smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2cc(=O)c3c(ccc(O)c3C[NH+]3CCCCC3)o2)cc(OC)c1OC	ZINC000004387307	556417630	/nfs/dbraw/zinc/41/76/30/556417630.db2.gz	XVVPGXXDLAQUFB-UHFFFAOYSA-N	1	0	425.481	4.177	50	10		IICARO
COc1ccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@H]2C)cc1	ZINC000061997004	556766988	/nfs/dbraw/zinc/76/69/88/556766988.db2.gz	QCFMNECCTNFCRH-CZNRKLIOSA-N	1	0	436.596	4.440	50	10	biogenic	IICARO
CC[NH+](CC)CCC[NH2+][C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)[O-]	ZINC000101090863	557244581	/nfs/dbraw/zinc/24/45/81/557244581.db2.gz	UQAQOSKGRVRIAS-MJAPIOKUSA-N	1	0	425.533	4.205	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)cc1	ZINC000006576859	562947364	/nfs/dbraw/zinc/94/73/64/562947364.db2.gz	QMTLNFNTCKJVJE-LGPLSSKUSA-N	1	0	427.633	4.213	50	10		IICARO
CN1CCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3Cl)[NH+]3CCCC3)ccc21	ZINC000008963374	562966325	/nfs/dbraw/zinc/96/63/25/562966325.db2.gz	LXIWXWLXDNMSQV-NRFANRHFSA-N	1	0	448.394	4.318	50	10		IICARO
COc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1	ZINC000065298100	569132009	/nfs/dbraw/zinc/13/20/09/569132009.db2.gz	QYKKQVXOEFLKML-HXUWFJFHSA-N	1	0	444.373	4.109	50	10	biogenic	IICARO
CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12	ZINC000010214538	569579177	/nfs/dbraw/zinc/57/91/77/569579177.db2.gz	HPLYTEAPOQZMLB-LJQANCHMSA-N	1	0	427.932	4.410	50	10		IICARO
CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349248	522246808	/nfs/dbraw/zinc/24/68/08/522246808.db2.gz	MEGGCIOIZISROW-SANMLTNESA-N	1	0	429.564	4.047	50	10		IICARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1	ZINC000004791799	536696997	/nfs/dbraw/zinc/69/69/97/536696997.db2.gz	HSCNRNFNXFVRRE-UHFFFAOYSA-N	1	0	436.478	4.048	50	10		IICARO
CN1CCc2cc([C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[NH+]3CCCCC3)ccc21	ZINC000011613048	557208949	/nfs/dbraw/zinc/20/89/49/557208949.db2.gz	NSTONDIXAZDZHI-QFIPXVFZSA-N	1	0	442.947	4.198	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)cc1	ZINC000004301894	562943097	/nfs/dbraw/zinc/94/30/97/562943097.db2.gz	QMTLNFNTCKJVJE-ARMFNRFLSA-N	1	0	427.633	4.213	50	10		IICARO
CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838391	569162736	/nfs/dbraw/zinc/16/27/36/569162736.db2.gz	GIMOYGNTFCDNAL-VWLOTQADSA-N	1	0	448.611	4.084	50	10		IICARO
COc1ccc(Cl)cc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1	ZINC000016838210	569162814	/nfs/dbraw/zinc/16/28/14/569162814.db2.gz	TUZPWMPFLQSORD-JOCHJYFZSA-N	1	0	427.976	4.298	50	10		IICARO
COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2cccc(C)c2C)cc1Cn1cncn1	ZINC000011879689	556371740	/nfs/dbraw/zinc/37/17/40/556371740.db2.gz	CCQVJHHYTIKQTB-QHCPKHFHSA-N	1	0	442.567	4.305	50	10		IICARO
CC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)Cc1ccc(N2CCC(OC)CC2)cc1	ZINC000058440541	556789002	/nfs/dbraw/zinc/78/90/02/556789002.db2.gz	VGKOQFZMLMBBTR-LJQANCHMSA-N	1	0	427.564	4.140	50	10		IICARO
CC(C)[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Cl)ccc1O)N2	ZINC000002936531	562930794	/nfs/dbraw/zinc/93/07/94/562930794.db2.gz	OWSVNVZVWGZFTP-HXUWFJFHSA-N	1	0	441.959	4.499	50	10	biogenic	IICARO
CCc1cc(=O)oc2c(C)c([O-])c(C[N@H+](CCOC)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12	ZINC000524729741	568903874	/nfs/dbraw/zinc/90/38/74/568903874.db2.gz	HUCOICWDMNKTBK-NZQKXSOJSA-N	1	0	442.600	4.082	50	10	biogenic	IICARO
COc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1	ZINC000065298098	569132028	/nfs/dbraw/zinc/13/20/28/569132028.db2.gz	QYKKQVXOEFLKML-FQEVSTJZSA-N	1	0	444.373	4.109	50	10	biogenic	IICARO
CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12	ZINC000010214537	569579153	/nfs/dbraw/zinc/57/91/53/569579153.db2.gz	HPLYTEAPOQZMLB-IBGZPJMESA-N	1	0	427.932	4.410	50	10		IICARO
COc1cc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc(OC)c1	ZINC000035597174	522696034	/nfs/dbraw/zinc/69/60/34/522696034.db2.gz	AGRSDMHGTZFXJQ-DEOSSOPVSA-N	1	0	438.572	4.045	50	10		IICARO
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1	ZINC000009243797	562968425	/nfs/dbraw/zinc/96/84/25/562968425.db2.gz	FYROFDDOQGUHHL-RNXOBYDBSA-N	1	0	439.600	4.110	50	10		IICARO
COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298211	569132002	/nfs/dbraw/zinc/13/20/02/569132002.db2.gz	UEBPYVDQTFDJDQ-IBGZPJMESA-N	1	0	444.373	4.109	50	10	biogenic	IICARO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccc5c(c4)OCO5)ccc3n2)CC1	ZINC000020108662	569334492	/nfs/dbraw/zinc/33/44/92/569334492.db2.gz	JIMBJMCDCNAGRC-WEVVVXLNSA-N	1	0	444.535	4.066	50	10		IICARO
C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3O)=NN12	ZINC000010213984	569579064	/nfs/dbraw/zinc/57/90/64/569579064.db2.gz	VRRWGIXZYYGJBR-GOSISDBHSA-N	1	0	428.330	4.120	50	10		IICARO
C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3O)=NN12	ZINC000010213969	569579124	/nfs/dbraw/zinc/57/91/24/569579124.db2.gz	VRRWGIXZYYGJBR-SFHVURJKSA-N	1	0	428.330	4.120	50	10		IICARO
COc1cc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](C(C)C)CC2)ccc1O	ZINC000010214598	569579183	/nfs/dbraw/zinc/57/91/83/569579183.db2.gz	KHAHZXJQBFAQDO-FQEVSTJZSA-N	1	0	437.540	4.153	50	10		IICARO
COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349242	523706565	/nfs/dbraw/zinc/70/65/65/523706565.db2.gz	HDKLEJAJJFLNGJ-SANMLTNESA-N	1	0	429.564	4.291	50	10		IICARO
COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000035349264	524350034	/nfs/dbraw/zinc/35/00/34/524350034.db2.gz	FNINROSEHUYVGR-VWLOTQADSA-N	1	0	429.564	4.291	50	10		IICARO
COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c(OC)c1	ZINC000009137888	536749251	/nfs/dbraw/zinc/74/92/51/536749251.db2.gz	GEWKPLSWGWJUIO-XMMPIXPASA-N	1	0	437.584	4.043	50	10		IICARO
Oc1ccc(-c2cnccn2)cc1C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1	ZINC000012078623	556398297	/nfs/dbraw/zinc/39/82/97/556398297.db2.gz	LOGFTUSATXEZFQ-UHFFFAOYSA-N	1	0	429.442	4.352	50	10		IICARO
COc1cccc(O)c1C[N@@H+]1CCc2c(cc(Cc3ccccc3C)c(=O)n2CC2CC2)C1	ZINC000014531688	556420624	/nfs/dbraw/zinc/42/06/24/556420624.db2.gz	JJSKRQHIZUODQH-UHFFFAOYSA-N	1	0	444.575	4.430	50	10		IICARO
c1ccc2sc(N3CCC[C@H]([NH2+]C4CCN(c5ccc6c(c5)OCO6)CC4)C3)nc2c1	ZINC000015078738	556500230	/nfs/dbraw/zinc/50/02/30/556500230.db2.gz	LEWGBCZYHISRKZ-SFHVURJKSA-N	1	0	436.581	4.252	50	10		IICARO
CCCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729124	568903592	/nfs/dbraw/zinc/90/35/92/568903592.db2.gz	DVXFOPIDPZWHRF-NZQKXSOJSA-N	1	0	442.600	4.164	50	10	biogenic	IICARO
Cc1ccc(OCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000017042934	569171313	/nfs/dbraw/zinc/17/13/13/569171313.db2.gz	IARDOAUDWWCLIW-MHZLTWQESA-N	1	0	443.591	4.356	50	10		IICARO
COc1ccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@H]2C)cc1	ZINC000252694794	569210974	/nfs/dbraw/zinc/21/09/74/569210974.db2.gz	QCFMNECCTNFCRH-HOXSBREMSA-N	1	0	436.596	4.440	50	10	biogenic	IICARO
CCC[NH+]1CCN(c2cc(NCCCOCC)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000020857898	519859928	/nfs/dbraw/zinc/85/99/28/519859928.db2.gz	PRRLUIVFUNJXBQ-UHFFFAOYSA-N	1	0	448.567	4.410	50	10		IICARO
Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000020616323	526521892	/nfs/dbraw/zinc/52/18/92/526521892.db2.gz	CXSVYRKNBQOHEB-SFHVURJKSA-N	1	0	448.567	4.113	50	10		IICARO
CN1CCCc2cc([C@@H](CNC(=O)c3cc4ccccc4oc3=O)[NH+]3CCCCC3)ccc21	ZINC000009137697	536397736	/nfs/dbraw/zinc/39/77/36/536397736.db2.gz	FTLAQEARRVZMGR-XMMPIXPASA-N	1	0	445.563	4.132	50	10		IICARO
COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c(OC)c1	ZINC000009137892	536742341	/nfs/dbraw/zinc/74/23/41/536742341.db2.gz	GEWKPLSWGWJUIO-DEOSSOPVSA-N	1	0	437.584	4.043	50	10		IICARO
O=S(=O)(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683911	555819447	/nfs/dbraw/zinc/81/94/47/555819447.db2.gz	ANLISRYXQTUBAJ-UHFFFAOYSA-N	1	0	440.540	4.391	50	10		IICARO
O=C(c1ccccc1)N1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1	ZINC000012937064	568866070	/nfs/dbraw/zinc/86/60/70/568866070.db2.gz	LLHOJUQVLPIJAS-UHFFFAOYSA-N	1	0	425.326	4.266	50	10		IICARO
COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298213	569132041	/nfs/dbraw/zinc/13/20/41/569132041.db2.gz	UEBPYVDQTFDJDQ-LJQANCHMSA-N	1	0	444.373	4.109	50	10	biogenic	IICARO
CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	ZINC000010214544	569579194	/nfs/dbraw/zinc/57/91/94/569579194.db2.gz	QIXGUKNPPJHIPW-LJQANCHMSA-N	1	0	427.932	4.410	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1	ZINC000035827662	520922362	/nfs/dbraw/zinc/92/23/62/520922362.db2.gz	FYROFDDOQGUHHL-DMDYGQEQSA-N	1	0	439.600	4.110	50	10		IICARO
CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1OCC	ZINC000005098010	556634911	/nfs/dbraw/zinc/63/49/11/556634911.db2.gz	FJEIEWPHQBKEMH-QFIPXVFZSA-N	1	0	425.573	4.117	50	10		IICARO
CN(C)c1ccc([C@@H]2[NH2+]C[C@@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1	ZINC000058982942	556793647	/nfs/dbraw/zinc/79/36/47/556793647.db2.gz	XQBTUJHSMBRAFY-MAUKXSAKSA-N	1	0	431.562	4.266	50	10		IICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(OC(F)F)cc4)C3)CC2)cc1	ZINC000020327470	557007937	/nfs/dbraw/zinc/00/79/37/557007937.db2.gz	XKKARMBGZSJNEY-OAQYLSRUSA-N	1	0	431.527	4.083	50	10		IICARO
COc1ccc(N2CCN(C(=O)CC[N@H+](C)Cc3ccc4cc(OC)ccc4c3)CC2)cc1	ZINC000023073886	557061527	/nfs/dbraw/zinc/06/15/27/557061527.db2.gz	GQBYHEOQQFCVJP-UHFFFAOYSA-N	1	0	447.579	4.028	50	10		IICARO
CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Br)[NH+]3CCCC3)ccc21	ZINC000008963349	569491079	/nfs/dbraw/zinc/49/10/79/569491079.db2.gz	QPTPNCHMVMSLND-OAQYLSRUSA-N	1	0	428.374	4.008	50	10		IICARO
Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1-c1ccc(Br)cc1	ZINC000009086764	569500695	/nfs/dbraw/zinc/50/06/95/569500695.db2.gz	LBNLQSCGAZIQIH-IBGZPJMESA-N	1	0	435.329	4.303	50	10		IICARO
COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1OC	ZINC000009137404	132226791	/nfs/dbraw/zinc/22/67/91/132226791.db2.gz	LKEFXMKZFVYNLA-HSZRJFAPSA-N	1	0	437.584	4.043	50	10		IICARO
COc1ccc(CCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137453	132306363	/nfs/dbraw/zinc/30/63/63/132306363.db2.gz	KPDZAKRATYVKFN-AREMUKBSSA-N	1	0	435.612	4.354	50	10		IICARO
COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccc2F)cc1Cn1cccn1	ZINC000020601533	524086647	/nfs/dbraw/zinc/08/66/47/524086647.db2.gz	QKQVILYTDNXJBH-JOCHJYFZSA-N	1	0	431.515	4.432	50	10		IICARO
COc1cccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3cccc(OC)c3O)CC2)c1	ZINC000034683452	555818701	/nfs/dbraw/zinc/81/87/01/555818701.db2.gz	RVWLKBQVXJKJCK-UHFFFAOYSA-N	1	0	426.557	4.453	50	10		IICARO
Cc1oc2ccc(O)c(CN3CC[NH+](C)CC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000019794016	563022991	/nfs/dbraw/zinc/02/29/91/563022991.db2.gz	SBTCWIIEIIEGOT-UHFFFAOYSA-N	1	0	447.457	4.465	50	10		IICARO
COc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1OC	ZINC000035597225	568893359	/nfs/dbraw/zinc/89/33/59/568893359.db2.gz	SXYRNPNPVMKYAQ-JOCHJYFZSA-N	1	0	438.572	4.045	50	10		IICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)[NH+]3CCCC3)ccc21	ZINC000016838224	569162805	/nfs/dbraw/zinc/16/28/05/569162805.db2.gz	ITLMSURIFCNGNQ-QFIPXVFZSA-N	1	0	442.401	4.398	50	10		IICARO
CN1CCc2cc([C@H](CNC(=O)c3ccc(Br)cc3)[NH+]3CCCC3)ccc21	ZINC000008963330	569491034	/nfs/dbraw/zinc/49/10/34/569491034.db2.gz	ASDBARDWQZSWRB-NRFANRHFSA-N	1	0	428.374	4.008	50	10		IICARO
CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@H+](Cc3ccccc3O)CC2)n1	ZINC000035925679	521542471	/nfs/dbraw/zinc/54/24/71/521542471.db2.gz	BXLYZCGRZZGRRU-UHFFFAOYSA-N	1	0	442.567	4.186	50	10		IICARO
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)/C=C/c4ccc(OC)cc4)ccc3n2)CC1	ZINC000013671923	535743138	/nfs/dbraw/zinc/74/31/38/535743138.db2.gz	BYSCWUNLAIWJED-KPKJPENVSA-N	1	0	430.552	4.346	50	10	in-vivo	IICARO
COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c(O)c1	ZINC000011839892	556364306	/nfs/dbraw/zinc/36/43/06/556364306.db2.gz	XKDAIHMHLNGHRH-FQEVSTJZSA-N	1	0	448.485	4.338	50	10		IICARO
COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c(O)c1	ZINC000011839890	556364365	/nfs/dbraw/zinc/36/43/65/556364365.db2.gz	XKDAIHMHLNGHRH-HXUWFJFHSA-N	1	0	448.485	4.338	50	10		IICARO
COc1ccc(N2CCC[N@H+](CC(=O)N(C)C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000083843914	568783042	/nfs/dbraw/zinc/78/30/42/568783042.db2.gz	CXXYYMBKZKBOKD-UHFFFAOYSA-N	1	0	443.591	4.455	50	10		IICARO
COc1ccc(Nc2cc(N3CC[NH2+]CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	ZINC000002305765	132251629	/nfs/dbraw/zinc/25/16/29/132251629.db2.gz	FYOKBIUDOSIEKB-UHFFFAOYSA-N	1	0	426.476	4.201	50	10		IICARO
CC[NH+]1CCN(Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)CC1	ZINC000020566343	521690091	/nfs/dbraw/zinc/69/00/91/521690091.db2.gz	VRZILHFLMAUKTG-JJIBRWJFSA-N	1	0	427.552	4.042	50	10		IICARO
O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)nc1	ZINC000049421012	557107482	/nfs/dbraw/zinc/10/74/82/557107482.db2.gz	XWDMYFQZOWCCIP-HXUWFJFHSA-N	1	0	440.906	4.201	50	10		IICARO
O=c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(O)c(O)c2o1	ZINC000019370055	568989264	/nfs/dbraw/zinc/98/92/64/568989264.db2.gz	OAUHFVDXKZCKHD-UHFFFAOYSA-N	1	0	442.515	4.111	50	10	biogenic	IICARO
O=C(Nc1ccc(F)cc1)c1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3O)C2)nc1	ZINC000065257012	569123335	/nfs/dbraw/zinc/12/33/35/569123335.db2.gz	GHVUCPTTZVEEJU-HXUWFJFHSA-N	1	0	440.906	4.201	50	10		IICARO
CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CCCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730058	569125908	/nfs/dbraw/zinc/12/59/08/569125908.db2.gz	TYHDYQQWUXVKAV-NZQKXSOJSA-N	1	0	442.600	4.164	50	10	biogenic	IICARO
COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349241	523707672	/nfs/dbraw/zinc/70/76/72/523707672.db2.gz	HDKLEJAJJFLNGJ-AREMUKBSSA-N	1	0	429.564	4.291	50	10		IICARO
COc1ccc(C[NH2+][C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cn1cccn1	ZINC000012581662	524084855	/nfs/dbraw/zinc/08/48/55/524084855.db2.gz	CLMICEWLGAGSON-HXUWFJFHSA-N	1	0	433.581	4.308	50	10		IICARO
COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccc2F)cc1Cn1cccn1	ZINC000020601534	524091707	/nfs/dbraw/zinc/09/17/07/524091707.db2.gz	QKQVILYTDNXJBH-QFIPXVFZSA-N	1	0	431.515	4.432	50	10		IICARO
COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1OC	ZINC000035597227	524567317	/nfs/dbraw/zinc/56/73/17/524567317.db2.gz	AUOJSKGOSDZAPM-JOCHJYFZSA-N	1	0	438.572	4.045	50	10		IICARO
COc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1O	ZINC000020538327	525939061	/nfs/dbraw/zinc/93/90/61/525939061.db2.gz	GKGPZQKHJUQBNE-OAQYLSRUSA-N	1	0	449.517	4.206	50	10		IICARO
O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3O)CC2)nc1)c1ccc(F)cc1F	ZINC000034681914	555815690	/nfs/dbraw/zinc/81/56/90/555815690.db2.gz	YUVRXXMSMFMEPA-UHFFFAOYSA-N	1	0	438.478	4.030	50	10		IICARO
CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1	ZINC000016838388	569162812	/nfs/dbraw/zinc/16/28/12/569162812.db2.gz	GIMOYGNTFCDNAL-RUZDIDTESA-N	1	0	448.611	4.084	50	10		IICARO
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1	ZINC000089921961	569167785	/nfs/dbraw/zinc/16/77/85/569167785.db2.gz	VAOZHFOARDPBBC-LPTQZCDUSA-N	1	0	441.959	4.035	50	10		IICARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(OC)c2O)N3)C1	ZINC000008928032	569487390	/nfs/dbraw/zinc/48/73/90/569487390.db2.gz	FJLBHLCQHAHPEW-INIZCTEOSA-N	1	0	438.347	4.032	50	10		IICARO
C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214216	569579082	/nfs/dbraw/zinc/57/90/82/569579082.db2.gz	MRMUVQJMZHDEMM-LJQANCHMSA-N	1	0	428.330	4.120	50	10		IICARO
COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)c2c1	ZINC000013099085	132344559	/nfs/dbraw/zinc/34/45/59/132344559.db2.gz	GOFJFKHHSPFQNI-UHFFFAOYSA-N	1	0	427.888	4.438	50	10		IICARO
CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349247	522241355	/nfs/dbraw/zinc/24/13/55/522241355.db2.gz	MEGGCIOIZISROW-AREMUKBSSA-N	1	0	429.564	4.047	50	10		IICARO
CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)cc1	ZINC000011786628	556353473	/nfs/dbraw/zinc/35/34/73/556353473.db2.gz	VISLHQDOIJQNOT-NPJCXYKHSA-N	1	0	433.596	4.209	50	10		IICARO
CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1	ZINC000058537494	556790038	/nfs/dbraw/zinc/79/00/38/556790038.db2.gz	QSMGDFRLTDXJIQ-UHFFFAOYSA-N	1	0	425.525	4.261	50	10		IICARO
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)C[NH+]2CCCCC2)c2ccccc12	ZINC000101305079	557271498	/nfs/dbraw/zinc/27/14/98/557271498.db2.gz	WAJAAXUKXQAYFT-DZQSVEARSA-N	1	0	442.563	4.294	50	10		IICARO
CN1CCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3Cl)[NH+]3CCCC3)ccc21	ZINC000008963373	562966330	/nfs/dbraw/zinc/96/63/30/562966330.db2.gz	LXIWXWLXDNMSQV-OAQYLSRUSA-N	1	0	448.394	4.318	50	10		IICARO
CCn1cc(C[NH+]2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)c2cc(OC)ccc21	ZINC000064669640	568943475	/nfs/dbraw/zinc/94/34/75/568943475.db2.gz	WRQOSGRJKQOYMS-UHFFFAOYSA-N	1	0	448.611	4.264	50	10		IICARO
CN1CCc2cc([C@@H](CNC(=O)c3cccc(Br)c3)[NH+]3CCCCC3)ccc21	ZINC000013007757	569306445	/nfs/dbraw/zinc/30/64/45/569306445.db2.gz	JYGNJJALEWHINN-JOCHJYFZSA-N	1	0	442.401	4.398	50	10		IICARO
COc1cc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](C(C)C)CC2)ccc1O	ZINC000010214600	569579145	/nfs/dbraw/zinc/57/91/45/569579145.db2.gz	KHAHZXJQBFAQDO-HXUWFJFHSA-N	1	0	437.540	4.153	50	10		IICARO
CN1CCCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)[NH+]3CCCCC3)ccc21	ZINC000009137377	132306390	/nfs/dbraw/zinc/30/63/90/132306390.db2.gz	MHAJJVVCACWGRK-XMMPIXPASA-N	1	0	442.003	4.445	50	10		IICARO
COc1ccc(CCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137458	536828519	/nfs/dbraw/zinc/82/85/19/536828519.db2.gz	KPDZAKRATYVKFN-SANMLTNESA-N	1	0	435.612	4.354	50	10		IICARO
CN(C)c1ccc([C@@H]2[NH2+]C[C@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1	ZINC000058982949	556793692	/nfs/dbraw/zinc/79/36/92/556793692.db2.gz	XQBTUJHSMBRAFY-CRAIPNDOSA-N	1	0	431.562	4.266	50	10		IICARO
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)[NH+](C)C	ZINC000008963049	569491066	/nfs/dbraw/zinc/49/10/66/569491066.db2.gz	SNAJZQQOHZXOIA-NRFANRHFSA-N	1	0	438.959	4.328	50	10		IICARO
CN1CCc2cc([C@@H](CNC(=O)c3cccc(Br)c3)[NH+]3CCCC3)ccc21	ZINC000008963325	569491095	/nfs/dbraw/zinc/49/10/95/569491095.db2.gz	GBTOURMXOCOPRY-OAQYLSRUSA-N	1	0	428.374	4.008	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1	ZINC000035827664	520922329	/nfs/dbraw/zinc/92/23/29/520922329.db2.gz	FYROFDDOQGUHHL-ARMFNRFLSA-N	1	0	439.600	4.110	50	10		IICARO
CN(C)c1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4ccccc4F)cn3)CC2)cc1	ZINC000034681719	555814998	/nfs/dbraw/zinc/81/49/98/555814998.db2.gz	LPSKYSZWJZBXHZ-UHFFFAOYSA-N	1	0	447.558	4.251	50	10		IICARO
Cc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccc(N(C)C)cc4)CC3)nc2)c1	ZINC000034681860	555815620	/nfs/dbraw/zinc/81/56/20/555815620.db2.gz	XRISWIFPFMOHRA-UHFFFAOYSA-N	1	0	443.595	4.421	50	10		IICARO
COc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1OC	ZINC000034682857	555817551	/nfs/dbraw/zinc/81/75/51/555817551.db2.gz	NJMXEFZJVGUFLG-UHFFFAOYSA-N	1	0	439.600	4.423	50	10		IICARO
COc1ccc([C@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCN(C)CC2)cc1	ZINC000022936638	557053065	/nfs/dbraw/zinc/05/30/65/557053065.db2.gz	BVVQKWQUXFVHKM-RUZDIDTESA-N	1	0	444.531	4.306	50	10		IICARO
COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)c2c1	ZINC000014317428	569158474	/nfs/dbraw/zinc/15/84/74/569158474.db2.gz	QVPSYFRXTQYNNK-UHFFFAOYSA-N	1	0	433.504	4.420	50	10		IICARO
CN(C)c1ccc([C@H](CNC(=O)COc2ccccc2F)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035560566	522247708	/nfs/dbraw/zinc/24/77/08/522247708.db2.gz	LAYSGXTXICASGS-VWLOTQADSA-N	1	0	447.554	4.186	50	10		IICARO
Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000020616321	526521496	/nfs/dbraw/zinc/52/14/96/526521496.db2.gz	CXSVYRKNBQOHEB-GOSISDBHSA-N	1	0	448.567	4.113	50	10		IICARO
CN1CCCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)[NH+]3CCCCC3)ccc21	ZINC000009137382	536397616	/nfs/dbraw/zinc/39/76/16/536397616.db2.gz	MHAJJVVCACWGRK-DEOSSOPVSA-N	1	0	442.003	4.445	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1	ZINC000016009687	556573700	/nfs/dbraw/zinc/57/37/00/556573700.db2.gz	FYROFDDOQGUHHL-LGPLSSKUSA-N	1	0	439.600	4.110	50	10		IICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1	ZINC000023374934	568614074	/nfs/dbraw/zinc/61/40/74/568614074.db2.gz	DSLMRCXEXGHJEU-NRFANRHFSA-N	1	0	449.517	4.206	50	10		IICARO
COc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000016914162	569166002	/nfs/dbraw/zinc/16/60/02/569166002.db2.gz	IZURPXBFTJJFPZ-MHZLTWQESA-N	1	0	443.591	4.220	50	10		IICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022734848	523918250	/nfs/dbraw/zinc/91/82/50/523918250.db2.gz	XXDFXQKXBVZIFB-SANMLTNESA-N	1	0	448.655	4.085	50	10		IICARO
COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1OC	ZINC000035597178	524566696	/nfs/dbraw/zinc/56/66/96/524566696.db2.gz	PAXITMLQLJPTLR-QFIPXVFZSA-N	1	0	438.572	4.045	50	10		IICARO
COc1cccc(C=c2sc3[s+]cc(CC(=O)Nc4ccccc4C)n3c2=O)c1O	ZINC000033596498	525765627	/nfs/dbraw/zinc/76/56/27/525765627.db2.gz	YHYCMWQPKRCMKK-UHFFFAOYSA-O	1	0	439.538	4.026	50	10		IICARO
COc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)c1OC	ZINC000035597226	526191710	/nfs/dbraw/zinc/19/17/10/526191710.db2.gz	SXYRNPNPVMKYAQ-QFIPXVFZSA-N	1	0	438.572	4.045	50	10		IICARO
COc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3cccc(OC)c3O)CC2)cc1	ZINC000034683216	555818494	/nfs/dbraw/zinc/81/84/94/555818494.db2.gz	KRUWMTOAYQOSOL-UHFFFAOYSA-N	1	0	426.557	4.453	50	10		IICARO
COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c(O)c1	ZINC000014973929	556467763	/nfs/dbraw/zinc/46/77/63/556467763.db2.gz	GIDWWQBYSFETFF-UHFFFAOYSA-N	1	0	448.567	4.396	50	10		IICARO
COCc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2ncccc12	ZINC000020439842	563024878	/nfs/dbraw/zinc/02/48/78/563024878.db2.gz	BFGOXHNTJJACFU-UHFFFAOYSA-N	1	0	431.458	4.428	50	10		IICARO
CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1OCC	ZINC000005098012	568802144	/nfs/dbraw/zinc/80/21/44/568802144.db2.gz	FJEIEWPHQBKEMH-JOCHJYFZSA-N	1	0	425.573	4.117	50	10		IICARO
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1	ZINC000089921966	569167731	/nfs/dbraw/zinc/16/77/31/569167731.db2.gz	VAOZHFOARDPBBC-IPHXSNPTSA-N	1	0	441.959	4.035	50	10		IICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N3CC[NH+](C)CC3)ccc21	ZINC000022734851	523921822	/nfs/dbraw/zinc/92/18/22/523921822.db2.gz	XXDFXQKXBVZIFB-AREMUKBSSA-N	1	0	448.655	4.085	50	10		IICARO
COc1ccc(O)c(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)c1	ZINC000012463453	524737914	/nfs/dbraw/zinc/73/79/14/524737914.db2.gz	DJOWZEUULNRNOH-UHFFFAOYSA-N	1	0	440.931	4.340	50	10		IICARO
COc1ccc(N2CC[N@H+](C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@@H]2C)cc1	ZINC000061997005	556767047	/nfs/dbraw/zinc/76/70/47/556767047.db2.gz	QCFMNECCTNFCRH-JZBYRABOSA-N	1	0	436.596	4.440	50	10	biogenic	IICARO
COc1ccc2[nH]cc(/C=C3/C(=O)Nc4ccc(NC(=O)CC[NH+]5CCCCC5)cc43)c2c1	ZINC000000838770	557339703	/nfs/dbraw/zinc/33/97/03/557339703.db2.gz	INQUULPXCZAKMS-LPYMAVHISA-N	1	0	444.535	4.484	50	10		IICARO
COCC[N@@H+](Cc1c(C)cc2oc(=O)c(C)c(C)c2c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729147	568903629	/nfs/dbraw/zinc/90/36/29/568903629.db2.gz	FZNBYZGQXNKAJR-RBBKRZOGSA-N	1	0	442.600	4.137	50	10	biogenic	IICARO
Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)[NH+](C)C	ZINC000008963050	569491043	/nfs/dbraw/zinc/49/10/43/569491043.db2.gz	SNAJZQQOHZXOIA-OAQYLSRUSA-N	1	0	438.959	4.328	50	10		IICARO
CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)c(OC)c3)=NN12	ZINC000010214246	569579074	/nfs/dbraw/zinc/57/90/74/569579074.db2.gz	PJBUCHFCRLAKOC-IBGZPJMESA-N	1	0	427.932	4.410	50	10		IICARO
COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2	ZINC000012034365	556389179	/nfs/dbraw/zinc/38/91/79/556389179.db2.gz	NHWYVNJPDRNWBR-VWLOTQADSA-N	1	0	447.623	4.256	50	10		IICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(OC(F)F)cc4)C3)CC2)cc1	ZINC000020327475	557008140	/nfs/dbraw/zinc/00/81/40/557008140.db2.gz	XKKARMBGZSJNEY-NRFANRHFSA-N	1	0	431.527	4.083	50	10		IICARO
COc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000016914158	569166122	/nfs/dbraw/zinc/16/61/22/569166122.db2.gz	IZURPXBFTJJFPZ-HHHXNRCGSA-N	1	0	443.591	4.220	50	10		IICARO
COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1OC	ZINC000009137409	132226782	/nfs/dbraw/zinc/22/67/82/132226782.db2.gz	LKEFXMKZFVYNLA-QHCPKHFHSA-N	1	0	437.584	4.043	50	10		IICARO
CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cccc(OCC)c2O)CC1	ZINC000012593664	520465290	/nfs/dbraw/zinc/46/52/90/520465290.db2.gz	SESCWBOJVLPNPJ-UHFFFAOYSA-N	1	0	427.541	4.188	50	10		IICARO
COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccc(OC)cc4)CC3)cc2)cc1	ZINC000012558074	524633651	/nfs/dbraw/zinc/63/36/51/524633651.db2.gz	AMCXGIFRHIANTJ-UHFFFAOYSA-N	1	0	431.536	4.278	50	10		IICARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)c1	ZINC000014996607	556478002	/nfs/dbraw/zinc/47/80/02/556478002.db2.gz	SYPIFEJOCFXHAH-NRFANRHFSA-N	1	0	437.584	4.464	50	10		IICARO
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1	ZINC000252517915	556690986	/nfs/dbraw/zinc/69/09/86/556690986.db2.gz	VAOZHFOARDPBBC-GQWLDOHISA-N	1	0	441.959	4.035	50	10		IICARO
CN(C)c1ccc([C@H]2[NH2+]C[C@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1	ZINC000058982946	556793678	/nfs/dbraw/zinc/79/36/78/556793678.db2.gz	XQBTUJHSMBRAFY-QAPCUYQASA-N	1	0	431.562	4.266	50	10		IICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Cl)ccc1O)N2	ZINC000065298035	569131821	/nfs/dbraw/zinc/13/18/21/569131821.db2.gz	VHRZBYICHQVXJH-IBGZPJMESA-N	1	0	427.932	4.110	50	10	biogenic	IICARO
O=C(c1ccsc1)c1coc2ccc([O-])c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12	ZINC000225427571	569300017	/nfs/dbraw/zinc/30/00/17/569300017.db2.gz	ZRTTYZNDJPHTRS-WBVHZDCISA-N	1	0	446.528	4.212	50	10		IICARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(OC)c2O)N3)C1	ZINC000008928034	569487377	/nfs/dbraw/zinc/48/73/77/569487377.db2.gz	FJLBHLCQHAHPEW-MRXNPFEDSA-N	1	0	438.347	4.032	50	10		IICARO
CC[N@H+](CCO)CCNc1cc(N2CCC[C@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000009641212	132324232	/nfs/dbraw/zinc/32/42/32/132324232.db2.gz	SZMZKEKREKRMBX-KRWDZBQOSA-N	1	0	448.567	4.002	50	10		IICARO
COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1	ZINC000012459707	524048186	/nfs/dbraw/zinc/04/81/86/524048186.db2.gz	AOPSPADCEICVIV-KRWDZBQOSA-N	1	0	446.975	4.371	50	10		IICARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccccc4OC(F)F)C3)CC2)cc1	ZINC000020363753	557011951	/nfs/dbraw/zinc/01/19/51/557011951.db2.gz	GJKZIFVJLLCSGX-OAQYLSRUSA-N	1	0	431.527	4.083	50	10		IICARO
Cc1oc2ccc(O)c(CN3CC[NH+](C)CC3)c2c1C(=O)Nc1cccc(Cl)c1C	ZINC000019794022	563023002	/nfs/dbraw/zinc/02/30/02/563023002.db2.gz	XDQRGNXJRAWSSL-UHFFFAOYSA-N	1	0	427.932	4.408	50	10		IICARO
Cc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1	ZINC000065298086	569131901	/nfs/dbraw/zinc/13/19/01/569131901.db2.gz	IEYMMXJTHXCUSN-HXUWFJFHSA-N	1	0	428.374	4.409	50	10	biogenic	IICARO
Cc1ccc(OCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000017042929	569171333	/nfs/dbraw/zinc/17/13/33/569171333.db2.gz	IARDOAUDWWCLIW-HHHXNRCGSA-N	1	0	443.591	4.356	50	10		IICARO
COc1ccc(C[NH2+][C@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cn1cccn1	ZINC000012581670	524092451	/nfs/dbraw/zinc/09/24/51/524092451.db2.gz	CLMICEWLGAGSON-FQEVSTJZSA-N	1	0	433.581	4.308	50	10		IICARO
COc1cccc(O)c1C[NH+]1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1	ZINC000012306778	526213339	/nfs/dbraw/zinc/21/33/39/526213339.db2.gz	NXMYXAJGGWJESB-UHFFFAOYSA-N	1	0	433.508	4.439	50	10		IICARO
CN1CCCc2cc([C@H](CNC(=O)c3cc4ccccc4oc3=O)[NH+]3CCCCC3)ccc21	ZINC000009137701	536397444	/nfs/dbraw/zinc/39/74/44/536397444.db2.gz	FTLAQEARRVZMGR-DEOSSOPVSA-N	1	0	445.563	4.132	50	10		IICARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)c1	ZINC000014996604	556477952	/nfs/dbraw/zinc/47/79/52/556477952.db2.gz	SYPIFEJOCFXHAH-OAQYLSRUSA-N	1	0	437.584	4.464	50	10		IICARO
CN(C)c1ccc([C@H]2[NH2+]C[C@@H](CSc3nnc(Nc4ccccc4F)s3)O2)cc1	ZINC000058982938	556793806	/nfs/dbraw/zinc/79/38/06/556793806.db2.gz	XQBTUJHSMBRAFY-YJBOKZPZSA-N	1	0	431.562	4.266	50	10		IICARO
CC(C)[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@@H](c1cc(Cl)ccc1O)N2	ZINC000002936532	562930790	/nfs/dbraw/zinc/93/07/90/562930790.db2.gz	OWSVNVZVWGZFTP-FQEVSTJZSA-N	1	0	441.959	4.499	50	10	biogenic	IICARO
CCN(CC)c1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1	ZINC000009849462	569571331	/nfs/dbraw/zinc/57/13/31/569571331.db2.gz	HUGBRMNFSRJEPT-UHFFFAOYSA-N	1	0	448.655	4.089	50	10		IICARO
CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	ZINC000010214546	569579133	/nfs/dbraw/zinc/57/91/33/569579133.db2.gz	QIXGUKNPPJHIPW-IBGZPJMESA-N	1	0	427.932	4.410	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccco2)cc1	ZINC000002439843	556099517	/nfs/dbraw/zinc/09/95/17/556099517.db2.gz	FYROFDDOQGUHHL-SKBVVQJISA-N	1	0	439.600	4.110	50	10		IICARO
CN(C)c1ccc(/C=C/C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)cc1	ZINC000011786629	556353561	/nfs/dbraw/zinc/35/35/61/556353561.db2.gz	VISLHQDOIJQNOT-ZHBSTKLQSA-N	1	0	433.596	4.209	50	10		IICARO
COc1ccc(N2CC[NH+](CCC(=O)N[C@@H](c3cccs3)c3ccccc3)CC2)cc1	ZINC000032870740	556457918	/nfs/dbraw/zinc/45/79/18/556457918.db2.gz	GGSNBPDYEGCTGU-RUZDIDTESA-N	1	0	435.593	4.175	50	10		IICARO
O=C(Nc1ccc(F)cc1)c1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)nc1	ZINC000065257011	569123361	/nfs/dbraw/zinc/12/33/61/569123361.db2.gz	GHVUCPTTZVEEJU-FQEVSTJZSA-N	1	0	440.906	4.201	50	10		IICARO
C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214215	569579087	/nfs/dbraw/zinc/57/90/87/569579087.db2.gz	MRMUVQJMZHDEMM-IBGZPJMESA-N	1	0	428.330	4.120	50	10		IICARO
COc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1OC	ZINC000035597176	526191638	/nfs/dbraw/zinc/19/16/38/526191638.db2.gz	QRADRYTYPAWHDN-QFIPXVFZSA-N	1	0	438.572	4.045	50	10		IICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(Br)o3)[NH+]3CCCCC3)ccc21	ZINC000009137748	536397645	/nfs/dbraw/zinc/39/76/45/536397645.db2.gz	JPIGETMOTYWLAR-IBGZPJMESA-N	1	0	446.389	4.382	50	10		IICARO
COc1cccc(OC)c1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137471	537131742	/nfs/dbraw/zinc/13/17/42/537131742.db2.gz	WXSJZBALBWQGGV-JOCHJYFZSA-N	1	0	437.584	4.043	50	10		IICARO
C[NH+](C)CCCNc1cc(NCc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O	ZINC000009410113	569531251	/nfs/dbraw/zinc/53/12/51/569531251.db2.gz	SVVPKEYYBXROGB-UHFFFAOYSA-N	1	0	428.536	4.020	50	10		IICARO
CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2F)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035560563	522242521	/nfs/dbraw/zinc/24/25/21/522242521.db2.gz	LAYSGXTXICASGS-RUZDIDTESA-N	1	0	447.554	4.186	50	10		IICARO
COc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1O	ZINC000020538330	525938932	/nfs/dbraw/zinc/93/89/32/525938932.db2.gz	GKGPZQKHJUQBNE-NRFANRHFSA-N	1	0	449.517	4.206	50	10		IICARO
COc1cccc(OC)c1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137477	537131101	/nfs/dbraw/zinc/13/11/01/537131101.db2.gz	WXSJZBALBWQGGV-QFIPXVFZSA-N	1	0	437.584	4.043	50	10		IICARO
CC1(C)CC(NC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)CC(C)(C)[NH2+]1	ZINC000019944165	556954281	/nfs/dbraw/zinc/95/42/81/556954281.db2.gz	WQEQRIVUPXKHSV-PGMHBOJBSA-N	1	0	447.539	4.128	50	10		IICARO
O=C(Nc1cccc(F)c1)c1ccc(N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3O)C2)nc1	ZINC000049421011	557107532	/nfs/dbraw/zinc/10/75/32/557107532.db2.gz	XWDMYFQZOWCCIP-FQEVSTJZSA-N	1	0	440.906	4.201	50	10		IICARO
CC[NH+](CC)CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000100191005	557246696	/nfs/dbraw/zinc/24/66/96/557246696.db2.gz	NHOZSQILWMKKKX-HTXNQAPBSA-N	1	0	433.581	4.253	50	10		IICARO
Cc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1	ZINC000065298084	569131826	/nfs/dbraw/zinc/13/18/26/569131826.db2.gz	IEYMMXJTHXCUSN-FQEVSTJZSA-N	1	0	428.374	4.409	50	10	biogenic	IICARO
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000016914131	569165899	/nfs/dbraw/zinc/16/58/99/569165899.db2.gz	FTCFXIJHWYZGIV-AREMUKBSSA-N	1	0	431.555	4.350	50	10		IICARO
Cc1ccccc1OCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000017136049	569174527	/nfs/dbraw/zinc/17/45/27/569174527.db2.gz	IZWMJCNNOZTCDP-AREMUKBSSA-N	1	0	443.591	4.356	50	10		IICARO
COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)cc1Cn1cncn1	ZINC000011879688	556371713	/nfs/dbraw/zinc/37/17/13/556371713.db2.gz	CCQVJHHYTIKQTB-HSZRJFAPSA-N	1	0	442.567	4.305	50	10		IICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)c1	ZINC000023374933	568614051	/nfs/dbraw/zinc/61/40/51/568614051.db2.gz	DSLMRCXEXGHJEU-OAQYLSRUSA-N	1	0	449.517	4.206	50	10		IICARO
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000016914136	569165870	/nfs/dbraw/zinc/16/58/70/569165870.db2.gz	FTCFXIJHWYZGIV-SANMLTNESA-N	1	0	431.555	4.350	50	10		IICARO
Cc1ccccc1OCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000017136050	569174474	/nfs/dbraw/zinc/17/44/74/569174474.db2.gz	IZWMJCNNOZTCDP-SANMLTNESA-N	1	0	443.591	4.356	50	10		IICARO
CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1O	ZINC000020448804	521336566	/nfs/dbraw/zinc/33/65/66/521336566.db2.gz	JDFXORKCCZHUNF-JOCHJYFZSA-N	1	0	429.992	4.231	50	10		IICARO
COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000035349263	524352752	/nfs/dbraw/zinc/35/27/52/524352752.db2.gz	FNINROSEHUYVGR-RUZDIDTESA-N	1	0	429.564	4.291	50	10		IICARO
COc1ccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1OC	ZINC000035597228	524566977	/nfs/dbraw/zinc/56/69/77/524566977.db2.gz	AUOJSKGOSDZAPM-QFIPXVFZSA-N	1	0	438.572	4.045	50	10		IICARO
COc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1OC	ZINC000035597175	526191234	/nfs/dbraw/zinc/19/12/34/526191234.db2.gz	QRADRYTYPAWHDN-JOCHJYFZSA-N	1	0	438.572	4.045	50	10		IICARO
COc1ccc(N2CC[NH+](CCC(=O)N[C@H](c3cccs3)c3ccccc3)CC2)cc1	ZINC000032870738	556457295	/nfs/dbraw/zinc/45/72/95/556457295.db2.gz	GGSNBPDYEGCTGU-VWLOTQADSA-N	1	0	435.593	4.175	50	10		IICARO
COc1ccc(-c2nc(CN3CC[NH+](Cc4c(O)ccc5ccncc54)CC3)cs2)cc1	ZINC000023612919	557101113	/nfs/dbraw/zinc/10/11/13/557101113.db2.gz	NOVQBBHCPOIEPQ-UHFFFAOYSA-N	1	0	446.576	4.390	50	10		IICARO
CN1CCc2cc([C@H](CNC(=O)c3cccc(Br)c3)[NH+]3CCCC3)ccc21	ZINC000008963326	569491070	/nfs/dbraw/zinc/49/10/70/569491070.db2.gz	GBTOURMXOCOPRY-NRFANRHFSA-N	1	0	428.374	4.008	50	10		IICARO
Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1-c1ccc(Br)cc1	ZINC000009086763	569500668	/nfs/dbraw/zinc/50/06/68/569500668.db2.gz	LBNLQSCGAZIQIH-LJQANCHMSA-N	1	0	435.329	4.303	50	10		IICARO
COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)c1	ZINC000035349265	525822032	/nfs/dbraw/zinc/82/20/32/525822032.db2.gz	FMHAEGAWAKEKOL-AREMUKBSSA-N	1	0	429.564	4.291	50	10		IICARO
COCCC[N@@H+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729754	568903950	/nfs/dbraw/zinc/90/39/50/568903950.db2.gz	IIQYOXGMHYEWRT-NZQKXSOJSA-N	1	0	442.600	4.218	50	10	biogenic	IICARO
COc1cc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc(OC)c1	ZINC000035597173	522696660	/nfs/dbraw/zinc/69/66/60/522696660.db2.gz	AGRSDMHGTZFXJQ-XMMPIXPASA-N	1	0	438.572	4.045	50	10		IICARO
c1ccc2sc(N3CCC[C@@H]([NH2+]C4CCN(c5ccc6c(c5)OCO6)CC4)C3)nc2c1	ZINC000015078736	526521519	/nfs/dbraw/zinc/52/15/19/526521519.db2.gz	LEWGBCZYHISRKZ-GOSISDBHSA-N	1	0	436.581	4.252	50	10		IICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)o3)[NH+]3CCCCC3)ccc21	ZINC000009137743	536397536	/nfs/dbraw/zinc/39/75/36/536397536.db2.gz	JPIGETMOTYWLAR-LJQANCHMSA-N	1	0	446.389	4.382	50	10		IICARO
COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(N3CCCC3)cc1)CC2	ZINC000012034368	556389245	/nfs/dbraw/zinc/38/92/45/556389245.db2.gz	NHWYVNJPDRNWBR-RUZDIDTESA-N	1	0	447.623	4.256	50	10		IICARO
COc1ccc([C@@H](c2ccc3c(ccc4c(C)cc(=O)oc43)c2O)[NH+]2CCN(C)CC2)cc1	ZINC000022936641	557053026	/nfs/dbraw/zinc/05/30/26/557053026.db2.gz	BVVQKWQUXFVHKM-VWLOTQADSA-N	1	0	444.531	4.306	50	10		IICARO
CN1CCc2cc([C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)[NH+]3CCCCC3)ccc21	ZINC000011613047	557208903	/nfs/dbraw/zinc/20/89/03/557208903.db2.gz	NSTONDIXAZDZHI-JOCHJYFZSA-N	1	0	442.947	4.198	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)cc1	ZINC000004301893	562943067	/nfs/dbraw/zinc/94/30/67/562943067.db2.gz	QMTLNFNTCKJVJE-DMDYGQEQSA-N	1	0	427.633	4.213	50	10		IICARO
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)N2CCCCC2)cc1	ZINC000006576857	562947307	/nfs/dbraw/zinc/94/73/07/562947307.db2.gz	QMTLNFNTCKJVJE-SKBVVQJISA-N	1	0	427.633	4.213	50	10		IICARO
CC[N@H+](CCO)CCNc1cc(N2CCC[C@@H](C)C2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000020322093	569360237	/nfs/dbraw/zinc/36/02/37/569360237.db2.gz	SZMZKEKREKRMBX-QGZVFWFLSA-N	1	0	448.567	4.002	50	10		IICARO
O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000008917977	569486187	/nfs/dbraw/zinc/48/61/87/569486187.db2.gz	BMCUFBYPLYBZRH-WMZHIEFXSA-N	1	0	431.532	4.201	50	10	biogenic	IICARO
CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)c(OC)c3)=NN12	ZINC000010214250	569579070	/nfs/dbraw/zinc/57/90/70/569579070.db2.gz	PJBUCHFCRLAKOC-LJQANCHMSA-N	1	0	427.932	4.410	50	10		IICARO
COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2c1	ZINC000012681629	525647601	/nfs/dbraw/zinc/64/76/01/525647601.db2.gz	ZQZCUKYCPOKHOU-UHFFFAOYSA-N	1	0	434.492	4.133	50	10		IICARO
COc1ccc(N2CC[N@H+](C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@H]34)C[C@@H]2C)cc1	ZINC000105369080	557496163	/nfs/dbraw/zinc/49/61/63/557496163.db2.gz	QCFMNECCTNFCRH-OONXPTISSA-N	1	0	436.596	4.440	50	10	biogenic	IICARO
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CC[NH+](C)CC4)c32)cc1Cl	ZINC000019794014	563022957	/nfs/dbraw/zinc/02/29/57/563022957.db2.gz	NBCVZKRGGNFLRF-UHFFFAOYSA-N	1	0	443.931	4.109	50	10		IICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)C[C@H](c1cc(Cl)ccc1O)N2	ZINC000065298037	569131830	/nfs/dbraw/zinc/13/18/30/569131830.db2.gz	VHRZBYICHQVXJH-LJQANCHMSA-N	1	0	427.932	4.110	50	10	biogenic	IICARO
Cc1oc2ccc(O)c(CN3CC[NH+](Cc4ccccc4)CC3)c2c1C(=O)NC1CCCC1	ZINC000019794044	569329420	/nfs/dbraw/zinc/32/94/20/569329420.db2.gz	SHZVTFMFLSTVAW-UHFFFAOYSA-N	1	0	447.579	4.437	50	10		IICARO
CN1CCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)[NH+]3CCCC3)ccc21	ZINC000008963329	569491109	/nfs/dbraw/zinc/49/11/09/569491109.db2.gz	ASDBARDWQZSWRB-OAQYLSRUSA-N	1	0	428.374	4.008	50	10		IICARO
CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2)c1O	ZINC000020448807	521341578	/nfs/dbraw/zinc/34/15/78/521341578.db2.gz	JDFXORKCCZHUNF-QFIPXVFZSA-N	1	0	429.992	4.231	50	10		IICARO
COc1ccc(NC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1OC	ZINC000035597177	524566524	/nfs/dbraw/zinc/56/65/24/524566524.db2.gz	PAXITMLQLJPTLR-JOCHJYFZSA-N	1	0	438.572	4.045	50	10		IICARO
COc1ccc(N2CCN(C(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)CC2)cc1	ZINC000016156554	556586039	/nfs/dbraw/zinc/58/60/39/556586039.db2.gz	JXRLHXUKFHRASA-UHFFFAOYSA-N	1	0	441.575	4.216	50	10		IICARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccccc4OC(F)F)C3)CC2)cc1	ZINC000020363755	557011943	/nfs/dbraw/zinc/01/19/43/557011943.db2.gz	GJKZIFVJLLCSGX-NRFANRHFSA-N	1	0	431.527	4.083	50	10		IICARO
CC[NH+](CC)CCC[NH2+][C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)[O-]	ZINC000101090861	557244516	/nfs/dbraw/zinc/24/45/16/557244516.db2.gz	UQAQOSKGRVRIAS-UMQBKLLPSA-N	1	0	425.533	4.205	50	10		IICARO
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)C[NH+]2CCCCC2)c2ccccc12	ZINC000101305083	557271482	/nfs/dbraw/zinc/27/14/82/557271482.db2.gz	WAJAAXUKXQAYFT-AJPHYDNBSA-N	1	0	442.563	4.294	50	10		IICARO
CN(C)c1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(Cl)cc34)CC2)cc1	ZINC000065060096	569095732	/nfs/dbraw/zinc/09/57/32/569095732.db2.gz	QXIILDYQMDMTMC-UHFFFAOYSA-N	1	0	439.003	4.426	50	10		IICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Br)cc3)[NH+]3CCCC3)ccc21	ZINC000016838222	569162800	/nfs/dbraw/zinc/16/28/00/569162800.db2.gz	ITLMSURIFCNGNQ-JOCHJYFZSA-N	1	0	442.401	4.398	50	10		IICARO
COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1	ZINC000012387303	523628557	/nfs/dbraw/zinc/62/85/57/523628557.db2.gz	FUNNMOFEJRSCRH-UHFFFAOYSA-N	1	0	444.959	4.334	50	10		IICARO
COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[N@@H+]2CCc3ccccc3C2)c1	ZINC000035349266	525819591	/nfs/dbraw/zinc/81/95/91/525819591.db2.gz	FMHAEGAWAKEKOL-SANMLTNESA-N	1	0	429.564	4.291	50	10		IICARO
CN1CCCc2cc([C@@H](CNC(=O)COc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000016838196	563021052	/nfs/dbraw/zinc/02/10/52/563021052.db2.gz	AXHJCXZEFQMSCR-HSZRJFAPSA-N	1	0	427.976	4.055	50	10		IICARO
CN1CCc2cc([C@H](CNC(=O)c3cccc(Br)c3)[NH+]3CCCCC3)ccc21	ZINC000013007759	569306498	/nfs/dbraw/zinc/30/64/98/569306498.db2.gz	JYGNJJALEWHINN-QFIPXVFZSA-N	1	0	442.401	4.398	50	10		IICARO
COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1	ZINC000012459708	524048534	/nfs/dbraw/zinc/04/85/34/524048534.db2.gz	AOPSPADCEICVIV-QGZVFWFLSA-N	1	0	446.975	4.371	50	10		IICARO
COc1ccc(Cl)cc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCC1	ZINC000016838212	524198029	/nfs/dbraw/zinc/19/80/29/524198029.db2.gz	TUZPWMPFLQSORD-QFIPXVFZSA-N	1	0	427.976	4.298	50	10		IICARO
COc1ccccc1C(=O)Nc1cccc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)c1	ZINC000012452498	524357852	/nfs/dbraw/zinc/35/78/52/524357852.db2.gz	BEQVTLRMXUGEEI-UHFFFAOYSA-N	1	0	437.584	4.201	50	10		IICARO
CC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)Cc1ccc(N2CCC(OC)CC2)cc1	ZINC000058440539	556788966	/nfs/dbraw/zinc/78/89/66/556788966.db2.gz	VGKOQFZMLMBBTR-IBGZPJMESA-N	1	0	427.564	4.140	50	10		IICARO
CN1CCCc2cc([C@H](CNC(=O)COc3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000016838199	563020986	/nfs/dbraw/zinc/02/09/86/563020986.db2.gz	AXHJCXZEFQMSCR-QHCPKHFHSA-N	1	0	427.976	4.055	50	10		IICARO
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc1	ZINC000252517916	569189287	/nfs/dbraw/zinc/18/92/87/569189287.db2.gz	VAOZHFOARDPBBC-NQERJWCQSA-N	1	0	441.959	4.035	50	10		IICARO
CN1CCc2cc([C@H](CNC(=O)c3ccccc3Br)[NH+]3CCCC3)ccc21	ZINC000008963350	569491050	/nfs/dbraw/zinc/49/10/50/569491050.db2.gz	QPTPNCHMVMSLND-NRFANRHFSA-N	1	0	428.374	4.008	50	10		IICARO