smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001164702632	719844431	/nfs/dbraw/zinc/84/44/31/719844431.db2.gz	OICODJWOEWUUST-FOIQADDNSA-N	2	2	449.512	0.027	20	5		ICBDLP
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001164702635	719844504	/nfs/dbraw/zinc/84/45/04/719844504.db2.gz	OICODJWOEWUUST-MGPUTAFESA-N	2	2	449.512	0.027	20	5		ICBDLP
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001164702636	719844407	/nfs/dbraw/zinc/84/44/07/719844407.db2.gz	OICODJWOEWUUST-QRWLVFNGSA-N	2	2	449.512	0.027	20	5		ICBDLP
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001164702638	719844446	/nfs/dbraw/zinc/84/44/46/719844446.db2.gz	OICODJWOEWUUST-YWZLYKJASA-N	2	2	449.512	0.027	20	5		ICBDLP
O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1	ZINC001164914236	721801773	/nfs/dbraw/zinc/80/17/73/721801773.db2.gz	KWLZROHHCODWJM-NRFANRHFSA-N	2	2	441.492	0.574	20	5		ICBDLP
O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1	ZINC001164914236	721801772	/nfs/dbraw/zinc/80/17/72/721801772.db2.gz	KWLZROHHCODWJM-NRFANRHFSA-N	2	2	441.492	0.574	20	5		ICBDLP
O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1	ZINC001164914238	721801849	/nfs/dbraw/zinc/80/18/49/721801849.db2.gz	KWLZROHHCODWJM-OAQYLSRUSA-N	2	2	441.492	0.574	20	5		ICBDLP
O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1C1C[NH2+]C1	ZINC001164914238	721801847	/nfs/dbraw/zinc/80/18/47/721801847.db2.gz	KWLZROHHCODWJM-OAQYLSRUSA-N	2	2	441.492	0.574	20	5		ICBDLP
Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1	ZINC001164917119	721813296	/nfs/dbraw/zinc/81/32/96/721813296.db2.gz	KQYZPUIVUJLKBU-UHFFFAOYSA-N	2	2	427.513	0.740	20	5		ICBDLP
CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001165010968	721697872	/nfs/dbraw/zinc/69/78/72/721697872.db2.gz	YIHBWCGESJBWAF-UHFFFAOYSA-N	2	2	430.517	0.636	20	5		ICBDLP
CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc(N3CC[NH2+]CC3)c1[N+](=O)[O-])C2	ZINC001165010968	721697860	/nfs/dbraw/zinc/69/78/60/721697860.db2.gz	YIHBWCGESJBWAF-UHFFFAOYSA-N	2	2	430.517	0.636	20	5		ICBDLP
CN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1	ZINC001542906193	1072011486	/nfs/dbraw/zinc/01/14/86/1072011486.db2.gz	UMQNNRFDZFKGTH-FQEVSTJZSA-N	2	2	433.509	0.325	20	5		ICBDLP
CN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1	ZINC001542906194	1072011866	/nfs/dbraw/zinc/01/18/66/1072011866.db2.gz	UMQNNRFDZFKGTH-HXUWFJFHSA-N	2	2	433.509	0.325	20	5		ICBDLP
CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(N3CC[NH+](C)CC3)ccc2[N+](=O)[O-])CC1	ZINC001563309215	1073482981	/nfs/dbraw/zinc/48/29/81/1073482981.db2.gz	HDJCDFRAWXZEPQ-UHFFFAOYSA-N	2	2	433.513	0.679	20	5		ICBDLP
C[NH+]1CCC([NH+]2CCC(NC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC001598393668	1072621300	/nfs/dbraw/zinc/62/13/00/1072621300.db2.gz	XJNYVKXHACCIEE-UHFFFAOYSA-N	2	2	439.538	0.548	20	5		ICBDLP
C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1	ZINC001616889876	1073232757	/nfs/dbraw/zinc/23/27/57/1073232757.db2.gz	CPENHOQZWBACAI-AWEZNQCLSA-N	2	2	425.511	0.158	20	5		ICBDLP
C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1	ZINC001616889876	1073232755	/nfs/dbraw/zinc/23/27/55/1073232755.db2.gz	CPENHOQZWBACAI-AWEZNQCLSA-N	2	2	425.511	0.158	20	5		ICBDLP
C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1	ZINC001616889877	1073232908	/nfs/dbraw/zinc/23/29/08/1073232908.db2.gz	CPENHOQZWBACAI-CQSZACIVSA-N	2	2	425.511	0.158	20	5		ICBDLP
C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1	ZINC001616889877	1073232905	/nfs/dbraw/zinc/23/29/05/1073232905.db2.gz	CPENHOQZWBACAI-CQSZACIVSA-N	2	2	425.511	0.158	20	5		ICBDLP