smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](NN=C1C(=O)[N-]C(=O)NC1=O)C(=O)[O-]	ZINC000814229455	586618736	/nfs/dbraw/zinc/61/87/36/586618736.db2.gz	ZDCYINKRWPAUJR-GSVOUGTGSA-N	-2	0	242.191	-1.839	20	30		BAEDRL
CC[C@H](NN=C1C(=O)[N-]C(=O)NC1=O)C(=O)[O-]	ZINC000814229456	586618645	/nfs/dbraw/zinc/61/86/45/586618645.db2.gz	ZDCYINKRWPAUJR-VKHMYHEASA-N	-2	0	242.191	-1.839	20	30		BAEDRL
C[C@](C#N)(CC(=O)[O-])C(=O)[N-]OCC(N)=O	ZINC000819847457	586999129	/nfs/dbraw/zinc/99/91/29/586999129.db2.gz	MJHZPMQBJHFJAU-MRVPVSSYSA-N	-2	0	229.192	-1.476	20	30		BAEDRL
C[C@@](C#N)(CC(=O)[O-])C(=O)[N-]OCC(N)=O	ZINC000819847459	586999029	/nfs/dbraw/zinc/99/90/29/586999029.db2.gz	MJHZPMQBJHFJAU-QMMMGPOBSA-N	-2	0	229.192	-1.476	20	30		BAEDRL
O=C([O-])CCNN=Cc1cn(CC(=O)[O-])nn1	ZINC000821524312	587125406	/nfs/dbraw/zinc/12/54/06/587125406.db2.gz	CEZVEXFZCMYJSF-UHFFFAOYSA-N	-2	0	241.207	-1.239	20	30		BAEDRL
C=CCS(=O)(=O)[N-]C(=O)CNC(=O)[O-]	ZINC000833377969	587711480	/nfs/dbraw/zinc/71/14/80/587711480.db2.gz	FONCXPFBWTZFHK-UHFFFAOYSA-N	-2	0	222.222	-1.114	20	30		BAEDRL
C=CCS(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863957608	589329445	/nfs/dbraw/zinc/32/94/45/589329445.db2.gz	QNRCBYYOIGHCKC-UHFFFAOYSA-N	-2	0	237.233	-1.280	20	30		BAEDRL
CC#CCS(=O)(=O)[N-]C(=O)COCC(=O)[O-]	ZINC000863959793	589329353	/nfs/dbraw/zinc/32/93/53/589329353.db2.gz	CLDWIXCVVNVJCP-UHFFFAOYSA-N	-2	0	249.244	-1.443	20	30		BAEDRL
C#CCO[N-]C(=O)C(F)C(=O)[N-]OCC#C	ZINC000869252132	589594176	/nfs/dbraw/zinc/59/41/76/589594176.db2.gz	DOICGGHMAAETES-UHFFFAOYSA-N	-2	0	228.179	-1.314	20	30		BAEDRL
C#CCN(CC(=O)[N-]OC)CC(=O)[N-]OC	ZINC000873946530	590080240	/nfs/dbraw/zinc/08/02/40/590080240.db2.gz	USZJHCCQNGRYTP-UHFFFAOYSA-N	-2	0	229.236	-1.723	20	30		BAEDRL