smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](N)C(=O)NC(CO)C(=O)[O-]	ZINC000100385968	574417394	/nfs/dbraw/zinc/41/73/94/574417394.db2.gz	PQELMWBVAMGIPK-RXMQYKEDSA-N	0	3	261.282	-2.239	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000033976622	571747996	/nfs/dbraw/zinc/74/79/96/571747996.db2.gz	RGTVXXNMOGHRAY-NTSWFWBYSA-N	0	3	277.350	-1.924	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000033976621	571748066	/nfs/dbraw/zinc/74/80/66/571748066.db2.gz	RGTVXXNMOGHRAY-WDSKDSINSA-N	0	3	277.350	-1.924	1	30	endogenous,in-vitro	CAEFHN
NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CS	ZINC000096917155	185130225	/nfs/dbraw/zinc/13/02/25/185130225.db2.gz	JIHASAKKAIHWHH-NKWVEPMBSA-N	0	3	257.319	-1.821	1	30		CAEFHN
NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CS	ZINC000096917155	185130226	/nfs/dbraw/zinc/13/02/26/185130226.db2.gz	JIHASAKKAIHWHH-NKWVEPMBSA-N	0	3	257.319	-1.821	1	30		CAEFHN
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CS	ZINC000096921281	185131476	/nfs/dbraw/zinc/13/14/76/185131476.db2.gz	UIRLDVCYHFKIFD-YUMQZZPRSA-N	0	3	272.330	-1.133	1	30		CAEFHN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CS	ZINC000096921281	185131478	/nfs/dbraw/zinc/13/14/78/185131478.db2.gz	UIRLDVCYHFKIFD-YUMQZZPRSA-N	0	3	272.330	-1.133	1	30		CAEFHN
O=C(CNC(=O)c1cccc2[n+]1CC(=O)CC2)N[O-]	ZINC000055881387	526862650	/nfs/dbraw/zinc/86/26/50/526862650.db2.gz	UUBHICMMWXWXCP-UHFFFAOYSA-N	0	3	263.253	-1.266	1	30		CAEFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000034040038	571749870	/nfs/dbraw/zinc/74/98/70/571749870.db2.gz	OSASDIVHOSJVII-RITPCOANSA-N	0	3	277.350	-1.924	1	30	endogenous,in-man	CAEFHN
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@H](N)CS)C(=O)[O-]	ZINC000033976620	574414173	/nfs/dbraw/zinc/41/41/73/574414173.db2.gz	RGTVXXNMOGHRAY-PHDIDXHHSA-N	0	3	277.350	-1.924	1	30	endogenous,in-man	CAEFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100385902	574417360	/nfs/dbraw/zinc/41/73/60/574417360.db2.gz	AJTVGXXQZLNYQF-YFKPBYRVSA-N	0	3	277.350	-1.302	1	30	endogenous,in-vitro	CAEFHN
C[C@H](N)C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O	ZINC000049112739	524822466	/nfs/dbraw/zinc/82/24/66/524822466.db2.gz	BIJBJBOBKGVKSB-WDSKDSINSA-N	0	3	272.261	-2.527	1	30		CAEFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000034040039	574414194	/nfs/dbraw/zinc/41/41/94/574414194.db2.gz	OSASDIVHOSJVII-NTSWFWBYSA-N	0	3	277.350	-1.924	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)NC(CC(N)=O)C(=O)[O-]	ZINC000100385887	574417340	/nfs/dbraw/zinc/41/73/40/574417340.db2.gz	VJRBPYIZDYWMBH-YFKPBYRVSA-N	0	3	288.308	-2.356	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)NC(CS)C(=O)[O-]	ZINC000100385898	574417362	/nfs/dbraw/zinc/41/73/62/574417362.db2.gz	AJTVGXXQZLNYQF-RXMQYKEDSA-N	0	3	277.350	-1.302	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)NC(CC(N)=O)C(=O)[O-]	ZINC000100385884	574417364	/nfs/dbraw/zinc/41/73/64/574417364.db2.gz	VJRBPYIZDYWMBH-RXMQYKEDSA-N	0	3	288.308	-2.356	1	30	endogenous,in-vitro	CAEFHN
C[C@H](O)C(NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385978	574417374	/nfs/dbraw/zinc/41/73/74/574417374.db2.gz	UAIBVSYDGZVHAM-NTSWFWBYSA-N	0	3	275.309	-1.851	1	30	endogenous,in-vitro	CAEFHN
C[C@@H](O)C(NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385975	574417396	/nfs/dbraw/zinc/41/73/96/574417396.db2.gz	UAIBVSYDGZVHAM-PHDIDXHHSA-N	0	3	275.309	-1.851	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCCC(NC(=O)[C@@H](N)CS)C(=O)[O-]	ZINC000100386238	574417488	/nfs/dbraw/zinc/41/74/88/574417488.db2.gz	KXALIVPBJUHBMO-YFKPBYRVSA-N	0	3	277.350	-1.302	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCCC(NC(=O)[C@H](N)CS)C(=O)[O-]	ZINC000100386243	574417490	/nfs/dbraw/zinc/41/74/90/574417490.db2.gz	KXALIVPBJUHBMO-RXMQYKEDSA-N	0	3	277.350	-1.302	1	30	endogenous,in-vitro	CAEFHN
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CS	ZINC000096917153	185130096	/nfs/dbraw/zinc/13/00/96/185130096.db2.gz	JIHASAKKAIHWHH-BQBZGAKWSA-N	0	3	257.319	-1.821	1	30		CAEFHN
NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CS	ZINC000096917153	185130098	/nfs/dbraw/zinc/13/00/98/185130098.db2.gz	JIHASAKKAIHWHH-BQBZGAKWSA-N	0	3	257.319	-1.821	1	30		CAEFHN
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CS	ZINC000096921282	185130836	/nfs/dbraw/zinc/13/08/36/185130836.db2.gz	UIRLDVCYHFKIFD-JGVFFNPUSA-N	0	3	272.330	-1.133	1	30		CAEFHN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CS	ZINC000096921282	185130839	/nfs/dbraw/zinc/13/08/39/185130839.db2.gz	UIRLDVCYHFKIFD-JGVFFNPUSA-N	0	3	272.330	-1.133	1	30		CAEFHN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)CS)C(=O)[O-]	ZINC000033976619	571747988	/nfs/dbraw/zinc/74/79/88/571747988.db2.gz	RGTVXXNMOGHRAY-RITPCOANSA-N	0	3	277.350	-1.924	1	30	endogenous,in-man	CAEFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](CS)C(=O)[O-]	ZINC000034040040	574414202	/nfs/dbraw/zinc/41/42/02/574414202.db2.gz	OSASDIVHOSJVII-PHDIDXHHSA-N	0	3	277.350	-1.924	1	30	endogenous,in-vitro	CAEFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)NC(CO)C(=O)[O-]	ZINC000100385971	574417390	/nfs/dbraw/zinc/41/73/90/574417390.db2.gz	PQELMWBVAMGIPK-YFKPBYRVSA-N	0	3	261.282	-2.239	1	30	endogenous,in-vitro	CAEFHN
C[C@H](O)C(NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385982	574417400	/nfs/dbraw/zinc/41/74/00/574417400.db2.gz	UAIBVSYDGZVHAM-WDSKDSINSA-N	0	3	275.309	-1.851	1	30	endogenous,in-vitro	CAEFHN
C[C@@H](O)C(NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000100385980	574417406	/nfs/dbraw/zinc/41/74/06/574417406.db2.gz	UAIBVSYDGZVHAM-RITPCOANSA-N	0	3	275.309	-1.851	1	30	endogenous,in-vitro	CAEFHN