smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CNCCCN(CCO)CCO)Nc1ccc2c3c(cccc13)C(=O)N(CCCn1ccnc1[N+](=O)[O-])C2=O	ZINC000026384688	561784116	/nfs/dbraw/zinc/78/41/16/561784116.db2.gz	QPLBARLSJSOCJG-UHFFFAOYSA-N	0	3	567.603	0.836	1	5		KCBFHN
CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(OC[C@@H]2CO2)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000072138126	562728636	/nfs/dbraw/zinc/72/86/36/562728636.db2.gz	VHIMOTFJXFVVLS-CQFOHPLSSA-N	0	3	660.802	0.804	1	5		KCBFHN
CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@H]2O)[C@](C)(OC[C@H]2CO2)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O	ZINC000072138127	562728654	/nfs/dbraw/zinc/72/86/54/562728654.db2.gz	VHIMOTFJXFVVLS-IFBAMQKISA-N	0	3	660.802	0.804	1	5		KCBFHN
CC(=O)Nc1ccc(S(=O)(=O)N2CCN([N+]([O-])=NOc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1	ZINC000377803612	562895970	/nfs/dbraw/zinc/89/59/70/562895970.db2.gz	FBIXXOQFIIPIDK-UHFFFAOYSA-O	0	3	510.465	0.960	1	5		KCBFHN
CCN(CC)C(=O)N1CCN([N+]([O-])=NOc2cc(O[N-][N+](=O)N(CC)CC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377812597	562896064	/nfs/dbraw/zinc/89/60/64/562896064.db2.gz	RUSIKVWMVDNFHM-UHFFFAOYSA-N	0	3	544.526	0.909	1	5		KCBFHN
CCOC(=O)N1CCN([N+]([O-])=NOc2cc(O[N-][N+](=O)N(CC)CC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377813068	562896027	/nfs/dbraw/zinc/89/60/27/562896027.db2.gz	BJGPAJKVYDIBAV-UHFFFAOYSA-N	0	3	517.456	0.604	1	5		KCBFHN
CCN(CC)C(=O)N1CCN([N+]([O-])=NOc2cc(O[N-][N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377813153	562896038	/nfs/dbraw/zinc/89/60/38/562896038.db2.gz	ZQPHUFHVFPSLOX-UHFFFAOYSA-N	0	3	516.472	0.129	1	5		KCBFHN
CCCOC(=O)N1CCN([N+]([O-])=NOc2cc(O[N-][N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377814541	562896053	/nfs/dbraw/zinc/89/60/53/562896053.db2.gz	BLCLAYZLZYGGFY-UHFFFAOYSA-N	0	3	503.429	0.213	1	5		KCBFHN
CCOC(=O)N1CCN([N+]([O-])=NOc2cc(O[N-][N+](=O)N3CCN(C(=O)N(CC)CC)CC3)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377814552	562896040	/nfs/dbraw/zinc/89/60/40/562896040.db2.gz	NKBSEOXGDMUFRJ-UHFFFAOYSA-N	0	3	629.588	0.341	1	5		KCBFHN
CCCCOC(=O)N1CCN([N+]([O-])=NOc2cc(O[N-][N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377814553	562896035	/nfs/dbraw/zinc/89/60/35/562896035.db2.gz	NUOUXIMIMZYBTL-UHFFFAOYSA-N	0	3	517.456	0.604	1	5		KCBFHN
CCOC(=O)N1CCN([N+](=O)[N-]Oc2cc(ON=[N+]([O-])N3CCN(C(=O)OCC)CC3)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377848881	562896455	/nfs/dbraw/zinc/89/64/55/562896455.db2.gz	TZQGWZDHFUOOET-UHFFFAOYSA-N	0	3	602.518	0.036	1	5		KCBFHN