smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCCNC(=O)[C@@H](Cc4c[nH]c[nH+]4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758261	/nfs/dbraw/zinc/75/82/61/562758261.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCCNC(=O)[C@@H](Cc4c[nH]c[nH+]4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758260	/nfs/dbraw/zinc/75/82/60/562758260.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP
C[NH+](CCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758259	/nfs/dbraw/zinc/75/82/59/562758259.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP
C[NH+](CCCNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758258	/nfs/dbraw/zinc/75/82/58/562758258.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCCNC(=O)[C@@H](Cc4c[nH+]c[nH]4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758257	/nfs/dbraw/zinc/75/82/57/562758257.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP
C[NH+](CCC[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCCNC(=O)[C@@H](Cc4c[nH+]c[nH]4)NC(=O)CNC(=O)C[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758256	/nfs/dbraw/zinc/75/82/56/562758256.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP
C[NH+](CCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758255	/nfs/dbraw/zinc/75/82/55/562758255.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP
C[NH+](CCCNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)C[NH3+])CCCn1c(=O)c2ccc3c(=O)n(CCC[N@H+](C)CCC[NH3+])c(=O)c4ccc(c1=O)c2c34	ZINC000095545762	562758254	/nfs/dbraw/zinc/75/82/54/562758254.db2.gz	YAEXTSYZJMEFSA-GDLZYMKVSA-N	5	2	773.896	-1.910	1	5		KABFLP