smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)NC(CC(N)=O)C(=O)[O-]	69486903	574415864	/nfs/dbraw/zinc/41/58/64/574415864.db2.gz	KLYBUVOUVJNZBE-UHFFFAOYSA-N	-1	3	189.171	-1.778	1	0	endogenous,in-vitro	AAAFHM
NCC(=O)NCC(=O)[O-]	69486910	574415894	/nfs/dbraw/zinc/41/58/94/574415894.db2.gz	XUEJFROMLCFPLH-UHFFFAOYSA-N	-1	3	132.119	-1.024	1	0	endogenous,in-vitro	AAAFHM
C[C@@H](O)C(NC(=O)CN)C(=O)[O-]	69486939	574415908	/nfs/dbraw/zinc/41/59/08/574415908.db2.gz	OHKPMLINJQJJDS-GSVOUGTGSA-N	-1	3	176.172	-1.273	1	0	endogenous,in-vitro	AAAFHM
C[C@H](O)C(NC(=O)CN)C(=O)[O-]	69486940	574415911	/nfs/dbraw/zinc/41/59/11/574415911.db2.gz	OHKPMLINJQJJDS-VKHMYHEASA-N	-1	3	176.172	-1.273	1	0	endogenous,in-vitro	AAAFHM
NCC(=O)NC(CO)C(=O)[O-]	69486936	574415929	/nfs/dbraw/zinc/41/59/29/574415929.db2.gz	OQPWHCPKQXPLLE-UHFFFAOYSA-N	-1	3	162.145	-1.661	1	0	endogenous,in-vitro	AAAFHM
C[C@H](N)C(=O)NC(CO)C(=O)[O-]	100385844	574417292	/nfs/dbraw/zinc/41/72/92/574417292.db2.gz	VQMWMIQLTGMLTM-VKHMYHEASA-N	-1	3	176.172	-1.273	1	0	endogenous,in-vitro	AAAFHM
C[C@@H](N)C(=O)NC(CO)C(=O)[O-]	100385841	574417314	/nfs/dbraw/zinc/41/73/14/574417314.db2.gz	VQMWMIQLTGMLTM-GSVOUGTGSA-N	-1	3	176.172	-1.273	1	0	endogenous,in-vitro	AAAFHM
N[C@H]1[N-]S(=O)(=O)c2nc[nH]c2N1	27643557	169260346	/nfs/dbraw/zinc/26/03/46/169260346.db2.gz	CAKYDPMFJOFGPK-SCSAIBSYSA-N	-1	3	189.200	-1.644	1	0		AAAFHM
N[C@@H]1[N-]S(=O)(=O)c2nc[nH]c2N1	27643563	169280120	/nfs/dbraw/zinc/28/01/20/169280120.db2.gz	CAKYDPMFJOFGPK-BYPYZUCNSA-N	-1	3	189.200	-1.644	1	0		AAAFHM
O=C1N[C@@H](O)[N-]c2nc(O)[nH]c21	28136055	169388011	/nfs/dbraw/zinc/38/80/11/169388011.db2.gz	UGSUIFIWONVEJB-YFKPBYRVSA-N	-1	3	170.128	-1.454	1	0	in-vitro	AAAFHM
O=C1N[C@@H](O)Nc2nc([O-])[nH]c21	28136055	169388012	/nfs/dbraw/zinc/38/80/12/169388012.db2.gz	UGSUIFIWONVEJB-YFKPBYRVSA-N	-1	3	170.128	-1.454	1	0	in-vitro	AAAFHM
O=C1N[C@H](O)[N-]c2nc(O)[nH]c21	28136061	169389702	/nfs/dbraw/zinc/38/97/02/169389702.db2.gz	UGSUIFIWONVEJB-RXMQYKEDSA-N	-1	3	170.128	-1.454	1	0	in-vitro	AAAFHM
O=C1N[C@H](O)Nc2nc([O-])[nH]c21	28136061	169389704	/nfs/dbraw/zinc/38/97/04/169389704.db2.gz	UGSUIFIWONVEJB-RXMQYKEDSA-N	-1	3	170.128	-1.454	1	0	in-vitro	AAAFHM
CO[C@@]1(O)CCCC(O)(O)C1([O-])O	70454917	560047904	/nfs/dbraw/zinc/04/79/04/560047904.db2.gz	PESWSJHPBPDMCD-LURJTMIESA-N	-1	3	194.183	-2.133	1	0	biogenic,in-vitro	AAAFHM
N[C@@H](CC(=O)NS)C(=O)[O-]	2038930	560186127	/nfs/dbraw/zinc/18/61/27/560186127.db2.gz	XIQSDJATPSOWKM-REOHCLBHSA-N	-1	3	164.186	-1.251	3	0	in-vitro,metabolite	AAAFHM
NC(=O)[C@@H](N)CSCC(=O)[O-]	6360488	560205615	/nfs/dbraw/zinc/20/56/15/560205615.db2.gz	ZCLNAXHSEATOAW-VKHMYHEASA-N	-1	3	178.213	-1.383	1	0	in-vitro	AAAFHM
N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)[O-]	6524704	560206076	/nfs/dbraw/zinc/20/60/76/560206076.db2.gz	PWDJFVLCTVHYOX-YFKPBYRVSA-O	-1	3	199.186	-1.203	1	0	in-vitro	AAAFHM