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(CCn1[n-]c(=O)c(Cl)c(Cl)c1=O)N[O-]	ZINC000005496912	170104824	/nfs/dbraw/zinc/10/48/24/170104824.db2.gz	SYJBUAIWHGLQLM-UHFFFAOYSA-N	-2	3	268.056	-0.261	40	30		CBEBHL
CN(CC(=O)N[O-])C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	ZINC000000004294	289479714	/nfs/dbraw/zinc/47/97/14/289479714.db2.gz	QKIVRALZQSUWHH-SFYZADRCSA-N	-2	3	258.274	-0.159	40	30	in-man	CBEBHL
NC1=C(Br)C(=O)c2nc(=O)[n-]c([O-])c2C1=O	ZINC000001608433	295209483	/nfs/dbraw/zinc/20/94/83/295209483.db2.gz	BUHVXQXAWWJLQQ-UHFFFAOYSA-N	-2	3	286.041	-0.993	40	30		CBEBHL
O=C1[N-]C(=S)NC(=O)C1=N[N-]c1nccs1	ZINC000038311293	419419133	/nfs/dbraw/zinc/41/91/33/419419133.db2.gz	FFVBVGXCJRGRCY-UHFFFAOYSA-N	-2	3	255.284	0.282	40	30		CBEBHL
COc1cc(/C=N/n2[n-]nnc2=N)c([N+](=O)[O-])cc1[O-]	ZINC000408729293	353926978	/nfs/dbraw/zinc/92/69/78/353926978.db2.gz	DGPUWIVHJBYNKJ-NYYWCZLTSA-N	-2	3	279.216	-0.410	40	30		CBEBHL
COc1c([O-])ccc(C(=O)[O-])c1/C=N/n1nnnc1N	ZINC000005720095	170132683	/nfs/dbraw/zinc/13/26/83/170132683.db2.gz	LACVRHMDFADSBE-UUILKARUSA-N	-2	3	278.228	-0.450	40	30		CBEBHL
O=C([O-])/C=N/[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000017062416	351346811	/nfs/dbraw/zinc/34/68/11/351346811.db2.gz	VCNVFKRVKNYDQM-WEVVVXLNSA-N	-2	3	273.226	-0.057	40	30		CBEBHL
O=C([O-])/C=N\[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005439670	170099100	/nfs/dbraw/zinc/09/91/00/170099100.db2.gz	VCNVFKRVKNYDQM-UITAMQMPSA-N	-2	3	273.226	-0.057	40	30		CBEBHL
O=c1nc2nc(NN=Cc3ccccc3[O-])[n-]nc-2c(=O)[n-]1	ZINC000006694607	326819156	/nfs/dbraw/zinc/81/91/56/326819156.db2.gz	GYPJNWCBCSEEDT-WLRTZDKTSA-N	-3	3	299.250	-0.447	40	30		CBEBHL
CC1=CC(=O)C(=Cn2c([O-])cc(=O)[n-]c2=S)C(=O)O1	ZINC000005855710	372755669	/nfs/dbraw/zinc/75/56/69/372755669.db2.gz	YNKZDUITDQXCID-GQCTYLIASA-N	-2	3	280.261	-0.467	40	30		CBEBHL