smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1OC2(C(=C([O-])c3ccc(Cl)cc3)C1=O)C(=O)NC(=O)NC2=O	ZINC000004646023	204151979	/nfs/dbraw/zinc/15/19/79/204151979.db2.gz	KXDWMFGVCYLVKQ-UHFFFAOYSA-N	-1	2	350.670	0.837	50	30		FCEALM
O=C([O-])CCCNC(=O)C[C@H]1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004291866	487475993	/nfs/dbraw/zinc/47/59/93/487475993.db2.gz	YKBIJYJHOHQUOM-LYQMGENXSA-N	-1	2	352.372	0.572	50	30		FCEALM
O=C([O-])CCCNC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004291866	487475998	/nfs/dbraw/zinc/47/59/98/487475998.db2.gz	YKBIJYJHOHQUOM-LYQMGENXSA-N	-1	2	352.372	0.572	50	30		FCEALM
O=C([O-])CNC(=O)C[C@@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O	ZINC000006536158	207145057	/nfs/dbraw/zinc/14/50/57/207145057.db2.gz	VTVWTZFYBVVYTF-QSEIOMAKSA-N	-1	2	373.394	0.680	50	30		FCEALM
O=C([O-])CNC(=O)CC1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O	ZINC000006536158	207145061	/nfs/dbraw/zinc/14/50/61/207145061.db2.gz	VTVWTZFYBVVYTF-QSEIOMAKSA-N	-1	2	373.394	0.680	50	30		FCEALM
CN(Cc1cc(C#N)ccc1F)C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000170618058	488814456	/nfs/dbraw/zinc/81/44/56/488814456.db2.gz	CSSBLLOYPCKEKT-SFHVURJKSA-N	-1	2	373.388	0.330	50	30		FCEALM
O=C([O-])CNC(=O)C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004337571	487477050	/nfs/dbraw/zinc/47/70/50/487477050.db2.gz	VPKCLIDYXFKSPK-GSAHXOTQSA-N	-1	2	360.395	0.864	50	30		FCEALM
O=C([O-])CNC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004337571	487477057	/nfs/dbraw/zinc/47/70/57/487477057.db2.gz	VPKCLIDYXFKSPK-GSAHXOTQSA-N	-1	2	360.395	0.864	50	30		FCEALM
CN(Cc1cc(C#N)ccc1F)C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O	ZINC000170618057	488814279	/nfs/dbraw/zinc/81/42/79/488814279.db2.gz	CSSBLLOYPCKEKT-GOSISDBHSA-N	-1	2	373.388	0.330	50	30		FCEALM
O=C([O-])CNC(=O)C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004337574	487477095	/nfs/dbraw/zinc/47/70/95/487477095.db2.gz	VPKCLIDYXFKSPK-AHPJCQMUSA-N	-1	2	360.395	0.864	50	30		FCEALM
O=C([O-])CNC(=O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O	ZINC000004337574	487477102	/nfs/dbraw/zinc/47/71/02/487477102.db2.gz	VPKCLIDYXFKSPK-AHPJCQMUSA-N	-1	2	360.395	0.864	50	30		FCEALM
CC(C)(CO[P@@](=O)([O-])O)[C@@H](O)C(=O)NCCC(=O)NCCS	ZINC000012495122	220000993	/nfs/dbraw/zinc/00/09/93/220000993.db2.gz	JDMUPRLRUUMCTL-VIFPVBQESA-N	-1	2	358.353	0.716	50	30	endogenous,in-man	FCEALM
CC(C)(CO[P@](=O)([O-])O)[C@@H](O)C(=O)NCCC(=O)NCCS	ZINC000012495122	220000995	/nfs/dbraw/zinc/00/09/95/220000995.db2.gz	JDMUPRLRUUMCTL-VIFPVBQESA-N	-1	2	358.353	0.716	50	30	endogenous,in-man	FCEALM
O=C([O-])CNC(=O)C[C@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O	ZINC000002668749	487470397	/nfs/dbraw/zinc/47/03/97/487470397.db2.gz	VTVWTZFYBVVYTF-WOVPGWDMSA-N	-1	2	373.394	0.680	50	30		FCEALM
O=C([O-])CNC(=O)CC1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O	ZINC000002668749	487470398	/nfs/dbraw/zinc/47/03/98/487470398.db2.gz	VTVWTZFYBVVYTF-WOVPGWDMSA-N	-1	2	373.394	0.680	50	30		FCEALM
O=C([O-])CCCNC(=O)C[C@@H]1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004291865	219561478	/nfs/dbraw/zinc/56/14/78/219561478.db2.gz	YKBIJYJHOHQUOM-MDKXCRPYSA-N	-1	2	352.372	0.572	50	30		FCEALM
O=C([O-])CCCNC(=O)CC1S/C(=N/N=C/c2ccco2)NC1=O	ZINC000004291865	219561481	/nfs/dbraw/zinc/56/14/81/219561481.db2.gz	YKBIJYJHOHQUOM-MDKXCRPYSA-N	-1	2	352.372	0.572	50	30		FCEALM
COc1ccc(Cc2nnc(NN=C3C(=O)NC(=O)NC3=O)[n-]c2=O)cc1	ZINC000027548624	524168332	/nfs/dbraw/zinc/16/83/32/524168332.db2.gz	ZYFQYYOJKPAXME-UHFFFAOYSA-N	-1	2	371.313	0.151	50	30		FCEALM