smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)nc1	ZINC000013491974	562990569	/nfs/dbraw/zinc/99/05/69/562990569.db2.gz	MENAYYMPBRSAAE-AWEZNQCLSA-N	-2	0	435.414	0.030	1	30	in-vitro	ICEFRL
CC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)[O-]	ZINC000013540881	562992698	/nfs/dbraw/zinc/99/26/98/562992698.db2.gz	JOZDKRPORTUAIW-KKUMJFAQSA-N	-2	0	445.538	0.310	1	30	in-vivo	ICEFRL
O=C[C@H](CC(=O)[O-])NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000013553864	562992948	/nfs/dbraw/zinc/99/29/48/562992948.db2.gz	PLGQJIHCXVKCOL-NSHDSACASA-N	-2	0	430.435	0.088	1	30		ICEFRL
C[C@@H](CCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000013553865	562993006	/nfs/dbraw/zinc/99/30/06/562993006.db2.gz	YPNGEFMUSFEBOX-RYUDHWBXSA-N	-2	0	444.462	0.334	1	30		ICEFRL
C[C@H](CCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000013553866	562992943	/nfs/dbraw/zinc/99/29/43/562992943.db2.gz	YPNGEFMUSFEBOX-NEPJUHHUSA-N	-2	0	444.462	0.334	1	30		ICEFRL
CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NC[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013779370	563006109	/nfs/dbraw/zinc/00/61/09/563006109.db2.gz	LITPKWHXBVRJFG-GJZGRUSLSA-N	-2	0	432.410	0.983	1	30		ICEFRL
CCCCCCCC(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000043352694	563120096	/nfs/dbraw/zinc/12/00/96/563120096.db2.gz	JUWBVSDLGGZQQH-SOUVJXGZSA-N	-2	0	445.513	0.848	1	30		ICEFRL
CCCCCCCC(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000043352698	563120106	/nfs/dbraw/zinc/12/01/06/563120106.db2.gz	JUWBVSDLGGZQQH-RRFJBIMHSA-N	-2	0	445.513	0.848	1	30		ICEFRL
CCCCCCCCc1cn([C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)nc1N	ZINC000049771500	563139437	/nfs/dbraw/zinc/13/94/37/563139437.db2.gz	CQZFSGSGTCMEHW-KQTLUZQSSA-N	-2	0	435.414	0.457	1	30		ICEFRL
CCCCCCCCc1cn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)nc1N	ZINC000049771501	563139463	/nfs/dbraw/zinc/13/94/63/563139463.db2.gz	CQZFSGSGTCMEHW-IXYNUQLISA-N	-2	0	435.414	0.457	1	30		ICEFRL
CCCCCCCc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049774419	563139428	/nfs/dbraw/zinc/13/94/28/563139428.db2.gz	NECNNMKXVRMGRC-FTNXOLCNSA-N	-2	0	446.397	0.773	1	30		ICEFRL
CCCCCCCc1nc2c(ncn2[C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000049774421	563139442	/nfs/dbraw/zinc/13/94/42/563139442.db2.gz	NECNNMKXVRMGRC-KCGLVANISA-N	-2	0	446.397	0.773	1	30		ICEFRL