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)C(=CO)N(C)C=O	238799060	572151679	/nfs/dbraw/zinc/15/16/79/572151679.db2.gz	GLMRJQUYBNWMST-YFKPBYRVSA-N	0	2	159.141	-1.185	40	30		AAEBLN
[NH3+]CC(=O)ONCC(=O)[O-]	104555741	573005817	/nfs/dbraw/zinc/00/58/17/573005817.db2.gz	UGNUOHCYPLKZCK-UHFFFAOYSA-N	0	2	148.118	-1.923	40	30		AAEBLN
Cn1nc(C#N)c(=O)[nH]c1=O	1686837	169059692	/nfs/dbraw/zinc/05/96/92/169059692.db2.gz	PKJZNQYXTPSJAS-UHFFFAOYSA-N	0	2	152.113	-1.660	40	30		AAEBLN
NC1=NC(=O)NC(=O)C1=NO	101172701	169144138	/nfs/dbraw/zinc/14/41/38/169144138.db2.gz	XXVDFSPMXBAMHO-QPIMQUGISA-N	0	2	156.101	-1.367	40	30		AAEBLN
NC1=NC(=O)NC(=O)C1=NO	104156202	169145363	/nfs/dbraw/zinc/14/53/63/169145363.db2.gz	XXVDFSPMXBAMHO-UNXLUWIOSA-N	0	2	156.101	-1.367	40	30		AAEBLN
NC(=[NH2+])NC([O-])=C([N+](=O)[O-])[N+](=O)[O-]	19327428	169167412	/nfs/dbraw/zinc/16/74/12/169167412.db2.gz	OPZMCAWDWYOWOD-UHFFFAOYSA-N	0	2	191.103	-1.502	40	30		AAEBLN
NC([NH3+])(CS)C(=O)[O-]	104516199	169168150	/nfs/dbraw/zinc/16/81/50/169168150.db2.gz	HXRHNHYQRQLXQU-UHFFFAOYSA-N	0	2	136.176	-1.386	40	30		AAEBLN
NC(=[NH2+])Nc1nc2nonc2[n-]1	40175435	169168502	/nfs/dbraw/zinc/16/85/02/169168502.db2.gz	SBXRSCSUWGZUFV-UHFFFAOYSA-N	0	2	167.132	-1.149	40	30		AAEBLN
CN1C(=N)C(=NO)C(=O)NC1=O	299888337	344957212	/nfs/dbraw/zinc/95/72/12/344957212.db2.gz	FXTBDNVUTFHTTK-UHFFFAOYSA-N	0	2	170.128	-1.025	40	30		AAEBLN