smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)O[C@H](C=C(C)C)c1c(=O)c3c([O-])c(C=CC(C)C)c([O-])cc3oc1-2	ZINC000013414439	562986001	/nfs/dbraw/zinc/98/60/01/562986001.db2.gz	FUOITKFXHPXSCA-CPSHHHPTSA-N	-2	1	434.488	5.949	1	0	endogenous,in-man	IKAFML
C=Cc1c2oc(-c3ccc([O-])c(F)c3)nc2c(Br)c([O-])c1Br	ZINC000013583737	562994903	/nfs/dbraw/zinc/99/49/03/562994903.db2.gz	BNIOVAWOIGCLML-UHFFFAOYSA-N	-2	1	429.039	5.213	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[N-]C(=O)[C@@H](C)[P@](=O)([O-])O	ZINC000013587940	562995883	/nfs/dbraw/zinc/99/58/83/562995883.db2.gz	QCKHJKGNCCPADL-AUXRZACFSA-N	-2	1	441.549	5.746	1	0		IKAFML
O=C(c1ccccc1)c1ccc(OCc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1[O-]	ZINC000026274309	563030533	/nfs/dbraw/zinc/03/05/33/563030533.db2.gz	MTDSTNVHLGWBKL-MTJSOVHGSA-N	-2	1	447.537	5.531	1	0		IKAFML
O=C([O-])CNc1cc(Cl)c(-c2cccc3c(Br)c([O-])ccc32)c(Cl)c1	ZINC000028523084	563056209	/nfs/dbraw/zinc/05/62/09/563056209.db2.gz	SWLMBQBHXJFLIR-UHFFFAOYSA-N	-2	1	441.108	5.778	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[N-]C(=O)[C@H](C)[P@](=O)([O-])O	ZINC000013587939	562995865	/nfs/dbraw/zinc/99/58/65/562995865.db2.gz	QCKHJKGNCCPADL-YXJPSSCMSA-N	-2	1	441.549	5.746	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CC(C)(C)C	ZINC000036330310	563092842	/nfs/dbraw/zinc/09/28/42/563092842.db2.gz	UGDXEILKWUZGPO-JAFZKPNWSA-N	-2	1	438.438	6.048	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O)CC(C)(C)C	ZINC000036330310	563092843	/nfs/dbraw/zinc/09/28/43/563092843.db2.gz	UGDXEILKWUZGPO-JAFZKPNWSA-N	-2	1	438.438	6.048	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O)c1ccccc1	ZINC000013557442	562993368	/nfs/dbraw/zinc/99/33/68/562993368.db2.gz	PSDPRIXDACWPPD-USYSLJQJSA-N	-2	1	444.401	5.769	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O)c1ccccc1	ZINC000013557442	562993369	/nfs/dbraw/zinc/99/33/69/562993369.db2.gz	PSDPRIXDACWPPD-USYSLJQJSA-N	-2	1	444.401	5.769	1	0		IKAFML
C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H](CCc1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000026157374	563029186	/nfs/dbraw/zinc/02/91/86/563029186.db2.gz	AXEUOKNNJBAYHR-NMILUFOSSA-N	-2	1	428.613	6.290	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO[N-]C(=O)C[P@](=O)([O-])O	ZINC000028765904	563064051	/nfs/dbraw/zinc/06/40/51/563064051.db2.gz	ZJVHZEHEHYNPCV-YKBIRWAZSA-N	-2	1	427.522	5.358	1	0		IKAFML
O=C([O-])c1ccc(Nc2cc3ccccc3cc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000043010570	563116462	/nfs/dbraw/zinc/11/64/62/563116462.db2.gz	XSTLSVKJFYBFQB-UHFFFAOYSA-N	-2	1	436.464	5.222	1	0		IKAFML
COc1ccc2c(c1)O[C@@H](C=C(C)C)c1c(=O)c3c([O-])c(C=CC(C)C)c([O-])cc3oc1-2	ZINC000013414442	562985993	/nfs/dbraw/zinc/98/59/93/562985993.db2.gz	FUOITKFXHPXSCA-IEJURRBGSA-N	-2	1	434.488	5.949	1	0	endogenous,in-man	IKAFML
COC[P@](=O)([O-])[C@@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[P@](=O)([O-])O	ZINC000013742092	563003409	/nfs/dbraw/zinc/00/34/09/563003409.db2.gz	PLYWNJNFYQHMNE-UFKIFFLCSA-N	-2	1	436.466	5.954	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O)C1CCCC1	ZINC000040662658	563105862	/nfs/dbraw/zinc/10/58/62/563105862.db2.gz	RYHLXSPNJYOJKL-WWDVWQGPSA-N	-2	1	436.422	5.802	1	0		IKAFML
CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O)C1CCCC1	ZINC000040662658	563105864	/nfs/dbraw/zinc/10/58/64/563105864.db2.gz	RYHLXSPNJYOJKL-WWDVWQGPSA-N	-2	1	436.422	5.802	1	0		IKAFML
COC[P@](=O)([O-])[C@H](CCC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[P@](=O)([O-])O	ZINC000013742094	563003385	/nfs/dbraw/zinc/00/33/85/563003385.db2.gz	PLYWNJNFYQHMNE-WZMRZXBLSA-N	-2	1	436.466	5.954	1	0		IKAFML
C[C@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](CCc1ccccc1)C(C(=O)[O-])C(=O)[O-]	ZINC000026157367	563029210	/nfs/dbraw/zinc/02/92/10/563029210.db2.gz	AXEUOKNNJBAYHR-PPDPLCHTSA-N	-2	1	428.613	6.290	1	0		IKAFML
O=C([O-])Cc1cc(Cl)c(-c2cccc3c(Br)c([O-])ccc32)c(Cl)c1	ZINC000028522730	563056080	/nfs/dbraw/zinc/05/60/80/563056080.db2.gz	COOBJKRJONOFHD-UHFFFAOYSA-N	-2	1	426.093	5.909	1	0		IKAFML