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(NC1(Cc2ccc(F)cc2Br)CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC001298390837	1064229566	/nfs/dbraw/zinc/22/95/66/1064229566.db2.gz	ZTSIFLMJMCIROH-UHFFFAOYSA-N	-1	1	454.252	3.119	20	5		JGBDMM
O=C([N-]CC[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc21)C(F)(F)F	ZINC001302622188	1067252890	/nfs/dbraw/zinc/25/28/90/1067252890.db2.gz	WDIQVXMXRPIWKF-NSHDSACASA-N	-1	1	451.357	3.136	20	5		JGBDMM
CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1	ZINC001301964335	1066267754	/nfs/dbraw/zinc/26/77/54/1066267754.db2.gz	RATJUGZWPURLRH-UHFFFAOYSA-N	-1	1	450.854	3.009	20	5		JGBDMM
COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1	ZINC001303131507	1067672653	/nfs/dbraw/zinc/67/26/53/1067672653.db2.gz	SYNYBFUQZPZSIU-GOSISDBHSA-N	-1	1	458.471	3.138	20	5		JGBDMM
CC(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC001303162945	1067700812	/nfs/dbraw/zinc/70/08/12/1067700812.db2.gz	OVMKSZNZSAVXPR-UHFFFAOYSA-N	-1	1	454.453	3.404	20	5		JGBDMM
Cn1cc(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001301963553	1066266290	/nfs/dbraw/zinc/26/62/90/1066266290.db2.gz	JDEZEDLQRXIWCL-UHFFFAOYSA-N	-1	1	455.902	3.312	20	5		JGBDMM
O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1	ZINC001301057872	1065909333	/nfs/dbraw/zinc/90/93/33/1065909333.db2.gz	NHUMJBMLLSGSPR-QZTJIDSGSA-N	-1	1	475.427	3.008	20	5		JGBDMM
O=C([N-]CC[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc21)C(F)(F)F	ZINC001302622187	1067252732	/nfs/dbraw/zinc/25/27/32/1067252732.db2.gz	WDIQVXMXRPIWKF-LLVKDONJSA-N	-1	1	451.357	3.136	20	5		JGBDMM
CC(C)c1[nH]nc(C(=O)N2CC[C@H](c3ccccc3)[C@H]([N-]C(=O)C(F)(F)F)C2)c1[N+](=O)[O-]	ZINC001301058634	1065910788	/nfs/dbraw/zinc/91/07/88/1065910788.db2.gz	JSVKGYPSFQXEDL-ZIAGYGMSSA-N	-1	1	453.421	3.118	20	5		JGBDMM
COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1	ZINC001303131508	1067672711	/nfs/dbraw/zinc/67/27/11/1067672711.db2.gz	SYNYBFUQZPZSIU-SFHVURJKSA-N	-1	1	458.471	3.138	20	5		JGBDMM
CC1(CC(F)F)CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)C1	ZINC001299869845	1065087007	/nfs/dbraw/zinc/08/70/07/1065087007.db2.gz	ROPVIIKBMQQQCM-UHFFFAOYSA-N	-1	1	455.439	3.219	20	5		JGBDMM