smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)ccc1O	ZINC000008636777	521997085	/nfs/dbraw/zinc/99/70/85/521997085.db2.gz	BQDDVTMGVMIQMR-WOTCEWKYSA-N	0	1	431.409	-0.820	50	30		IBEAMN
Nc1ncnc2c1nc(N=NCc1ccc3c(c1)OCO3)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000008636972	556195009	/nfs/dbraw/zinc/19/50/09/556195009.db2.gz	JSYUJLQOWRYIAA-QJEFQHFMSA-N	0	1	429.393	-0.805	50	30		IBEAMN
COc1cccc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O	ZINC000008918578	569486278	/nfs/dbraw/zinc/48/62/78/569486278.db2.gz	BCAZVYQDWDEVQV-OHIHDDHQSA-N	0	1	431.409	-0.820	50	30	biogenic	IBEAMN
COc1cc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1O	ZINC000009317485	569522365	/nfs/dbraw/zinc/52/23/65/569522365.db2.gz	BQDDVTMGVMIQMR-PLCCKCANSA-N	0	1	431.409	-0.820	50	30	biogenic	IBEAMN
COc1ccc(CN=Nc2nc3c(ncnc3N)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OC	ZINC000009635865	569554655	/nfs/dbraw/zinc/55/46/55/569554655.db2.gz	VXUKDVBPBWVORY-SHMWZWEKSA-N	0	1	445.436	-0.517	50	30	biogenic	IBEAMN
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000059199328	519388498	/nfs/dbraw/zinc/38/84/98/519388498.db2.gz	XMQSOOJRRVEHRO-ULQDDVLXSA-N	0	1	434.541	-0.290	50	30		IBEAMN
Cn1c2ncc(S(=O)(=O)Nc3ccc(S(=O)(=O)CC#N)cc3)cc2c(=O)[nH]c1=O	ZINC000225606496	557750599	/nfs/dbraw/zinc/75/05/99/557750599.db2.gz	GAIQFWOTTPOLHC-UHFFFAOYSA-N	0	1	435.443	-0.280	50	30		IBEAMN
C[C@@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H](N(C)C)[C@@H]3[C@@H](O)[C@H]21	ZINC000239322021	568911231	/nfs/dbraw/zinc/91/12/31/568911231.db2.gz	JBIWCJUYHHGXTC-HDPJUZMGSA-N	0	1	444.440	-0.348	50	30		IBEAMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1O	ZINC000254628831	569209339	/nfs/dbraw/zinc/20/93/39/569209339.db2.gz	JNCRHPSBJBTLRV-LJGDNWOOSA-N	0	1	446.420	-0.306	50	30		IBEAMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1O	ZINC000254628833	569209384	/nfs/dbraw/zinc/20/93/84/569209384.db2.gz	JNCRHPSBJBTLRV-MJXUCMMTSA-N	0	1	446.420	-0.306	50	30		IBEAMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1O	ZINC000254628835	569209308	/nfs/dbraw/zinc/20/93/08/569209308.db2.gz	JNCRHPSBJBTLRV-OYUZRVEBSA-N	0	1	446.420	-0.306	50	30		IBEAMN
CCOc1ccc(C=NNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1O	ZINC000254628837	569209346	/nfs/dbraw/zinc/20/93/46/569209346.db2.gz	JNCRHPSBJBTLRV-SCFUHWHPSA-N	0	1	446.420	-0.306	50	30		IBEAMN