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)(C)CC(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-]	ZINC000079046004	570396232	/nfs/dbraw/zinc/39/62/32/570396232.db2.gz	ROFKAXGIHJDNJS-UHFFFAOYSA-N	1	2	280.368	3.605	50	5		CHBALO
Cc1[nH]c(=O)cc2cc3c(cc12)-c1ccccc1[N@H+]3C	ZINC000008715874	170348773	/nfs/dbraw/zinc/34/87/73/170348773.db2.gz	BVERMWUKFFEASC-UHFFFAOYSA-N	1	2	262.312	3.894	50	5		CHBALO
Cc1[nH]c(=O)cc2cc3c(cc12)-c1ccccc1[N@@H+]3C	ZINC000008715874	170348774	/nfs/dbraw/zinc/34/87/74/170348774.db2.gz	BVERMWUKFFEASC-UHFFFAOYSA-N	1	2	262.312	3.894	50	5		CHBALO
CCOc1ccc(-c2cn3cccc(C)c3[nH+]2)cc1[N+](=O)[O-]	ZINC000000973159	566835963	/nfs/dbraw/zinc/83/59/63/566835963.db2.gz	VMIALYTZCBDAJU-UHFFFAOYSA-N	1	2	297.314	3.617	50	5		CHBALO
O=[N+]([O-])c1ccc(CSc2[nH+]cc3ccccn32)cc1	ZINC000000167777	567924028	/nfs/dbraw/zinc/92/40/28/567924028.db2.gz	XCNHEQFAYSDESN-UHFFFAOYSA-N	1	2	285.328	3.535	50	5		CHBALO
Cc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])s1	ZINC000089656312	1128416016	/nfs/dbraw/zinc/41/60/16/1128416016.db2.gz	SJMSRHJOCRLFAJ-JTQLQIEISA-N	1	2	292.360	3.521	50	5		CHBALO
Cc1cc2[nH+]cn(Cc3cccc([N+](=O)[O-])c3)c2cc1C	ZINC000025218755	566835366	/nfs/dbraw/zinc/83/53/66/566835366.db2.gz	SZOQJOXQCXEUNZ-UHFFFAOYSA-N	1	2	281.315	3.610	50	5		CHBALO
CCc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	ZINC000000349731	567927035	/nfs/dbraw/zinc/92/70/35/567927035.db2.gz	VEHUKOKYDKXQSJ-UHFFFAOYSA-N	1	2	281.315	3.555	50	5		CHBALO
O=[N+]([O-])c1ccc(-c2c[nH+]c3ccc(Cl)cn23)cc1	ZINC000005387498	567931808	/nfs/dbraw/zinc/93/18/08/567931808.db2.gz	VYTVEPHFLVIOTA-UHFFFAOYSA-N	1	2	273.679	3.563	50	5		CHBALO
Cc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])s1	ZINC000089656309	1129245329	/nfs/dbraw/zinc/24/53/29/1129245329.db2.gz	SJMSRHJOCRLFAJ-SNVBAGLBSA-N	1	2	292.360	3.521	50	5		CHBALO
Cc1ccc(C(=[NH2+])c2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000006283780	170188183	/nfs/dbraw/zinc/18/81/83/170188183.db2.gz	NOOJOFXFZHUELS-UHFFFAOYSA-N	1	2	299.286	3.536	50	5		CHBALO
Cc1cc(N2CCC[C@H](C)C2)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000021148146	567136698	/nfs/dbraw/zinc/13/66/98/567136698.db2.gz	DIOTZDGCJOWTCD-NSHDSACASA-N	1	2	285.347	3.688	50	5		CHBALO
CSc1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000000424510	570314032	/nfs/dbraw/zinc/31/40/32/570314032.db2.gz	UEKHKTWLEZZJCQ-UHFFFAOYSA-N	1	2	265.341	3.758	50	5		CHBALO
Cc1cc(N2CCC[C@@H](C)C2)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000021148143	567136378	/nfs/dbraw/zinc/13/63/78/567136378.db2.gz	DIOTZDGCJOWTCD-LLVKDONJSA-N	1	2	285.347	3.688	50	5		CHBALO
CCOc1ccc(-c2cn3cc(C)ccc3[nH+]2)cc1[N+](=O)[O-]	ZINC000068585432	570401228	/nfs/dbraw/zinc/40/12/28/570401228.db2.gz	PUAPPUHGXFDTNA-UHFFFAOYSA-N	1	2	297.314	3.617	50	5		CHBALO
COC(=O)CCCc1c2ccccc2[nH+]c2ccccc21	ZINC000003877699	570328768	/nfs/dbraw/zinc/32/87/68/570328768.db2.gz	LUXCFYTWVSSZOB-UHFFFAOYSA-N	1	2	279.339	3.884	50	5		CHBALO