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(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CCl	ZINC000097943358	553768549	/nfs/dbraw/zinc/76/85/49/553768549.db2.gz	JSRLQUNMFYXVQD-XSLAGTTESA-N	-1	2	587.030	-0.895	40	0		KBABLM
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CCl	ZINC000097943358	553768548	/nfs/dbraw/zinc/76/85/48/553768548.db2.gz	JSRLQUNMFYXVQD-XSLAGTTESA-N	-1	2	587.030	-0.895	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000150364334	571464391	/nfs/dbraw/zinc/46/43/91/571464391.db2.gz	KTJRIKZUUVEMMZ-QFXLSNSZSA-N	-1	2	676.664	-0.819	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000150364334	571464389	/nfs/dbraw/zinc/46/43/89/571464389.db2.gz	KTJRIKZUUVEMMZ-QFXLSNSZSA-N	-1	2	676.664	-0.819	40	0		KBABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000218126768	571603694	/nfs/dbraw/zinc/60/36/94/571603694.db2.gz	ZSZYUXBVDPGGGX-MKWLTTDUSA-N	-1	2	611.612	-0.826	40	0		KBABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000218126768	571603693	/nfs/dbraw/zinc/60/36/93/571603693.db2.gz	ZSZYUXBVDPGGGX-MKWLTTDUSA-N	-1	2	611.612	-0.826	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000644163872	1066229605	/nfs/dbraw/zinc/22/96/05/1066229605.db2.gz	KTJRIKZUUVEMMZ-PUSCERABSA-N	-1	2	676.664	-0.819	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000644163872	1066229587	/nfs/dbraw/zinc/22/95/87/1066229587.db2.gz	KTJRIKZUUVEMMZ-PUSCERABSA-N	-1	2	676.664	-0.819	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000644163873	1066229558	/nfs/dbraw/zinc/22/95/58/1066229558.db2.gz	KTJRIKZUUVEMMZ-VSNQPBSISA-N	-1	2	676.664	-0.819	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O	ZINC000644163873	1066229542	/nfs/dbraw/zinc/22/95/42/1066229542.db2.gz	KTJRIKZUUVEMMZ-VSNQPBSISA-N	-1	2	676.664	-0.819	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000644163874	1066230377	/nfs/dbraw/zinc/23/03/77/1066230377.db2.gz	KTJRIKZUUVEMMZ-ZSNSBKFGSA-N	-1	2	676.664	-0.819	40	0		KBABLM
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O	ZINC000644163874	1066230361	/nfs/dbraw/zinc/23/03/61/1066230361.db2.gz	KTJRIKZUUVEMMZ-ZSNSBKFGSA-N	-1	2	676.664	-0.819	40	0		KBABLM