smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C[C@H]2CC[C@@H]1O2	ZINC000151084420	531133334	/nfs/dbraw/zinc/13/33/34/531133334.db2.gz	IRHNQQWJKPFHCP-YWVKMMECSA-N	-1	1	377.216	1.956	10	5		GDBEMM
CNC(=O)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(C)C	ZINC000178930709	644928948	/nfs/dbraw/zinc/92/89/48/644928948.db2.gz	CDVFNZWCLWKHGD-LLVKDONJSA-N	-1	1	394.247	1.406	10	5		GDBEMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)CCO1	ZINC000123666297	530986421	/nfs/dbraw/zinc/98/64/21/530986421.db2.gz	QCBNLXOKNAKEEO-LBPRGKRZSA-N	-1	1	375.834	1.390	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](O)C1	ZINC000038106252	644321949	/nfs/dbraw/zinc/32/19/49/644321949.db2.gz	QBWOGLFFPOVOAR-VHSXEESVSA-N	-1	1	379.232	1.939	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](O)C1	ZINC000038106249	644322017	/nfs/dbraw/zinc/32/20/17/644322017.db2.gz	QBWOGLFFPOVOAR-ZJUUUORDSA-N	-1	1	379.232	1.939	10	5		GDBEMM
Cc1cnn(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c1	ZINC000117927717	530915457	/nfs/dbraw/zinc/91/54/57/530915457.db2.gz	WGODRWGLFZCQGY-UHFFFAOYSA-N	-1	1	389.231	1.841	10	5		GDBEMM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2	ZINC000114874712	530897494	/nfs/dbraw/zinc/89/74/94/530897494.db2.gz	RFPNOUCBUFHEDP-SNVBAGLBSA-N	-1	1	385.833	1.695	10	5		GDBEMM
O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1[nH]nc2c1CCCC2	ZINC000192483652	645040793	/nfs/dbraw/zinc/04/07/93/645040793.db2.gz	JOIVLRSTLHTIKY-UHFFFAOYSA-N	-1	1	384.801	1.969	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](O)C1	ZINC000038106250	644322057	/nfs/dbraw/zinc/32/20/57/644322057.db2.gz	QBWOGLFFPOVOAR-UWVGGRQHSA-N	-1	1	379.232	1.939	10	5		GDBEMM
Cc1cnn(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1	ZINC000117927182	530915325	/nfs/dbraw/zinc/91/53/25/530915325.db2.gz	VFMWOMLPZBFUJU-UHFFFAOYSA-N	-1	1	389.231	1.841	10	5		GDBEMM
Cc1noc(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1	ZINC000103158394	530833524	/nfs/dbraw/zinc/83/35/24/530833524.db2.gz	PDYDUKCNOQMSJS-UHFFFAOYSA-N	-1	1	391.203	1.570	10	5		GDBEMM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000262456819	645131380	/nfs/dbraw/zinc/13/13/80/645131380.db2.gz	IGMWZENDFRQKJV-UHFFFAOYSA-N	-1	1	391.833	1.464	10	5		GDBEMM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000262456819	645131383	/nfs/dbraw/zinc/13/13/83/645131383.db2.gz	IGMWZENDFRQKJV-UHFFFAOYSA-N	-1	1	391.833	1.464	10	5		GDBEMM
Nc1cc(=O)[n-]c(SCC(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)n1	ZINC000020494199	207198729	/nfs/dbraw/zinc/19/87/29/207198729.db2.gz	SGTHRWREFAXPNY-UHFFFAOYSA-N	-1	1	378.395	1.601	10	5		GDBEMM
CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])C(C)C	ZINC000178925981	530730902	/nfs/dbraw/zinc/73/09/02/530730902.db2.gz	PDDMXZJPSTVGLB-LLVKDONJSA-N	-1	1	394.247	1.406	10	5		GDBEMM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2	ZINC000114874714	530897750	/nfs/dbraw/zinc/89/77/50/530897750.db2.gz	RFPNOUCBUFHEDP-JTQLQIEISA-N	-1	1	385.833	1.695	10	5		GDBEMM
CCc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2	ZINC000114874640	530897462	/nfs/dbraw/zinc/89/74/62/530897462.db2.gz	FRTHKXFGYWXAAP-SECBINFHSA-N	-1	1	385.833	1.695	10	5		GDBEMM
COC(=O)CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000040445985	530619397	/nfs/dbraw/zinc/61/93/97/530619397.db2.gz	NPEPKOFATRMBDF-UHFFFAOYSA-N	-1	1	381.204	1.589	10	5		GDBEMM
CCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])CC2	ZINC000114874642	530897863	/nfs/dbraw/zinc/89/78/63/530897863.db2.gz	FRTHKXFGYWXAAP-VIFPVBQESA-N	-1	1	385.833	1.695	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O	ZINC000091323684	530809653	/nfs/dbraw/zinc/80/96/53/530809653.db2.gz	FZAMOISVIKIWSY-KWQFWETISA-N	-1	1	379.232	1.797	10	5		GDBEMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)CCO1	ZINC000123666117	530986688	/nfs/dbraw/zinc/98/66/88/530986688.db2.gz	QCBNLXOKNAKEEO-GFCCVEGCSA-N	-1	1	375.834	1.390	10	5		GDBEMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CN(C2CC2)CCO1	ZINC000153183413	531163797	/nfs/dbraw/zinc/16/37/97/531163797.db2.gz	BWDVSDOCMYQYGO-LLVKDONJSA-N	-1	1	375.834	1.390	10	5		GDBEMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CN(C2CC2)CCO1	ZINC000153183505	531163855	/nfs/dbraw/zinc/16/38/55/531163855.db2.gz	BWDVSDOCMYQYGO-NSHDSACASA-N	-1	1	375.834	1.390	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1O	ZINC000052008960	530682437	/nfs/dbraw/zinc/68/24/37/530682437.db2.gz	CQWQFUUQRXSNPY-GXSJLCMTSA-N	-1	1	379.232	1.939	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1O	ZINC000052008954	530682511	/nfs/dbraw/zinc/68/25/11/530682511.db2.gz	CQWQFUUQRXSNPY-KOLCDFICSA-N	-1	1	379.232	1.939	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1O	ZINC000091323687	530809447	/nfs/dbraw/zinc/80/94/47/530809447.db2.gz	FZAMOISVIKIWSY-LDYMZIIASA-N	-1	1	379.232	1.797	10	5		GDBEMM
Cc1noc(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1	ZINC000101575551	530825045	/nfs/dbraw/zinc/82/50/45/530825045.db2.gz	JNSBROFHWNINSU-UHFFFAOYSA-N	-1	1	391.203	1.570	10	5		GDBEMM
C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCCCC1	ZINC000108404154	530857154	/nfs/dbraw/zinc/85/71/54/530857154.db2.gz	YSMIHSOQQOYCLF-JTQLQIEISA-N	-1	1	375.834	1.928	10	5		GDBEMM
O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](O)C1	ZINC000038106251	644321858	/nfs/dbraw/zinc/32/18/58/644321858.db2.gz	QBWOGLFFPOVOAR-NXEZZACHSA-N	-1	1	379.232	1.939	10	5		GDBEMM