smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000004533767	552463865	/nfs/dbraw/zinc/46/38/65/552463865.db2.gz	GGXRLUDNGFFUKI-QLDGJZPUSA-N	-3	0	638.587	-1.037	40	5		KABBRL
CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000004533768	552463860	/nfs/dbraw/zinc/46/38/60/552463860.db2.gz	GGXRLUDNGFFUKI-QSNWEANLSA-N	-3	0	638.587	-1.037	40	5		KABBRL
CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000004533769	552463858	/nfs/dbraw/zinc/46/38/58/552463858.db2.gz	GGXRLUDNGFFUKI-IDVKNYFZSA-N	-3	0	638.587	-1.037	40	5		KABBRL
CC(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C	ZINC000004533770	552463872	/nfs/dbraw/zinc/46/38/72/552463872.db2.gz	GGXRLUDNGFFUKI-OZQHCQBDSA-N	-3	0	638.587	-1.037	40	5		KABBRL
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c4ncnc5N)[C@H](O)[C@H]3O)c2cc1C	ZINC000221086295	571604184	/nfs/dbraw/zinc/60/41/84/571604184.db2.gz	VWWQXMAJTJZDQX-ZCXLIKNTSA-N	-3	0	785.557	-2.424	40	5		KABBRL