smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCC[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]CCC[NH+](C)C)CC1	ZINC000004946097	482533053	/nfs/dbraw/zinc/53/30/53/482533053.db2.gz	WMZSUGHRPZSDLS-UHFFFAOYSA-N	4	2	370.542	-1.260	40	0		FAABLP
C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039797810	482766601	/nfs/dbraw/zinc/76/66/01/482766601.db2.gz	SHKGHIFSEAGTNL-ZMLRMANQSA-N	2	2	354.411	-1.517	40	0		FAABLP
C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000039797810	482766596	/nfs/dbraw/zinc/76/65/96/482766596.db2.gz	SHKGHIFSEAGTNL-ZMLRMANQSA-N	2	2	354.411	-1.517	40	0		FAABLP
C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000256001329	483452084	/nfs/dbraw/zinc/45/20/84/483452084.db2.gz	SHKGHIFSEAGTNL-MVWJERBFSA-N	2	2	354.411	-1.517	40	0		FAABLP
C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000256001329	483452081	/nfs/dbraw/zinc/45/20/81/483452081.db2.gz	SHKGHIFSEAGTNL-MVWJERBFSA-N	2	2	354.411	-1.517	40	0		FAABLP
C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000256001330	223001341	/nfs/dbraw/zinc/00/13/41/223001341.db2.gz	SHKGHIFSEAGTNL-WCQGTBRESA-N	2	2	354.411	-1.517	40	0		FAABLP
C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000256001330	223001338	/nfs/dbraw/zinc/00/13/38/223001338.db2.gz	SHKGHIFSEAGTNL-WCQGTBRESA-N	2	2	354.411	-1.517	40	0		FAABLP
NC(=O)C1CC[NH+](CC(=O)N2CC[C@](O)(C[NH+]3CCOCC3)C2)CC1	ZINC000257293682	482963646	/nfs/dbraw/zinc/96/36/46/482963646.db2.gz	QQRSOEIOHAYIER-KRWDZBQOSA-N	2	2	354.451	-1.521	40	0		FAABLP
NC(=O)C1CC[NH+](CC(=O)N2CC[C@@](O)(C[NH+]3CCOCC3)C2)CC1	ZINC000257293683	223053924	/nfs/dbraw/zinc/05/39/24/223053924.db2.gz	QQRSOEIOHAYIER-QGZVFWFLSA-N	2	2	354.451	-1.521	40	0		FAABLP
O=C(CN1CC[NH+](CCO)CC1)N1CC[C@](O)(C[NH+]2CCOCC2)C1	ZINC000257318512	223064266	/nfs/dbraw/zinc/06/42/66/223064266.db2.gz	VOFZXOHBHQHZQJ-KRWDZBQOSA-N	2	2	356.467	-2.108	40	0		FAABLP
O=C(CN1CC[NH+](CCO)CC1)N1CC[C@@](O)(C[NH+]2CCOCC2)C1	ZINC000257318513	223064381	/nfs/dbraw/zinc/06/43/81/223064381.db2.gz	VOFZXOHBHQHZQJ-QGZVFWFLSA-N	2	2	356.467	-2.108	40	0		FAABLP