smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164773503	721090486	/nfs/dbraw/zinc/09/04/86/721090486.db2.gz	XKSNDCSYKORWNO-DLBZAZTESA-N	2	1	427.513	0.486	20	5		ICBDMP
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164773512	721090070	/nfs/dbraw/zinc/09/00/70/721090070.db2.gz	XKSNDCSYKORWNO-IAGOWNOFSA-N	2	1	427.513	0.486	20	5		ICBDMP
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164773517	721090343	/nfs/dbraw/zinc/09/03/43/721090343.db2.gz	XKSNDCSYKORWNO-IRXDYDNUSA-N	2	1	427.513	0.486	20	5		ICBDMP
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164773521	721090789	/nfs/dbraw/zinc/09/07/89/721090789.db2.gz	XKSNDCSYKORWNO-SJORKVTESA-N	2	1	427.513	0.486	20	5		ICBDMP
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001164812569	720084539	/nfs/dbraw/zinc/08/45/39/720084539.db2.gz	QXJUCEAJNWDPEC-DYESRHJHSA-N	2	1	431.541	0.979	20	5		ICBDMP
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001164812573	720084793	/nfs/dbraw/zinc/08/47/93/720084793.db2.gz	QXJUCEAJNWDPEC-LAUBAEHRSA-N	2	1	431.541	0.979	20	5		ICBDMP
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001164812578	720085271	/nfs/dbraw/zinc/08/52/71/720085271.db2.gz	QXJUCEAJNWDPEC-UTKZUKDTSA-N	2	1	431.541	0.979	20	5		ICBDMP
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001164812583	720084708	/nfs/dbraw/zinc/08/47/08/720084708.db2.gz	QXJUCEAJNWDPEC-UWJYYQICSA-N	2	1	431.541	0.979	20	5		ICBDMP
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CCC2	ZINC001164816439	720248076	/nfs/dbraw/zinc/24/80/76/720248076.db2.gz	JGSCKNKTPLZOSC-UHFFFAOYSA-N	2	1	428.497	0.879	20	5		ICBDMP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871440	721059484	/nfs/dbraw/zinc/05/94/84/721059484.db2.gz	YWIPGBMEFDCKPW-MSOLQXFVSA-N	2	1	440.508	0.669	20	5		ICBDMP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871442	721060543	/nfs/dbraw/zinc/06/05/43/721060543.db2.gz	YWIPGBMEFDCKPW-QZTJIDSGSA-N	2	1	440.508	0.669	20	5		ICBDMP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871444	721059918	/nfs/dbraw/zinc/05/99/18/721059918.db2.gz	YWIPGBMEFDCKPW-ROUUACIJSA-N	2	1	440.508	0.669	20	5		ICBDMP
O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871446	721059987	/nfs/dbraw/zinc/05/99/87/721059987.db2.gz	YWIPGBMEFDCKPW-ZWKOTPCHSA-N	2	1	440.508	0.669	20	5		ICBDMP
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)C1	ZINC001164877356	721294148	/nfs/dbraw/zinc/29/41/48/721294148.db2.gz	MPLNEEYMZPFHLC-UHFFFAOYSA-N	2	1	433.513	0.079	20	5		ICBDMP
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C3)O2)CC1	ZINC001164892729	721453553	/nfs/dbraw/zinc/45/35/53/721453553.db2.gz	XOLNLFPSPUPAOK-DYESRHJHSA-N	2	1	431.541	0.837	20	5		ICBDMP
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C3)O2)CC1	ZINC001164892730	721453577	/nfs/dbraw/zinc/45/35/77/721453577.db2.gz	XOLNLFPSPUPAOK-LAUBAEHRSA-N	2	1	431.541	0.837	20	5		ICBDMP
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C3)O2)CC1	ZINC001164892731	721453062	/nfs/dbraw/zinc/45/30/62/721453062.db2.gz	XOLNLFPSPUPAOK-UTKZUKDTSA-N	2	1	431.541	0.837	20	5		ICBDMP
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)C3)O2)CC1	ZINC001164892732	721453283	/nfs/dbraw/zinc/45/32/83/721453283.db2.gz	XOLNLFPSPUPAOK-UWJYYQICSA-N	2	1	431.541	0.837	20	5		ICBDMP
C[NH+]1CCN(c2ncnc3c2CCN(c2ncc([N+](=O)[O-])c(C4C[NH2+]C4)n2)CC3)CC1	ZINC001165002047	722240574	/nfs/dbraw/zinc/24/05/74/722240574.db2.gz	BHHMNXFZKNXBLM-UHFFFAOYSA-N	2	1	425.497	0.219	20	5		ICBDMP