smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1OC	ZINC000254746063	1422977982	/nfs/dbraw/zinc/97/79/82/1422977982.db2.gz	UNUDNCMKRGQQSP-UHFFFAOYSA-N	-2	0	344.323	2.546	50	30		EFEARL
CCOc1cc(C=NNc2ccccc2C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000011903726	211266762	/nfs/dbraw/zinc/26/67/62/211266762.db2.gz	FLSCCCRRMLCEMA-RQZCQDPDSA-N	-2	0	345.311	2.843	50	30		EFEARL
O=C([O-])COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1	ZINC000004426786	210192002	/nfs/dbraw/zinc/19/20/02/210192002.db2.gz	KXVXELNJBWKFTM-LZYBPNLTSA-N	-2	0	344.352	2.546	50	30		EFEARL
COc1ccc(C(=O)/C=C/c2c3c(ccc2C(=O)[O-])OCO3)c([O-])c1	ZINC000045951673	258015245	/nfs/dbraw/zinc/01/52/45/258015245.db2.gz	JCFLUFSBCWUMMK-GQCTYLIASA-N	-2	0	342.303	2.724	50	30		EFEARL
COc1ccc(/C=N/c2ccccc2C(=O)[O-])c(C(=O)[O-])c1OC	ZINC000002080934	295063432	/nfs/dbraw/zinc/06/34/32/295063432.db2.gz	LQVWFFBLBBKISB-GIJQJNRQSA-N	-2	0	329.308	2.851	50	30		EFEARL
O=[N+]([O-])c1cc(C=NNC(=S)Nc2ccccc2)c([O-])cc1[O-]	ZINC000016776960	527326966	/nfs/dbraw/zinc/32/69/66/527326966.db2.gz	HWJPGZWAVIJEMK-NVNXTCNLSA-N	-2	0	332.341	2.738	50	30		EFEARL
COc1cc([N+](=O)[O-])cc(/C=N/c2cc([N+](=O)[O-])cc(C)c2[O-])c1[O-]	ZINC000095482078	473213202	/nfs/dbraw/zinc/21/32/02/473213202.db2.gz	TUEUGTLHKWYJFS-FRKPEAEDSA-N	-2	0	347.283	2.982	50	30		EFEARL
COc1ccc(C=NNc2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1OC	ZINC000005071960	295063688	/nfs/dbraw/zinc/06/36/88/295063688.db2.gz	UNUDNCMKRGQQSP-GIJQJNRQSA-N	-2	0	344.323	2.546	50	30		EFEARL
O=C([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1cccnc1	ZINC000001296643	471384851	/nfs/dbraw/zinc/38/48/51/471384851.db2.gz	AODBFMRPXXWURZ-RQZCQDPDSA-N	-2	0	325.353	2.583	50	30		EFEARL
O=C([O-])c1ccc(C=Nn2c(=S)[n-]nc2-c2cccnc2)cc1	ZINC000005997276	471529439	/nfs/dbraw/zinc/52/94/39/471529439.db2.gz	AEGQVJRCMGBZGG-CAOOACKPSA-N	-2	0	325.353	2.583	50	30		EFEARL
COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([N+](=O)[O-])cc2[O-])c1[O-]	ZINC000102417399	219202006	/nfs/dbraw/zinc/20/20/06/219202006.db2.gz	KCJQLWXIALSOEL-VIZOYTHASA-N	-2	0	333.256	2.673	50	30		EFEARL
Cc1sc(NC(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])c(C#N)c1C	ZINC000005921707	210559167	/nfs/dbraw/zinc/55/91/67/210559167.db2.gz	YNFSHIZGROHSEC-UHFFFAOYSA-N	-2	0	344.348	2.885	50	30		EFEARL
O=C([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1ccncc1	ZINC000005998118	471529537	/nfs/dbraw/zinc/52/95/37/471529537.db2.gz	PVZUQWWUFOYMJY-RQZCQDPDSA-N	-2	0	325.353	2.583	50	30		EFEARL
O=C([O-])c1ccc(C=Nn2c(=S)[n-]nc2-c2ccncc2)cc1	ZINC000001299977	471385080	/nfs/dbraw/zinc/38/50/80/471385080.db2.gz	SLFZYBZXACLQBZ-RQZCQDPDSA-N	-2	0	325.353	2.583	50	30		EFEARL
O=C([O-])c1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1	ZINC000004577529	210225053	/nfs/dbraw/zinc/22/50/53/210225053.db2.gz	CAPPGCUBNONDCY-GIJQJNRQSA-N	-2	0	332.323	2.650	50	30		EFEARL
CN1C(=O)C[C@H](C(=O)[O-])S/C1=N/c1cc(Cl)c([O-])c(Cl)c1	ZINC000100262996	715210885	/nfs/dbraw/zinc/21/08/85/715210885.db2.gz	HSZYBHSAASJTTM-NKMMAWQQSA-N	-2	0	349.195	2.735	50	30		EFEARL
CN1C(=O)C[C@@H](C(=O)[O-])S/C1=N/c1cc(Cl)c([O-])c(Cl)c1	ZINC000100262999	715210999	/nfs/dbraw/zinc/21/09/99/715210999.db2.gz	HSZYBHSAASJTTM-UALOCXEDSA-N	-2	0	349.195	2.735	50	30		EFEARL
C[C@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1)C(=O)[O-]	ZINC000004226867	210146954	/nfs/dbraw/zinc/14/69/54/210146954.db2.gz	FGDVFACPAXCSFV-ZETCQYMHSA-N	-2	0	335.772	2.527	50	30		EFEARL
O=C([O-])c1cc(/C=C/C(=O)c2cc(F)ccc2[O-])c2c(c1)COCO2	ZINC000004770141	210274062	/nfs/dbraw/zinc/27/40/62/210274062.db2.gz	DYRKPVJVCHHSEL-HNQUOIGGSA-N	-2	0	344.294	2.992	50	30		EFEARL
C[C@@H](Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1)C(=O)[O-]	ZINC000004226868	210146798	/nfs/dbraw/zinc/14/67/98/210146798.db2.gz	FGDVFACPAXCSFV-SSDOTTSWSA-N	-2	0	335.772	2.527	50	30		EFEARL