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-]c(C=Cc2cccc(F)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009010332	170361379	/nfs/dbraw/zinc/36/13/79/170361379.db2.gz	XRZBOMUSLBFFEE-PLNGDYQASA-N	-2	1	277.211	1.693	50	5		CDBAML
O=C([O-])c1cc2n[n-]c(Br)c2c([N+](=O)[O-])c1	ZINC000014983796	260084510	/nfs/dbraw/zinc/08/45/10/260084510.db2.gz	XDVGNMVCHCUSLI-UHFFFAOYSA-N	-2	1	286.041	1.932	50	5		CDBAML
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])[n-]1	ZINC000023718493	359362288	/nfs/dbraw/zinc/36/22/88/359362288.db2.gz	OVUKYCLEDOZVGU-UHFFFAOYSA-N	-2	1	299.264	1.041	50	5		CDBAML
O=C1[N-]C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)S1	ZINC000034911197	304656274	/nfs/dbraw/zinc/65/62/74/304656274.db2.gz	CNQAUUWTCOSDSC-XBXARRHUSA-N	-2	1	266.234	1.624	50	5		CDBAML
O=c1[n-]c(C=Cc2ccccc2F)nc([O-])c1[N+](=O)[O-]	ZINC000015009252	364965404	/nfs/dbraw/zinc/96/54/04/364965404.db2.gz	NDIQFNZVXOWNTG-AATRIKPKSA-N	-2	1	277.211	1.693	50	5		CDBAML
O=c1[n-]c(C=Cc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000008743271	170353557	/nfs/dbraw/zinc/35/35/57/170353557.db2.gz	TUNGEXRREXLTDF-ZZXKWVIFSA-N	-2	1	277.211	1.693	50	5		CDBAML
O=C([O-])c1cc2c(=O)c3ccccc3[n-]c2oc1=O	ZINC000009397375	304228029	/nfs/dbraw/zinc/22/80/29/304228029.db2.gz	DTFBDHDLNFRHSQ-UHFFFAOYSA-N	-2	1	257.201	1.333	50	5	biogenic	CDBAML
O=c1[n-]c(C=Cc2ccc(F)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000016400310	373420157	/nfs/dbraw/zinc/42/01/57/373420157.db2.gz	TUNGEXRREXLTDF-UTCJRWHESA-N	-2	1	277.211	1.693	50	5		CDBAML