smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](S)COP(=O)([O-])[O-]	ZINC000013518200	372832705	/nfs/dbraw/zinc/83/27/05/372832705.db2.gz	QRGVNIRPUOHVDD-SLPGGIOYSA-N	-2	0	276.203	-2.324	40	30		CAEBRL
N#Cc1cn([C@@H](CC(N)=O)C(=O)[O-])c(=O)[n-]c1=O	ZINC000504466155	303211842	/nfs/dbraw/zinc/21/18/42/303211842.db2.gz	IUIDJWRBSKMAGY-YFKPBYRVSA-N	-2	0	252.186	-1.678	40	30		CAEBRL
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000004545928	372791466	/nfs/dbraw/zinc/79/14/66/372791466.db2.gz	VFRROHXSMXFLSN-KAZBKCHUSA-N	-2	0	260.135	-3.262	40	30	in-vitro	CAEBRL
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000004545927	372792669	/nfs/dbraw/zinc/79/26/69/372792669.db2.gz	VFRROHXSMXFLSN-MOJAZDJTSA-N	-2	0	260.135	-3.262	40	30	in-vitro	CAEBRL
N#Cc1cn(CC(=O)NCC(=O)[O-])c(=O)[n-]c1=O	ZINC000504718974	374055926	/nfs/dbraw/zinc/05/59/26/374055926.db2.gz	KADFBYQMVRAFOI-UHFFFAOYSA-N	-2	0	252.186	-1.979	40	30		CAEBRL
N#Cc1cn([C@H](CC(N)=O)C(=O)[O-])c(=O)[n-]c1=O	ZINC000504466154	303212104	/nfs/dbraw/zinc/21/21/04/303212104.db2.gz	IUIDJWRBSKMAGY-RXMQYKEDSA-N	-2	0	252.186	-1.678	40	30		CAEBRL
O=C[C@H](O)[C@@H](OCC(=O)[O-])[C@H](O)[C@H](O)COCC(=O)[O-]	ZINC000149087336	373011139	/nfs/dbraw/zinc/01/11/39/373011139.db2.gz	KRHLXIXFBRDHLR-NAXOPYRSSA-N	-2	0	296.228	-3.161	40	30		CAEBRL
O=C[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000090132374	373825681	/nfs/dbraw/zinc/82/56/81/373825681.db2.gz	GBXZONVFWYCRPT-JGWLITMVSA-N	-2	0	260.135	-3.262	40	30		CAEBRL
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000004545929	372791729	/nfs/dbraw/zinc/79/17/29/372791729.db2.gz	VFRROHXSMXFLSN-JGWLITMVSA-N	-2	0	260.135	-3.262	40	30	in-vitro	CAEBRL
O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000100033330	373664088	/nfs/dbraw/zinc/66/40/88/373664088.db2.gz	VFRROHXSMXFLSN-KCDKBNATSA-N	-2	0	260.135	-3.262	40	30	in-vivo	CAEBRL
O=C([O-])c1n[nH]c(N=Nc2c([O-])[nH]c(=S)[nH]c2=O)n1	ZINC000016382822	260098905	/nfs/dbraw/zinc/09/89/05/260098905.db2.gz	PGZXDIBLKAYTQK-UHFFFAOYSA-N	-2	0	283.229	-1.358	40	30		CAEBRL