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(c1cc(I)ccc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC001293905908	1066395968	/nfs/dbraw/zinc/39/59/68/1066395968.db2.gz	INZVOVWQPZVFHU-LLVKDONJSA-N	-1	1	454.224	2.627	20	5		JFBDMM
Cc1cc(Br)c([O-])c(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC001295638112	1063680701	/nfs/dbraw/zinc/68/07/01/1063680701.db2.gz	DHTJEWQEKCZBDL-UHFFFAOYSA-N	-1	1	458.290	2.678	20	5		JFBDMM
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1c(Br)cccc1[N+](=O)[O-]	ZINC001295983121	1064038137	/nfs/dbraw/zinc/03/81/37/1064038137.db2.gz	QEAULJCMVFMUDF-UHFFFAOYSA-N	-1	1	456.274	2.855	20	5		JFBDMM
Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1	ZINC001289870138	1061553323	/nfs/dbraw/zinc/55/33/23/1061553323.db2.gz	FZJMFVYRSUYNJX-WBMJQRKESA-N	-1	1	453.421	2.677	20	5		JFBDMM
COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])cc1SC	ZINC001295983350	1064039456	/nfs/dbraw/zinc/03/94/56/1064039456.db2.gz	TVAZFXYXVSIGQW-UHFFFAOYSA-N	-1	1	453.498	2.823	20	5		JFBDMM
CC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC001291362845	1063879376	/nfs/dbraw/zinc/87/93/76/1063879376.db2.gz	MRCBPCHVJXCOFJ-FQEVSTJZSA-N	-1	1	484.479	2.909	20	5		JFBDMM
CC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1	ZINC001291362846	1063879400	/nfs/dbraw/zinc/87/94/00/1063879400.db2.gz	MRCBPCHVJXCOFJ-HXUWFJFHSA-N	-1	1	484.479	2.909	20	5		JFBDMM
O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC001295970454	1064017398	/nfs/dbraw/zinc/01/73/98/1064017398.db2.gz	FVLNJDRNUOAPLF-UHFFFAOYSA-N	-1	1	457.411	2.939	20	5		JFBDMM
O=C(c1cc(I)ccc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC001293905909	1066395995	/nfs/dbraw/zinc/39/59/95/1066395995.db2.gz	INZVOVWQPZVFHU-NSHDSACASA-N	-1	1	454.224	2.627	20	5		JFBDMM