smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CCNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])CC[C@]32[C@H](C)CC1	ZINC000103524974	291194529	/nfs/dbraw/zinc/19/45/29/291194529.db2.gz	CHXZMLWVWKMBFD-RBJFXJGXSA-N	2	0	415.582	1.993	1	0	biogenic,in-vitro	HDAFRP
Cc1c(Cl)nc(NC2CCC([NH3+])CC2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1	ZINC000028387049	581093155	/nfs/dbraw/zinc/09/31/55/581093155.db2.gz	VJLJPYQUWKGXTP-UHFFFAOYSA-N	2	0	418.929	1.984	1	0		HDAFRP
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)C[NH2+]CC3)cc1	ZINC000034230886	581096730	/nfs/dbraw/zinc/09/67/30/581096730.db2.gz	AXAWARWVQYJXEC-UHFFFAOYSA-N	3	0	402.564	1.292	1	0		HDAFRP
Cc1c(Cl)nc(NC[C@@H]2CCC[NH2+]C2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1	ZINC000028368125	581093092	/nfs/dbraw/zinc/09/30/92/581093092.db2.gz	ULCSVJKUVFEWLW-OAHLLOKOSA-N	2	0	418.929	1.714	1	0		HDAFRP
Cc1c(Cl)nc(NCC2CC[NH2+]CC2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1	ZINC000028379467	581093184	/nfs/dbraw/zinc/09/31/84/581093184.db2.gz	UPTLBLRIQLXTMC-UHFFFAOYSA-N	2	0	418.929	1.714	1	0		HDAFRP
COC(=O)C[C@]1(C(=O)Nc2cccc(C(N)=[NH2+])c2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000036140594	581096705	/nfs/dbraw/zinc/09/67/05/581096705.db2.gz	HIYDZLWEOAOERZ-NRFANRHFSA-N	2	0	422.445	1.320	1	0		HDAFRP
COC(=O)C[C@@]1(C(=O)Nc2cccc(C(N)=[NH2+])c2)CC(c2cccc(C(N)=[NH2+])c2)=NO1	ZINC000026673296	581096602	/nfs/dbraw/zinc/09/66/02/581096602.db2.gz	HIYDZLWEOAOERZ-OAQYLSRUSA-N	2	0	422.445	1.320	1	0		HDAFRP
[NH3+]CCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CC[NH2+]CC4)ccn3)s2)c1	ZINC000034839922	341977382	/nfs/dbraw/zinc/97/73/82/341977382.db2.gz	KUWDNGVTUHQSDP-UHFFFAOYSA-N	2	0	424.534	1.442	1	0		HDAFRP
Cc1c(Cl)nc(NC[C@H]2CCC[NH2+]C2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1	ZINC000028368132	581093006	/nfs/dbraw/zinc/09/30/06/581093006.db2.gz	ULCSVJKUVFEWLW-HNNXBMFYSA-N	2	0	418.929	1.714	1	0		HDAFRP