smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NC1CCC([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)CC1	ZINC000161433183	337383442	/nfs/dbraw/zinc/38/34/42/337383442.db2.gz	KFLKUTNXJNLKEI-JCYILVPMSA-N	2	0	311.470	1.116	50	70		DDIARP
C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@](C)(O)C1)c1ccccc1	ZINC000160196533	248313495	/nfs/dbraw/zinc/31/34/95/248313495.db2.gz	WYAKJSZMHOCXLI-FUHWJXTLSA-N	2	0	319.449	1.252	50	70		DDIARP
COc1ccc([C@@H]([NH3+])CC(=O)NCc2ncc[nH]2)cc1OC	ZINC000218697973	407521680	/nfs/dbraw/zinc/52/16/80/407521680.db2.gz	RPQQVGMRKMHEFV-NSHDSACASA-N	2	0	304.350	1.133	50	70		DDIARP
Cc1n[nH]c(C)c1CCCNc1cc(C2CC([NH3+])C2)nc(N)n1	ZINC000218720452	407522146	/nfs/dbraw/zinc/52/21/46/407522146.db2.gz	BNLSFPCEAKSCOO-UHFFFAOYSA-N	2	0	315.425	1.648	50	70		DDIARP
COc1ccccc1CN1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217760520	407508586	/nfs/dbraw/zinc/50/85/86/407508586.db2.gz	KBHKKHXFSQJPHR-FVQHAEBGSA-N	2	0	301.434	1.278	50	70		DDIARP
CCc1ccc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)nc1	ZINC000218711205	407523171	/nfs/dbraw/zinc/52/31/71/407523171.db2.gz	HMQSXRRBWKUIMN-UHFFFAOYSA-N	2	0	312.421	1.857	50	70		DDIARP
CC(C)c1noc(CCNc2cc(C3CC([NH3+])C3)nc(N)n2)n1	ZINC000218685156	407522213	/nfs/dbraw/zinc/52/22/13/407522213.db2.gz	OPHFIFGNZIORND-UHFFFAOYSA-N	2	0	317.397	1.425	50	70		DDIARP
C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@](C)(O)C1)c1ccccc1	ZINC000160196384	248313701	/nfs/dbraw/zinc/31/37/01/248313701.db2.gz	WYAKJSZMHOCXLI-WMZOPIPTSA-N	2	0	319.449	1.252	50	70		DDIARP
CSCC[NH+]1CCN(c2cc(C3CC([NH3+])C3)ncn2)CC1	ZINC000218546321	333393704	/nfs/dbraw/zinc/39/37/04/333393704.db2.gz	DWLBDRDLGQQXSA-UHFFFAOYSA-N	2	0	307.467	1.166	50	70		DDIARP
CC(=O)NC1CCC([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)CC1	ZINC000161433061	337383420	/nfs/dbraw/zinc/38/34/20/337383420.db2.gz	KFLKUTNXJNLKEI-OFLPRAFFSA-N	2	0	311.470	1.116	50	70		DDIARP
C[N@@H+]1CCCN(CCC[NH2+]C2CCC3(CC2)OCCO3)CC1	ZINC000161026993	354241776	/nfs/dbraw/zinc/24/17/76/354241776.db2.gz	QRHVADOYPDUBRS-UHFFFAOYSA-N	2	0	311.470	1.289	50	70		DDIARP
CCCC[NH+]1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1	ZINC000218400923	407520110	/nfs/dbraw/zinc/52/01/10/407520110.db2.gz	CKASWFZUQJRWAW-UHFFFAOYSA-N	2	0	304.442	1.186	50	70		DDIARP
C[NH+](C)Cc1csc(CN2CCCn3nc(CO)cc3C2)c1	ZINC000217751296	407506858	/nfs/dbraw/zinc/50/68/58/407506858.db2.gz	WCHREXJTEYYIKH-UHFFFAOYSA-N	2	0	320.462	1.904	50	70		DDIARP
Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1C[NH+]1CCCC1	ZINC000218481977	407519415	/nfs/dbraw/zinc/51/94/15/407519415.db2.gz	UJVRFVWHVUSRPY-UHFFFAOYSA-N	2	0	305.422	1.673	50	70		DDIARP
C[N@@H+]1CCCN(c2cc(C3CC([NH3+])C3)nc(C3CC3)n2)CC1	ZINC000218576575	257274173	/nfs/dbraw/zinc/27/41/73/257274173.db2.gz	RQSGLVAGDFDLEU-UHFFFAOYSA-N	2	0	301.438	1.701	50	70		DDIARP
CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](c3cc(=O)[nH]cn3)C2)CC1	ZINC000218590883	257273919	/nfs/dbraw/zinc/27/39/19/257273919.db2.gz	OCDOQRJOTYPBMY-CTYIDZIISA-N	2	0	304.438	1.726	50	70		DDIARP
COc1ccc(CN2CCN3CC[N@H+](C)C[C@@H]3C2)cc1OC	ZINC000217383041	407500740	/nfs/dbraw/zinc/50/07/40/407500740.db2.gz	NHRONYHMTYHFFU-OAHLLOKOSA-N	2	0	305.422	1.135	50	70		DDIARP
COc1ccc([C@H]([NH3+])CC(=O)NCc2ncc[nH]2)cc1OC	ZINC000218698057	407522638	/nfs/dbraw/zinc/52/26/38/407522638.db2.gz	RPQQVGMRKMHEFV-LLVKDONJSA-N	2	0	304.350	1.133	50	70		DDIARP
CCOc1ccccc1N1CC[NH+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1	ZINC000217801408	201525783	/nfs/dbraw/zinc/52/57/83/201525783.db2.gz	LFKANRXZOGDCFJ-ZSHCYNCHSA-N	2	0	301.434	1.673	50	70		DDIARP