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@@]1(O)C[C@H](O)CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1n1cnc2c1nc(N)nc2N	ZINC000257277549	568797742	/nfs/dbraw/zinc/79/77/42/568797742.db2.gz	NYJAMAZYEGOIQS-FNNWNWGMSA-N	1	3	421.506	-1.668	40	0		HAABHO
C[C@]1(O)C[C@@H](O)CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1n1cnc2c1nc(N)nc2N	ZINC000257277550	568797789	/nfs/dbraw/zinc/79/77/89/568797789.db2.gz	NYJAMAZYEGOIQS-LEGQTRPTSA-N	1	3	421.506	-1.668	40	0		HAABHO
CN(C(=O)[C@@H](N)CCCC[NH3+])[C@H]1CC[C@@](O)(Cn2cnc3c2ncnc3N)[C@H](O)C1	ZINC000257282471	568799156	/nfs/dbraw/zinc/79/91/56/568799156.db2.gz	OTWXRPZWEMOEAK-WZFJYNIESA-N	1	3	420.518	-1.032	40	0		HAABHO
Cc1cn(C[C@@]2(O)CC[C@@H](N(C)C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]2O)c(=O)[nH]c1=O	ZINC000257307987	568806950	/nfs/dbraw/zinc/80/69/50/568806950.db2.gz	TUZPRSVXACRJNE-QZNHQWIBSA-N	1	3	411.503	-1.183	40	0		HAABHO
C[C@]1(O)C[C@@H](O)CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@@H]1n1cnc2c1ncnc2N	ZINC000257321664	568810768	/nfs/dbraw/zinc/81/07/68/568810768.db2.gz	WCQKDBBRCNCMQG-OXRQTFEDSA-N	1	3	406.491	-1.250	40	0		HAABHO
C[C@@]1(O)C[C@H](O)CN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1n1cnc2c1ncnc2N	ZINC000257321665	568810870	/nfs/dbraw/zinc/81/08/70/568810870.db2.gz	WCQKDBBRCNCMQG-ZVZLLHMNSA-N	1	3	406.491	-1.250	40	0		HAABHO
O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCNCC3)[C@@H](O)[C@H]2O1)N1CCS(=O)(=O)CC1	ZINC000604381871	568489251	/nfs/dbraw/zinc/48/92/51/568489251.db2.gz	SIUAXZCKJHKVLC-GRLWTPEZSA-N	1	3	417.528	-1.739	40	0	biogenic,in-vitro	HAABHO