smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC1=C(C)[C@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000032789737	571744352	/nfs/dbraw/zinc/74/43/52/571744352.db2.gz	KDCCOOGTVSRCHX-QEGVEPJLSA-N	-1	2	590.721	4.700	10	0	endogenous,in-man	KJAELM
CCC1=C(C)[C@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000032789740	562037130	/nfs/dbraw/zinc/03/71/30/562037130.db2.gz	KDCCOOGTVSRCHX-UYMYUHGCSA-N	-1	2	590.721	4.700	10	0	endogenous,in-man	KJAELM
CCC1=C(C)[C@@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000040164448	571756146	/nfs/dbraw/zinc/75/61/46/571756146.db2.gz	KDCCOOGTVSRCHX-PXQXBSAQSA-N	-1	2	590.721	4.700	10	0	endogenous,in-man	KJAELM
CCC1=C(C)[C@@H](CC2=[NH+]/C(=C/c3[nH]c(C[C@@H]4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)[O-])C(CCC(=O)[O-])=C2C)NC1=O	ZINC000040164449	571756141	/nfs/dbraw/zinc/75/61/41/571756141.db2.gz	KDCCOOGTVSRCHX-YYVBKQGDSA-N	-1	2	590.721	4.700	10	0	endogenous,in-man	KJAELM
CCC[C@@]1(CCc2ccccc2)CC(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1	ZINC000094313244	553697476	/nfs/dbraw/zinc/69/74/76/553697476.db2.gz	ODSCYUCOVFARRF-YFHPYYSLSA-N	-1	2	778.799	4.676	10	0	in-vitro	KJAELM
C=CC1=C(C)/C(=C/c2[nH]c(/C=C3\[NH+]=C(/C=C4\NC(=O)C(C)=C4C=C)C(C)=C3CCC(=O)[O-])c(CCC(=O)[O-])c2C)NC1=O	ZINC000103534374	555434387	/nfs/dbraw/zinc/43/43/87/555434387.db2.gz	GWZYPXHJIZCRAJ-SRVCBVSDSA-N	-1	2	582.657	4.807	10	0	in-vitro	KJAELM
CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3\[NH+]=C(C[C@@H]4NC(=O)[C@H](C)[C@@H]4CC)C(C)=C3CCC(=O)[O-])c(CCC(=O)[O-])c2C)[C@@H]1C	ZINC000109565365	571843670	/nfs/dbraw/zinc/84/36/70/571843670.db2.gz	TYOWQSLRVAUSMI-NEJNIRMKSA-N	-1	2	594.753	4.571	10	0	endogenous,in-man	KJAELM
CC[C@@H]1[C@@H](C)C(=O)N[C@H]1CC1=[NH+]/C(=C/c2[nH]c(C[C@H]3NC(=O)[C@@H](CC)[C@@H]3C)c(C)c2CCC(=O)[O-])C(CCC(=O)[O-])=C1C	ZINC000256003328	571856325	/nfs/dbraw/zinc/85/63/25/571856325.db2.gz	TYOWQSLRVAUSMI-COPKRZSOSA-N	-1	2	594.753	4.571	10	0	endogenous,in-vitro	KJAELM
CC[C@@H]1C(=O)N[C@H](Cc2[nH]c(/C=C3/[NH+]=C(C[C@@H]4NC(=O)[C@H](C)[C@@H]4CC)C(C)=C3CCC(=O)[O-])c(CCC(=O)[O-])c2C)[C@H]1C	ZINC000256003329	574422011	/nfs/dbraw/zinc/42/20/11/574422011.db2.gz	TYOWQSLRVAUSMI-PEXCHOIFSA-N	-1	2	594.753	4.571	10	0	endogenous,in-vitro	KJAELM
CC[C@@H]1[C@@H](C)C(=O)N[C@H]1CC1=[NH+]/C(=C/c2[nH]c(C[C@H]3NC(=O)[C@@H](CC)[C@H]3C)c(C)c2CCC(=O)[O-])C(CCC(=O)[O-])=C1C	ZINC000256003330	571856482	/nfs/dbraw/zinc/85/64/82/571856482.db2.gz	TYOWQSLRVAUSMI-PNCGXQDLSA-N	-1	2	594.753	4.571	10	0	endogenous,in-vitro	KJAELM