smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC[NH2+]1	ZINC000000197090	374237551	/nfs/dbraw/zinc/23/75/51/374237551.db2.gz	ASLJYECTXAVISF-UHFFFAOYSA-N	2	1	335.412	-1.046	50	0		EAAAMP
C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCS(=O)(=O)N2CCCC2)C1	ZINC000065527408	374302484	/nfs/dbraw/zinc/30/24/84/374302484.db2.gz	WBOGNMIZIKJAMR-TZMCWYRMSA-N	2	1	330.454	-1.321	50	0		EAAAMP
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1S(=O)(=O)N1CC[NH+](CC)CC1	ZINC000067513518	215156157	/nfs/dbraw/zinc/15/61/57/215156157.db2.gz	PRXZOUPESDAOBV-RYUDHWBXSA-N	2	1	333.458	-1.594	50	0		EAAAMP
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1S(=O)(=O)N1CC[NH+](CC)CC1	ZINC000067804263	374309536	/nfs/dbraw/zinc/30/95/36/374309536.db2.gz	PRXZOUPESDAOBV-NEPJUHHUSA-N	2	1	333.458	-1.594	50	0		EAAAMP
CN1CCCN(CC(N)=O)CCN(CC[NH3+])CCC[N@@H+](C)CC1	ZINC000068604143	374314010	/nfs/dbraw/zinc/31/40/10/374314010.db2.gz	WRHAPQYBYNOUIT-UHFFFAOYSA-N	2	1	328.505	-1.308	50	0		EAAAMP
CN1CCCN(CC(N)=O)CCN(CC[NH3+])CCC[N@H+](C)CC1	ZINC000068604143	374314001	/nfs/dbraw/zinc/31/40/01/374314001.db2.gz	WRHAPQYBYNOUIT-UHFFFAOYSA-N	2	1	328.505	-1.308	50	0		EAAAMP
CN1CCCN(CC[NH3+])CCN(CC(N)=O)CCC[N@@H+](C)CC1	ZINC000068604143	374313991	/nfs/dbraw/zinc/31/39/91/374313991.db2.gz	WRHAPQYBYNOUIT-UHFFFAOYSA-N	3	1	328.505	-1.308	50	0		EAAAMP
C[NH+]1CCCN(CC(N)=O)CC[N@@H+](C)CCCN(CC(N)=O)CC1	ZINC000068605083	414838770	/nfs/dbraw/zinc/83/87/70/414838770.db2.gz	MPNKIVHHGITQNJ-UHFFFAOYSA-N	2	1	342.488	-1.782	50	0		EAAAMP
C[NH+]1CCN([C@H]2CN(c3ncnc4c3CC[NH2+]CC4)C[C@@H]2O)CC1	ZINC000072430142	216222624	/nfs/dbraw/zinc/22/26/24/216222624.db2.gz	UZBYVKDSSJIDSU-HOTGVXAUSA-N	2	1	332.452	-1.038	50	0		EAAAMP
Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1O	ZINC000077390912	563969388	/nfs/dbraw/zinc/96/93/88/563969388.db2.gz	OJWLYOFRIUXBMJ-ZIAGYGMSSA-N	2	1	334.424	-1.011	50	0		EAAAMP
C[N@H+]1CC[C@H]2CN(C(=O)c3cn(CCN4CC[NH2+]CC4)nn3)C[C@H]21	ZINC000077427400	203388506	/nfs/dbraw/zinc/38/85/06/203388506.db2.gz	KGPFAQZHYDKLMO-DZGCQCFKSA-N	2	1	333.440	-1.041	50	0		EAAAMP
C[N@H+]1C[C@H](NC(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C[C@H]1CO	ZINC000077536686	203393925	/nfs/dbraw/zinc/39/39/25/203393925.db2.gz	YOPPKQMXWFUSQY-OLZOCXBDSA-N	2	1	337.428	-2.022	50	0		EAAAMP
NS(=O)(=O)c1ccc(CC[NH2+]C[C@]2(O)C[NH2+]CCOC2)cc1	ZINC000077537289	203394174	/nfs/dbraw/zinc/39/41/74/203394174.db2.gz	ODFIJWBDBFYTTR-AWEZNQCLSA-N	2	1	329.422	-1.183	50	0		EAAAMP
NS(=O)(=O)c1ccc(CC[NH2+]C[C@@]2(O)C[NH2+]CCOC2)cc1	ZINC000077537296	374328319	/nfs/dbraw/zinc/32/83/19/374328319.db2.gz	ODFIJWBDBFYTTR-CQSZACIVSA-N	2	1	329.422	-1.183	50	0		EAAAMP
C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)N2CCN(CCn3cncn3)CC2)C1	ZINC000096165616	374344318	/nfs/dbraw/zinc/34/43/18/374344318.db2.gz	VVZMNCKTHKGWND-GDBMZVCRSA-N	2	1	333.440	-1.427	50	0		EAAAMP