smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1[O-]	ZINC000105413288	560045229	/nfs/dbraw/zinc/04/52/29/560045229.db2.gz	AKNILCMFRRDTEY-OCSZXNGSSA-N	-1	3	512.464	-2.011	40	30	biogenic,in-vitro	KAEBHM
COc1cc(C(=O)O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)ccc1[O-]	ZINC000105413293	560045200	/nfs/dbraw/zinc/04/52/00/560045200.db2.gz	AKNILCMFRRDTEY-DBQNOGCHSA-N	-1	3	512.464	-2.011	40	30	biogenic,in-vitro	KAEBHM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CC(=O)[O-])C(C)C)C(=O)[O-]	ZINC000196152141	1066218891	/nfs/dbraw/zinc/21/88/91/1066218891.db2.gz	UVPBVMCAVNABKX-GXYVSGTKSA-N	-1	3	664.761	-1.484	40	30	in-vitro	KAEBHM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CC(=O)[O-])C(C)C)C(=O)[O-]	ZINC000256005384	572304923	/nfs/dbraw/zinc/30/49/23/572304923.db2.gz	UVPBVMCAVNABKX-CGNBGOATSA-N	-1	3	664.761	-1.484	40	30		KAEBHM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CC(=O)[O-])C(C)C)C(=O)[O-]	ZINC000256005385	572304902	/nfs/dbraw/zinc/30/49/02/572304902.db2.gz	UVPBVMCAVNABKX-SAOQIDAXSA-N	-1	3	664.761	-1.484	40	30		KAEBHM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CC(=O)[O-])C(C)C)C(=O)[O-]	ZINC000256005386	572304954	/nfs/dbraw/zinc/30/49/54/572304954.db2.gz	UVPBVMCAVNABKX-UEFVNYJNSA-N	-1	3	664.761	-1.484	40	30		KAEBHM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CC(=O)[O-])C(C)C)C(=O)[O-]	ZINC000256005387	572304933	/nfs/dbraw/zinc/30/49/33/572304933.db2.gz	UVPBVMCAVNABKX-ZTXBZTNGSA-N	-1	3	664.761	-1.484	40	30		KAEBHM