smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2c([nH]c1=NN)n(C)c(=O)[nH]c2=O	ZINC000000340932	355894726	/nfs/dbraw/zinc/89/47/26/355894726.db2.gz	QKWUSELXJUMWCU-UHFFFAOYSA-N	0	1	236.235	-1.105	50	30		BAEAMN
CNC(=O)c1nc[nH]c1N=Nc1c(N)[nH][nH]c1=N	ZINC000004478075	173313683	/nfs/dbraw/zinc/31/36/83/173313683.db2.gz	VTRRSJFCZNVJSG-UHFFFAOYSA-N	0	1	249.238	-1.400	50	30		BAEAMN
N=c1[nH][nH]c(N)c1N=Nc1[nH]cnc1C(N)=O	ZINC000004478076	181208242	/nfs/dbraw/zinc/20/82/42/181208242.db2.gz	NNYOWKCDWIUKHF-UHFFFAOYSA-N	0	1	235.211	-1.661	50	30		BAEAMN
Cn1[nH]c(=N)c(N=Nc2[nH]cnc2C(N)=O)c1N	ZINC000004478077	173203441	/nfs/dbraw/zinc/20/34/41/173203441.db2.gz	NQBCQTUEMTUTEV-POKAJMIASA-N	0	1	249.238	-1.319	50	30		BAEAMN
O=[N+]([O-])N=C1N[C@@H]2Nc3nonc3N[C@H]2N1	ZINC000004552124	346604111	/nfs/dbraw/zinc/60/41/11/346604111.db2.gz	WGSCVAKZPHPRBU-LWMBPPNESA-N	0	1	226.156	-1.700	50	30		BAEAMN
O=[N+]([O-])N=C1N[C@H]2Nc3nonc3N[C@@H]2N1	ZINC000004552127	346604123	/nfs/dbraw/zinc/60/41/23/346604123.db2.gz	WGSCVAKZPHPRBU-JCYAYHJZSA-N	0	1	226.156	-1.700	50	30		BAEAMN
CNc1nc(N)[nH]c(=O)c1N(C=O)CC#N	ZINC000004938765	384092020	/nfs/dbraw/zinc/09/20/20/384092020.db2.gz	LPUSRIBHPRQBIH-UHFFFAOYSA-N	0	1	222.208	-1.120	50	30		BAEAMN
Cc1[nH]c(=O)[nH]c(=O)c1C=NNC1=NCCN1	ZINC000004964723	342755355	/nfs/dbraw/zinc/75/53/55/342755355.db2.gz	NQOFZNWKDBPURW-UUILKARUSA-N	0	1	236.235	-1.746	50	30		BAEAMN
C#CCOC[C@H](O)CN1CCN(CCO)CC1	ZINC000022805066	342808460	/nfs/dbraw/zinc/80/84/60/342808460.db2.gz	JPOYETZTLHOZFX-GFCCVEGCSA-N	0	1	242.319	-1.393	50	30		BAEAMN
C#CCOC[C@@H](O)CN1CCN(CCO)CC1	ZINC000022805072	384231386	/nfs/dbraw/zinc/23/13/86/384231386.db2.gz	JPOYETZTLHOZFX-LBPRGKRZSA-N	0	1	242.319	-1.393	50	30		BAEAMN
NC(=O)NC(=O)C[n+]1cccc(/C=N/[O-])c1	ZINC000100091399	181255634	/nfs/dbraw/zinc/25/56/34/181255634.db2.gz	NMIFSADJWWHLDV-NYYWCZLTSA-O	0	1	223.212	-1.023	50	30		BAEAMN