smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccccc2c([O-])c(C2=NNC(=O)C2=NNc2ccncc2)c1=O	ZINC000100353730	488494168	/nfs/dbraw/zinc/49/41/68/488494168.db2.gz	MRYQTRJYKKCSAE-UHFFFAOYSA-N	-1	1	362.349	0.941	40	30		FCEBMM
NC(=O)C1=C([O-])C[C@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O	ZINC000008651866	204337210	/nfs/dbraw/zinc/33/72/10/204337210.db2.gz	ZXFCRFYULUUSDW-JCULFZFRSA-N	-1	1	371.345	0.581	40	30		FCEBMM
CCOc1cc(/C=N/n2nnnc2N)cc(I)c1[O-]	ZINC000005336071	487487920	/nfs/dbraw/zinc/48/79/20/487487920.db2.gz	STHQCRRWPYMTAE-WLRTZDKTSA-N	-1	1	374.142	0.846	40	30		FCEBMM
O=C([O-])C1CCCN1C(=O)C(Cc1cnc[nH]1)=NC(=O)C1CCC(=O)N1	ZINC001560406110	1269202379	/nfs/dbraw/zinc/20/23/79/1269202379.db2.gz	TVBGLSZZMCTHPG-NLRSGHBVSA-N	-1	1	360.350	0.269	40	30		FCEBMM
O=C([O-])C1CCCN1C(=O)C(Cc1cnc[nH]1)=NC(=O)C1CCC(=O)N1	ZINC001560406111	1269202999	/nfs/dbraw/zinc/20/29/99/1269202999.db2.gz	TVBGLSZZMCTHPG-NYWKFCTQSA-N	-1	1	360.350	0.269	40	30		FCEBMM
CCN(CC)S(=O)(=O)c1cccc([N-]N=C(C(=O)C#N)C(=O)C#N)c1	ZINC001554503322	1268770140	/nfs/dbraw/zinc/77/01/40/1268770140.db2.gz	BQVOPMVIXQWUQO-UHFFFAOYSA-N	-1	1	361.383	0.670	40	30		FCEBMM
COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)cc1[N+](=O)[O-]	ZINC000016227651	487586033	/nfs/dbraw/zinc/58/60/33/487586033.db2.gz	LVVWCDAWHVUMBN-XPWNQWCVSA-N	-1	1	352.328	1.000	40	30		FCEBMM
COc1c([O-])c(Br)cc(C=NNc2nncn2N)c1[N+](=O)[O-]	ZINC000408729697	490354219	/nfs/dbraw/zinc/35/42/19/490354219.db2.gz	IEUUKRSZNQOXIP-QLKAYGNNSA-N	-1	1	372.139	0.823	40	30		FCEBMM
COc1ccccc1NC(=O)C(=Cn1c([O-])cc(=O)[nH]c1=S)C(C)=O	ZINC000104304404	209260556	/nfs/dbraw/zinc/26/05/56/209260556.db2.gz	FMGAAUWRLZOXBB-CSKARUKUSA-N	-1	1	361.379	0.740	40	30		FCEBMM
Cn1c2ccccc2c([O-])c(C2=NNC(=O)C2=NNc2ccccn2)c1=O	ZINC000100353736	209213602	/nfs/dbraw/zinc/21/36/02/209213602.db2.gz	YDLYORNQVDBZEW-UHFFFAOYSA-N	-1	1	362.349	0.941	40	30		FCEBMM
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000015009401	210146255	/nfs/dbraw/zinc/14/62/55/210146255.db2.gz	AXHKKSCIPXKGHG-YRNVUSSQSA-N	-1	1	360.322	0.806	40	30		FCEBMM
COc1ccc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)cc1[N+](=O)[O-]	ZINC000016227653	211156440	/nfs/dbraw/zinc/15/64/40/211156440.db2.gz	LVVWCDAWHVUMBN-GCIHHOABSA-N	-1	1	352.328	1.000	40	30		FCEBMM
Cn1c(N=NCc2ccccc2C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000002043814	484480531	/nfs/dbraw/zinc/48/05/31/484480531.db2.gz	LYTUKZARIFHVIZ-CAOOACKPSA-N	-1	1	356.342	0.115	40	30	in-vitro	FCEBMM
NC(=O)C1=C([O-])C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@@]2(O)C1=O	ZINC000104316187	222355002	/nfs/dbraw/zinc/35/50/02/222355002.db2.gz	ZXFCRFYULUUSDW-OCCIGCLGSA-N	-1	1	371.345	0.581	40	30		FCEBMM
COc1ccccc1NC(=O)C(=Cn1c([O-])cc(=O)[nH]c1=S)C(C)=O	ZINC000001637440	524580476	/nfs/dbraw/zinc/58/04/76/524580476.db2.gz	FMGAAUWRLZOXBB-NTMALXAHSA-N	-1	1	361.379	0.740	40	30		FCEBMM
NC(=O)C1=C([O-])C[C@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@@]2(O)C1=O	ZINC000008651865	487518967	/nfs/dbraw/zinc/51/89/67/487518967.db2.gz	ZXFCRFYULUUSDW-KCOIQQTGSA-N	-1	1	371.345	0.581	40	30		FCEBMM
CCN(CC)S(=O)(=O)c1ccc([N-]N=C(C(=O)C#N)C(=O)C#N)cc1	ZINC001554503626	1268769957	/nfs/dbraw/zinc/76/99/57/1268769957.db2.gz	UMGJNFWLVZIRCQ-UHFFFAOYSA-N	-1	1	361.383	0.670	40	30		FCEBMM
Cn1c(N=NCc2ccccc2C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000007996073	487511218	/nfs/dbraw/zinc/51/12/18/487511218.db2.gz	LYTUKZARIFHVIZ-IUXPMGMMSA-N	-1	1	356.342	0.115	40	30	in-vitro	FCEBMM