smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2cc(Br)ccc2[nH+]1	ZINC000301092082	563392409	/nfs/dbraw/zinc/39/24/09/563392409.db2.gz	OAXVCDSTRMJMLW-UHFFFAOYSA-N	1	2	390.197	2.716	10	5		GFBELO
CCOCC[N@@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1CC	ZINC000123663883	551308085	/nfs/dbraw/zinc/30/80/85/551308085.db2.gz	VJDUEMZOIXOYCX-GFCCVEGCSA-N	1	2	387.278	2.689	10	5		GFBELO
CCOCC[N@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@H]1CC	ZINC000123663883	551308087	/nfs/dbraw/zinc/30/80/87/551308087.db2.gz	VJDUEMZOIXOYCX-GFCCVEGCSA-N	1	2	387.278	2.689	10	5		GFBELO
CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1CC	ZINC000177545389	655280638	/nfs/dbraw/zinc/28/06/38/655280638.db2.gz	KKNXCKGAOWAFDA-GFCCVEGCSA-N	1	2	387.278	2.689	10	5		GFBELO
CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@H]1CC	ZINC000177545389	655280645	/nfs/dbraw/zinc/28/06/45/655280645.db2.gz	KKNXCKGAOWAFDA-GFCCVEGCSA-N	1	2	387.278	2.689	10	5		GFBELO
C[NH+](C)C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000119518557	551217066	/nfs/dbraw/zinc/21/70/66/551217066.db2.gz	MLBUKIJXVSBZMA-AWEZNQCLSA-N	1	2	383.857	2.829	10	5		GFBELO
CCOCC[N@@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1CC	ZINC000123664102	551308409	/nfs/dbraw/zinc/30/84/09/551308409.db2.gz	VJDUEMZOIXOYCX-LBPRGKRZSA-N	1	2	387.278	2.689	10	5		GFBELO
CCOCC[N@H+]1CCN(c2c(Br)cncc2[N+](=O)[O-])C[C@@H]1CC	ZINC000123664102	551308412	/nfs/dbraw/zinc/30/84/12/551308412.db2.gz	VJDUEMZOIXOYCX-LBPRGKRZSA-N	1	2	387.278	2.689	10	5		GFBELO
COCC[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C	ZINC000183056045	552299136	/nfs/dbraw/zinc/29/91/36/552299136.db2.gz	QDVZOVKWTZAEPE-GFCCVEGCSA-N	1	2	387.889	2.519	10	5		GFBELO
COCC[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C	ZINC000183056045	552299139	/nfs/dbraw/zinc/29/91/39/552299139.db2.gz	QDVZOVKWTZAEPE-GFCCVEGCSA-N	1	2	387.889	2.519	10	5		GFBELO
CCOCC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1CC	ZINC000177545402	655280607	/nfs/dbraw/zinc/28/06/07/655280607.db2.gz	KKNXCKGAOWAFDA-LBPRGKRZSA-N	1	2	387.278	2.689	10	5		GFBELO
CCOCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)C[C@@H]1CC	ZINC000177545402	655280610	/nfs/dbraw/zinc/28/06/10/655280610.db2.gz	KKNXCKGAOWAFDA-LBPRGKRZSA-N	1	2	387.278	2.689	10	5		GFBELO
Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-]	ZINC000176727192	655253656	/nfs/dbraw/zinc/25/36/56/655253656.db2.gz	VUUVKOHJWCMRAB-LBPRGKRZSA-N	1	2	384.845	2.606	10	5		GFBELO
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173963862	552095760	/nfs/dbraw/zinc/09/57/60/552095760.db2.gz	FSKJXWSTWILNJS-NSHDSACASA-N	1	2	378.435	2.882	10	5		GFBELO
C[NH+](C)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1	ZINC000119518671	551217373	/nfs/dbraw/zinc/21/73/73/551217373.db2.gz	MLBUKIJXVSBZMA-CQSZACIVSA-N	1	2	383.857	2.829	10	5		GFBELO
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(-n2cc[nH+]c2)c1	ZINC000173963874	552095951	/nfs/dbraw/zinc/09/59/51/552095951.db2.gz	FSKJXWSTWILNJS-LLVKDONJSA-N	1	2	378.435	2.882	10	5		GFBELO
Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-]	ZINC000176727175	655253716	/nfs/dbraw/zinc/25/37/16/655253716.db2.gz	VUUVKOHJWCMRAB-GFCCVEGCSA-N	1	2	384.845	2.606	10	5		GFBELO
O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2cc(Cl)nnc2Cl)CC1	ZINC000034850334	206305277	/nfs/dbraw/zinc/30/52/77/206305277.db2.gz	KQGIIGIRVGQQMU-UHFFFAOYSA-N	1	2	398.250	2.893	10	5		GFBELO
COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)CCN3C2=O)cc1	ZINC000096269125	209013344	/nfs/dbraw/zinc/01/33/44/209013344.db2.gz	PEANNNWGEBRXAJ-LJQANCHMSA-N	1	2	396.447	2.725	10	5		GFBELO
COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)CCN3C2=O)cc1	ZINC000096269125	209013348	/nfs/dbraw/zinc/01/33/48/209013348.db2.gz	PEANNNWGEBRXAJ-LJQANCHMSA-N	1	2	396.447	2.725	10	5		GFBELO
O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3cc(Cl)nnc3Cl)CC2)cc1	ZINC000034850289	206304686	/nfs/dbraw/zinc/30/46/86/206304686.db2.gz	GANHFFFOWDJGRJ-UHFFFAOYSA-N	1	2	398.250	2.893	10	5		GFBELO
COCC[N@@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000183056066	552299115	/nfs/dbraw/zinc/29/91/15/552299115.db2.gz	QDVZOVKWTZAEPE-LBPRGKRZSA-N	1	2	387.889	2.519	10	5		GFBELO
COCC[N@H+]1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C	ZINC000183056066	552299118	/nfs/dbraw/zinc/29/91/18/552299118.db2.gz	QDVZOVKWTZAEPE-LBPRGKRZSA-N	1	2	387.889	2.519	10	5		GFBELO
O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000177796906	552158697	/nfs/dbraw/zinc/15/86/97/552158697.db2.gz	NPFFARRPCBTHGU-GFCCVEGCSA-N	1	2	379.214	2.859	10	5		GFBELO
Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-]	ZINC000173836508	552093830	/nfs/dbraw/zinc/09/38/30/552093830.db2.gz	ZSSYXGDBEXARAK-LBPRGKRZSA-N	1	2	384.845	2.606	10	5		GFBELO
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1CCn1cc[nH+]c1	ZINC000058826056	222055805	/nfs/dbraw/zinc/05/58/05/222055805.db2.gz	ALEAKDMUTZXPNE-UHFFFAOYSA-N	1	2	378.344	2.880	10	5		GFBELO
O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1	ZINC000127536773	654831727	/nfs/dbraw/zinc/83/17/27/654831727.db2.gz	CICBGIFTEHYHIF-CYBMUJFWSA-N	1	2	379.214	2.859	10	5		GFBELO
Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-]	ZINC000173836491	552093735	/nfs/dbraw/zinc/09/37/35/552093735.db2.gz	ZSSYXGDBEXARAK-GFCCVEGCSA-N	1	2	384.845	2.606	10	5		GFBELO