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(c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc2cccnc21	ZINC000028225937	206034625	/nfs/dbraw/zinc/03/46/25/206034625.db2.gz	PTYQLFWFXFEFGV-UHFFFAOYSA-N	0	2	388.448	4.267	10	10		GICELN
Cc1ccc(N[C@@H](c2cc([N+](=O)[O-])ccc2O)n2nnc3ccccc32)c(C)c1	ZINC000036015017	205002850	/nfs/dbraw/zinc/00/28/50/205002850.db2.gz	XKMPXMCSNDJRKK-OAQYLSRUSA-N	0	2	389.415	4.321	10	10		GICELN
O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc2c(c1)OCO2	ZINC000000756244	527047050	/nfs/dbraw/zinc/04/70/50/527047050.db2.gz	KTDFLQWJYAXXFF-MHWRWJLKSA-N	0	2	386.363	4.075	10	10		GICELN
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccs1	ZINC000001203525	206367112	/nfs/dbraw/zinc/36/71/12/206367112.db2.gz	YAUGWEQGJSTZES-WQLSENKSSA-N	0	2	377.219	4.017	10	10		GICELN
Cc1c2ccc(O)c(CN3CCCOC3)c2oc(=O)c1-c1ccc(Cl)cc1	ZINC000094993442	208148664	/nfs/dbraw/zinc/14/86/64/208148664.db2.gz	LWKKULMKZOVSDG-UHFFFAOYSA-N	0	2	385.847	4.307	10	10		GICELN
Cc1c2ccc([O-])c(C[N@@H+]3CCCOC3)c2oc(=O)c1-c1ccc(Cl)cc1	ZINC000094993442	208148667	/nfs/dbraw/zinc/14/86/67/208148667.db2.gz	LWKKULMKZOVSDG-UHFFFAOYSA-N	0	2	385.847	4.307	10	10		GICELN
Cc1c2ccc([O-])c(C[N@H+]3CCCOC3)c2oc(=O)c1-c1ccc(Cl)cc1	ZINC000094993442	208148673	/nfs/dbraw/zinc/14/86/73/208148673.db2.gz	LWKKULMKZOVSDG-UHFFFAOYSA-N	0	2	385.847	4.307	10	10		GICELN
Cc1ccccc1N[C@@H](c1cc([N+](=O)[O-])ccc1O)n1nnc2ccccc21	ZINC000035147023	570549631	/nfs/dbraw/zinc/54/96/31/570549631.db2.gz	LZKPAVBKCRNAKY-HXUWFJFHSA-N	0	2	375.388	4.013	10	10		GICELN
Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000001065695	209295285	/nfs/dbraw/zinc/29/52/85/209295285.db2.gz	XCNPSDBWWMTZMS-KGENOOAVSA-N	0	2	399.450	4.069	10	10		GICELN
Cc1ccc(N[C@@H](c2cc([N+](=O)[O-])ccc2O)n2nnc3ccccc32)cc1	ZINC000036015021	570559738	/nfs/dbraw/zinc/55/97/38/570559738.db2.gz	OGKDCUMTQLDVOU-HXUWFJFHSA-N	0	2	375.388	4.013	10	10		GICELN
Cc1ccccc1N[C@H](c1cc([N+](=O)[O-])ccc1O)n1nnc2ccccc21	ZINC000035147025	570549755	/nfs/dbraw/zinc/54/97/55/570549755.db2.gz	LZKPAVBKCRNAKY-FQEVSTJZSA-N	0	2	375.388	4.013	10	10		GICELN
Cc1ccc(N[C@H](c2cc([N+](=O)[O-])ccc2O)n2nnc3ccccc32)c(C)c1	ZINC000036015018	570559780	/nfs/dbraw/zinc/55/97/80/570559780.db2.gz	XKMPXMCSNDJRKK-NRFANRHFSA-N	0	2	389.415	4.321	10	10		GICELN
Cc1ccc(N[C@H](c2cc([N+](=O)[O-])ccc2O)n2nnc3ccccc32)cc1	ZINC000036015022	570559935	/nfs/dbraw/zinc/55/99/35/570559935.db2.gz	OGKDCUMTQLDVOU-FQEVSTJZSA-N	0	2	375.388	4.013	10	10		GICELN
CCOc1cc(C=C2C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)ccc1O	ZINC000017086515	221379758	/nfs/dbraw/zinc/37/97/58/221379758.db2.gz	CWOQUDNMSDQRIM-YBEGLDIGSA-N	0	2	394.427	4.223	10	10		GICELN