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](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)nc1)C(=O)[O-]	ZINC000027092462	563039352	/nfs/dbraw/zinc/03/93/52/563039352.db2.gz	SUKMDWJCBDXPIA-LLVKDONJSA-N	-2	0	438.374	-1.259	1	30		IAEFRL
CO/N=C(\C(=O)N[C@@H]1CN2N(C1=O)C(C(=O)[O-])=C(C(=O)[O-])C2(C)C)c1csc(N)n1	ZINC000028236568	563051967	/nfs/dbraw/zinc/05/19/67/563051967.db2.gz	ZTASRZSFQHOJTP-ANYCBVJESA-N	-2	0	438.422	-1.165	1	30		IAEFRL
CO/N=C(\C(=O)N[C@H]1CN2N(C1=O)C(C(=O)[O-])=C(C(=O)[O-])C2(C)C)c1csc(N)n1	ZINC000028236573	563051989	/nfs/dbraw/zinc/05/19/89/563051989.db2.gz	ZTASRZSFQHOJTP-YSORSLTHSA-N	-2	0	438.422	-1.165	1	30		IAEFRL
CC(C)(O/N=C(/C(=O)N[C@H]1CN(OS(=O)(=O)[O-])C1=O)c1csc(N)n1)C(=O)[O-]	ZINC000040455364	563103776	/nfs/dbraw/zinc/10/37/76/563103776.db2.gz	IUQQIRKDLUNWGN-DFXAVTMQSA-N	-2	0	437.412	-1.629	1	30		IAEFRL
CCS(=O)(=O)OC[C@H]1O[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000045338454	563131749	/nfs/dbraw/zinc/13/17/49/563131749.db2.gz	ARMSUAFWAWTENG-OZRXBMAMSA-N	-4	0	432.233	-2.613	1	30		IAEFRL
CCS(=O)(=O)OC[C@H]1O[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000045338456	563131770	/nfs/dbraw/zinc/13/17/70/563131770.db2.gz	ARMSUAFWAWTENG-UOLFYFMNSA-N	-4	0	432.233	-2.613	1	30		IAEFRL
CCCC(=O)NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000072104753	563162879	/nfs/dbraw/zinc/16/28/79/563162879.db2.gz	DAFJYMDAGHTDPZ-OUCADQQQSA-N	-2	0	431.338	-1.438	1	30		IAEFRL
C=CCO[C@]1(C(=O)[O-])C[C@H](O[P@@](C)(=O)[O-])[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	ZINC000072106060	563163002	/nfs/dbraw/zinc/16/30/02/563163002.db2.gz	VHKHQPRABCPGKJ-AOWZIMASSA-N	-2	0	427.343	-1.822	1	30		IAEFRL
C=CCO[C@]1(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO[P@@](C)(=O)[O-])O1	ZINC000072112502	563163445	/nfs/dbraw/zinc/16/34/45/563163445.db2.gz	BSTJAUBSLQGFEN-FSTWUICMSA-N	-2	0	427.343	-1.822	1	30		IAEFRL
NC1=NC(=O)C2=N[C@@H](CNc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)CNC2=N1	ZINC000103545508	291303654	/nfs/dbraw/zinc/30/36/54/291303654.db2.gz	RTDHGUYVYVOSGA-RYUDHWBXSA-O	-2	0	444.428	-1.507	1	30	biogenic,in-vitro	IAEFRL