smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)[C@H](OS(=O)(=O)[O-])C(=O)N[O-]	ZINC000013587641	562995785	/nfs/dbraw/zinc/99/57/85/562995785.db2.gz	KWJWRCDEEFSKHE-AGIUHOORSA-N	-2	3	438.499	0.819	1	30		ICEFHL
CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)([O-])[O-])C(=O)[O-]	ZINC000013779370	563006111	/nfs/dbraw/zinc/00/61/11/563006111.db2.gz	LITPKWHXBVRJFG-GJZGRUSLSA-N	-3	3	432.410	0.983	1	30		ICEFHL
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CSCC(=O)[O-])C(=O)N[O-]	ZINC000027088013	563039208	/nfs/dbraw/zinc/03/92/08/563039208.db2.gz	TYJBGENTPREPBV-PMPSAXMXSA-N	-2	3	439.534	0.801	1	30		ICEFHL
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCS)NC(=O)c1cc([O-])cc(C(=O)[O-])c1	ZINC000034892322	563088425	/nfs/dbraw/zinc/08/84/25/563088425.db2.gz	AZKMWSZOGOJTPW-IAGOWNOFSA-N	-2	3	445.497	0.722	1	30		ICEFHL
NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCS)NC(=O)c1cc([O-])cc(C(=O)[O-])c1	ZINC000034892323	563088476	/nfs/dbraw/zinc/08/84/76/563088476.db2.gz	AZKMWSZOGOJTPW-DLBZAZTESA-N	-2	3	445.497	0.722	1	30		ICEFHL
N[C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)N[O-]	ZINC000035075549	563089145	/nfs/dbraw/zinc/08/91/45/563089145.db2.gz	YEJAVIRJCNETBI-ZETCQYMHSA-N	-2	3	447.998	0.977	1	30		ICEFHL
CCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049774419	563139431	/nfs/dbraw/zinc/13/94/31/563139431.db2.gz	NECNNMKXVRMGRC-FTNXOLCNSA-N	-3	3	446.397	0.773	1	30		ICEFHL
CCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[n-]1	ZINC000049774421	563139445	/nfs/dbraw/zinc/13/94/45/563139445.db2.gz	NECNNMKXVRMGRC-KCGLVANISA-N	-3	3	446.397	0.773	1	30		ICEFHL
COc1ccc(CCN(CCC(=O)N[O-])S(=O)(=O)c2ccccc2/C(N)=N\[O-])cc1	ZINC000060049701	563146949	/nfs/dbraw/zinc/14/69/49/563146949.db2.gz	KXAXKPJNJJMWPL-UHFFFAOYSA-N	-2	3	436.490	0.919	1	30		ICEFHL