smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000001638013	204014374	/nfs/dbraw/zinc/01/43/74/204014374.db2.gz	ZWQVYZXPYSYPJD-VXGBXAGGSA-N	-2	3	351.359	-0.893	40	0		FBABHL
N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000001638015	204015436	/nfs/dbraw/zinc/01/54/36/204015436.db2.gz	ZWQVYZXPYSYPJD-NWDGAFQWSA-N	-2	3	351.359	-0.893	40	0		FBABHL
COc1ccccc1NC(=O)CSc1nc([O-])c(NC(C)=O)c(=O)[n-]1	ZINC000004313506	483410006	/nfs/dbraw/zinc/41/00/06/483410006.db2.gz	FXHGLBOEFVELMK-UHFFFAOYSA-N	-2	3	364.383	-0.116	40	0		FBABHL
N[C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004545839	483411132	/nfs/dbraw/zinc/41/11/32/483411132.db2.gz	ZWQVYZXPYSYPJD-NEPJUHHUSA-N	-2	3	351.359	-0.893	40	0		FBABHL
N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004545840	204145140	/nfs/dbraw/zinc/14/51/40/204145140.db2.gz	ZWQVYZXPYSYPJD-RYUDHWBXSA-N	-2	3	351.359	-0.893	40	0		FBABHL
O=C([O-])CCN(CCC[NH+](CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-]	ZINC000031840934	208020800	/nfs/dbraw/zinc/02/08/00/208020800.db2.gz	FEJGJZLHNHPXEN-UHFFFAOYSA-N	-3	3	362.379	-0.121	40	0		FBABHL
CCOC(=O)c1sc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)nc1C	ZINC000032554018	483561257	/nfs/dbraw/zinc/56/12/57/483561257.db2.gz	AZNVRDPDNWDNRG-UHFFFAOYSA-N	-2	3	360.373	-0.194	40	0		FBABHL
Cc1nc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)sc1C(=O)N(C)C	ZINC000223284207	483886009	/nfs/dbraw/zinc/88/60/09/483886009.db2.gz	HBXXHECVTNSGDK-UHFFFAOYSA-N	-2	3	359.389	-0.669	40	0		FBABHL
Cc1nc([N-]S(=O)(=O)c2c(C)[nH]c(=O)[n-]c2=O)sc1C(=O)N(C)C	ZINC000223285515	483885928	/nfs/dbraw/zinc/88/59/28/483885928.db2.gz	PGGGDCQQXVQGAD-UHFFFAOYSA-N	-2	3	373.416	-0.361	40	0		FBABHL
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](O)[C@H](n2cc(F)c(=O)[n-]c2=O)C1	ZINC000257341108	526970829	/nfs/dbraw/zinc/97/08/29/526970829.db2.gz	ZIVSKLNBKPBIRZ-NXEZZACHSA-N	-2	3	357.338	-0.277	40	0		FBABHL