N	2	0	435.568	3.294	50	0		IGAARP
COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012298800	524073417	/nfs/dbraw/zinc/07/34/17/524073417.db2.gz	YCWDKYVXXWWZDQ-JOCHJYFZSA-N	2	0	430.593	3.033	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccccc2)C1	ZINC000012442920	524449470	/nfs/dbraw/zinc/44/94/70/524449470.db2.gz	UGPLNUPTUWSFIN-OAQYLSRUSA-N	2	0	437.584	3.180	50	0		IGAARP
OCCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012197460	527558624	/nfs/dbraw/zinc/55/86/24/527558624.db2.gz	BGYXIDSLXSUJKM-OAQYLSRUSA-N	2	0	442.629	3.415	50	0		IGAARP
CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N(C)CCc3ccc(OC)c(OC)c3)C2)CC1	ZINC000004177219	555973713	/nfs/dbraw/zinc/97/37/13/555973713.db2.gz	MLILDHGKOQQMFA-OAQYLSRUSA-N	2	0	431.621	3.291	50	0		IGAARP
CCOC(=O)C1CC[NH+](Cc2ccccc2OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC1	ZINC000011770360	556350226	/nfs/dbraw/zinc/35/02/26/556350226.db2.gz	LJXWKRWFCPDBHV-QHCPKHFHSA-N	2	0	432.605	3.466	50	0		IGAARP
C[NH+](C[C@@H](O)COc1ccccc1C[N@H+](C)CCCC[NH+]1CCOCC1)C1CCCCC1	ZINC000011874229	556370206	/nfs/dbraw/zinc/37/02/06/556370206.db2.gz	ZCWDNQDGPNBYIZ-RUZDIDTESA-N	3	0	447.664	3.235	50	0		IGAARP
CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1	ZINC000072293175	556502965	/nfs/dbraw/zinc/50/29/65/556502965.db2.gz	UOVUGERKXLQJOX-JOCHJYFZSA-N	2	0	430.637	3.012	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cnn(C(C)C)c2)C1	ZINC000011844542	556660569	/nfs/dbraw/zinc/66/05/69/556660569.db2.gz	DQCJFXVUMCCEJJ-OAQYLSRUSA-N	2	0	441.620	3.389	50	0		IGAARP
CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)CC1	ZINC000023358893	557087603	/nfs/dbraw/zinc/08/76/03/557087603.db2.gz	NZKQWHSRORVFGH-HSZRJFAPSA-N	2	0	432.008	3.050	50	0		IGAARP
Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C	ZINC000025053708	557191744	/nfs/dbraw/zinc/19/17/44/557191744.db2.gz	KSAMFPBYTITWQT-UHFFFAOYSA-N	2	0	436.604	3.451	50	0		IGAARP
CC(C)[NH+]1CCC(N2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]2CCO)CC1	ZINC000104625397	568837574	/nfs/dbraw/zinc/83/75/74/568837574.db2.gz	PGRHEVVSCBBTEV-HSZRJFAPSA-N	2	0	446.039	3.472	50	0		IGAARP
CC(C)(C)c1ccc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CC[NH2+]CC2)cc1	ZINC000035422002	519013733	/nfs/dbraw/zinc/01/37/33/519013733.db2.gz	USVONTGBEAGPFM-UHFFFAOYSA-N	2	0	442.648	3.124	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCc3ccccc3)c2)CC1	ZINC000012466450	522915894	/nfs/dbraw/zinc/91/58/94/522915894.db2.gz	DPEINVWPQIMGDM-XMMPIXPASA-N	2	0	440.584	3.034	50	0		IGAARP
CCn1cc(C[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCCCCCC3)c(OC)c2)cn1	ZINC000014960677	523384545	/nfs/dbraw/zinc/38/45/45/523384545.db2.gz	KJGVDILMYJRYEQ-JOCHJYFZSA-N	2	0	430.593	3.207	50	0		IGAARP
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)C1CCOCC1	ZINC000012575330	524053437	/nfs/dbraw/zinc/05/34/37/524053437.db2.gz	NPPLGYPFDUKZKV-UHFFFAOYSA-N	2	0	427.633	3.073	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cccnc2OC)C1	ZINC000012584846	524449940	/nfs/dbraw/zinc/44/99/40/524449940.db2.gz	MXCSFBNMBBUIAX-HXUWFJFHSA-N	2	0	440.588	3.015	50	0		IGAARP
Cc1cc(C)n(CCC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1	ZINC000012477731	524515382	/nfs/dbraw/zinc/51/53/82/524515382.db2.gz	CYHFQIBFNIRGFI-QFIPXVFZSA-N	2	0	443.611	3.332	50	0		IGAARP
COc1ccc(OC)c(C[NH2+]Cc2ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c2)c1	ZINC000012611991	524837463	/nfs/dbraw/zinc/83/74/63/524837463.db2.gz	UVRGEQWTPVCRSJ-HXUWFJFHSA-N	2	0	432.561	3.082	50	0		IGAARP
COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011937656	556379563	/nfs/dbraw/zinc/37/95/63/556379563.db2.gz	JDEZKHVRPFEFJQ-DEOSSOPVSA-N	2	0	435.568	3.294	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)Cc2c(C)noc2C)C1	ZINC000012057334	556394892	/nfs/dbraw/zinc/39/48/92/556394892.db2.gz	BRJUXEPPGABYSP-OAQYLSRUSA-N	2	0	442.604	3.145	50	0		IGAARP
COc1cc(C[N@H+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1	ZINC000012075366	556397400	/nfs/dbraw/zinc/39/74/00/556397400.db2.gz	BUCIZGPABLBYMQ-JOCHJYFZSA-N	2	0	430.593	3.097	50	0		IGAARP
COc1ccccc1C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000015077068	556499560	/nfs/dbraw/zinc/49/95/60/556499560.db2.gz	KRZFYQHSZYVJBB-OAQYLSRUSA-N	2	0	446.613	3.124	50	0		IGAARP
CC[N@H+](C)C[C@@H]1CCN(CC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)C1	ZINC000072305282	556553242	/nfs/dbraw/zinc/55/32/42/556553242.db2.gz	RFNSNIJEWGEXIC-QFIPXVFZSA-N	2	0	425.573	3.164	50	0		IGAARP
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCC[C@H]1CO	ZINC000019300250	556735156	/nfs/dbraw/zinc/73/51/56/556735156.db2.gz	AWKKMTGRNQVUCK-VWLOTQADSA-N	2	0	427.633	3.169	50	0		IGAARP
CCC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc3ccccc3)c2)CC1	ZINC000023358148	557087036	/nfs/dbraw/zinc/08/70/36/557087036.db2.gz	XRUHQADZOBHKCD-XMMPIXPASA-N	2	0	441.616	3.095	50	0		IGAARP
CCC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)c2)CC1	ZINC000023358146	557087058	/nfs/dbraw/zinc/08/70/58/557087058.db2.gz	XRUHQADZOBHKCD-DEOSSOPVSA-N	2	0	441.616	3.095	50	0		IGAARP
CC[NH+](CC)CCN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1	ZINC000023359098	557087524	/nfs/dbraw/zinc/08/75/24/557087524.db2.gz	OGEIYOQQBBHYAS-DEOSSOPVSA-N	2	0	443.632	3.341	50	0		IGAARP
COc1ccc2c(c1)c(C[NH+]1CCC(C(=O)NCC[C@@H](C)[NH+]3CCCC3)CC1)cn2C	ZINC000064669698	568943355	/nfs/dbraw/zinc/94/33/55/568943355.db2.gz	GENIKUQFSORADQ-LJQANCHMSA-N	2	0	426.605	3.390	50	0		IGAARP
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccc(OC)c(C)c3C)C[C@H]2C(=O)NC(C)C)CC1	ZINC000023362508	519844655	/nfs/dbraw/zinc/84/46/55/519844655.db2.gz	LHWYQKQOIRVPNQ-VWNXMTODSA-N	2	0	444.664	3.244	50	0		IGAARP
CC1=C(C(=O)NCC[N@@H+](C)C2CCCCC2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O	ZINC000021868430	520796365	/nfs/dbraw/zinc/79/63/65/520796365.db2.gz	LFNASJBFCZGGSQ-UHFFFAOYSA-N	2	0	439.600	3.275	50	0		IGAARP
CCn1cc(C[NH+]2CCC(Oc3ccc(C(=O)NCC[NH+](C)C)cc3Cl)CC2)c(C)n1	ZINC000012298738	523368072	/nfs/dbraw/zinc/36/80/72/523368072.db2.gz	XJNKXCKFIZCWJG-UHFFFAOYSA-N	2	0	448.011	3.200	50	0		IGAARP
CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](C3CSCCSC3)CC2)c1	ZINC000012314177	524061160	/nfs/dbraw/zinc/06/11/60/524061160.db2.gz	JMUKSQDSUJFISL-UHFFFAOYSA-N	2	0	437.675	3.012	50	0		IGAARP
O=C(C[NH+]1CCCCC1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012386234	526736545	/nfs/dbraw/zinc/73/65/45/526736545.db2.gz	MBDMKZBWKYZFQE-AREMUKBSSA-N	2	0	439.644	3.359	50	0		IGAARP
COCc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)o1	ZINC000015066086	556492794	/nfs/dbraw/zinc/49/27/94/556492794.db2.gz	PBHFVFDKZZEEFC-LJQANCHMSA-N	2	0	431.552	3.481	50	0		IGAARP
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccccc3OC)s2)CC1	ZINC000007002097	569117444	/nfs/dbraw/zinc/11/74/44/569117444.db2.gz	SWZFTOFUUBKELR-UHFFFAOYSA-N	2	0	426.590	3.159	50	0		IGAARP
O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1	ZINC000065256200	569123094	/nfs/dbraw/zinc/12/30/94/569123094.db2.gz	MXPAIUSWVZCBHX-RUZDIDTESA-N	2	0	441.579	3.021	50	0		IGAARP
COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1	ZINC000170614618	569146365	/nfs/dbraw/zinc/14/63/65/569146365.db2.gz	AJNNWLJFALCNSV-PMACEKPBSA-N	2	0	448.489	3.049	50	0		IGAARP
CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC[C@H](O)CN2CCC[NH+](C)CC2)c1	ZINC000020449255	521371055	/nfs/dbraw/zinc/37/10/55/521371055.db2.gz	JDUYGPYWTWAFRF-XMMPIXPASA-N	2	0	441.616	3.095	50	0		IGAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1ccc(F)cc1	ZINC000012091793	521653408	/nfs/dbraw/zinc/65/34/08/521653408.db2.gz	BDVXDWMFNZZISC-DEOSSOPVSA-N	2	0	433.612	3.430	50	0		IGAARP
COc1cc(C[N@H+](C)CCc2cnn(C)c2)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1	ZINC000012593805	522349996	/nfs/dbraw/zinc/34/99/96/522349996.db2.gz	NLYNMMNNXNJCBE-QHCPKHFHSA-N	2	0	444.620	3.107	50	0		IGAARP
COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000012458583	522441739	/nfs/dbraw/zinc/44/17/39/522441739.db2.gz	WMFHMCORGWAOTA-NRFANRHFSA-N	2	0	428.598	3.263	50	0		IGAARP
COc1cc(C[NH2+]Cc2[nH]nc3c2CCC3)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012433364	522471460	/nfs/dbraw/zinc/47/14/60/522471460.db2.gz	WNQCOJSKRFXUSX-FQEVSTJZSA-N	2	0	442.604	3.201	50	0		IGAARP
COc1cc(C[NH2+]Cc2[nH]nc3c2CCC3)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012433365	522472282	/nfs/dbraw/zinc/47/22/82/522472282.db2.gz	WNQCOJSKRFXUSX-HXUWFJFHSA-N	2	0	442.604	3.201	50	0		IGAARP
CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+](C)CCCC[NH+]1CCOCC1	ZINC000012433458	522735274	/nfs/dbraw/zinc/73/52/74/522735274.db2.gz	FRJZJICCYFTJEJ-UHFFFAOYSA-N	2	0	449.599	3.151	50	0		IGAARP
COc1ccc(C[NH2+]CCn2nc(C)cc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012453591	524071559	/nfs/dbraw/zinc/07/15/59/524071559.db2.gz	WRDNFIDZLHJRPK-HSZRJFAPSA-N	2	0	444.620	3.304	50	0		IGAARP
COc1ccccc1N1CCC([NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)CC1	ZINC000012448646	524537377	/nfs/dbraw/zinc/53/73/77/524537377.db2.gz	TYUCKDGGNGORFG-UHFFFAOYSA-N	2	0	440.632	3.119	50	0		IGAARP
O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CC1([NH+]2CCOCC2)CCCCC1	ZINC000012207787	526988956	/nfs/dbraw/zinc/98/89/56/526988956.db2.gz	YYICTLOMJXGFGN-QFIPXVFZSA-N	2	0	447.595	3.210	50	0		IGAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1	ZINC000014742294	556439152	/nfs/dbraw/zinc/43/91/52/556439152.db2.gz	LYLMLIPBTBVXAW-ZEQKJWHPSA-N	3	0	436.644	3.442	50	0		IGAARP
COc1ccc(C[NH2+]CCCOC(C)C)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000014970166	556466857	/nfs/dbraw/zinc/46/68/57/556466857.db2.gz	NOGZQWDPNOBRQK-QHCPKHFHSA-N	2	0	430.589	3.472	50	0		IGAARP
COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011937116	556675997	/nfs/dbraw/zinc/67/59/97/556675997.db2.gz	MXNXRLUQZBZGHH-HSZRJFAPSA-N	2	0	427.589	3.428	50	0		IGAARP
CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccc3ccccc3c2)C1	ZINC000023354108	557086689	/nfs/dbraw/zinc/08/66/89/557086689.db2.gz	YESMBSLPNHDLSP-ZEQKJWHPSA-N	2	0	436.644	3.298	50	0		IGAARP
CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)Cc2c(C)nc3ccccn32)ccc1OC	ZINC000012306103	520737191	/nfs/dbraw/zinc/73/71/91/520737191.db2.gz	ILPZJEAQQOSOIM-NRFANRHFSA-N	2	0	440.588	3.365	50	0		IGAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1(c2ccccc2)CC1	ZINC000012457636	521632886	/nfs/dbraw/zinc/63/28/86/521632886.db2.gz	CRLZOSNQHIPWHP-XMMPIXPASA-N	2	0	427.633	3.390	50	0		IGAARP
CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1	ZINC000012597586	521634427	/nfs/dbraw/zinc/63/44/27/521634427.db2.gz	FAESITWDVVZUIN-OAQYLSRUSA-N	2	0	425.577	3.329	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCCC3CCCC3)cc2)CC1	ZINC000012092119	522917004	/nfs/dbraw/zinc/91/70/04/522917004.db2.gz	GNIRJLFZCKOUQF-HSZRJFAPSA-N	2	0	432.605	3.371	50	0		IGAARP
Cc1c(C(=O)NCCC[N@@H+](C)C2CCCCC2)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048322	556744354	/nfs/dbraw/zinc/74/43/54/556744354.db2.gz	ISWRZPUQXUUCHT-UHFFFAOYSA-N	2	0	444.649	3.136	50	0		IGAARP
CC1CC[NH+](CC2CC[NH+](CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)CC1	ZINC000058307526	556779370	/nfs/dbraw/zinc/77/93/70/556779370.db2.gz	SMEALAGKVSJYKM-UHFFFAOYSA-N	2	0	440.632	3.308	50	0		IGAARP
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCCC3CCCC3)cc2OC)CC1	ZINC000022919453	557046225	/nfs/dbraw/zinc/04/62/25/557046225.db2.gz	JIVQPEAIKVUNPU-HSZRJFAPSA-N	2	0	433.637	3.132	50	0		IGAARP
Cc1cc(C)n(-c2cccc(C[N@H+]3CCN(C4CC[NH+](C(C)C)CC4)[C@@H](CCO)C3)c2)n1	ZINC000023145865	557068288	/nfs/dbraw/zinc/06/82/88/557068288.db2.gz	XHQMJQJPYIPLCZ-SANMLTNESA-N	2	0	439.648	3.231	50	0		IGAARP
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1	ZINC000253602916	568644014	/nfs/dbraw/zinc/64/40/14/568644014.db2.gz	GVWPKKPYEKPYCT-MOPGFXCFSA-N	2	0	435.547	3.197	50	0		IGAARP
CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)Cc2c(C)nc3ccccn32)ccc1OC	ZINC000012306100	520722228	/nfs/dbraw/zinc/72/22/28/520722228.db2.gz	ILPZJEAQQOSOIM-OAQYLSRUSA-N	2	0	440.588	3.365	50	0		IGAARP
COc1cc(C[N@H+](C)CCn2ccnc2C)ccc1OC[C@@H](O)C[NH+](C)C1CCCCC1	ZINC000012316700	522351101	/nfs/dbraw/zinc/35/11/01/522351101.db2.gz	JMOXQVBYBXXLFG-QHCPKHFHSA-N	2	0	444.620	3.336	50	0		IGAARP
CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)c2)cn1	ZINC000012706729	523383437	/nfs/dbraw/zinc/38/34/37/523383437.db2.gz	VYTYIPLEBOHWLF-QHCPKHFHSA-N	2	0	438.572	3.073	50	0		IGAARP
COc1ccc(C[N@H+](C)CCOc2ccc(C)cc2)c(OC[C@H](O)C[NH+]2CCCC2)c1	ZINC000012701474	524004657	/nfs/dbraw/zinc/00/46/57/524004657.db2.gz	QNDSKVCCCAUVGL-JOCHJYFZSA-N	2	0	428.573	3.350	50	0		IGAARP
COc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1	ZINC000020455125	524031674	/nfs/dbraw/zinc/03/16/74/524031674.db2.gz	YXIBZJVLDVYQAS-XMMPIXPASA-N	2	0	445.648	3.371	50	0		IGAARP
COc1ccc(C[NH2+]CCc2cccnc2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000011937657	556379604	/nfs/dbraw/zinc/37/96/04/556379604.db2.gz	JDEZKHVRPFEFJQ-XMMPIXPASA-N	2	0	435.568	3.294	50	0		IGAARP
COc1ccc(C[N@H+](C)CCn2ccnc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000011936341	556675887	/nfs/dbraw/zinc/67/58/87/556675887.db2.gz	GCQFQRDQDSXDCB-HSZRJFAPSA-N	3	0	444.620	3.338	50	0		IGAARP
COc1cc(C[NH2+]CCCn2ccnc2C)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000023338117	557085260	/nfs/dbraw/zinc/08/52/60/557085260.db2.gz	GGQDMHINLMTDCD-QHCPKHFHSA-N	2	0	444.620	3.384	50	0		IGAARP
O[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1	ZINC000023360399	557087562	/nfs/dbraw/zinc/08/75/62/557087562.db2.gz	HEJUUFKXOLIKBV-DNQXCXABSA-N	2	0	445.554	3.084	50	0		IGAARP
CCC[NH+]1CCN(C(=O)Nc2ccc(C)c(NC(=O)N3CC[NH+](CCC)CC3)c2)CC1	ZINC000089959094	569168899	/nfs/dbraw/zinc/16/88/99/569168899.db2.gz	OQSSPLUDVVHKSA-UHFFFAOYSA-N	2	0	430.597	3.114	50	0		IGAARP
COc1ccc(C(=O)NCC[NH+](C)C)cc1OC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000012430237	523698046	/nfs/dbraw/zinc/69/80/46/523698046.db2.gz	RIRHKFVJQQVZLM-UHFFFAOYSA-N	2	0	429.536	3.169	50	0		IGAARP
COc1ccc(C[NH2+]CC2(O)CCCCC2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012467239	524069857	/nfs/dbraw/zinc/06/98/57/524069857.db2.gz	ADTSETPBKLTFOU-HSZRJFAPSA-N	2	0	442.600	3.352	50	0		IGAARP
COc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012305375	524071223	/nfs/dbraw/zinc/07/12/23/524071223.db2.gz	WYHGOGDBRQMSSY-FQEVSTJZSA-N	2	0	438.572	3.129	50	0		IGAARP
O=C(CCC1CC[NH+](Cc2ccc(CO)o2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012373121	526407898	/nfs/dbraw/zinc/40/78/98/526407898.db2.gz	LMVGFXPRHPCGHN-QFIPXVFZSA-N	2	0	425.573	3.155	50	0		IGAARP
CCOC(=O)C1CC[NH+](Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)CC1	ZINC000011770349	556350202	/nfs/dbraw/zinc/35/02/02/556350202.db2.gz	LJXWKRWFCPDBHV-HSZRJFAPSA-N	2	0	432.605	3.466	50	0		IGAARP
CC(=O)N1CCC([N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)CC1	ZINC000011933991	556377247	/nfs/dbraw/zinc/37/72/47/556377247.db2.gz	RUFCTCGOIPSUNP-MHZLTWQESA-N	2	0	439.644	3.358	50	0		IGAARP
COc1cc(CNCC(C)(C)C[NH+](C)C)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000055109065	556734962	/nfs/dbraw/zinc/73/49/62/556734962.db2.gz	HARNPZNMGABZOU-JOCHJYFZSA-N	2	0	435.653	3.378	50	0		IGAARP
COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)c3ccccc23)CC[C@H]1N1CC[NH+](C)CC1	ZINC000023358732	557087390	/nfs/dbraw/zinc/08/73/90/557087390.db2.gz	LQHDGQPSPVWSEL-XUZZJYLKSA-N	2	0	439.600	3.240	50	0		IGAARP
COc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	ZINC000015073212	568635708	/nfs/dbraw/zinc/63/57/08/568635708.db2.gz	UGGJENCULARKJM-QFIPXVFZSA-N	2	0	428.598	3.042	50	0		IGAARP
Cn1cc(CC[NH+]2CCC(C(=O)N3CC[NH+](C4CCCCC4)CC3)CC2)c2cccnc21	ZINC000065164954	569112934	/nfs/dbraw/zinc/11/29/34/569112934.db2.gz	ZZARWCHTGHDNRI-UHFFFAOYSA-N	2	0	437.632	3.305	50	0		IGAARP
O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1	ZINC000065256032	569123102	/nfs/dbraw/zinc/12/31/02/569123102.db2.gz	ZZGDMZPJGAAPRT-VWLOTQADSA-N	2	0	441.579	3.021	50	0		IGAARP
CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCc1ccc(F)cc1	ZINC000012091788	521633054	/nfs/dbraw/zinc/63/30/54/521633054.db2.gz	BDVXDWMFNZZISC-XMMPIXPASA-N	2	0	433.612	3.430	50	0		IGAARP
CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1(c2ccccc2)CC1	ZINC000012457638	521653398	/nfs/dbraw/zinc/65/33/98/521653398.db2.gz	CRLZOSNQHIPWHP-DEOSSOPVSA-N	2	0	427.633	3.390	50	0		IGAARP
COc1cc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc(OC)c1OC	ZINC000012447451	521901903	/nfs/dbraw/zinc/90/19/03/521901903.db2.gz	GACIKYIPLDDIFT-QGZVFWFLSA-N	2	0	444.576	3.035	50	0		IGAARP
COc1ccc(C[NH2+]CCCn2cccn2)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012441962	524070230	/nfs/dbraw/zinc/07/02/30/524070230.db2.gz	ZQSJUXNARQDVDX-QFIPXVFZSA-N	2	0	430.593	3.077	50	0		IGAARP
O[C@@H](COc1ccccc1C[NH2+]Cc1cc2cc(F)ccc2[nH]1)C[NH+]1CCSCC1	ZINC000012385756	527662089	/nfs/dbraw/zinc/66/20/89/527662089.db2.gz	LMSILBOCXJVHLB-OAQYLSRUSA-N	2	0	429.561	3.385	50	0		IGAARP
C[N@H+](Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21)C1CCOCC1	ZINC000011664850	556345579	/nfs/dbraw/zinc/34/55/79/556345579.db2.gz	RXZXNJUCMRVQIV-UHFFFAOYSA-N	2	0	439.604	3.036	50	0		IGAARP
C[NH+](C[C@H](O)COc1ccccc1C[N@H+](C)CCCC[NH+]1CCOCC1)C1CCCCC1	ZINC000011874230	556370274	/nfs/dbraw/zinc/37/02/74/556370274.db2.gz	ZCWDNQDGPNBYIZ-VWLOTQADSA-N	3	0	447.664	3.235	50	0		IGAARP
COc1ccc(C[NH2+]CCCOC(C)C)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000014970170	556466828	/nfs/dbraw/zinc/46/68/28/556466828.db2.gz	NOGZQWDPNOBRQK-HSZRJFAPSA-N	2	0	430.589	3.472	50	0		IGAARP
Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1([NH+]3CCCCC3)CCCCC1)C2	ZINC000032533089	556540480	/nfs/dbraw/zinc/54/04/80/556540480.db2.gz	RMVZVLARATYAQT-FQEVSTJZSA-N	2	0	427.637	3.292	50	0		IGAARP
Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1	ZINC000043119863	556661104	/nfs/dbraw/zinc/66/11/04/556661104.db2.gz	NOESCTQIRDAMOK-XMMPIXPASA-N	2	0	439.648	3.435	50	0		IGAARP
Cc1c(C(=O)NCC[NH+](CC(C)C)CC(C)C)sc2ncnc(N3CC[NH+](C)CC3)c12	ZINC000033048307	556744321	/nfs/dbraw/zinc/74/43/21/556744321.db2.gz	QFWXTFWZENHPCJ-UHFFFAOYSA-N	2	0	446.665	3.095	50	0		IGAARP
O[C@@H](COc1ccc(-c2ccc(OC[C@@H](O)C[NH+]3CCCC3)cc2)cc1)C[NH+]1CCCC1	ZINC000013425555	568828065	/nfs/dbraw/zinc/82/80/65/568828065.db2.gz	VZXZHBUESVWXPP-PSWAGMNNSA-N	2	0	440.584	3.025	50	0		IGAARP
COc1cc(C[NH2+]CCc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000011937115	522455413	/nfs/dbraw/zinc/45/54/13/522455413.db2.gz	MXNXRLUQZBZGHH-QHCPKHFHSA-N	2	0	427.589	3.428	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CCCc3ccccc3)cc2)CC1	ZINC000012439480	522916175	/nfs/dbraw/zinc/91/61/75/522916175.db2.gz	HKULQWYCHCEKRX-DEOSSOPVSA-N	2	0	440.584	3.034	50	0		IGAARP
COc1ccc(C[NH2+]CCCc2scnc2C)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000012385853	524070425	/nfs/dbraw/zinc/07/04/25/524070425.db2.gz	YPSRHHUIWPSSOB-FQEVSTJZSA-N	2	0	433.618	3.408	50	0		IGAARP
COc1ccccc1C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1	ZINC000015077066	556499547	/nfs/dbraw/zinc/49/95/47/556499547.db2.gz	KRZFYQHSZYVJBB-NRFANRHFSA-N	2	0	446.613	3.124	50	0		IGAARP
O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCN(c2cc[nH+]cc2)C1	ZINC000033128861	556865776	/nfs/dbraw/zinc/86/57/76/556865776.db2.gz	UGASHKQEHBKGLL-HXUWFJFHSA-N	2	0	442.007	3.280	50	0		IGAARP
CCOC(=O)C1CC[NH+](Cc2cc3ccc(F)cc3n(CC[NH+]3CCCCC3)c2=O)CC1	ZINC000020271019	557004814	/nfs/dbraw/zinc/00/48/14/557004814.db2.gz	VIWKMAMZGGWNRZ-UHFFFAOYSA-N	2	0	443.563	3.402	50	0		IGAARP
CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3ccc(Cl)cc3)c2)CC1	ZINC000023358895	557087643	/nfs/dbraw/zinc/08/76/43/557087643.db2.gz	NZKQWHSRORVFGH-QHCPKHFHSA-N	2	0	432.008	3.050	50	0		IGAARP
C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC[NH2+]1	ZINC000253602919	568644149	/nfs/dbraw/zinc/64/41/49/568644149.db2.gz	GVWPKKPYEKPYCT-RBUKOAKNSA-N	2	0	435.547	3.197	50	0		IGAARP
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]Cc3ccc(OC)cc3)s2)CC1	ZINC000007002077	569117507	/nfs/dbraw/zinc/11/75/07/569117507.db2.gz	PJYPNEAKBGDEBB-UHFFFAOYSA-N	2	0	426.590	3.159	50	0		IGAARP
COc1cc(C[NH2+]CCCn2ncc3ccccc32)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000012477050	522451740	/nfs/dbraw/zinc/45/17/40/522451740.db2.gz	PBDZFFFJQGWKQD-JOCHJYFZSA-N	2	0	440.588	3.305	50	0		IGAARP
COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012434825	522456779	/nfs/dbraw/zinc/45/67/79/522456779.db2.gz	BIUCWEKYXJVDDO-HSZRJFAPSA-N	2	0	427.589	3.428	50	0		IGAARP
COc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	ZINC000020455122	524032381	/nfs/dbraw/zinc/03/23/81/524032381.db2.gz	YXIBZJVLDVYQAS-DEOSSOPVSA-N	2	0	445.648	3.371	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)c2cccnc2OC)C1	ZINC000012584851	524449797	/nfs/dbraw/zinc/44/97/97/524449797.db2.gz	MXCSFBNMBBUIAX-FQEVSTJZSA-N	2	0	440.588	3.015	50	0		IGAARP
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)C3	ZINC000011788125	556354642	/nfs/dbraw/zinc/35/46/42/556354642.db2.gz	LYNLJFZBKFMTTI-ZDUSSCGKSA-N	2	0	436.503	3.084	50	0		IGAARP
O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1	ZINC000014750976	556443392	/nfs/dbraw/zinc/44/33/92/556443392.db2.gz	CKQREUMLNFLSIW-RCZVLFRGSA-N	2	0	445.611	3.456	50	0		IGAARP
COc1cc(C[NH2+]CCCn2ccnc2C)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000023338119	557085168	/nfs/dbraw/zinc/08/51/68/557085168.db2.gz	GGQDMHINLMTDCD-HSZRJFAPSA-N	2	0	444.620	3.384	50	0		IGAARP
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCOCC5)C[C@@]43C)[C@@H]1C[C@H]([NH+]1CCCC1)[C@@H]2O	ZINC000084397763	557094505	/nfs/dbraw/zinc/09/45/05/557094505.db2.gz	YKHDYPFPUAWBIW-QJRNWJQSSA-N	2	0	446.676	3.136	50	0		IGAARP
C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1	ZINC000012314771	562981176	/nfs/dbraw/zinc/98/11/76/562981176.db2.gz	VBDXXWFJXUCULH-RUZDIDTESA-N	3	0	425.617	3.380	50	0		IGAARP
C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C3CCSCC3)CC2)c(Cl)c1	ZINC000015066380	568635200	/nfs/dbraw/zinc/63/52/00/568635200.db2.gz	ICPUMWMNHGBUKE-UHFFFAOYSA-N	2	0	426.026	3.370	50	0		IGAARP
COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C(F)(F)F)CC2)c1	ZINC000170614617	569146383	/nfs/dbraw/zinc/14/63/83/569146383.db2.gz	AJNNWLJFALCNSV-UXHICEINSA-N	2	0	448.489	3.049	50	0		IGAARP
CCCC[N@H+](C)CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](Cc1ccccc1)CC2	ZINC000021868410	520401752	/nfs/dbraw/zinc/40/17/52/520401752.db2.gz	KLKVHGBNXBZCTF-UHFFFAOYSA-N	2	0	427.589	3.133	50	0		IGAARP
COc1cc(C[NH2+]CCc2ccncc2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012434824	522456393	/nfs/dbraw/zinc/45/63/93/522456393.db2.gz	BIUCWEKYXJVDDO-QHCPKHFHSA-N	2	0	427.589	3.428	50	0		IGAARP
COC(=O)[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)C(C)C	ZINC000020542894	523603778	/nfs/dbraw/zinc/60/37/78/523603778.db2.gz	TZOLKNVAQLUHKE-DEOSSOPVSA-N	2	0	443.632	3.109	50	0		IGAARP
COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@@H](O)CN1CCC[N@H+](C)CC1	ZINC000020782532	524073581	/nfs/dbraw/zinc/07/35/81/524073581.db2.gz	HCWWFYHNUJPPNG-NRFANRHFSA-N	2	0	448.007	3.016	50	0		IGAARP
COCc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+](Cc3ccccc3F)C2)o1	ZINC000015066087	556492774	/nfs/dbraw/zinc/49/27/74/556492774.db2.gz	PBHFVFDKZZEEFC-IBGZPJMESA-N	2	0	431.552	3.481	50	0		IGAARP
CC[NH+]1CCC[C@H]1CNC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC)ccc1C	ZINC000011004701	557239419	/nfs/dbraw/zinc/23/94/19/557239419.db2.gz	GUAXYQVCTDOJIN-UXHICEINSA-N	2	0	430.597	3.207	50	0		IGAARP
COc1cc(C[N@H+](C)CCn2ccnc2C)ccc1OC[C@H](O)C[NH+](C)C1CCCCC1	ZINC000012316701	522353139	/nfs/dbraw/zinc/35/31/39/522353139.db2.gz	JMOXQVBYBXXLFG-HSZRJFAPSA-N	2	0	444.620	3.336	50	0		IGAARP
COc1cc(C[NH+]2CCC(CCO)CC2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000012749572	522369705	/nfs/dbraw/zinc/36/97/05/522369705.db2.gz	OXQLBDTVNAGBKM-HSZRJFAPSA-N	2	0	434.621	3.294	50	0		IGAARP
CC[C@H](C)C[NH+]1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(CCC[NH+](C)C)C2=O)CC1	ZINC000011997443	523881695	/nfs/dbraw/zinc/88/16/95/523881695.db2.gz	STADMWLPXZBUGI-DFBJGRDBSA-N	2	0	446.611	3.369	50	0		IGAARP
C[C@@H]1CCCC[N@@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000035422024	524106939	/nfs/dbraw/zinc/10/69/39/524106939.db2.gz	RRJZGEADWYVAHD-OAQYLSRUSA-N	2	0	442.648	3.123	50	0		IGAARP
CC[N@H+](CCn1cccn1)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1	ZINC000011843263	556366668	/nfs/dbraw/zinc/36/66/68/556366668.db2.gz	FGTAXCFRJSZZHL-QHCPKHFHSA-N	2	0	444.620	3.420	50	0		IGAARP
COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012050644	557525342	/nfs/dbraw/zinc/52/53/42/557525342.db2.gz	YSHOBFJJOJRYNS-QHCPKHFHSA-N	2	0	428.573	3.083	50	0		IGAARP
CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n(C)n1	ZINC000012713079	521349917	/nfs/dbraw/zinc/34/99/17/521349917.db2.gz	NBEVOWPYFDXGSA-HXUWFJFHSA-N	2	0	443.611	3.428	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@@H](CN(CC[NH+](C)C)C(=O)c2cc(C3CC3)on2)C1	ZINC000012582013	524448835	/nfs/dbraw/zinc/44/88/35/524448835.db2.gz	UDFIPXDFFNITTP-LJQANCHMSA-N	2	0	440.588	3.477	50	0		IGAARP
c1ccc(C[NH+]2CCOCCOCC[NH+](Cc3ccccc3)CCOCCOCC2)cc1	ZINC000006566565	556094889	/nfs/dbraw/zinc/09/48/89/556094889.db2.gz	WAHZGOBRKWVALN-UHFFFAOYSA-N	2	0	442.600	3.071	50	0		IGAARP
C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000014749984	556443274	/nfs/dbraw/zinc/44/32/74/556443274.db2.gz	WOWRHHJYOIPCQT-UHFFFAOYSA-N	2	0	448.611	3.480	50	0		IGAARP
COc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+](Cc3ccccc3OC)C2)o1	ZINC000014957724	556462784	/nfs/dbraw/zinc/46/27/84/556462784.db2.gz	QZNDLOALTZPYNT-LJQANCHMSA-N	2	0	429.561	3.213	50	0		IGAARP
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCCC[C@@H]1CO	ZINC000019300252	556735042	/nfs/dbraw/zinc/73/50/42/556735042.db2.gz	AWKKMTGRNQVUCK-RUZDIDTESA-N	2	0	427.633	3.169	50	0		IGAARP
O=S1(=O)CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2cc(F)ccc21	ZINC000095462867	569370212	/nfs/dbraw/zinc/37/02/12/569370212.db2.gz	DNRIPTFNYDJTGE-JOCHJYFZSA-N	2	0	432.561	3.351	50	0		IGAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1	ZINC000012711358	521654856	/nfs/dbraw/zinc/65/48/56/521654856.db2.gz	KPLXEHJPIYKXCK-FQEVSTJZSA-N	2	0	431.577	3.017	50	0		IGAARP
COc1ccc(C[NH2+]CCc2cccnc2)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1	ZINC000012318478	524070907	/nfs/dbraw/zinc/07/09/07/524070907.db2.gz	PPYWJZMNFRTPPM-QHCPKHFHSA-N	2	0	427.589	3.428	50	0		IGAARP
COc1ccc(C[NH2+]CCc2ccccn2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1	ZINC000012192845	524070963	/nfs/dbraw/zinc/07/09/63/524070963.db2.gz	FMOOTGIWEJFWIR-XMMPIXPASA-N	2	0	435.568	3.294	50	0		IGAARP
C[C@@H](CCn1cccn1)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	ZINC000012202135	524549483	/nfs/dbraw/zinc/54/94/83/524549483.db2.gz	NPANEJSZEWJDFZ-SFHVURJKSA-N	2	0	448.011	3.150	50	0		IGAARP
Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)C1CC1	ZINC000012593900	527627722	/nfs/dbraw/zinc/62/77/22/527627722.db2.gz	HVYHOCJGOTWXTH-HSZRJFAPSA-N	2	0	426.605	3.427	50	0		IGAARP
CC[N@H+](CCn1cccn1)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1	ZINC000011843262	556366680	/nfs/dbraw/zinc/36/66/80/556366680.db2.gz	FGTAXCFRJSZZHL-HSZRJFAPSA-N	2	0	444.620	3.420	50	0		IGAARP
C[NH+](C)CCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1	ZINC000014539619	556424979	/nfs/dbraw/zinc/42/49/79/556424979.db2.gz	PJXKPLAAEMJFNR-FCHUYYIVSA-N	2	0	427.564	3.411	50	0		IGAARP
CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCC[NH+]4CCCCCC4)c(C)c32)CC1	ZINC000033048426	556744994	/nfs/dbraw/zinc/74/49/94/556744994.db2.gz	LUXVCKGJJSKWOL-UHFFFAOYSA-N	2	0	444.649	3.138	50	0		IGAARP
Cc1ccccc1C[NH+]1CCC(CNC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)CC1	ZINC000033069181	556839952	/nfs/dbraw/zinc/83/99/52/556839952.db2.gz	FGMVLTRXPVTPCI-UHFFFAOYSA-N	2	0	437.588	3.058	50	0		IGAARP
COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000299781235	568757182	/nfs/dbraw/zinc/75/71/82/568757182.db2.gz	LBGJOOFKMPNQPT-QFIPXVFZSA-N	2	0	429.605	3.201	50	0		IGAARP
O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1	ZINC000065256199	569123192	/nfs/dbraw/zinc/12/31/92/569123192.db2.gz	MXPAIUSWVZCBHX-VWLOTQADSA-N	2	0	441.579	3.021	50	0		IGAARP
COc1cc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)C3CC[NH+](C)CC3)C2)cc(OC)c1OC	ZINC000012112307	522374923	/nfs/dbraw/zinc/37/49/23/522374923.db2.gz	VYNORNWFEXOOBM-IBGZPJMESA-N	2	0	447.620	3.257	50	0		IGAARP
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CCCc3ccccc3)cc2)CC1	ZINC000012439479	522914399	/nfs/dbraw/zinc/91/43/99/522914399.db2.gz	HKULQWYCHCEKRX-XMMPIXPASA-N	2	0	440.584	3.034	50	0		IGAARP
CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)Cc3ccccc3)c2)cn1	ZINC000012706736	523384359	/nfs/dbraw/zinc/38/43/59/523384359.db2.gz	VYTYIPLEBOHWLF-HSZRJFAPSA-N	2	0	438.572	3.073	50	0		IGAARP
Cc1ccccc1-c1ccc(C[NH+]2CCC(n3cc(C(=O)NCC[NH+](C)C)nn3)CC2)cc1	ZINC000012191702	525004480	/nfs/dbraw/zinc/00/44/80/525004480.db2.gz	RGKGSYFXCLJUFH-UHFFFAOYSA-N	2	0	446.599	3.382	50	0		IGAARP
O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000012279398	526993224	/nfs/dbraw/zinc/99/32/24/526993224.db2.gz	SRRODPDCOZNMTK-PKTZIBPZSA-N	2	0	425.548	3.450	50	0		IGAARP
CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c(OC)c1	ZINC000011814536	556357996	/nfs/dbraw/zinc/35/79/96/556357996.db2.gz	BZTBPGRTYGODNF-QHCPKHFHSA-N	2	0	444.620	3.455	50	0		IGAARP
O=c1occ(C[N@@H+]2CCc3ccccc3C2)c([O-])c1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000101412515	557284310	/nfs/dbraw/zinc/28/43/10/557284310.db2.gz	XCCJCKMXZCBKIW-UHFFFAOYSA-N	2	0	445.563	3.222	50	0		IGAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1	ZINC000014975718	557294402	/nfs/dbraw/zinc/29/44/02/557294402.db2.gz	BGLNCHCOIDMHPL-VWLOTQADSA-N	2	0	426.649	3.272	50	0		IGAARP
CC[NH+](CC)CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012437860	520572501	/nfs/dbraw/zinc/57/25/01/520572501.db2.gz	JDDRHZMHGKMDCJ-RUZDIDTESA-N	2	0	427.633	3.215	50	0		IGAARP
CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1	ZINC000012597591	521654959	/nfs/dbraw/zinc/65/49/59/521654959.db2.gz	FAESITWDVVZUIN-NRFANRHFSA-N	2	0	425.577	3.329	50	0		IGAARP
COc1cc(C[NH2+]CCc2ccccn2)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012429983	522457177	/nfs/dbraw/zinc/45/71/77/522457177.db2.gz	OUFLVMGZICPJJG-QHCPKHFHSA-N	2	0	427.589	3.428	50	0		IGAARP
COc1ccc(C[NH2+]Cc2ccccc2Cl)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1	ZINC000020782536	524073250	/nfs/dbraw/zinc/07/32/50/524073250.db2.gz	HCWWFYHNUJPPNG-OAQYLSRUSA-N	2	0	448.007	3.016	50	0		IGAARP
COc1ccccc1C[N@@H+]1CCC[C@H](CN(CC[NH+](C)C)C(=O)C(=O)c2ccccc2)C1	ZINC000012442922	524448145	/nfs/dbraw/zinc/44/81/45/524448145.db2.gz	UGPLNUPTUWSFIN-NRFANRHFSA-N	2	0	437.584	3.180	50	0		IGAARP
OCCOc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1	ZINC000012281032	527558904	/nfs/dbraw/zinc/55/89/04/527558904.db2.gz	NXNMOUBPTJCYBR-OAQYLSRUSA-N	2	0	442.629	3.415	50	0		IGAARP
COc1cc(C[NH2+]CCc2cscn2)ccc1OC[C@H](O)C[N@H+](C)C1CCCCC1	ZINC000014958321	556463163	/nfs/dbraw/zinc/46/31/63/556463163.db2.gz	CRPWSSWAVMRXGO-OAQYLSRUSA-N	2	0	433.618	3.488	50	0		IGAARP
CC[NH+]1CCN(C[C@H](O)COc2ccc(C[N@H+](C)Cc3ccc(C)cc3)cc2OC)CC1	ZINC000019606686	556831391	/nfs/dbraw/zinc/83/13/91/556831391.db2.gz	JKMCBIGVANZNDQ-DEOSSOPVSA-N	2	0	441.616	3.013	50	0		IGAARP
CC[NH+](CC)CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012437858	520570780	/nfs/dbraw/zinc/57/07/80/520570780.db2.gz	JDDRHZMHGKMDCJ-VWLOTQADSA-N	2	0	427.633	3.215	50	0		IGAARP
COCCOC1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1	ZINC000012438760	523975770	/nfs/dbraw/zinc/97/57/70/523975770.db2.gz	MFRIZSKELAVEGP-HSZRJFAPSA-N	2	0	434.621	3.318	50	0		IGAARP
CCc1ccc(C[N@H+](C)Cc2cc(OC)ccc2OC[C@@H](O)C[NH+]2CCC(O)CC2)cc1	ZINC000011705658	556347606	/nfs/dbraw/zinc/34/76/06/556347606.db2.gz	HTBNOURCSUTMEA-DEOSSOPVSA-N	2	0	442.600	3.086	50	0		IGAARP
COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000299781207	568757203	/nfs/dbraw/zinc/75/72/03/568757203.db2.gz	LBGJOOFKMPNQPT-JOCHJYFZSA-N	2	0	429.605	3.201	50	0		IGAARP
CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	ZINC000089967580	569169018	/nfs/dbraw/zinc/16/90/18/569169018.db2.gz	YACOUEJGEILHBV-XMMPIXPASA-N	2	0	442.648	3.300	50	0		IGAARP
COc1cc(C[NH+]2CCC(CCO)CC2)ccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1	ZINC000012749568	522370464	/nfs/dbraw/zinc/37/04/64/522370464.db2.gz	OXQLBDTVNAGBKM-QHCPKHFHSA-N	2	0	434.621	3.294	50	0		IGAARP
OCCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1	ZINC000012197471	527557853	/nfs/dbraw/zinc/55/78/53/527557853.db2.gz	BGYXIDSLXSUJKM-NRFANRHFSA-N	2	0	442.629	3.415	50	0		IGAARP
CCOC(=O)N1CCC([NH2+]Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000012004998	556386390	/nfs/dbraw/zinc/38/63/90/556386390.db2.gz	BSTRQNPDZSDPJZ-QFIPXVFZSA-N	2	0	433.593	3.013	50	0		IGAARP
CCOC(=O)N1CCC([NH2+]Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)CC1	ZINC000012005003	556386398	/nfs/dbraw/zinc/38/63/98/556386398.db2.gz	BSTRQNPDZSDPJZ-JOCHJYFZSA-N	2	0	433.593	3.013	50	0		IGAARP
Cc1cc(C)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(-n2cccn2)c1	ZINC000022918877	557046193	/nfs/dbraw/zinc/04/61/93/557046193.db2.gz	JSLUZIRDBYYKIH-DEOSSOPVSA-N	2	0	439.648	3.231	50	0		IGAARP