smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1CC([N+](=O)[O-])C1	757122859	673915161	/nfs/dbraw/zinc/91/51/61/673915161.db2.gz	LYCGPUYPMSQZKH-URHBZAFASA-N	0	3	159.141	0.215	50	5		ACBAHN
Cc1nc(O)c([N+](=O)[O-])c(O)n1	5156367	342999166	/nfs/dbraw/zinc/99/91/66/342999166.db2.gz	MRYKPLCGITXZRW-UHFFFAOYSA-N	0	3	171.112	0.104	50	5		ACBAHN
CCCC(COC(C)=O)[N+](=O)[O-]	3074828	167044191	/nfs/dbraw/zinc/04/41/91/167044191.db2.gz	FCADDMKZOFYITK-ZETCQYMHSA-N	0	3	175.184	0.995	50	5		ACBAHN
CCCC(COC(C)=O)[N+](=O)[O-]	3074829	167079980	/nfs/dbraw/zinc/07/99/80/167079980.db2.gz	FCADDMKZOFYITK-SSDOTTSWSA-N	0	3	175.184	0.995	50	5		ACBAHN
CCOC(=O)CCC(C)[N+](=O)[O-]	34153193	167331258	/nfs/dbraw/zinc/33/12/58/167331258.db2.gz	HSKYYRXKUNNOMT-ZCFIWIBFSA-N	0	3	175.184	0.995	50	5		ACBAHN
CCOC(=O)CCC(C)[N+](=O)[O-]	34153194	167333122	/nfs/dbraw/zinc/33/31/22/167333122.db2.gz	HSKYYRXKUNNOMT-LURJTMIESA-N	0	3	175.184	0.995	50	5		ACBAHN
CCC(COC(C)=O)[N+](=O)[O-]	1715633	167518076	/nfs/dbraw/zinc/51/80/76/167518076.db2.gz	RLBLQZQADXRYKU-LURJTMIESA-N	0	3	161.157	0.605	50	5		ACBAHN
CCC(Cn1ccnc1)[N+](=O)[O-]	1422559	167649236	/nfs/dbraw/zinc/64/92/36/167649236.db2.gz	ZGTKXSKRMXWGPW-SSDOTTSWSA-N	0	3	169.184	0.938	50	5		ACBAHN
CNCc1cc([N+](=O)[O-])nn1C	72209732	168016605	/nfs/dbraw/zinc/01/66/05/168016605.db2.gz	QIQXZXOBJQXCMD-UHFFFAOYSA-N	0	3	170.172	0.048	50	5		ACBAHN
CNCc1ccc([N+](=O)[O-])o1	37184176	168017538	/nfs/dbraw/zinc/01/75/38/168017538.db2.gz	WPJBNWPRNSFKDW-UHFFFAOYSA-N	0	3	156.141	0.907	50	5		ACBAHN
CC(CN(C)C)[N+](=O)[O-]	39077972	168341011	/nfs/dbraw/zinc/34/10/11/168341011.db2.gz	DXZMDABJBOTWTA-YFKPBYRVSA-N	0	3	132.163	0.213	50	5	in-vitro	ACBAHN
N=C(N)c1ccccc1[N+](=O)[O-]	39243736	169140728	/nfs/dbraw/zinc/14/07/28/169140728.db2.gz	JBNVRLURWDLBOD-UHFFFAOYSA-N	0	3	165.152	0.879	50	5		ACBAHN
NCc1cc([N+](=O)[O-])ccc1N	43160254	169220125	/nfs/dbraw/zinc/22/01/25/169220125.db2.gz	UZDTZHVLWHURHZ-UHFFFAOYSA-N	0	3	167.168	0.636	50	5	in-vitro	ACBAHN
NCc1cc([N+](=O)[O-])ccn1	39090990	169220609	/nfs/dbraw/zinc/22/06/09/169220609.db2.gz	IRXZAESUDRFBDZ-UHFFFAOYSA-N	0	3	153.141	0.449	50	5	in-vitro	ACBAHN
NCc1ccc(N)c([N+](=O)[O-])c1	15446049	169223789	/nfs/dbraw/zinc/22/37/89/169223789.db2.gz	VYPGEDMAENMAAQ-UHFFFAOYSA-N	0	3	167.168	0.636	50	5	in-vitro	ACBAHN
CCC(Cn1ccnc1)[N+](=O)[O-]	1422558	342945343	/nfs/dbraw/zinc/94/53/43/342945343.db2.gz	ZGTKXSKRMXWGPW-ZETCQYMHSA-N	0	3	169.184	0.938	50	5		ACBAHN
CCC(COC(C)=O)[N+](=O)[O-]	2173691	342970903	/nfs/dbraw/zinc/97/09/03/342970903.db2.gz	RLBLQZQADXRYKU-ZCFIWIBFSA-N	0	3	161.157	0.605	50	5		ACBAHN
CN(C)CCn1cc([N+](=O)[O-])cn1	74938166	343575058	/nfs/dbraw/zinc/57/50/58/343575058.db2.gz	TWXOILOJQLTRJY-UHFFFAOYSA-N	0	3	184.199	0.353	50	5		ACBAHN
CC1(C)NC(=O)CCC1[N+](=O)[O-]	253388064	344933850	/nfs/dbraw/zinc/93/38/50/344933850.db2.gz	AZLHHLQGTTXWKD-RXMQYKEDSA-N	0	3	172.184	0.320	50	5	in-vitro	ACBAHN
CC1(C)NC(=O)CCC1[N+](=O)[O-]	253388065	344934142	/nfs/dbraw/zinc/93/41/42/344934142.db2.gz	AZLHHLQGTTXWKD-YFKPBYRVSA-N	0	3	172.184	0.320	50	5	in-vitro	ACBAHN
O=[N+]([O-])c1cccc(C2=NCCN2)c1	121568	351270468	/nfs/dbraw/zinc/27/04/68/351270468.db2.gz	YSCJJOXSVFNSPY-UHFFFAOYSA-N	0	3	191.190	0.945	50	5	in-vivo	ACBAHN
O=[N+]([O-])c1ccc(C2=NCCN2)cc1	608933	351281742	/nfs/dbraw/zinc/28/17/42/351281742.db2.gz	NOPHASKLMDZCSJ-UHFFFAOYSA-N	0	3	191.190	0.945	50	5		ACBAHN
O=[N+]([O-])c1cnc2c(c1)CNCC2	34266239	351437555	/nfs/dbraw/zinc/43/75/55/351437555.db2.gz	JGYRPWPCCHANJO-UHFFFAOYSA-N	0	3	179.179	0.636	50	5	in-vitro	ACBAHN
O=[N+]([O-])c1cccc(OC2CNC2)c1	38580799	351482009	/nfs/dbraw/zinc/48/20/09/351482009.db2.gz	OBOGYFVCVNUEKT-UHFFFAOYSA-N	0	3	194.190	0.945	50	5	in-vitro	ACBAHN
CC(CN(C)C)[N+](=O)[O-]	39077973	351489013	/nfs/dbraw/zinc/48/90/13/351489013.db2.gz	DXZMDABJBOTWTA-RXMQYKEDSA-N	0	3	132.163	0.213	50	5	in-vitro	ACBAHN
O=[N+]([O-])c1ccc(OC2CNC2)nc1	42770141	351524770	/nfs/dbraw/zinc/52/47/70/351524770.db2.gz	QTSLAQHZNYRVPX-UHFFFAOYSA-N	0	3	195.178	0.340	50	5		ACBAHN
O=[N+]([O-])c1ccc(OC2CNC2)cc1	42770047	351524887	/nfs/dbraw/zinc/52/48/87/351524887.db2.gz	DPNOWKDVXBTCMX-UHFFFAOYSA-N	0	3	194.190	0.945	50	5	in-vitro	ACBAHN
O=[N+]([O-])c1ccccc1OC1CNC1	42770058	351525478	/nfs/dbraw/zinc/52/54/78/351525478.db2.gz	GQHOCWKTNHUTFL-UHFFFAOYSA-N	0	3	194.190	0.945	50	5		ACBAHN
C[C@](N)(CO)c1cccc([N+](=O)[O-])c1	95758270	351673394	/nfs/dbraw/zinc/67/33/94/351673394.db2.gz	AUTVJHZGHBFRNV-VIFPVBQESA-N	0	3	196.206	0.761	50	5		ACBAHN
C[C@@](N)(CO)c1cccc([N+](=O)[O-])c1	95748076	351673506	/nfs/dbraw/zinc/67/35/06/351673506.db2.gz	AUTVJHZGHBFRNV-SECBINFHSA-N	0	3	196.206	0.761	50	5		ACBAHN