smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1cc(O)c([N+](=O)[O-])cc1O	90698220	1169126874	/nfs/dbraw/zinc/12/68/74/1169126874.db2.gz	XJEIGQDDYNSAMB-UHFFFAOYSA-N	0	1	170.124	0.588	40	5		ACBBMN
C[N+](C)(C)Cc1ncccc1[O-]	159649	342929730	/nfs/dbraw/zinc/92/97/30/342929730.db2.gz	IJSURQMMOAQXMM-UHFFFAOYSA-O	0	1	167.232	0.993	40	5		ACBBMN
CC(C)[C@@H]([N+](C)(C)C)[P@](=O)([O-])O	1720884	342962229	/nfs/dbraw/zinc/96/22/29/342962229.db2.gz	WOUMCBYKXMJBKR-ZETCQYMHSA-O	0	1	196.207	0.852	40	5		ACBBMN
CCC[C@@H]([N+](C)(C)C)[P@@](=O)([O-])O	1720885	167050337	/nfs/dbraw/zinc/05/03/37/167050337.db2.gz	WCMZSTORZZHMAJ-ZETCQYMHSA-O	0	1	196.207	0.997	40	5		ACBBMN
CCC[C@@H]([N+](C)(C)C)[P@](=O)([O-])O	1720885	167050339	/nfs/dbraw/zinc/05/03/39/167050339.db2.gz	WCMZSTORZZHMAJ-ZETCQYMHSA-O	0	1	196.207	0.997	40	5		ACBBMN
CCC[C@H]([N+](C)(C)C)[P@@](=O)([O-])O	6381321	167088278	/nfs/dbraw/zinc/08/82/78/167088278.db2.gz	WCMZSTORZZHMAJ-SSDOTTSWSA-O	0	1	196.207	0.997	40	5		ACBBMN
CCC[C@H]([N+](C)(C)C)[P@](=O)([O-])O	6381321	167088281	/nfs/dbraw/zinc/08/82/81/167088281.db2.gz	WCMZSTORZZHMAJ-SSDOTTSWSA-O	0	1	196.207	0.997	40	5		ACBBMN
CNc1nc(=O)[nH]c(C)c1[N+](=O)[O-]	4085832	168070272	/nfs/dbraw/zinc/07/02/72/168070272.db2.gz	ARIDMAKFIUPVNQ-UHFFFAOYSA-N	0	1	184.155	0.028	40	5		ACBBMN
COc1cc(CO)cc([N+](=O)[O-])c1O	35708257	168233742	/nfs/dbraw/zinc/23/37/42/168233742.db2.gz	UHBLHKULNVLPSB-UHFFFAOYSA-N	0	1	199.162	0.801	40	5		ACBBMN
CSc1ncc([N+](=O)[O-])c(=O)[nH]1	34592106	168316738	/nfs/dbraw/zinc/31/67/38/168316738.db2.gz	ZHQPCZZUXLSAAB-UHFFFAOYSA-N	0	1	187.180	0.812	40	5		ACBBMN
Cn1[nH]c(=O)c2ccc([N+](=O)[O-])cc21	198709697	169028382	/nfs/dbraw/zinc/02/83/82/169028382.db2.gz	RVLYTYFKMGDGBL-UHFFFAOYSA-N	0	1	193.162	0.775	40	5		ACBBMN
N=C(N)Nc1ncccc1[N+](=O)[O-]	73241765	169138967	/nfs/dbraw/zinc/13/89/67/169138967.db2.gz	OYYKDTUIUXKOQS-UHFFFAOYSA-N	0	1	181.155	0.295	40	5		ACBBMN
NC(N)=[NH+][N-]c1ccc([N+](=O)[O-])cc1	4777502	169139231	/nfs/dbraw/zinc/13/92/31/169139231.db2.gz	NSVGMHPGXSJWGX-UHFFFAOYSA-N	0	1	195.182	0.405	40	5		ACBBMN
N=C(N)c1ccc([N+](=O)[O-])cn1	71186686	169140573	/nfs/dbraw/zinc/14/05/73/169140573.db2.gz	UMSCEAWTTFWFMB-UHFFFAOYSA-N	0	1	166.140	0.274	40	5		ACBBMN
NNc1[nH]cc([N+](=O)[O-])c2ncnc1-2	6397284	169238900	/nfs/dbraw/zinc/23/89/00/169238900.db2.gz	KLRYRSGZEWPPKU-UHFFFAOYSA-N	0	1	194.154	0.152	40	5		ACBBMN
CN(C)c1ncc([N+](=O)[O-])c(=O)[nH]1	253512451	171187652	/nfs/dbraw/zinc/18/76/52/171187652.db2.gz	UUMJRYMVEZOAOT-UHFFFAOYSA-N	0	1	184.155	0.156	40	5		ACBBMN
CC(C)[C@@H]([N+](C)(C)C)[P@@](=O)([O-])O	1720884	342962227	/nfs/dbraw/zinc/96/22/27/342962227.db2.gz	WOUMCBYKXMJBKR-ZETCQYMHSA-O	0	1	196.207	0.852	40	5		ACBBMN
CC(C)[C@H]([N+](C)(C)C)[P@@](=O)([O-])O	5963257	343010523	/nfs/dbraw/zinc/01/05/23/343010523.db2.gz	WOUMCBYKXMJBKR-SSDOTTSWSA-O	0	1	196.207	0.852	40	5		ACBBMN
CC(C)[C@H]([N+](C)(C)C)[P@](=O)([O-])O	5963257	343010526	/nfs/dbraw/zinc/01/05/26/343010526.db2.gz	WOUMCBYKXMJBKR-SSDOTTSWSA-O	0	1	196.207	0.852	40	5		ACBBMN
CCCNC(=O)c1n[nH]cc1[N+](=O)[O-]	6399636	343014360	/nfs/dbraw/zinc/01/43/60/343014360.db2.gz	LDKFIWBHVIGYNZ-UHFFFAOYSA-N	0	1	198.182	0.458	40	5		ACBBMN
Cc1c(F)c[nH]c(=O)c1[N+](=O)[O-]	21981973	343076826	/nfs/dbraw/zinc/07/68/26/343076826.db2.gz	GUGQTNXWOQVQPL-UHFFFAOYSA-N	0	1	172.115	0.731	40	5		ACBBMN
O=[N+]([O-])c1cn[nH]c1-n1cccn1	4552404	351330036	/nfs/dbraw/zinc/33/00/36/351330036.db2.gz	SDARDULPCDJYPG-UHFFFAOYSA-N	0	1	179.139	0.504	40	5		ACBBMN
O=[N+]([O-])C1CCCc2nonc21	32182542	351427851	/nfs/dbraw/zinc/42/78/51/351427851.db2.gz	DOLKJVVXLZQUFI-RXMQYKEDSA-N	0	1	169.140	0.724	40	5		ACBBMN
O=[N+]([O-])C1CCCc2nonc21	32182544	351427946	/nfs/dbraw/zinc/42/79/46/351427946.db2.gz	DOLKJVVXLZQUFI-YFKPBYRVSA-N	0	1	169.140	0.724	40	5		ACBBMN
CNCc1cc([N+](=O)[O-])n(C)n1	408716198	352158416	/nfs/dbraw/zinc/15/84/16/352158416.db2.gz	JYHIOHZYONYJNH-UHFFFAOYSA-N	0	1	170.172	0.048	40	5		ACBBMN
CCc1c[nH]c(=O)c([N+](=O)[O-])c1O	39074742	375297756	/nfs/dbraw/zinc/29/77/56/375297756.db2.gz	RFSYOTRWMVEYQC-UHFFFAOYSA-N	0	1	184.151	0.551	40	5		ACBBMN
NNc1ccc(O)c([N+](=O)[O-])c1	82401662	527281383	/nfs/dbraw/zinc/28/13/83/527281383.db2.gz	SNTUZBHTYXYGDT-UHFFFAOYSA-N	0	1	169.140	0.586	40	5		ACBBMN