smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1OC(=O)c2c(O)c(C)c([O-])c(C=O)c2[C@H]1C	ZINC000014653244	560224010	/nfs/dbraw/zinc/22/40/10/560224010.db2.gz	MKXPEMIYFLKLRY-YFKPBYRVSA-N	-1	1	248.234	2.006	1	30	biogenic,in-vitro	BEEFMM
C=C(C)[C@@H]1Cc2c(cc([O-])c3ccc(=O)oc23)O1	ZINC000026293590	187207415	/nfs/dbraw/zinc/20/74/15/187207415.db2.gz	ZKVAWHGWTAJAEK-NSHDSACASA-N	-1	1	244.246	2.378	1	30	biogenic,in-vitro	BEEFMM
COc1ccc(N=Cc2c(C)[n-][nH]c2=O)cc1	ZINC000101862421	175050115	/nfs/dbraw/zinc/05/01/15/175050115.db2.gz	FKZNTHWJQQTYTH-NTUHNPAUSA-N	-1	1	231.255	2.183	1	30		BEEFMM
C/C=C/[C@]1(C)/C(=N\O)[C@@](C)(CCC)C(=O)N1[O-]	ZINC000005497196	187247544	/nfs/dbraw/zinc/24/75/44/187247544.db2.gz	DJKXSIULBUPHMY-DDBYLIKDSA-N	-1	1	240.303	2.189	1	30		BEEFMM
O=C1COc2c(Cl)cc(Cl)cc2N1[O-]	ZINC000035079154	132312388	/nfs/dbraw/zinc/31/23/88/132312388.db2.gz	PKKVXWRORYRCKE-UHFFFAOYSA-N	-1	1	234.038	2.108	1	30		BEEFMM
C=C(C)[C@H]1Cc2c(cc([O-])c3ccc(=O)oc23)O1	ZINC000210420015	560044173	/nfs/dbraw/zinc/04/41/73/560044173.db2.gz	ZKVAWHGWTAJAEK-LLVKDONJSA-N	-1	1	244.246	2.378	1	30	biogenic,in-vitro	BEEFMM
CCCc1[n-]c(=O)c(C#N)cc1-c1ccncc1	ZINC000027715320	187255959	/nfs/dbraw/zinc/25/59/59/187255959.db2.gz	KALBBNASERLKTK-UHFFFAOYSA-N	-1	1	239.278	2.261	1	30		BEEFMM
O=C(C#Cc1ccc(O)cc1)c1ccc([O-])cc1	ZINC000049000320	560085073	/nfs/dbraw/zinc/08/50/73/560085073.db2.gz	PYTBOJXUAJEHLW-UHFFFAOYSA-N	-1	1	238.242	2.332	1	30	biogenic,in-vitro	BEEFMM
C/C=C/[C@@]1(C)/C(=N\O)[C@@](C)(CCC)C(=O)N1[O-]	ZINC000017196182	188106768	/nfs/dbraw/zinc/10/67/68/188106768.db2.gz	DJKXSIULBUPHMY-KUYJFSOGSA-N	-1	1	240.303	2.189	1	30		BEEFMM
O=c1[nH][nH]cc1C=Nc1cc(Cl)ccc1[O-]	ZINC000101758846	183273362	/nfs/dbraw/zinc/27/33/62/183273362.db2.gz	OFHRJTPTTRSISE-UUILKARUSA-N	-1	1	237.646	2.225	1	30		BEEFMM
COc1ccccc1C([O-])=C1C(=O)CCCC1=O	ZINC000100826208	175319700	/nfs/dbraw/zinc/31/97/00/175319700.db2.gz	AMTIZMNOYSJBHY-UHFFFAOYSA-N	-1	1	246.262	2.286	1	30		BEEFMM
Cc1cc([O-])c(C=NNc2ccccc2)c(=O)o1	ZINC000008670321	178193946	/nfs/dbraw/zinc/19/39/46/178193946.db2.gz	MFCAPTDVCVBYBD-RIYZIHGNSA-N	-1	1	244.250	2.100	1	30		BEEFMM
C=C[C@]1(CC)/C(=N\O)C(CC)(CC)C(=O)N1[O-]	ZINC000017196175	187416443	/nfs/dbraw/zinc/41/64/43/187416443.db2.gz	IRSVLDUDCDYSRS-VWLVURMCSA-N	-1	1	240.303	2.189	1	30		BEEFMM