smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCc1ccc2c(c1)/C(=N\[O-])CC2	ZINC000005769980	384130777	/nfs/dbraw/zinc/13/07/77/384130777.db2.gz	WLOBXHMMWIACON-QBFSEMIESA-N	-2	3	219.240	1.828	40	30		BDEBHL
O=C(/C(Cl)=N/[O-])c1ccc([O-])c(O)c1	ZINC000104327970	384822075	/nfs/dbraw/zinc/82/20/75/384822075.db2.gz	ZSVQBNPIBKJYIE-NTMALXAHSA-N	-2	3	215.592	1.307	40	30		BDEBHL
C/C(=N/[O-])c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000104251982	398324282	/nfs/dbraw/zinc/32/42/82/398324282.db2.gz	AUMWNWNSGZHSPB-WTKPLQERSA-N	-3	3	212.161	1.204	40	30		BDEBHL
C[C@H](Oc1ccc(C=N[O-])cc1)C(=O)[O-]	ZINC000408845254	385338976	/nfs/dbraw/zinc/33/89/76/385338976.db2.gz	LRBVOAIPBJCBTD-ZETCQYMHSA-N	-2	3	209.201	1.347	40	30		BDEBHL
C=CCSc1nc([O-])c(CC(C)C)c(=O)[n-]1	ZINC000013453773	346947604	/nfs/dbraw/zinc/94/76/04/346947604.db2.gz	ZOYAZMZPQKXFTM-UHFFFAOYSA-N	-2	3	240.328	1.952	40	30		BDEBHL
[O-]N=C(C(=N[O-])c1ccco1)c1ccco1	ZINC000254624778	527643776	/nfs/dbraw/zinc/64/37/76/527643776.db2.gz	RBOZTFPIXJBLPK-UHFFFAOYSA-N	-2	3	220.184	1.929	40	30		BDEBHL
CCOc1cc(/C=N\[O-])ccc1OCC(=O)[O-]	ZINC000013747080	535662306	/nfs/dbraw/zinc/66/23/06/535662306.db2.gz	GPUVLJMZDVIOCY-SDQBBNPISA-N	-2	3	239.227	1.357	40	30		BDEBHL
O=C1[N-]C(=S)C=C([O-])C1=Cc1ccccc1O	ZINC000005897726	188103229	/nfs/dbraw/zinc/10/32/29/188103229.db2.gz	IGHVWBWZIDAFFP-YVMONPNESA-N	-2	3	247.275	1.192	40	30		BDEBHL
CC(=NN=c1[n-]ncc2ccccc21)C(=O)[O-]	ZINC000038810990	188117585	/nfs/dbraw/zinc/11/75/85/188117585.db2.gz	CXGHHASVNBBLOU-NTUHNPAUSA-N	-2	3	230.227	1.502	40	30	world	BDEBHL
[O-]c1ccccc1C=Nn1cn[n-]c1=S	ZINC000006226854	183299968	/nfs/dbraw/zinc/29/99/68/183299968.db2.gz	DTKBVQPVUMQAPN-VZUCSPMQSA-N	-2	3	220.257	1.528	40	30		BDEBHL
[O-]/N=C(C(=N/[O-])\c1ccco1)/c1ccco1	ZINC000100012846	384608744	/nfs/dbraw/zinc/60/87/44/384608744.db2.gz	RBOZTFPIXJBLPK-HWAYABPNSA-N	-2	3	220.184	1.929	40	30		BDEBHL
C/C(=N\[O-])c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000005700830	188102953	/nfs/dbraw/zinc/10/29/53/188102953.db2.gz	AUMWNWNSGZHSPB-RUDMXATFSA-N	-3	3	212.161	1.204	40	30		BDEBHL
[O-]c1ccc(Cl)cc1CN=Nc1nnn[n-]1	ZINC000006453152	183273895	/nfs/dbraw/zinc/27/38/95/183273895.db2.gz	VJFSCMPVCARPJJ-ONNFQVAWSA-N	-2	3	238.638	1.005	40	30		BDEBHL
[O-]c1ccc(Cl)cc1CN=Nc1nn[n-]n1	ZINC000006453152	183273896	/nfs/dbraw/zinc/27/38/96/183273896.db2.gz	VJFSCMPVCARPJJ-ONNFQVAWSA-N	-2	3	238.638	1.005	40	30		BDEBHL
O=C(/C(Cl)=N\[O-])c1ccc([O-])c(O)c1	ZINC000104327968	384821347	/nfs/dbraw/zinc/82/13/47/384821347.db2.gz	ZSVQBNPIBKJYIE-CSKARUKUSA-N	-2	3	215.592	1.307	40	30		BDEBHL
CC(C)[C@H](/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000001654229	342707413	/nfs/dbraw/zinc/70/74/13/342707413.db2.gz	RUNAUAUFPNXLFO-DELQEKLWSA-N	-2	3	221.256	1.920	40	30	in-vitro	BDEBHL
Cc1ccc(-n2cc(/C=N/[O-])c(C(=O)[O-])n2)cc1	ZINC000072238889	178346069	/nfs/dbraw/zinc/34/60/69/178346069.db2.gz	HRAOZTYETNWKLI-AWNIVKPZSA-N	-2	3	245.238	1.687	40	30		BDEBHL
CCOc1ccc(/C=N/[O-])cc1C(=O)[O-]	ZINC000008324448	346675363	/nfs/dbraw/zinc/67/53/63/346675363.db2.gz	YIDYXWVFELOUKE-IZZDOVSWSA-N	-2	3	209.201	1.592	40	30		BDEBHL
COc1cc(/C=N/[O-])cc(/C=N/[O-])c1O	ZINC000100978992	384359934	/nfs/dbraw/zinc/35/99/34/384359934.db2.gz	FZBDFWKLMTWREJ-ZVSIBQGLSA-N	-2	3	210.189	1.017	40	30		BDEBHL
CC(C)[C@@H](/N=C\c1ccccc1[O-])C(=O)[O-]	ZINC000100132740	167337992	/nfs/dbraw/zinc/33/79/92/167337992.db2.gz	RUNAUAUFPNXLFO-NUBYWOLOSA-N	-2	3	221.256	1.920	40	30	in-vitro	BDEBHL
CC(C)[C@@H](/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000013099239	167338365	/nfs/dbraw/zinc/33/83/65/167338365.db2.gz	RUNAUAUFPNXLFO-ZTFCMROMSA-N	-2	3	221.256	1.920	40	30	in-vitro	BDEBHL
CC(C)[C@H](/N=C\c1ccccc1[O-])C(=O)[O-]	ZINC000013099241	188279823	/nfs/dbraw/zinc/27/98/23/188279823.db2.gz	RUNAUAUFPNXLFO-HKMIMPICSA-N	-2	3	221.256	1.920	40	30	in-vitro	BDEBHL
C[C@@H](Oc1ccc(C=N[O-])cc1)C(=O)[O-]	ZINC000408845243	385340331	/nfs/dbraw/zinc/34/03/31/385340331.db2.gz	LRBVOAIPBJCBTD-SSDOTTSWSA-N	-2	3	209.201	1.347	40	30		BDEBHL
N#Cc1c2c([n-]c(=O)c1C(=O)[O-])CCCCC2	ZINC000078549811	181078897	/nfs/dbraw/zinc/07/88/97/181078897.db2.gz	SVKTUSYVPGHCFH-UHFFFAOYSA-N	-2	3	232.239	1.214	40	30		BDEBHL
CCn1c(=O)c(/C=N/[O-])c([O-])c2ccccc21	ZINC000100192974	172132388	/nfs/dbraw/zinc/13/23/88/172132388.db2.gz	KHBNXTSEHQDEOR-NTUHNPAUSA-N	-2	3	232.239	1.535	40	30		BDEBHL