smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	ZINC000014951239	553522173	/nfs/dbraw/zinc/52/21/73/553522173.db2.gz	UEVAHGMTRWGMTB-JBXUNAHCSA-N	3	0	611.748	-1.373	10	30		KAEERP
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	ZINC000027410023	561856129	/nfs/dbraw/zinc/85/61/29/561856129.db2.gz	VRNRCEAHEGWGPY-MLCQCVOFSA-N	2	0	603.769	-1.242	10	30		KAEERP
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H](C)O)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000027524397	561865702	/nfs/dbraw/zinc/86/57/02/561865702.db2.gz	NYUWDQZPQOAAII-JUKXBMAYSA-N	2	0	672.789	-4.994	10	30		KAEERP
C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000028020810	553837423	/nfs/dbraw/zinc/83/74/23/553837423.db2.gz	JOCMUACTOZLBLC-WOYTXXSLSA-N	2	0	541.654	-2.934	10	30		KAEERP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000028086303	561899154	/nfs/dbraw/zinc/89/91/54/561899154.db2.gz	NOBOBWONZWNTHO-ATIWLJMLSA-N	2	0	598.706	-3.688	10	30		KAEERP
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000028091593	561899962	/nfs/dbraw/zinc/89/99/62/561899962.db2.gz	URNLICOLPAOODU-HVTWWXFQSA-N	3	0	598.750	-2.825	10	30		KAEERP
CSCC[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000028569355	561938067	/nfs/dbraw/zinc/93/80/67/561938067.db2.gz	CDLUYDAEQVEJLI-MUGJNUQGSA-N	2	0	550.730	-1.041	10	30		KAEERP
NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O	ZINC000136940885	571449771	/nfs/dbraw/zinc/44/97/71/571449771.db2.gz	LAPUTHYQVDIYFG-HBMCJLEFSA-N	2	0	540.625	-1.871	10	30		KAEERP
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000139647254	571453164	/nfs/dbraw/zinc/45/31/64/571453164.db2.gz	GXWJQJWRHLTUKE-YXMSTPNBSA-N	3	0	559.673	-4.530	10	30		KAEERP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])CCC(N)=O)C(=O)NCC(N)=O	ZINC000196183061	571564125	/nfs/dbraw/zinc/56/41/25/571564125.db2.gz	QXUPFHUQCFYTFV-QXKUPLGCSA-N	2	0	672.770	-6.515	10	30		KAEERP
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000205328855	447631147	/nfs/dbraw/zinc/63/11/47/447631147.db2.gz	OCODLDKMMDGVIR-QAETUUGQSA-N	4	0	614.757	-4.858	10	30		KAEERP