smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C2=NN(C)[C@H](c3ccc([N+](=O)[O-])c(O)c3)C2)cc(OC)c1OC	ZINC000049047871	205125749	/nfs/dbraw/zinc/12/57/49/205125749.db2.gz	RMDMNCRZSLDNOA-HNNXBMFYSA-N	0	2	387.392	3.107	1	5		GGBFLN
O=c1nc2n(-c3cccc(F)c3)c3ccc(C(F)(F)F)cc3cc-2c(=O)[nH]1	ZINC000028642481	221682031	/nfs/dbraw/zinc/68/20/31/221682031.db2.gz	MTXOSIIDDJPDHH-UHFFFAOYSA-N	0	2	375.281	3.337	1	5		GGBFLN
COc1nc2c(c(=O)[nH]1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@H](c1ccccc1)N2	ZINC000005542974	204138369	/nfs/dbraw/zinc/13/83/69/204138369.db2.gz	FGYQVLHXVKAVJJ-MRXNPFEDSA-N	0	2	391.387	3.364	1	5		GGBFLN
O=c1nc2n(-c3ccccc3F)c3c(cccc3C(F)(F)F)cc-2c(=O)[nH]1	ZINC000028642625	207346584	/nfs/dbraw/zinc/34/65/84/207346584.db2.gz	GPLTYGCKLHDIOO-UHFFFAOYSA-N	0	2	375.281	3.337	1	5		GGBFLN
O=c1nc2n(-c3ccccc3F)c3cc(C(F)(F)F)ccc3cc-2c(=O)[nH]1	ZINC000096286455	208302609	/nfs/dbraw/zinc/30/26/09/208302609.db2.gz	RXVPFWHBXQPMFQ-UHFFFAOYSA-N	0	2	375.281	3.337	1	5		GGBFLN
COc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)N1N=C(C)CC1=O	ZINC000098082244	208367191	/nfs/dbraw/zinc/36/71/91/208367191.db2.gz	MZUJNXSPZIVFAB-UHFFFAOYSA-N	0	2	388.383	3.221	1	5		GGBFLN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1	ZINC000103181228	208417951	/nfs/dbraw/zinc/41/79/51/208417951.db2.gz	FIXONBUFLFOCSD-UHFFFAOYSA-N	0	2	391.283	3.323	1	5		GGBFLN
COc1ccc2[nH]c3c(c2c1)c1ccccc1c(=O)n3C(=O)c1n[nH]c(=S)o1	ZINC000098082446	211378407	/nfs/dbraw/zinc/37/84/07/211378407.db2.gz	HBHYNSPQYRNENH-UHFFFAOYSA-N	0	2	392.396	3.379	1	5		GGBFLN