smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]cnc2nc3c4ccccc4c4ccccc4c3nc21	ZINC000010040184	170396184	/nfs/dbraw/zinc/39/61/84/170396184.db2.gz	OFMRBACNFSNKCU-UHFFFAOYSA-N	-1	3	298.305	3.585	40	5		CHBBHM
O=C1[N-]c2c(cccc2[N+](=O)[O-])Oc2ccc(Cl)cc21	ZINC000077285778	177248820	/nfs/dbraw/zinc/24/88/20/177248820.db2.gz	CTLPQSSEVPCYGC-UHFFFAOYSA-N	-1	3	290.662	3.606	40	5	in-vitro	CHBBHM
CC(=O)Nc1c([O-])c2ccccc2c2ccccc21	ZINC000001663946	566996430	/nfs/dbraw/zinc/99/64/30/566996430.db2.gz	AIJMSWLMFPUVKY-UHFFFAOYSA-N	-1	3	251.285	3.657	40	5		CHBBHM
CC(C)(C)c1cccc2nc3c([O-])cccc3nc21	ZINC000076495089	177029130	/nfs/dbraw/zinc/02/91/30/177029130.db2.gz	JYJCQLMXLFHCEO-UHFFFAOYSA-N	-1	3	252.317	3.786	40	5		CHBBHM
O=c1c2c(cc3oc4ccccc4c([O-])c1-3)CCCC2	ZINC000005665432	170125557	/nfs/dbraw/zinc/12/55/57/170125557.db2.gz	KOPHPPXQHXENLP-UHFFFAOYSA-N	-1	3	266.296	3.531	40	5		CHBBHM
O=c1c2ccccc2oc2cc3c(c([O-])c12)CCCC3	ZINC000005665432	170125560	/nfs/dbraw/zinc/12/55/60/170125560.db2.gz	KOPHPPXQHXENLP-UHFFFAOYSA-N	-1	3	266.296	3.531	40	5		CHBBHM
O=NN=c1ccc2cc3ccc([N-]N=O)cc3[nH]c-2c1	ZINC000006535087	170211142	/nfs/dbraw/zinc/21/11/42/170211142.db2.gz	QIDUMRSKEAAWQR-UHFFFAOYSA-N	-1	3	267.248	3.575	40	5		CHBBHM
CC(C)(C)c1cccc2nc3cccc([O-])c3nc21	ZINC000076495219	177029040	/nfs/dbraw/zinc/02/90/40/177029040.db2.gz	HIESFJWJSSUGPP-UHFFFAOYSA-N	-1	3	252.317	3.786	40	5		CHBBHM