smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@@](Cn1cncn1)(OCOP(=O)([O-])[O-])c1ccc(F)cc1F	ZINC000001553335	561677479	/nfs/dbraw/zinc/67/74/79/561677479.db2.gz	SYTNEMZCCLUTNX-NPMXOYFQSA-N	-2	0	547.480	4.334	10	30	in-man	KIEERL
O=c1c(N=Nc2ccc(S(=O)(=O)[O-])cc2)c(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cs1	ZINC000013898529	561735643	/nfs/dbraw/zinc/73/56/43/561735643.db2.gz	RSNPDGKQLORZMJ-QYQHSDTDSA-N	-2	0	503.565	4.276	10	30		KIEERL
O=C1C(=O)C(C2=C(C3=C([O-])C(=O)c4ccccc4C3=O)C(=O)c3ccccc3C2=O)=C([O-])c2ccccc21	ZINC000014285564	561739049	/nfs/dbraw/zinc/73/90/49/561739049.db2.gz	XAPDKPXVZVCLPZ-UHFFFAOYSA-N	-2	0	502.434	4.145	10	30		KIEERL
O=[N+]([O-])c1ccc([N-]N=C(N=Nc2ccc(I)cc2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c([N+](=O)[O-])c1	ZINC000072131448	553642796	/nfs/dbraw/zinc/64/27/96/553642796.db2.gz	KPGWDPJPYNAZOF-ODHVPASWSA-N	-3	0	676.383	4.159	10	30	in-vitro	KIEERL
O=[N+]([O-])c1ccc(NN=C(N=Nc2ccc(I)cc2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1	ZINC000072131449	553642794	/nfs/dbraw/zinc/64/27/94/553642794.db2.gz	UXEJLWYRPAAPIP-JFQCYVCTSA-N	-2	0	631.386	4.250	10	30	in-vitro	KIEERL
C=CCOC(=O)N=C([N-]C(=O)OCC=C)NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000097943333	553768535	/nfs/dbraw/zinc/76/85/35/553768535.db2.gz	RSPFZCDVPTYBLY-XMMPIXPASA-N	-2	0	564.595	4.143	10	30		KIEERL
O=C([N-][C@H]1CCCC(=O)[N-]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000106513191	571412727	/nfs/dbraw/zinc/41/27/27/571412727.db2.gz	GXXTUTPFEPYOLJ-BYPYZUCNSA-N	-2	0	510.197	4.103	10	30		KIEERL
O=C([N-][C@@H]1CCCC(=O)[N-]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000106513196	571412790	/nfs/dbraw/zinc/41/27/90/571412790.db2.gz	GXXTUTPFEPYOLJ-SCSAIBSYSA-N	-2	0	510.197	4.103	10	30		KIEERL
O=C([N-][C@@H]1CCCC[C@H]1[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000106886538	571418506	/nfs/dbraw/zinc/41/85/06/571418506.db2.gz	BVPQBJMNLKHJNO-PHDIDXHHSA-N	-2	0	506.234	4.196	10	30		KIEERL