smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003917694	194366679	/nfs/dbraw/zinc/36/66/79/194366679.db2.gz	LNDPHUOSLCCHHY-PYJNHQTQSA-N	1	2	469.499	-2.558	40	0		JAABLO
C[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000003917694	194366677	/nfs/dbraw/zinc/36/66/77/194366677.db2.gz	LNDPHUOSLCCHHY-PYJNHQTQSA-N	1	2	469.499	-2.558	40	0		JAABLO
CCOC(=O)NC(=O)c1cn(CC[NH+]2CCN(c3ncnc4[nH]cnc43)CC2)c(=O)[nH]c1=O	ZINC000008652865	520972552	/nfs/dbraw/zinc/97/25/52/520972552.db2.gz	UVORGMAGKSQHDP-UHFFFAOYSA-N	1	2	457.451	-1.089	40	0		JAABLO
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CC(=O)NCC[NH+]3CCOCC3)[C@H](O)[C@@H]2O)cc1	ZINC000012603937	195048760	/nfs/dbraw/zinc/04/87/60/195048760.db2.gz	BNJYZGNBFQOIDY-KVPLUYHFSA-N	1	2	457.549	-1.399	40	0	biogenic,in-vitro	JAABLO
O=C(C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O)NCC[NH+]1CCOCC1	ZINC000012603940	195048770	/nfs/dbraw/zinc/04/87/70/195048770.db2.gz	DEOYBNZKORBCSE-OGWHTMIXSA-N	1	2	477.967	-1.054	40	0	biogenic,in-vitro	JAABLO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000015721676	555956152	/nfs/dbraw/zinc/95/61/52/555956152.db2.gz	LVPCJMUBOHOZHE-LLLJDESDSA-N	1	2	481.554	-1.604	40	0		JAABLO
CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000015721676	555956147	/nfs/dbraw/zinc/95/61/47/555956147.db2.gz	LVPCJMUBOHOZHE-LLLJDESDSA-N	1	2	481.554	-1.604	40	0		JAABLO
CN(C)c1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NCC[NH+]3CCOCC3)[C@H](O)[C@@H]2O)cc1	ZINC000020504100	522150196	/nfs/dbraw/zinc/15/01/96/522150196.db2.gz	PTIJIKHVNTURRL-IZZBFERCSA-N	1	2	450.536	-1.190	40	0	biogenic,in-vitro	JAABLO
C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)N3C[C@H](O)[C@@H](n4ccc(=O)[nH]c4=O)C3)cc2)CC1	ZINC000257315566	570143168	/nfs/dbraw/zinc/14/31/68/570143168.db2.gz	VBYSNWBPABKHPG-IRXDYDNUSA-N	1	2	463.516	-1.057	40	0		JAABLO
C[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000644163850	1067261407	/nfs/dbraw/zinc/26/14/07/1067261407.db2.gz	LNDPHUOSLCCHHY-ASEORRQLSA-N	1	2	469.499	-2.558	40	0		JAABLO
C[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000644163850	1067261398	/nfs/dbraw/zinc/26/13/98/1067261398.db2.gz	LNDPHUOSLCCHHY-ASEORRQLSA-N	1	2	469.499	-2.558	40	0		JAABLO
C[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000644163851	1067261324	/nfs/dbraw/zinc/26/13/24/1067261324.db2.gz	LNDPHUOSLCCHHY-IGHBBLSQSA-N	1	2	469.499	-2.558	40	0		JAABLO
C[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000644163851	1067261311	/nfs/dbraw/zinc/26/13/11/1067261311.db2.gz	LNDPHUOSLCCHHY-IGHBBLSQSA-N	1	2	469.499	-2.558	40	0		JAABLO