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)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000003934113	552423033	/nfs/dbraw/zinc/42/30/33/552423033.db2.gz	CWAHAVYVGPRZJU-XUXIUFHCSA-N	-1	1	614.617	-5.795	50	0	in-vitro	KAAAMM
NC(=O)OC[C@H](O)[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@H]1O[C@@H](n2cc(CO)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000008551990	553077774	/nfs/dbraw/zinc/07/77/74/553077774.db2.gz	YFZNSPMAOIVQRP-YVKGXWRCSA-N	-1	1	507.409	-6.638	50	0		KAAAMM
CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)[O-]	ZINC000017655293	553599300	/nfs/dbraw/zinc/59/93/00/553599300.db2.gz	VTCFYKYDKDAJKZ-XHOYROJHSA-N	-1	1	619.676	-2.539	50	0	in-vitro	KAAAMM
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-])C(C)C	ZINC000068009799	562715689	/nfs/dbraw/zinc/71/56/89/562715689.db2.gz	ORFLZNAGUTZRLQ-ZMBVWFSWSA-N	-1	1	725.845	-3.184	50	0	investigational	KAAAMM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O	ZINC000095628075	553706319	/nfs/dbraw/zinc/70/63/19/553706319.db2.gz	NUNBRHVOPFWRRG-RCEFDBTISA-N	-1	1	782.896	-1.273	50	0	in-vivo	KAAAMM
CSCC[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000095680135	553707446	/nfs/dbraw/zinc/70/74/46/553707446.db2.gz	AFEHBIGDWIGTEH-AQRCPPRCSA-N	-1	1	813.935	-1.223	50	0		KAAAMM
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000104830055	571386708	/nfs/dbraw/zinc/38/67/08/571386708.db2.gz	SAGYNNXCQOFQHW-FZKCQIBNSA-N	-1	1	523.547	-3.174	50	0		KAAAMM
CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc([O-])cn3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000952855869	1066213426	/nfs/dbraw/zinc/21/34/26/1066213426.db2.gz	JPTLABDKQHZIPL-REVLRCOSSA-N	-1	1	651.721	-1.306	50	0		KAAAMM
NC(=O)OC[C@@H](O)[C@H](O)[C@@H](N)C(=O)N[C@@H](C(=O)[O-])[C@@H]1O[C@H](n2cc(CO)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O	ZINC001529382532	1066226065	/nfs/dbraw/zinc/22/60/65/1066226065.db2.gz	YFZNSPMAOIVQRP-HSFOSJQRSA-N	-1	1	507.409	-5.812	50	0		KAAAMM