smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCP(=O)([O-])[O-]	1530430	342946598	/nfs/dbraw/zinc/94/65/98/342946598.db2.gz	VCANKBLUHKRQLL-UHFFFAOYSA-O	-1	3	168.153	-0.130	40	5	in-vitro	ABBBHM
COc1n[n-]c([N+](=O)[O-])n1	39245318	168285046	/nfs/dbraw/zinc/28/50/46/168285046.db2.gz	UWLMHJSOAOQYSF-UHFFFAOYSA-N	-1	3	144.090	-0.279	40	5		ABBBHM
COc1nnc([N+](=O)[O-])[n-]1	39245318	168285048	/nfs/dbraw/zinc/28/50/48/168285048.db2.gz	UWLMHJSOAOQYSF-UHFFFAOYSA-N	-1	3	144.090	-0.279	40	5		ABBBHM
Cn1nc([N+](=O)[O-])c2c(=O)[n-]cnc21	3852572	169063085	/nfs/dbraw/zinc/06/30/85/169063085.db2.gz	ZZUHUUNZZRXDRR-UHFFFAOYSA-N	-1	3	195.138	-0.023	40	5		ABBBHM
Cn1nnc2c(=O)[n-]cc([N+](=O)[O-])c21	3205351	169069188	/nfs/dbraw/zinc/06/91/88/169069188.db2.gz	FJJMFCQIEWUETN-UHFFFAOYSA-N	-1	3	195.138	-0.435	40	5		ABBBHM
Nc1cc([N+](=O)[O-])c[n-]c1=O	21981962	169289092	/nfs/dbraw/zinc/28/90/92/169289092.db2.gz	WUMXEXOQVKMRQX-UHFFFAOYSA-N	-1	3	155.113	-0.135	40	5		ABBBHM
CCC(CS(=O)(=O)[O-])[N+](=O)[O-]	1672842	342956549	/nfs/dbraw/zinc/95/65/49/342956549.db2.gz	UPJUQZAOTUYIMG-BYPYZUCNSA-N	-1	3	183.185	-0.071	40	5	in-vitro	ABBBHM
CCC(CS(=O)(=O)[O-])[N+](=O)[O-]	3591821	342982505	/nfs/dbraw/zinc/98/25/05/342982505.db2.gz	UPJUQZAOTUYIMG-SCSAIBSYSA-N	-1	3	183.185	-0.071	40	5	in-vitro	ABBBHM
CC([N+](=O)[O-])S(=O)[O-]	17377272	343046271	/nfs/dbraw/zinc/04/62/71/343046271.db2.gz	LBDVNDJTDSDJKE-UWTATZPHSA-N	-1	3	139.132	-0.169	40	5		ABBBHM
O=c1[n-]cc(O)cc1[N+](=O)[O-]	8649837	351355908	/nfs/dbraw/zinc/35/59/08/351355908.db2.gz	XSEDEBLCDJQQJJ-UHFFFAOYSA-N	-1	3	156.097	-0.011	40	5		ABBBHM
O=c1c([N+](=O)[O-])c[n-]c2ncnn12	12428244	351365614	/nfs/dbraw/zinc/36/56/14/351365614.db2.gz	STOLDETZCCYJLW-UHFFFAOYSA-N	-1	3	181.111	-0.262	40	5		ABBBHM
CC([N+](=O)[O-])S(=O)[O-]	17377274	351382490	/nfs/dbraw/zinc/38/24/90/351382490.db2.gz	LBDVNDJTDSDJKE-REOHCLBHSA-N	-1	3	139.132	-0.169	40	5		ABBBHM
CN(N=O)c1n[n-]c([N+](=O)[O-])n1	95116193	631161019	/nfs/dbraw/zinc/16/10/19/631161019.db2.gz	TXEXSCZMUZAFIP-UHFFFAOYSA-N	-1	3	172.104	-0.170	40	5		ABBBHM
CN(N=O)c1nnc([N+](=O)[O-])[n-]1	95116193	631161021	/nfs/dbraw/zinc/16/10/21/631161021.db2.gz	TXEXSCZMUZAFIP-UHFFFAOYSA-N	-1	3	172.104	-0.170	40	5		ABBBHM