smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C[C@@H]([NH3+])C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccc(O)cc1	ZINC000003871610	194365530	/nfs/dbraw/zinc/36/55/30/194365530.db2.gz	BHELIUBJHYAEDK-OAIUPTLZSA-N	0	1	493.542	-1.355	10	0	in-man	JAAEMN
NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000012496591	555990600	/nfs/dbraw/zinc/99/06/00/555990600.db2.gz	UEJYSALTSUZXFV-SRVKXCTJSA-N	0	1	456.504	-3.481	10	0	endogenous,in-man	JAAEMN
NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000032790236	556495171	/nfs/dbraw/zinc/49/51/71/556495171.db2.gz	UEJYSALTSUZXFV-SDDRHHMPSA-N	0	1	456.504	-3.691	10	0		JAAEMN
NCC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000032790239	556495026	/nfs/dbraw/zinc/49/50/26/556495026.db2.gz	UEJYSALTSUZXFV-GRYCIOLGSA-N	0	1	456.504	-3.691	10	0		JAAEMN
C[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000034211768	569639786	/nfs/dbraw/zinc/63/97/86/569639786.db2.gz	LNDPHUOSLCCHHY-GHYVTOPFSA-N	0	1	469.499	-2.558	10	0		JAAEMN
C[C@H](NC(=O)[C@H]([NH3+])CC(=O)[O-])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000034211770	569639827	/nfs/dbraw/zinc/63/98/27/569639827.db2.gz	LNDPHUOSLCCHHY-AHLTXXRQSA-N	0	1	469.499	-2.558	10	0		JAAEMN
NCC(=O)N[C@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000039308926	569809406	/nfs/dbraw/zinc/80/94/06/569809406.db2.gz	UEJYSALTSUZXFV-WOPDTQHZSA-N	0	1	456.504	-3.691	10	0		JAAEMN
C[N@H+]1CC[C@@]23c4c5c(O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)ccc4C[C@@H]1[C@]2(O)CC[C@@H](O)[C@@H]3O5	ZINC000077300766	569705790	/nfs/dbraw/zinc/70/57/90/569705790.db2.gz	IJMSQWNXMRYVBK-GJHYNJRRSA-N	0	1	479.482	-1.898	10	0	in-vitro	JAAEMN
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(CC1CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976482	569748372	/nfs/dbraw/zinc/74/83/72/569748372.db2.gz	HTTZOBUHCOJKCI-WREBCAICSA-N	0	1	480.562	-2.076	10	0		JAAEMN
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](CC1CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976482	569748371	/nfs/dbraw/zinc/74/83/71/569748371.db2.gz	HTTZOBUHCOJKCI-WREBCAICSA-N	0	1	480.562	-2.076	10	0		JAAEMN
C[N@@H+]1[C@@H]2C[C@@H](OC(=O)[C@H](CO[C@H]3O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]3O)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103594988	130647743	/nfs/dbraw/zinc/64/77/43/130647743.db2.gz	NIZFCRZRBBERQF-OYPVIPJJSA-N	0	1	479.482	-1.165	10	0	in-vitro	JAAEMN
C[N@H+]1[C@@H]2C[C@@H](OC(=O)[C@H](CO[C@H]3O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]3O)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12	ZINC000103594988	130647741	/nfs/dbraw/zinc/64/77/41/130647741.db2.gz	NIZFCRZRBBERQF-OYPVIPJJSA-N	0	1	479.482	-1.165	10	0	in-vitro	JAAEMN
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)N(C(C)C)C3)[C@H](O)[C@@H]1O	ZINC000108316751	569859460	/nfs/dbraw/zinc/85/94/60/569859460.db2.gz	KPXUFYIZEQLXGY-SHUFMVBLSA-N	0	1	481.550	-2.978	10	0		JAAEMN