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+])N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C[NH3+])O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H]([NH3+])C[C@@H]1[NH3+]	ZINC000014949047	211107020	/nfs/dbraw/zinc/10/70/20/211107020.db2.gz	ZBDOVGMSCLQXBM-HKEUSBCWSA-N	4	0	364.403	-5.801	1	30		FAEFRP
CNC(=[NH2+])NCCC[C@H]([NH3+])CC(=O)N(C)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026496580	211449142	/nfs/dbraw/zinc/44/91/42/211449142.db2.gz	XCDIOWVOEBEDBL-DTWKUNHWSA-N	2	0	369.430	-2.796	1	30		FAEFRP
CN(C(=O)C[C@H]([NH3+])C[C@@H]1C[NH2+]CCO1)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000026496949	211449146	/nfs/dbraw/zinc/44/91/46/211449146.db2.gz	WFVGCTKAJWAEJX-OPRDCNLKSA-N	2	0	355.399	-2.732	1	30		FAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H]1CN(C)C(=NC(N)=O)NC1=O	ZINC000036465166	208163488	/nfs/dbraw/zinc/16/34/88/208163488.db2.gz	BGBUHGLMONTEDD-DTWKUNHWSA-N	2	0	369.430	-1.869	1	30		FAEFRP
C[S@@+](C[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)[C@@H]1CC[NH2+]C1	ZINC000042964195	205099941	/nfs/dbraw/zinc/09/99/41/205099941.db2.gz	CQNOXFUHRONBBH-WBYGYRQDSA-N	2	0	367.455	-1.362	1	30		FAEFRP
C[S@+](C[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O)[C@@H]1CC[NH2+]C1	ZINC000042964199	205099492	/nfs/dbraw/zinc/09/94/92/205099492.db2.gz	CQNOXFUHRONBBH-NAKXNAQUSA-N	2	0	367.455	-1.362	1	30		FAEFRP
C[S@+](CCC[NH3+])C[C@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O	ZINC000042965229	208298078	/nfs/dbraw/zinc/29/80/78/208298078.db2.gz	ZUNBITIXDCPNSD-DFZOMGJXSA-N	2	0	355.444	-1.375	1	30		FAEFRP
CCN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066066148	221239606	/nfs/dbraw/zinc/23/96/06/221239606.db2.gz	RPJWHEVYSGNVMO-DTWKUNHWSA-N	2	0	369.430	-1.821	1	30		FAEFRP
CCN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066066149	205362920	/nfs/dbraw/zinc/36/29/20/205362920.db2.gz	RPJWHEVYSGNVMO-IUCAKERBSA-N	2	0	369.430	-1.821	1	30		FAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H]1CNC(=NC(N)=O)N(C)C1=O	ZINC000066075036	205363337	/nfs/dbraw/zinc/36/33/37/205363337.db2.gz	SWCCWPHGKWZEGS-DTWKUNHWSA-N	2	0	369.430	-2.505	1	30		FAEFRP
CN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@H]1CNC(=NC(N)=O)N(C)C1=O	ZINC000066075038	221239223	/nfs/dbraw/zinc/23/92/23/221239223.db2.gz	SWCCWPHGKWZEGS-IUCAKERBSA-N	2	0	369.430	-2.505	1	30		FAEFRP
CC(=O)NC1=CC(=O)[C@H](N(C)C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])CN1	ZINC000066075044	221238983	/nfs/dbraw/zinc/23/89/83/221238983.db2.gz	VECBUCOJZWLUOR-WDEREUQCSA-N	2	0	353.427	-2.056	1	30		FAEFRP
CC(=O)NC1=CC(=O)[C@@H](N(C)C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])CN1	ZINC000066075046	221239444	/nfs/dbraw/zinc/23/94/44/221239444.db2.gz	VECBUCOJZWLUOR-QWRGUYRKSA-N	2	0	353.427	-2.056	1	30		FAEFRP
CN(C[C@H]1CNC(=NC(N)=O)NC1=O)C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+]	ZINC000066075698	221239238	/nfs/dbraw/zinc/23/92/38/221239238.db2.gz	XRZNLGIMCMPJPK-BDAKNGLRSA-N	2	0	369.430	-1.964	1	30		FAEFRP
CN(C(=O)C[C@@H]([NH3+])CC1CC[NH2+]CC1)[C@@H]1CNC(=NC(N)=O)NC1=O	ZINC000066136622	221242400	/nfs/dbraw/zinc/24/24/00/221242400.db2.gz	YLRIODDGIUAUBS-WDEREUQCSA-N	2	0	353.427	-1.085	1	30		FAEFRP
CN(C(=O)C[C@@H]([NH3+])CC1CC[NH2+]CC1)[C@H]1CNC(=NC(N)=O)NC1=O	ZINC000066136623	221242832	/nfs/dbraw/zinc/24/28/32/221242832.db2.gz	YLRIODDGIUAUBS-QWRGUYRKSA-N	2	0	353.427	-1.085	1	30		FAEFRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)NCC(=O)N[C@H](C=O)CCCNC(N)=[NH2+]	ZINC000096903211	222138106	/nfs/dbraw/zinc/13/81/06/222138106.db2.gz	GYSNNEVGEUCRFE-VHSXEESVSA-N	3	0	371.446	-3.779	1	30		FAEFRP