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+])NC(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000005829414	181322942	/nfs/dbraw/zinc/32/29/42/181322942.db2.gz	ZZRSCRSCOGNYOD-UHFFFAOYSA-N	-3	3	233.057	-2.101	1	30		BAEFHL
N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000040439585	571761448	/nfs/dbraw/zinc/76/14/48/571761448.db2.gz	FKBFDTRILNZGAI-IMJSIDKUSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-man	BAEFHL
N[C@@H](CC(=O)N[C@@H](CS)C(=O)[O-])C(=O)[O-]	ZINC000050026822	574414891	/nfs/dbraw/zinc/41/48/91/574414891.db2.gz	JTEFQKZURQBRIV-IMJSIDKUSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-vitro	BAEFHL
N[C@@H](CC(=O)[O-])C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050026837	571765415	/nfs/dbraw/zinc/76/54/15/571765415.db2.gz	FKBFDTRILNZGAI-IUYQGCFVSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-man	BAEFHL
N[C@@H](CC(=O)N[C@H](CS)C(=O)[O-])C(=O)[O-]	ZINC000050026840	574414880	/nfs/dbraw/zinc/41/48/80/574414880.db2.gz	JTEFQKZURQBRIV-IUYQGCFVSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-vitro	BAEFHL
N[C@H](CC(=O)[O-])C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000050027260	571767003	/nfs/dbraw/zinc/76/70/03/571767003.db2.gz	FKBFDTRILNZGAI-DMTCNVIQSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-man	BAEFHL
N[C@H](CC(=O)N[C@@H](CS)C(=O)[O-])C(=O)[O-]	ZINC000050027263	574414952	/nfs/dbraw/zinc/41/49/52/574414952.db2.gz	JTEFQKZURQBRIV-DMTCNVIQSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-vitro	BAEFHL
N[C@H](CC(=O)[O-])C(=O)N[C@H](CS)C(=O)[O-]	ZINC000050027292	571766819	/nfs/dbraw/zinc/76/68/19/571766819.db2.gz	FKBFDTRILNZGAI-QWWZWVQMSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-man	BAEFHL
N[C@H](CC(=O)N[C@H](CS)C(=O)[O-])C(=O)[O-]	ZINC000050027294	574414958	/nfs/dbraw/zinc/41/49/58/574414958.db2.gz	JTEFQKZURQBRIV-QWWZWVQMSA-N	-2	3	236.249	-1.712	1	30	endogenous,in-vitro	BAEFHL
O=C(COP(=O)([O-])[O-])N([O-])CCCO	ZINC000064437140	182000406	/nfs/dbraw/zinc/00/04/06/182000406.db2.gz	IBLNNYVSIPKXRB-UHFFFAOYSA-N	-3	3	229.125	-1.304	1	30		BAEFHL
CC(=O)COc1c([O-])oc([C@@H](O)CO)c1[O-]	ZINC000101471113	188322582	/nfs/dbraw/zinc/32/25/82/188322582.db2.gz	VXKXIIGAQNDFQT-CAHLUQPWSA-N	-2	3	232.188	-1.360	1	30		BAEFHL