smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)/C(=N\N2CCOCC2)C(=O)N1	ZINC000814212878	586617897	/nfs/dbraw/zinc/61/78/97/586617897.db2.gz	NEYNFHSLLHZLKP-UHFFFAOYSA-N	-1	2	226.192	-1.959	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N/N2CCOCC2)C(=O)N1	ZINC000814212878	586617896	/nfs/dbraw/zinc/61/78/96/586617896.db2.gz	NEYNFHSLLHZLKP-UHFFFAOYSA-N	-1	2	226.192	-1.959	20	30		BAEDLM
O=C1NC(=O)C(=NN2CCOCC2)C(=O)N1	ZINC000814212878	586617895	/nfs/dbraw/zinc/61/78/95/586617895.db2.gz	NEYNFHSLLHZLKP-UHFFFAOYSA-N	-1	2	226.192	-1.959	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N/N[C@@H]2CCCOC2)C(=O)N1	ZINC000814228249	586618397	/nfs/dbraw/zinc/61/83/97/586618397.db2.gz	YPNZQDUGBBOTHP-RXMQYKEDSA-N	-1	2	240.219	-1.523	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N\N[C@@H]2CCCOC2)C(=O)N1	ZINC000814228249	586618396	/nfs/dbraw/zinc/61/83/96/586618396.db2.gz	YPNZQDUGBBOTHP-RXMQYKEDSA-N	-1	2	240.219	-1.523	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N/N[C@H]2CCCOC2)C(=O)N1	ZINC000814228250	586618456	/nfs/dbraw/zinc/61/84/56/586618456.db2.gz	YPNZQDUGBBOTHP-YFKPBYRVSA-N	-1	2	240.219	-1.523	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N\N[C@H]2CCCOC2)C(=O)N1	ZINC000814228250	586618455	/nfs/dbraw/zinc/61/84/55/586618455.db2.gz	YPNZQDUGBBOTHP-YFKPBYRVSA-N	-1	2	240.219	-1.523	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N/N[C@H]2CCSC2)C(=O)N1	ZINC000814228990	586618476	/nfs/dbraw/zinc/61/84/76/586618476.db2.gz	ORWZDHFTXAYYCO-BYPYZUCNSA-N	-1	2	242.260	-1.197	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N\N[C@H]2CCSC2)C(=O)N1	ZINC000814228990	586618475	/nfs/dbraw/zinc/61/84/75/586618475.db2.gz	ORWZDHFTXAYYCO-BYPYZUCNSA-N	-1	2	242.260	-1.197	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N/N[C@@H]2CCSC2)C(=O)N1	ZINC000814228991	586618268	/nfs/dbraw/zinc/61/82/68/586618268.db2.gz	ORWZDHFTXAYYCO-SCSAIBSYSA-N	-1	2	242.260	-1.197	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N\N[C@@H]2CCSC2)C(=O)N1	ZINC000814228991	586618267	/nfs/dbraw/zinc/61/82/67/586618267.db2.gz	ORWZDHFTXAYYCO-SCSAIBSYSA-N	-1	2	242.260	-1.197	20	30		BAEDLM
CC[C@@H](NN=C1C(=O)NC(=O)NC1=O)C(=O)[O-]	ZINC000814229455	586618737	/nfs/dbraw/zinc/61/87/37/586618737.db2.gz	ZDCYINKRWPAUJR-GSVOUGTGSA-N	-1	2	242.191	-1.839	20	30		BAEDLM
CC[C@H](NN=C1C(=O)NC(=O)NC1=O)C(=O)[O-]	ZINC000814229456	586618646	/nfs/dbraw/zinc/61/86/46/586618646.db2.gz	ZDCYINKRWPAUJR-VKHMYHEASA-N	-1	2	242.191	-1.839	20	30		BAEDLM
C#CCCn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O	ZINC000823845382	587242620	/nfs/dbraw/zinc/24/26/20/587242620.db2.gz	QCCQLYRJPBXGNN-UHFFFAOYSA-N	-1	2	246.230	-1.250	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N/NC23CC(C2)C3)C(=O)N1	ZINC000842543593	584902651	/nfs/dbraw/zinc/90/26/51/584902651.db2.gz	KDYOKQFJMNMCEO-UHFFFAOYSA-N	-1	2	222.204	-1.150	20	30		BAEDLM
O=C1[N-]C(=O)/C(=N\NC23CC(C2)C3)C(=O)N1	ZINC000842543593	584902650	/nfs/dbraw/zinc/90/26/50/584902650.db2.gz	KDYOKQFJMNMCEO-UHFFFAOYSA-N	-1	2	222.204	-1.150	20	30		BAEDLM