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]([NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000004533758	557564269	/nfs/dbraw/zinc/56/42/69/557564269.db2.gz	VENMDXUVHSKEIN-GUBZILKMSA-N	2	0	417.471	-4.113	40	0		HAABRP
CO[C@H]1[C@@H](O)[C@H]([NH3+])[C@@H](O[C@H]2O[C@H]([C@H](C)[NH3+])CC[C@H]2[NH3+])[C@H](O)[C@@H]1N(C)C(=O)C[NH3+]	ZINC000004654843	557576285	/nfs/dbraw/zinc/57/62/85/557576285.db2.gz	BIDUPMYXGFNAEJ-APGVDKLISA-N	4	0	405.496	-3.585	40	0	in-man	HAABRP
NC(=[NH2+])NCCCC[C@H](O)CC(=O)N[C@H](O)C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000005518734	557659392	/nfs/dbraw/zinc/65/93/92/557659392.db2.gz	GDVNLLJNADMLLR-XJKSGUPXSA-N	3	0	403.528	-2.340	40	0		HAABRP
NC(=[NH2+])NCCCC[C@@H](O)CC(=O)N[C@H](O)C(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000005518736	557659436	/nfs/dbraw/zinc/65/94/36/557659436.db2.gz	GDVNLLJNADMLLR-CZUORRHYSA-N	3	0	403.528	-2.340	40	0		HAABRP
CO[C@H]1[C@@H](O)[C@H]([NH3+])[C@@H](O[C@H]2O[C@@H]([C@H](C)[NH3+])CC[C@H]2[NH3+])[C@H](O)[C@@H]1N(C)C(=O)C[NH3+]	ZINC000015657705	558747784	/nfs/dbraw/zinc/74/77/84/558747784.db2.gz	BIDUPMYXGFNAEJ-JAFJSLIRSA-N	4	0	405.496	-3.585	40	0		HAABRP
C[C@@]1(O)C[C@H](O)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1n1cnc2c1nc(N)nc2N	ZINC000257277549	568797740	/nfs/dbraw/zinc/79/77/40/568797740.db2.gz	NYJAMAZYEGOIQS-FNNWNWGMSA-N	2	0	421.506	-1.668	40	0		HAABRP
C[C@]1(O)C[C@@H](O)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257277550	568797787	/nfs/dbraw/zinc/79/77/87/568797787.db2.gz	NYJAMAZYEGOIQS-LEGQTRPTSA-N	2	0	421.506	-1.668	40	0		HAABRP
CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])[C@H]1CC[C@@](O)(Cn2cnc3c2ncnc3N)[C@H](O)C1	ZINC000257282471	568799153	/nfs/dbraw/zinc/79/91/53/568799153.db2.gz	OTWXRPZWEMOEAK-WZFJYNIESA-N	2	0	420.518	-1.032	40	0		HAABRP
Cc1cn(C[C@@]2(O)CC[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]2O)c(=O)[nH]c1=O	ZINC000257307987	568806935	/nfs/dbraw/zinc/80/69/35/568806935.db2.gz	TUZPRSVXACRJNE-QZNHQWIBSA-N	2	0	411.503	-1.183	40	0		HAABRP
C[C@]1(O)C[C@@H](O)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@@H]1n1cnc2c1ncnc2N	ZINC000257321664	568810766	/nfs/dbraw/zinc/81/07/66/568810766.db2.gz	WCQKDBBRCNCMQG-OXRQTFEDSA-N	2	0	406.491	-1.250	40	0		HAABRP
C[C@@]1(O)C[C@H](O)CN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1n1cnc2c1ncnc2N	ZINC000257321665	568810869	/nfs/dbraw/zinc/81/08/69/568810869.db2.gz	WCQKDBBRCNCMQG-ZVZLLHMNSA-N	2	0	406.491	-1.250	40	0		HAABRP
O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH2+]CC3)[C@@H](O)[C@H]2O1)N1CCS(=O)(=O)CC1	ZINC000604381871	568489247	/nfs/dbraw/zinc/48/92/47/568489247.db2.gz	SIUAXZCKJHKVLC-GRLWTPEZSA-N	2	0	417.528	-1.739	40	0	biogenic,in-vitro	HAABRP
COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001569989210	1072630099	/nfs/dbraw/zinc/63/00/99/1072630099.db2.gz	KYPYVUHTYAIKJF-JYJNAYRXSA-N	3	0	416.567	-1.157	40	0		HAABRP
COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC001569989211	1072630150	/nfs/dbraw/zinc/63/01/50/1072630150.db2.gz	KYPYVUHTYAIKJF-XHSDSOJGSA-N	3	0	416.567	-1.157	40	0		HAABRP