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)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)c1	ZINC000178917966	644444056	/nfs/dbraw/zinc/44/40/56/644444056.db2.gz	KNGKHQGNTDPXGL-CABZTGNLSA-N	-1	3	393.259	2.187	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl	ZINC000180108919	532257923	/nfs/dbraw/zinc/25/79/23/532257923.db2.gz	KJSZELABWYUHAK-JTQLQIEISA-N	-1	3	385.833	2.270	10	5		GEBEHM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c1	ZINC000121287781	643630799	/nfs/dbraw/zinc/63/07/99/643630799.db2.gz	PBQJTFCLESYPJH-BXKDBHETSA-N	-1	3	393.259	2.187	10	5		GEBEHM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCO1	ZINC000158128372	644140383	/nfs/dbraw/zinc/14/03/83/644140383.db2.gz	DXUKNLOABHPCOI-GZMMTYOYSA-N	-1	3	379.232	2.203	10	5		GEBEHM
C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCO1	ZINC000158128052	644140555	/nfs/dbraw/zinc/14/05/55/644140555.db2.gz	DXUKNLOABHPCOI-KWQFWETISA-N	-1	3	379.232	2.203	10	5		GEBEHM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCO1	ZINC000158128213	644140537	/nfs/dbraw/zinc/14/05/37/644140537.db2.gz	DXUKNLOABHPCOI-KCJUWKMLSA-N	-1	3	379.232	2.203	10	5		GEBEHM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)c1	ZINC000178917957	644443954	/nfs/dbraw/zinc/44/39/54/644443954.db2.gz	KNGKHQGNTDPXGL-JOYOIKCWSA-N	-1	3	393.259	2.187	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000176740569	532148381	/nfs/dbraw/zinc/14/83/81/532148381.db2.gz	LEJLWHJKJYEFEC-LLVKDONJSA-N	-1	3	385.833	2.270	10	5		GEBEHM
CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000194430140	645327012	/nfs/dbraw/zinc/32/70/12/645327012.db2.gz	MZUJTCPZCHBIII-LLVKDONJSA-N	-1	3	392.275	2.120	10	5		GEBEHM
CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000194430120	645327125	/nfs/dbraw/zinc/32/71/25/645327125.db2.gz	MZUJTCPZCHBIII-NSHDSACASA-N	-1	3	392.275	2.120	10	5		GEBEHM
CC(C)(C)c1nn2c(nnc2SCC(=O)c2ccc([N+](=O)[O-])cc2)[n-]c1=O	ZINC000022721151	207259362	/nfs/dbraw/zinc/25/93/62/207259362.db2.gz	MRVJEJKPNRUJMP-UHFFFAOYSA-N	-1	3	388.409	2.406	10	5		GEBEHM
C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCO1	ZINC000158128516	644140479	/nfs/dbraw/zinc/14/04/79/644140479.db2.gz	DXUKNLOABHPCOI-LDYMZIIASA-N	-1	3	379.232	2.203	10	5		GEBEHM
Nc1nc(-c2ccccc2)c(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1	ZINC000017039678	206297123	/nfs/dbraw/zinc/29/71/23/206297123.db2.gz	XTGNJEWHFQHMGF-UHFFFAOYSA-N	-1	3	393.403	2.290	10	5		GEBEHM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)c1	ZINC000178917933	644443943	/nfs/dbraw/zinc/44/39/43/644443943.db2.gz	KNGKHQGNTDPXGL-BXKDBHETSA-N	-1	3	393.259	2.187	10	5		GEBEHM
C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCC2	ZINC000121709337	532042099	/nfs/dbraw/zinc/04/20/99/532042099.db2.gz	KFMPXEJXRAXUEO-VIFPVBQESA-N	-1	3	385.833	2.216	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000124542174	532124492	/nfs/dbraw/zinc/12/44/92/532124492.db2.gz	PEXZUHIDEIZMKN-LLVKDONJSA-N	-1	3	385.833	2.270	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl	ZINC000176740586	532148572	/nfs/dbraw/zinc/14/85/72/532148572.db2.gz	LEJLWHJKJYEFEC-NSHDSACASA-N	-1	3	385.833	2.270	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000177005194	532158788	/nfs/dbraw/zinc/15/87/88/532158788.db2.gz	ZRBPSXNWXIJDFP-GFCCVEGCSA-N	-1	3	385.833	2.270	10	5		GEBEHM
CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000177794977	532182860	/nfs/dbraw/zinc/18/28/60/532182860.db2.gz	HAXUWMMXZROEHE-CYBMUJFWSA-N	-1	3	383.451	2.202	10	5		GEBEHM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1	ZINC000121287326	643630621	/nfs/dbraw/zinc/63/06/21/643630621.db2.gz	PBQJTFCLESYPJH-CABZTGNLSA-N	-1	3	393.259	2.187	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl	ZINC000180108902	532257712	/nfs/dbraw/zinc/25/77/12/532257712.db2.gz	KJSZELABWYUHAK-SNVBAGLBSA-N	-1	3	385.833	2.270	10	5		GEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c(C(F)(F)F)c1	ZINC000121362761	532025475	/nfs/dbraw/zinc/02/54/75/532025475.db2.gz	JAVTYUZRHPDZOV-CABZTGNLSA-N	-1	3	382.360	2.443	10	5		GEBEHM
C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nnc2n1CCCC2	ZINC000121709497	532043598	/nfs/dbraw/zinc/04/35/98/532043598.db2.gz	KFMPXEJXRAXUEO-SECBINFHSA-N	-1	3	385.833	2.216	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000124542415	532124562	/nfs/dbraw/zinc/12/45/62/532124562.db2.gz	PEXZUHIDEIZMKN-NSHDSACASA-N	-1	3	385.833	2.270	10	5		GEBEHM
Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000177005212	532158717	/nfs/dbraw/zinc/15/87/17/532158717.db2.gz	ZRBPSXNWXIJDFP-LBPRGKRZSA-N	-1	3	385.833	2.270	10	5		GEBEHM
Cc1cnn(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c1	ZINC000163368405	531856788	/nfs/dbraw/zinc/85/67/88/531856788.db2.gz	QDWYUAMDEDPYMR-UHFFFAOYSA-N	-1	3	378.332	2.097	10	5		GEBEHM
CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000177794963	532183106	/nfs/dbraw/zinc/18/31/06/532183106.db2.gz	HAXUWMMXZROEHE-ZDUSSCGKSA-N	-1	3	383.451	2.202	10	5		GEBEHM
O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)c1	ZINC000178917947	644444038	/nfs/dbraw/zinc/44/40/38/644444038.db2.gz	KNGKHQGNTDPXGL-SKDRFNHKSA-N	-1	3	393.259	2.187	10	5		GEBEHM
CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000157062295	644128806	/nfs/dbraw/zinc/12/88/06/644128806.db2.gz	ZVVQVXYCYXVLJB-NSHDSACASA-N	-1	3	385.833	2.216	10	5		GEBEHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c(C(F)(F)F)c1	ZINC000121363131	532025306	/nfs/dbraw/zinc/02/53/06/532025306.db2.gz	JAVTYUZRHPDZOV-BXKDBHETSA-N	-1	3	382.360	2.443	10	5		GEBEHM
CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000157062444	644128584	/nfs/dbraw/zinc/12/85/84/644128584.db2.gz	ZVVQVXYCYXVLJB-LLVKDONJSA-N	-1	3	385.833	2.216	10	5		GEBEHM