smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c[nH]c(C=C[N+](=O)[O-])[nH+]1	142496784	541305613	/nfs/dbraw/zinc/30/56/13/541305613.db2.gz	LUGCPLXFLXRRNJ-NSCUHMNNSA-N	1	2	153.141	0.966	50	5		ACBALO
O=[N+]([O-])C=Cc1c[nH]c[nH+]1	144194253	541307805	/nfs/dbraw/zinc/30/78/05/541307805.db2.gz	VFCANXAVQUKARJ-OWOJBTEDSA-N	1	2	139.114	0.657	50	5		ACBALO
Cc1c[nH+]c(NN)c([N+](=O)[O-])c1	12471852	343031427	/nfs/dbraw/zinc/03/14/27/343031427.db2.gz	XDMWWISPNLFVGD-UHFFFAOYSA-N	1	2	168.156	0.584	50	5	in-vitro	ACBALO
CC[C@H](Cn1cc[nH+]c1)[N+](=O)[O-]	1422559	167649234	/nfs/dbraw/zinc/64/92/34/167649234.db2.gz	ZGTKXSKRMXWGPW-SSDOTTSWSA-N	1	2	169.184	0.938	50	5		ACBALO
[NH3+]Cc1ccc(O)c([N+](=O)[O-])c1	44249187	169223779	/nfs/dbraw/zinc/22/37/79/169223779.db2.gz	KIJGPVLYVMYULD-UHFFFAOYSA-N	1	2	168.152	0.759	50	5		ACBALO
NNc1cc([N+](=O)[O-])cc[nH+]1	43567544	169237427	/nfs/dbraw/zinc/23/74/27/169237427.db2.gz	QUHVJMLPHHAJHK-UHFFFAOYSA-N	1	2	154.129	0.275	50	5		ACBALO
Nc1cc(N)c([N+](=O)[O-])c[nH+]1	39135222	169288197	/nfs/dbraw/zinc/28/81/97/169288197.db2.gz	SXBHXFMYNOLWEC-UHFFFAOYSA-N	1	2	154.129	0.154	50	5		ACBALO
Nc1cc[nH+]c(N)c1[N+](=O)[O-]	19802592	169300067	/nfs/dbraw/zinc/30/00/67/169300067.db2.gz	LXNNKGSAWMJWJN-UHFFFAOYSA-N	1	2	154.129	0.154	50	5	in-vitro	ACBALO
CC[C@@H](Cn1cc[nH+]c1)[N+](=O)[O-]	1422558	342945342	/nfs/dbraw/zinc/94/53/42/342945342.db2.gz	ZGTKXSKRMXWGPW-ZETCQYMHSA-N	1	2	169.184	0.938	50	5		ACBALO
Cc1n[nH]c(-n2cc[nH+]c2)c1[N+](=O)[O-]	3832825	342984648	/nfs/dbraw/zinc/98/46/48/342984648.db2.gz	QWDFKBAHUKCFLW-UHFFFAOYSA-N	1	2	193.166	0.812	50	5		ACBALO
Cc1cc([N+](=O)[O-])c[nH+]c1NN	6255610	343013668	/nfs/dbraw/zinc/01/36/68/343013668.db2.gz	CSHKMLIZQJQZBQ-UHFFFAOYSA-N	1	2	168.156	0.584	50	5	in-vitro	ACBALO
Cc1ccc([N+](=O)[O-])c(NN)[nH+]1	34100875	343110522	/nfs/dbraw/zinc/11/05/22/343110522.db2.gz	OSIVZMJNWFJJPP-UHFFFAOYSA-N	1	2	168.156	0.584	50	5		ACBALO
C[N@@H+]1CCc2cc([N+](=O)[O-])cnc2C1	142439397	344012444	/nfs/dbraw/zinc/01/24/44/344012444.db2.gz	AAHNYSPPMXLRLD-UHFFFAOYSA-N	1	2	193.206	0.978	50	5		ACBALO
C[N@H+]1CCc2cc([N+](=O)[O-])cnc2C1	142439397	344012445	/nfs/dbraw/zinc/01/24/45/344012445.db2.gz	AAHNYSPPMXLRLD-UHFFFAOYSA-N	1	2	193.206	0.978	50	5		ACBALO