smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[O-])[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000005830339	182280200	/nfs/dbraw/zinc/28/02/00/182280200.db2.gz	JJQQOJRGUHNREK-PWNYCUMCSA-N	-3	3	231.097	-2.677	10	30	in-vivo	BAEEHL
N[C@@H](CNC(=O)C=CC(=O)[O-])C(=O)[O-]	ZINC000013516010	560218303	/nfs/dbraw/zinc/21/83/03/560218303.db2.gz	FYPSRFSOOLJBNE-QPHDTYRISA-N	-2	3	202.166	-1.004	10	30	in-vitro,metabolite	BAEEHL
CC(C)[C@@H](C(=O)N[O-])C(=O)NCC(=O)[O-]	ZINC000013741615	167345391	/nfs/dbraw/zinc/34/53/91/167345391.db2.gz	ODLMYCBVSPRKFQ-ZCFIWIBFSA-N	-2	3	218.209	-1.035	10	30		BAEEHL
O=C([O-])C[C@@H](C(=O)N[O-])S(=O)(=O)[O-]	ZINC000034581725	182475113	/nfs/dbraw/zinc/47/51/13/182475113.db2.gz	SWOWXEQFTJZWRH-REOHCLBHSA-N	-3	3	213.167	-1.777	10	30	in-vitro	BAEEHL
O=C([O-])C[C@H](C(=O)N[O-])S(=O)(=O)[O-]	ZINC000034581727	386444226	/nfs/dbraw/zinc/44/42/26/386444226.db2.gz	SWOWXEQFTJZWRH-UWTATZPHSA-N	-3	3	213.167	-1.777	10	30	in-vitro	BAEEHL
N[C@@H](CS)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000040439560	571761387	/nfs/dbraw/zinc/76/13/87/571761387.db2.gz	TULNGKSILXCZQT-IMJSIDKUSA-N	-2	3	236.249	-1.712	10	30	endogenous,in-man	BAEEHL
N#CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000040605494	181043062	/nfs/dbraw/zinc/04/30/62/181043062.db2.gz	QPCONKMHPJIPRB-UHFFFAOYSA-N	-2	3	230.205	-1.090	10	30		BAEEHL
N[C@@H](CS)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027052	571766195	/nfs/dbraw/zinc/76/61/95/571766195.db2.gz	TULNGKSILXCZQT-IUYQGCFVSA-N	-2	3	236.249	-1.712	10	30	endogenous,in-man	BAEEHL
N[C@H](CS)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027492	571767613	/nfs/dbraw/zinc/76/76/13/571767613.db2.gz	TULNGKSILXCZQT-DMTCNVIQSA-N	-2	3	236.249	-1.712	10	30	endogenous,in-man	BAEEHL
N[C@H](CS)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027527	571768409	/nfs/dbraw/zinc/76/84/09/571768409.db2.gz	TULNGKSILXCZQT-QWWZWVQMSA-N	-2	3	236.249	-1.712	10	30	endogenous,in-man	BAEEHL
[NH3+][C@@H](C[C@@H](CCC(=O)N[O-])C(=O)[O-])C(=O)[O-]	ZINC000095596706	187325984	/nfs/dbraw/zinc/32/59/84/187325984.db2.gz	VMZWGONYFYNQHE-UHNVWZDZSA-N	-2	3	234.208	-1.225	10	30		BAEEHL
C#CCOn1c([O-])c(F)c(=O)[n-]c1=O	ZINC000306735677	350904795	/nfs/dbraw/zinc/90/47/95/350904795.db2.gz	WLKZTPFCRIHRIK-BYPYZUCNSA-N	-2	3	200.125	-1.032	10	30		BAEEHL
C#CCOn1c([O-])c(F)c(=O)[n-]c1=O	ZINC000306735678	350904721	/nfs/dbraw/zinc/90/47/21/350904721.db2.gz	WLKZTPFCRIHRIK-SCSAIBSYSA-N	-2	3	200.125	-1.032	10	30		BAEEHL