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)NCC(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)CNC(=O)CN)c2c1C(=O)c1ccccc1C2=O	ZINC000026838885	561825227	/nfs/dbraw/zinc/82/52/27/561825227.db2.gz	IVRXXENBPCUAAS-UHFFFAOYSA-N	0	3	580.558	-3.279	1	10		KACFHN
C[C@H](N)C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)[C@H](C)N)ccc1C2=O	ZINC000040872350	562081554	/nfs/dbraw/zinc/08/15/54/562081554.db2.gz	DLNUBDODGHPUFZ-KBPBESRZSA-N	0	3	522.562	-1.152	1	10		KACFHN
C[C@H](N)C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NCCNC(=O)[C@H](C)N)cc1C2=O	ZINC000040873069	562081712	/nfs/dbraw/zinc/08/17/12/562081712.db2.gz	RGCSODPZDDDMAC-KBPBESRZSA-N	0	3	522.562	-1.152	1	10		KACFHN
C[C@@H](O)[C@H](N)C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)O)ccc1C2=O	ZINC000044359899	562655534	/nfs/dbraw/zinc/65/55/34/562655534.db2.gz	FLFVCOYRMLTFJO-WRMVBYCNSA-N	0	3	582.614	-2.430	1	10		KACFHN
N[C@@H](CO)C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)[C@@H](N)CO)ccc1C2=O	ZINC000044405699	562656715	/nfs/dbraw/zinc/65/67/15/562656715.db2.gz	QEHQUPFKVXNRDD-PMACEKPBSA-N	0	3	554.560	-3.207	1	10		KACFHN
N[C@@H](CO)C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NCCNC(=O)[C@@H](N)CO)cc1C2=O	ZINC000044406312	562656879	/nfs/dbraw/zinc/65/68/79/562656879.db2.gz	FKUCNYBNODAXOI-PMACEKPBSA-N	0	3	554.560	-3.207	1	10		KACFHN
NC[C@@H](N)C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@H](N)CN)cc1C2=O	ZINC000103298899	562824825	/nfs/dbraw/zinc/82/48/25/562824825.db2.gz	APVCFVPWXZFFOD-WOJBJXKFSA-N	0	3	552.592	-2.076	1	10		KACFHN
NC[C@H](N)C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](N)CN)cc1C2=O	ZINC000103298903	562824870	/nfs/dbraw/zinc/82/48/70/562824870.db2.gz	APVCFVPWXZFFOD-PMACEKPBSA-N	0	3	552.592	-2.076	1	10		KACFHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@@H](O)[C@H](CO)O1	ZINC000146351057	562838494	/nfs/dbraw/zinc/83/84/94/562838494.db2.gz	MMNLCGHZNCRLMM-UYMFWZOGSA-N	0	3	559.524	-1.026	1	10		KACFHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CN2C(=O)C[C@@H](SCC[NH3+])C2=O)[C@H](O)[C@H](C)O1	ZINC000473109502	562898484	/nfs/dbraw/zinc/89/84/84/562898484.db2.gz	SLNRNHGSSKYOPA-PPVHTLLQSA-N	0	3	757.771	-1.022	1	10		KACFHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)CN2C(=O)C[C@H](SCC[NH3+])C2=O)[C@H](O)[C@H](C)O1	ZINC000473109503	562898475	/nfs/dbraw/zinc/89/84/75/562898475.db2.gz	SLNRNHGSSKYOPA-WACCGJNPSA-N	0	3	757.771	-1.022	1	10		KACFHN
NC[C@@H](N)C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@H](N)CN)cc1C2=O	ZINC000653721992	562908822	/nfs/dbraw/zinc/90/88/22/562908822.db2.gz	BSDHDQQLZAZTDH-QZTJIDSGSA-N	0	3	524.538	-2.857	1	10		KACFHN
NC[C@H](N)C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H](N)CN)cc1C2=O	ZINC000653721993	562908819	/nfs/dbraw/zinc/90/88/19/562908819.db2.gz	BSDHDQQLZAZTDH-ROUUACIJSA-N	0	3	524.538	-2.857	1	10		KACFHN
C[C@H](NC(=O)[C@@H](N)CN)C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@@H](N)CN)cc1C2=O	ZINC000653737442	562909759	/nfs/dbraw/zinc/90/97/59/562909759.db2.gz	YDOXCKTXGLKUIZ-HIGYNYDNSA-N	0	3	552.592	-2.080	1	10		KACFHN
C[C@H](NC(=O)[C@H](N)CN)C(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)[C@H](C)NC(=O)[C@H](N)CN)cc1C2=O	ZINC000653737444	562909793	/nfs/dbraw/zinc/90/97/93/562909793.db2.gz	YDOXCKTXGLKUIZ-SEEPXDQQSA-N	0	3	552.592	-2.080	1	10		KACFHN