smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CC[NH2+]C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000040406111	183062373	/nfs/dbraw/zinc/06/23/73/183062373.db2.gz	GQPCRBAVQDQAJU-QYVSTXNMSA-N	2	2	323.357	-2.163	1	0		DAAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000230062862	574420293	/nfs/dbraw/zinc/42/02/93/574420293.db2.gz	NSSFBLAWOMFCOV-RNFRBKRXSA-N	2	2	302.335	-2.588	1	0	endogenous,in-vitro	DAAFLP
N=C1NC(=[NH2+])NC(=[NH2+])[C@@H]2[C@H]1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000195340716	201380583	/nfs/dbraw/zinc/38/05/83/201380583.db2.gz	IBEAYMSZGGCQOU-BYRBNFEVSA-N	2	2	311.302	-3.831	1	0		DAAFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(N)=O	ZINC000096917173	185391511	/nfs/dbraw/zinc/39/15/11/185391511.db2.gz	VORFWIJIZLIOII-DTWKUNHWSA-N	3	2	310.362	-2.487	1	0		DAAFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(N)=O	ZINC000096917173	185391512	/nfs/dbraw/zinc/39/15/12/185391512.db2.gz	VORFWIJIZLIOII-DTWKUNHWSA-N	3	2	310.362	-2.487	1	0		DAAFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000013514831	571702811	/nfs/dbraw/zinc/70/28/11/571702811.db2.gz	NSSFBLAWOMFCOV-BQBZGAKWSA-N	2	2	302.335	-2.588	1	0	endogenous,in-man	DAAFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000050026900	574414902	/nfs/dbraw/zinc/41/49/02/574414902.db2.gz	BNODVYXZAAXSHW-DTWKUNHWSA-N	2	2	311.346	-1.888	1	0	endogenous,in-vitro	DAAFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000050026900	574414903	/nfs/dbraw/zinc/41/49/03/574414903.db2.gz	BNODVYXZAAXSHW-DTWKUNHWSA-N	2	2	311.346	-1.888	1	0	endogenous,in-vitro	DAAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000050027481	574415032	/nfs/dbraw/zinc/41/50/32/574415032.db2.gz	BNODVYXZAAXSHW-RKDXNWHRSA-N	2	2	311.346	-1.888	1	0	endogenous,in-man	DAAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000050027481	574415033	/nfs/dbraw/zinc/41/50/33/574415033.db2.gz	BNODVYXZAAXSHW-RKDXNWHRSA-N	2	2	311.346	-1.888	1	0	endogenous,in-man	DAAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000095617686	574416984	/nfs/dbraw/zinc/41/69/84/574416984.db2.gz	NSSFBLAWOMFCOV-RQJHMYQMSA-N	2	2	302.335	-2.588	1	0	endogenous,in-man	DAAFLP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-]	ZINC000100770828	571813648	/nfs/dbraw/zinc/81/36/48/571813648.db2.gz	NSSFBLAWOMFCOV-NKWVEPMBSA-N	2	2	302.335	-2.588	1	0	endogenous,in-vitro	DAAFLP
NC(=O)c1c(CN[C@@H](c2c[nH+]c[nH]2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040394154	183061087	/nfs/dbraw/zinc/06/10/87/183061087.db2.gz	LJHQLIXTGDQEIG-LLVKDONJSA-N	2	2	321.341	-1.040	1	0		DAAFLP
NC(=O)c1c(CN[C@@H](c2c[nH]c[nH+]2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040394154	183061089	/nfs/dbraw/zinc/06/10/89/183061089.db2.gz	LJHQLIXTGDQEIG-LLVKDONJSA-N	2	2	321.341	-1.040	1	0		DAAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	ZINC000050027451	571767588	/nfs/dbraw/zinc/76/75/88/571767588.db2.gz	BNODVYXZAAXSHW-BDAKNGLRSA-N	2	2	311.346	-1.888	1	0	endogenous,in-man	DAAFLP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	ZINC000050027451	571767591	/nfs/dbraw/zinc/76/75/91/571767591.db2.gz	BNODVYXZAAXSHW-BDAKNGLRSA-N	2	2	311.346	-1.888	1	0	endogenous,in-man	DAAFLP
NC(=O)c1c(CN[C@H](c2c[nH+]c[nH]2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040394156	183061034	/nfs/dbraw/zinc/06/10/34/183061034.db2.gz	LJHQLIXTGDQEIG-NSHDSACASA-N	2	2	321.341	-1.040	1	0		DAAFLP
NC(=O)c1c(CN[C@H](c2c[nH]c[nH+]2)C2CC[NH2+]CC2)no[n+]1[O-]	ZINC000040394156	183061035	/nfs/dbraw/zinc/06/10/35/183061035.db2.gz	LJHQLIXTGDQEIG-NSHDSACASA-N	2	2	321.341	-1.040	1	0		DAAFLP
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(N)=O	ZINC000058591241	184124297	/nfs/dbraw/zinc/12/42/97/184124297.db2.gz	XNPRAVWGHMYKCS-QWRGUYRKSA-N	2	2	324.385	-1.588	1	0		DAAFLP
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(N)=O	ZINC000058591241	184124299	/nfs/dbraw/zinc/12/42/99/184124299.db2.gz	XNPRAVWGHMYKCS-QWRGUYRKSA-N	2	2	324.385	-1.588	1	0		DAAFLP