smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OC(C)=O	ZINC000408759849	556686987	/nfs/dbraw/zinc/68/69/87/556686987.db2.gz	MVEVQHNLWIBLDR-UHFFFAOYSA-N	-1	1	430.154	0.975	40	10		ICCBMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OC(C)=O	ZINC000408759849	556686985	/nfs/dbraw/zinc/68/69/85/556686985.db2.gz	MVEVQHNLWIBLDR-UHFFFAOYSA-N	-1	1	430.154	0.975	40	10		ICCBMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCC(N)=O	ZINC000409218564	557012879	/nfs/dbraw/zinc/01/28/79/557012879.db2.gz	GCBBGBMSZBJUDA-UHFFFAOYSA-N	-1	1	428.264	0.626	40	10		ICCBMM
NC(=O)COc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409219937	557013503	/nfs/dbraw/zinc/01/35/03/557013503.db2.gz	WSEYOTVPRXTLDO-UHFFFAOYSA-N	-1	1	447.039	0.825	40	10		ICCBMM
NC(=O)COc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000409219937	557013499	/nfs/dbraw/zinc/01/34/99/557013499.db2.gz	WSEYOTVPRXTLDO-UHFFFAOYSA-N	-1	1	447.039	0.825	40	10		ICCBMM
NC(=O)COc1c(Br)cc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000409261904	557040731	/nfs/dbraw/zinc/04/07/31/557040731.db2.gz	FGKJMMARMHWMRC-UHFFFAOYSA-N	-1	1	447.039	0.825	40	10		ICCBMM
NC(=O)COc1c(Br)cc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000409261904	557040728	/nfs/dbraw/zinc/04/07/28/557040728.db2.gz	FGKJMMARMHWMRC-UHFFFAOYSA-N	-1	1	447.039	0.825	40	10		ICCBMM