smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@@H](N)C(=O)NCCNc1ccc(NCCNC(=O)[C@H]([NH3+])CCSC)c2c1C(=O)c1ccccc1C2=O	ZINC000005542834	561696285	/nfs/dbraw/zinc/69/62/85/561696285.db2.gz	BHBWSRDZPMNWRN-WOJBJXKFSA-N	1	3	586.784	1.679	1	10		KDCFHO
CSCC[C@H](N)C(=O)NCCNc1ccc(NCCNC(=O)[C@@H]([NH3+])CCSC)c2c1C(=O)c1ccccc1C2=O	ZINC000005542836	561696306	/nfs/dbraw/zinc/69/63/06/561696306.db2.gz	BHBWSRDZPMNWRN-PMACEKPBSA-N	1	3	586.784	1.679	1	10		KDCFHO
CN(C)C(=N)NC1=NC(=O)C(=Cc2ccc(N3CCC([NH2+]C[C@H](O)COc4cccc5[nH]c(=O)[nH]c54)CC3)cc2)S1	ZINC000028107261	561902458	/nfs/dbraw/zinc/90/24/58/561902458.db2.gz	VHKVLEJGDRCXNK-FVHJOOJJSA-N	1	3	578.699	1.911	1	10		KDCFHO
CNC(=O)c1cc2c(s1)c(NCCNCCO)c1c(c2NCC[NH2+]CCO)C(=O)c2ccccc2C1=O	ZINC000040394258	562074222	/nfs/dbraw/zinc/07/42/22/562074222.db2.gz	MZIXNNRIOGLSRF-UHFFFAOYSA-N	1	3	525.631	1.024	1	10		KDCFHO
CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)cc1C2=O	ZINC000042803310	562088120	/nfs/dbraw/zinc/08/81/20/562088120.db2.gz	XEYBQNZAXCGCIS-PNNQTHCFSA-N	1	3	578.670	1.318	1	10		KDCFHO
CC(C)[C@H](N)C(=O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)cc1C2=O	ZINC000044307056	562653923	/nfs/dbraw/zinc/65/39/23/562653923.db2.gz	AFLSUIPCIYCKGF-UIOOFZCWSA-N	1	3	578.670	1.318	1	10		KDCFHO
N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCCNC(=O)[C@@H]([NH3+])Cc3ccccc3)ccc1C2=O	ZINC000049823080	562686989	/nfs/dbraw/zinc/68/69/89/562686989.db2.gz	RZXMTGNUPIZJCL-ACHIHNKUSA-N	1	3	674.758	1.294	1	10		KDCFHO
N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NCCNC(=O)[C@@H]([NH3+])Cc3ccccc3)cc1C2=O	ZINC000049841396	562688302	/nfs/dbraw/zinc/68/83/02/562688302.db2.gz	DSEYICFZDIKJDX-ACHIHNKUSA-N	1	3	674.758	1.294	1	10		KDCFHO
Nc1ccc(C[C@@H]([NH3+])C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)[C@@H](N)Cc4ccc(N)cc4)cc2C3=O)cc1	ZINC000150523262	562843617	/nfs/dbraw/zinc/84/36/17/562843617.db2.gz	HOVQRJZEOLSUPW-MEKGRNQZSA-N	1	3	704.788	1.656	1	10		KDCFHO
Nc1ccc(C[C@@H](N)C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])Cc4ccc(N)cc4)cc2C3=O)cc1	ZINC000150523262	562843616	/nfs/dbraw/zinc/84/36/16/562843616.db2.gz	HOVQRJZEOLSUPW-MEKGRNQZSA-N	1	3	704.788	1.656	1	10		KDCFHO
Nc1ccc(C[C@@H](N)C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)[C@@H](N)Cc4ccc(N)cc4)cc2C3=O)cc1	ZINC000150523262	562843615	/nfs/dbraw/zinc/84/36/15/562843615.db2.gz	HOVQRJZEOLSUPW-MEKGRNQZSA-N	1	3	704.788	1.656	1	10		KDCFHO
Nc1ccc(C[C@@H](N)C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)[C@H]([NH3+])Cc4ccc(N)cc4)cc2C3=O)cc1	ZINC000150523264	562843594	/nfs/dbraw/zinc/84/35/94/562843594.db2.gz	HOVQRJZEOLSUPW-ROJLCIKYSA-N	1	3	704.788	1.656	1	10		KDCFHO
Nc1ccc(C[C@H](N)C(=O)NCCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCNC(=O)[C@@H]([NH3+])Cc4ccc(N)cc4)cc2C3=O)cc1	ZINC000150523265	562843609	/nfs/dbraw/zinc/84/36/09/562843609.db2.gz	HOVQRJZEOLSUPW-ACHIHNKUSA-N	1	3	704.788	1.656	1	10		KDCFHO