smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1	ZINC000000042931	169176136	/nfs/dbraw/zinc/17/61/36/169176136.db2.gz	YQPLVTNWKXWQQU-UHFFFAOYSA-N	1	1	248.326	3.217	50	5		BGBAMO
CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1	ZINC000000183380	169178078	/nfs/dbraw/zinc/17/80/78/169178078.db2.gz	PMQUXAXPFASEMA-UHFFFAOYSA-N	1	1	248.326	3.217	50	5		BGBAMO
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1	ZINC000000215736	172856248	/nfs/dbraw/zinc/85/62/48/172856248.db2.gz	IGFWXWRWGQBYBT-UHFFFAOYSA-N	1	1	248.326	3.359	50	5		BGBAMO
CCC[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1	ZINC000000219374	169179789	/nfs/dbraw/zinc/17/97/89/169179789.db2.gz	SDCSQPDZHOACJX-UHFFFAOYSA-N	1	1	248.326	3.217	50	5		BGBAMO
COc1c2ccccc2[nH+]c2ccccc21	ZINC000003944976	342739766	/nfs/dbraw/zinc/73/97/66/342739766.db2.gz	ZHBWKWDAMIJZPW-UHFFFAOYSA-N	1	1	209.248	3.397	50	5		BGBAMO
C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCCC1	ZINC000004987075	384341380	/nfs/dbraw/zinc/34/13/80/384341380.db2.gz	NFRYQFGJLZEJLT-UHFFFAOYSA-N	1	1	248.326	3.359	50	5		BGBAMO
CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000004988695	344882986	/nfs/dbraw/zinc/88/29/86/344882986.db2.gz	LXNRSMAZSSVNGS-CYBMUJFWSA-N	1	1	248.326	3.359	50	5		BGBAMO
CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000004988698	344882831	/nfs/dbraw/zinc/88/28/31/344882831.db2.gz	LXNRSMAZSSVNGS-ZDUSSCGKSA-N	1	1	248.326	3.359	50	5		BGBAMO
C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000023281572	384298629	/nfs/dbraw/zinc/29/86/29/384298629.db2.gz	GDRZPWMSPDDHEA-UHFFFAOYSA-N	1	1	248.326	3.359	50	5		BGBAMO
CCCC[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000023282051	520398279	/nfs/dbraw/zinc/39/82/79/520398279.db2.gz	JLTXPXYGFAVORF-VQHVLOKHSA-N	1	1	248.326	3.340	50	5		BGBAMO
C[NH+](C)/C=C/c1ccc2ccccc2c1[N+](=O)[O-]	ZINC000052530305	172350910	/nfs/dbraw/zinc/35/09/10/172350910.db2.gz	ADLFDROCPXPTRU-MDZDMXLPSA-N	1	1	242.278	3.280	50	5		BGBAMO
CC[NH+](CC)Cc1c(Cl)cccc1[N+](=O)[O-]	ZINC000163286375	388375301	/nfs/dbraw/zinc/37/53/01/388375301.db2.gz	RMGGYKIXTGXNMK-UHFFFAOYSA-N	1	1	242.706	3.090	50	5		BGBAMO