smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Cc1c2c[nH]nc2nc2c3ccc([O-])cc3oc21	ZINC000096222416	566982421	/nfs/dbraw/zinc/98/24/21/566982421.db2.gz	UVTNMEOMYAJONL-UHFFFAOYSA-N	-1	3	281.315	3.761	50	5	biogenic	CHBAHM
Cc1cc(Nc2ccc([N+](=O)[O-])cc2[O-])nc2ccccc12	ZINC000004083143	567187397	/nfs/dbraw/zinc/18/73/97/567187397.db2.gz	SOIQFRAQHUFMLN-UHFFFAOYSA-N	-1	3	295.298	3.901	50	5		CHBAHM
O=C([N-]c1ccccc1[N+](=O)[O-])c1sccc1Cl	ZINC000004542616	567869590	/nfs/dbraw/zinc/86/95/90/567869590.db2.gz	TVZGILURINMTRH-UHFFFAOYSA-N	-1	3	282.708	3.562	50	5		CHBAHM
CC(C)c1c2c[nH]nc2nc2c3ccc([O-])cc3oc21	ZINC000096221451	330437782	/nfs/dbraw/zinc/43/77/82/330437782.db2.gz	FOZHQKQMKNDSBT-UHFFFAOYSA-N	-1	3	267.288	3.686	50	5	biogenic	CHBAHM
CC(C)(C)CC(C)(C)NCc1cc([O-])ccc1[N+](=O)[O-]	ZINC000079046004	570396234	/nfs/dbraw/zinc/39/62/34/570396234.db2.gz	ROFKAXGIHJDNJS-UHFFFAOYSA-N	-1	3	280.368	3.605	50	5		CHBAHM
CC(C)c1c2cnn(C)c2nc2c3ccc([O-])cc3oc21	ZINC000253404201	570384914	/nfs/dbraw/zinc/38/49/14/570384914.db2.gz	HSMZCZUTTPJWBA-UHFFFAOYSA-N	-1	3	281.315	3.697	50	5	biogenic	CHBAHM
O=[N+]([O-])c1ccc2oc(/C=C/c3ccc([O-])cc3)nc2c1	ZINC000005027634	170057677	/nfs/dbraw/zinc/05/76/77/170057677.db2.gz	MAPBZSMGYXETSE-FPYGCLRLSA-N	-1	3	282.255	3.612	50	5		CHBAHM
O=[N+]([O-])c1ccc([N-]c2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000004577780	567871068	/nfs/dbraw/zinc/87/10/68/567871068.db2.gz	BZANWSWKCWTNOZ-UHFFFAOYSA-N	-1	3	293.666	3.900	50	5		CHBAHM
S=c1nnc2c3ccccc3c3ccccc3c2[n-]1	ZINC000006243949	170185051	/nfs/dbraw/zinc/18/50/51/170185051.db2.gz	RLIWLPICMPQBAG-UHFFFAOYSA-N	-1	3	263.325	3.620	50	5		CHBAHM
O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n([O-])c2c1	ZINC000001389344	566868649	/nfs/dbraw/zinc/86/86/49/566868649.db2.gz	JJGJDUVYOHNLGL-UHFFFAOYSA-N	-1	3	289.678	3.502	50	5		CHBAHM
O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)n([O-])c2c1	ZINC000003063711	567157783	/nfs/dbraw/zinc/15/77/83/567157783.db2.gz	BYJZPEOYJOJURF-UHFFFAOYSA-N	-1	3	289.678	3.502	50	5		CHBAHM
CC(C)Cc1c2cnn(C)c2nc2c3ccc([O-])cc3oc21	ZINC000253412627	570385372	/nfs/dbraw/zinc/38/53/72/570385372.db2.gz	RONQYDURHAOVNK-UHFFFAOYSA-N	-1	3	295.342	3.772	50	5	biogenic	CHBAHM
CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1[O-]	ZINC000002513362	567145948	/nfs/dbraw/zinc/14/59/48/567145948.db2.gz	FCGKUUOTWLWJHE-UHFFFAOYSA-N	-1	3	251.326	3.895	50	5		CHBAHM
O=[N+]([O-])c1cc([O-])cc(Nc2nc3ccccc3s2)c1	ZINC000002170669	570375204	/nfs/dbraw/zinc/37/52/04/570375204.db2.gz	SLRPRAZHBPRYES-UHFFFAOYSA-N	-1	3	287.300	3.654	50	5		CHBAHM
Cc1oc2ccc([O-])cc2c1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000539347	567942670	/nfs/dbraw/zinc/94/26/70/567942670.db2.gz	LSJQEBFYNGYQLZ-UHFFFAOYSA-N	-1	3	297.266	3.586	50	5		CHBAHM