smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000004533823	552463885	/nfs/dbraw/zinc/46/38/85/552463885.db2.gz	YDPNOCSPPGFBPX-XHIRGIGLSA-N	-1	0	628.639	0.591	40	5		KCBBRM
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000004533825	552463895	/nfs/dbraw/zinc/46/38/95/552463895.db2.gz	YDPNOCSPPGFBPX-CSEYDVTNSA-N	-1	0	628.639	0.591	40	5		KCBBRM
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000028818883	553843593	/nfs/dbraw/zinc/84/35/93/553843593.db2.gz	VKVDYPHLGLIXAG-SJBKTWHCSA-N	-1	0	544.517	0.560	40	5		KCBBRM
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000028818887	553843536	/nfs/dbraw/zinc/84/35/36/553843536.db2.gz	VKVDYPHLGLIXAG-KCZVDYSFSA-N	-1	0	544.517	0.560	40	5		KCBBRM
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000043569357	554298655	/nfs/dbraw/zinc/29/86/55/554298655.db2.gz	VKVDYPHLGLIXAG-VWPQPMDRSA-N	-1	0	544.517	0.560	40	5		KCBBRM
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[n-]c(=O)nc1-2)OC(C)=O	ZINC000043569359	554298687	/nfs/dbraw/zinc/29/86/87/554298687.db2.gz	VKVDYPHLGLIXAG-TUNNFDKTSA-N	-1	0	544.517	0.560	40	5		KCBBRM
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788466	553639208	/nfs/dbraw/zinc/63/92/08/553639208.db2.gz	UAHYXBAKUGCYIL-FVCZOJIISA-N	-1	0	608.674	0.636	40	5		KCBBRM
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788467	553639287	/nfs/dbraw/zinc/63/92/87/553639287.db2.gz	IYHHIHIBYVIDMJ-KZDUYQQSSA-N	-1	0	550.569	0.053	40	5		KCBBRM
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788482	553639514	/nfs/dbraw/zinc/63/95/14/553639514.db2.gz	BDVVLNPNJZWEDW-ZLFOXAAKSA-N	-1	0	576.607	0.539	40	5		KCBBRM
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788484	553639531	/nfs/dbraw/zinc/63/95/31/553639531.db2.gz	ZNWNJYFEOLWFHC-FVCZOJIISA-N	-1	0	576.607	0.683	40	5		KCBBRM
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788485	553639523	/nfs/dbraw/zinc/63/95/23/553639523.db2.gz	NPMRWZCVKXKVKM-USAWPYOZSA-N	-1	0	590.634	0.929	40	5		KCBBRM
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000256012838	572305129	/nfs/dbraw/zinc/30/51/29/572305129.db2.gz	YDPNOCSPPGFBPX-GLWCMYJFSA-N	-1	0	628.639	0.591	40	5		KCBBRM
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000256012839	572305081	/nfs/dbraw/zinc/30/50/81/572305081.db2.gz	YDPNOCSPPGFBPX-LZUSQQTESA-N	-1	0	628.639	0.591	40	5		KCBBRM
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000642886981	1066239607	/nfs/dbraw/zinc/23/96/07/1066239607.db2.gz	ZNWNJYFEOLWFHC-JSJNYSNDSA-N	-1	0	576.607	0.683	40	5		KCBBRM
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000642886982	1066239622	/nfs/dbraw/zinc/23/96/22/1066239622.db2.gz	ZNWNJYFEOLWFHC-LPWQTFTOSA-N	-1	0	576.607	0.683	40	5		KCBBRM
CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000642886983	1066239564	/nfs/dbraw/zinc/23/95/64/1066239564.db2.gz	ZNWNJYFEOLWFHC-YKCBXCCJSA-N	-1	0	576.607	0.683	40	5		KCBBRM