smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+][C@@H](CCc1ccccc1)[P@@](=O)([O-])O)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000096938624	563199769	/nfs/dbraw/zinc/19/97/69/563199769.db2.gz	WGYVKXQHRQXHDV-XFUTXVRSSA-N	-1	2	438.461	2.345	1	0		IEAFLM
C[C@H]([NH2+][C@@H](CCc1ccccc1)[P@](=O)([O-])O)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000096938624	563199771	/nfs/dbraw/zinc/19/97/71/563199771.db2.gz	WGYVKXQHRQXHDV-XFUTXVRSSA-N	-1	2	438.461	2.345	1	0		IEAFLM
COc1c(N2CCn3cc(C(=O)[O-])nc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21	ZINC000029123594	563074007	/nfs/dbraw/zinc/07/40/07/563074007.db2.gz	NXFRYXZHNHWMGK-UHFFFAOYSA-N	-1	2	442.403	2.097	1	0		IEAFLM
COC(=O)Nc1nc2cc([S@](=O)c3ccccc3)ccc2n1CO[P@@](=O)([O-])O	ZINC000029134851	563076146	/nfs/dbraw/zinc/07/61/46/563076146.db2.gz	LPHSMCDSQGYWPZ-NDEPHWFRSA-N	-1	2	425.359	2.448	1	0		IEAFLM
COC(=O)Nc1nc2cc([S@](=O)c3ccccc3)ccc2n1CO[P@](=O)([O-])O	ZINC000029134851	563076147	/nfs/dbraw/zinc/07/61/47/563076147.db2.gz	LPHSMCDSQGYWPZ-NDEPHWFRSA-N	-1	2	425.359	2.448	1	0		IEAFLM
CC(=O)c1c([O-])c(Cc2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c(O)c(C(C)=O)c1O	ZINC000014721974	563014927	/nfs/dbraw/zinc/01/49/27/563014927.db2.gz	OQALYYVWRAPBOC-UHFFFAOYSA-N	-1	2	432.381	2.321	1	0		IEAFLM
COc1cccc(-c2nn(-c3cccc([P@](=O)([O-])CC(=O)[O-])c3)c3nc[nH+]c(N)c23)c1	ZINC000013538683	562992626	/nfs/dbraw/zinc/99/26/26/562992626.db2.gz	YUTBKAYRQZNAQK-UHFFFAOYSA-N	-1	2	439.368	2.054	1	0		IEAFLM
O=C([O-])CCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	ZINC000039614017	563099176	/nfs/dbraw/zinc/09/91/76/563099176.db2.gz	OQUVHSGEPDBFSD-UHFFFAOYSA-N	-1	2	445.447	2.077	1	0		IEAFLM
C[N@H+](CCCSc1ccc(Cl)cc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000026748203	563036439	/nfs/dbraw/zinc/03/64/39/563036439.db2.gz	BHOLRSHAOLPRGS-UHFFFAOYSA-N	-1	2	433.787	2.146	1	0		IEAFLM
C[N@@H+](CCCSc1ccc(Cl)cc1)CCC(O)(P(=O)([O-])O)P(=O)([O-])O	ZINC000026748203	563036441	/nfs/dbraw/zinc/03/64/41/563036441.db2.gz	BHOLRSHAOLPRGS-UHFFFAOYSA-N	-1	2	433.787	2.146	1	0		IEAFLM
C[NH+](CCCSc1ccc(Cl)cc1)CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000026748203	563036442	/nfs/dbraw/zinc/03/64/42/563036442.db2.gz	BHOLRSHAOLPRGS-UHFFFAOYSA-N	-1	2	433.787	2.146	1	0		IEAFLM
C[NH+](CCCSc1ccc(Cl)cc1)CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000026748203	563036443	/nfs/dbraw/zinc/03/64/43/563036443.db2.gz	BHOLRSHAOLPRGS-UHFFFAOYSA-N	-1	2	433.787	2.146	1	0		IEAFLM
O=C1Nc2ccc(S(=O)(=O)NCCCCCCO[P@](=O)([O-])O)c3cccc1c23	ZINC000049113335	563138560	/nfs/dbraw/zinc/13/85/60/563138560.db2.gz	YCOUCZQWAPPHCR-UHFFFAOYSA-N	-1	2	428.403	2.354	1	0		IEAFLM
O=C1Nc2ccc(S(=O)(=O)NCCCCCCO[P@@](=O)([O-])O)c3cccc1c23	ZINC000049113335	563138562	/nfs/dbraw/zinc/13/85/62/563138562.db2.gz	YCOUCZQWAPPHCR-UHFFFAOYSA-N	-1	2	428.403	2.354	1	0		IEAFLM
C[C@H]([NH2+][C@H](CCc1ccccc1)[P@@](=O)([O-])O)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000096938625	563199830	/nfs/dbraw/zinc/19/98/30/563199830.db2.gz	WGYVKXQHRQXHDV-GBBGEASQSA-N	-1	2	438.461	2.345	1	0		IEAFLM
C[C@H]([NH2+][C@H](CCc1ccccc1)[P@](=O)([O-])O)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000096938625	563199831	/nfs/dbraw/zinc/19/98/31/563199831.db2.gz	WGYVKXQHRQXHDV-GBBGEASQSA-N	-1	2	438.461	2.345	1	0		IEAFLM
COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC(=O)NCC(=O)[O-]	ZINC000066113800	563159168	/nfs/dbraw/zinc/15/91/68/563159168.db2.gz	ACLUEKMKWVGRLB-UHFFFAOYSA-N	-1	2	431.353	2.061	1	0		IEAFLM
COc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc(OC)c1OC(=O)NCC(=O)[O-]	ZINC000066113800	563159169	/nfs/dbraw/zinc/15/91/69/563159169.db2.gz	ACLUEKMKWVGRLB-UHFFFAOYSA-N	-1	2	431.353	2.061	1	0		IEAFLM
COC(=O)Nc1nc2cc([S@@](=O)c3ccccc3)ccc2n1CO[P@@](=O)([O-])O	ZINC000029134848	563076072	/nfs/dbraw/zinc/07/60/72/563076072.db2.gz	LPHSMCDSQGYWPZ-MUUNZHRXSA-N	-1	2	425.359	2.448	1	0		IEAFLM
COC(=O)Nc1nc2cc([S@@](=O)c3ccccc3)ccc2n1CO[P@](=O)([O-])O	ZINC000029134848	563076074	/nfs/dbraw/zinc/07/60/74/563076074.db2.gz	LPHSMCDSQGYWPZ-MUUNZHRXSA-N	-1	2	425.359	2.448	1	0		IEAFLM
CC(C)[C@H]([NH2+]C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000001540174	562922654	/nfs/dbraw/zinc/92/26/54/562922654.db2.gz	NVOGZCACYSGYEQ-OALUTQOASA-N	-1	2	434.429	2.215	1	0		IEAFLM
CC(C)[C@H]([NH2+]C[P@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000001540174	562922655	/nfs/dbraw/zinc/92/26/55/562922655.db2.gz	NVOGZCACYSGYEQ-OALUTQOASA-N	-1	2	434.429	2.215	1	0		IEAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(-c2cccc(-c3ccccc3)c2)c1)[P@](=O)([O-])O	ZINC000013643037	562998551	/nfs/dbraw/zinc/99/85/51/562998551.db2.gz	SFGYQDTXSJEVCC-UHFFFAOYSA-O	-1	2	436.317	2.310	1	0	in-vitro	IEAFLM
O=P([O-])(O)C(O)(C[n+]1cccc(-c2cccc(-c3ccccc3)c2)c1)[P@@](=O)([O-])O	ZINC000013643037	562998549	/nfs/dbraw/zinc/99/85/49/562998549.db2.gz	SFGYQDTXSJEVCC-UHFFFAOYSA-O	-1	2	436.317	2.310	1	0	in-vitro	IEAFLM
Cc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[nH]c2nc(C)[nH+]c(N)c12	ZINC000028655617	563061307	/nfs/dbraw/zinc/06/13/07/563061307.db2.gz	ZUJRWGYGHQCQBY-ZDUSSCGKSA-N	-1	2	443.485	2.356	1	0		IEAFLM