smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C1CCC([NH3+])CC1	ZINC000003807300	581095561	/nfs/dbraw/zinc/09/55/61/581095561.db2.gz	ISJCFAFNSYZJRO-KJFGXLEFSA-N	1	3	471.602	0.126	1	0		JCAFHO
N[C@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873181	560190970	/nfs/dbraw/zinc/19/09/70/560190970.db2.gz	YUTZYVTZDVZBJJ-HOJAQTOUSA-N	1	3	460.579	0.350	1	0	in-vitro	JCAFHO
N[C@H](CCCC[NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873182	560190982	/nfs/dbraw/zinc/19/09/82/560190982.db2.gz	YUTZYVTZDVZBJJ-YZGWKJHDSA-N	1	3	460.579	0.350	1	0	in-vitro	JCAFHO
N[C@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873183	560190992	/nfs/dbraw/zinc/19/09/92/560190992.db2.gz	YUTZYVTZDVZBJJ-RLLQIKCJSA-N	1	3	460.579	0.350	1	0	in-vitro	JCAFHO
N[C@H](CCCC[NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000003873184	560190986	/nfs/dbraw/zinc/19/09/86/560190986.db2.gz	YUTZYVTZDVZBJJ-MISYRCLQSA-N	1	3	460.579	0.350	1	0	in-vitro	JCAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccn1C	ZINC000013612381	562979560	/nfs/dbraw/zinc/97/95/60/562979560.db2.gz	AZDLSQYZJKUEPP-ZCNNSNEGSA-N	1	3	496.616	0.173	1	0		JCAFHO
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1	ZINC000013612385	562979564	/nfs/dbraw/zinc/97/95/64/562979564.db2.gz	GZUGRLHDTNRHQF-OTWHNJEPSA-N	1	3	499.641	0.896	1	0		JCAFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nccs1	ZINC000028770845	563079157	/nfs/dbraw/zinc/07/91/57/563079157.db2.gz	OFHIDRGUDULJBU-AXHZCLLHSA-N	1	3	498.657	0.709	1	0		JCAFHO
CC(C)(C)c1ncc(C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)[nH]1	ZINC000045284047	563183515	/nfs/dbraw/zinc/18/35/15/563183515.db2.gz	JHTNJOAXCGGUCE-ROUUACIJSA-N	1	3	456.595	0.641	1	0		JCAFHO
CC(C)(C)c1nc(C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)c[nH]1	ZINC000045284047	563183514	/nfs/dbraw/zinc/18/35/14/563183514.db2.gz	JHTNJOAXCGGUCE-ROUUACIJSA-N	1	3	456.595	0.641	1	0		JCAFHO
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1cnc(C23CC4CC(CC(C4)C2)C3)[nH]1	ZINC000045287107	563184120	/nfs/dbraw/zinc/18/41/20/563184120.db2.gz	BFGIOSXIBISUPC-VJYSTVOCSA-N	1	3	459.595	0.668	1	0		JCAFHO
COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1	ZINC000045287107	563184119	/nfs/dbraw/zinc/18/41/19/563184119.db2.gz	BFGIOSXIBISUPC-VJYSTVOCSA-N	1	3	459.595	0.668	1	0		JCAFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)Cc1cnc(C2CCC2)[nH]1)C(=O)NCc1ccccc1	ZINC000045290698	563184992	/nfs/dbraw/zinc/18/49/92/563184992.db2.gz	LXIDOTNBMGTCAJ-OALUTQOASA-N	1	3	454.579	0.611	1	0		JCAFHO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c(C2CCC2)n1)C(=O)NCc1ccccc1	ZINC000045290698	563184991	/nfs/dbraw/zinc/18/49/91/563184991.db2.gz	LXIDOTNBMGTCAJ-OALUTQOASA-N	1	3	454.579	0.611	1	0		JCAFHO
CNCCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC)C[C@]32[C@H](C)CC1	ZINC000103524718	291435929	/nfs/dbraw/zinc/43/59/29/291435929.db2.gz	FCJIOKJCMDMFJT-ZVTCBOILSA-N	1	3	475.634	0.980	1	0	biogenic,in-vitro	JCAFHO