smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000104448191	186005633	/nfs/dbraw/zinc/00/56/33/186005633.db2.gz	KMNFUFCNGMGTQD-JTQLQIEISA-N	0	3	284.787	4.163	10	5		CIBEHN
CC(C)CC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526151	262246187	/nfs/dbraw/zinc/24/61/87/262246187.db2.gz	OLGKKFOGKSMZJD-QWHCGFSZSA-N	0	3	264.369	4.070	10	5		CIBEHN
CC(C)CC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526149	262246060	/nfs/dbraw/zinc/24/60/60/262246060.db2.gz	OLGKKFOGKSMZJD-STQMWFEESA-N	0	3	264.369	4.070	10	5		CIBEHN
CCC(C)(C)CCN[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000538224663	333580336	/nfs/dbraw/zinc/58/03/36/333580336.db2.gz	INZQDFCJCAFDLE-LBPRGKRZSA-N	0	3	264.369	4.072	10	5		CIBEHN
CC[C@H](N[C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000037010545	522742700	/nfs/dbraw/zinc/74/27/00/522742700.db2.gz	PDLGSVNCFKHBPR-RISCZKNCSA-N	0	3	290.388	4.458	10	5		CIBEHN
CC(C)CC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526148	262246412	/nfs/dbraw/zinc/24/64/12/262246412.db2.gz	OLGKKFOGKSMZJD-OLZOCXBDSA-N	0	3	264.369	4.070	10	5		CIBEHN
C[C@@H](NCCCC(C)(C)C)c1ccccc1[N+](=O)[O-]	ZINC000313267596	327105741	/nfs/dbraw/zinc/10/57/41/327105741.db2.gz	KUFYCONMXGZGFD-GFCCVEGCSA-N	0	3	264.369	4.072	10	5		CIBEHN
Cc1cccc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1	ZINC000157248917	334764634	/nfs/dbraw/zinc/76/46/34/334764634.db2.gz	PECHNVLGAXCSLI-KGLIPLIRSA-N	0	3	284.359	4.315	10	5		CIBEHN
CC[C@H](N[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000037010543	522697410	/nfs/dbraw/zinc/69/74/10/522697410.db2.gz	PDLGSVNCFKHBPR-FZMZJTMJSA-N	0	3	290.388	4.458	10	5		CIBEHN
C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000020122018	171002323	/nfs/dbraw/zinc/00/23/23/171002323.db2.gz	XXOLNDLGIPMGTN-NSHDSACASA-N	0	3	290.750	4.099	10	5		CIBEHN
C[C@@H](NC[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-]	ZINC000020526209	262246316	/nfs/dbraw/zinc/24/63/16/262246316.db2.gz	CSJGOYFWEHQJPQ-ZIAGYGMSSA-N	0	3	284.359	4.049	10	5		CIBEHN
C[C@H](NCCC1=CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000020526127	262245348	/nfs/dbraw/zinc/24/53/48/262245348.db2.gz	YCZQBAJZCBKJKS-ZDUSSCGKSA-N	0	3	274.364	4.136	10	5		CIBEHN
C[C@@H](CN[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020526208	262246048	/nfs/dbraw/zinc/24/60/48/262246048.db2.gz	CSJGOYFWEHQJPQ-UONOGXRCSA-N	0	3	284.359	4.049	10	5		CIBEHN
CCC(C)(C)CCN[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000538224662	333580329	/nfs/dbraw/zinc/58/03/29/333580329.db2.gz	INZQDFCJCAFDLE-GFCCVEGCSA-N	0	3	264.369	4.072	10	5		CIBEHN
C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000020122017	171002267	/nfs/dbraw/zinc/00/22/67/171002267.db2.gz	XXOLNDLGIPMGTN-LLVKDONJSA-N	0	3	290.750	4.099	10	5		CIBEHN
C[C@@H](NCCC1=CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000020526126	262245304	/nfs/dbraw/zinc/24/53/04/262245304.db2.gz	YCZQBAJZCBKJKS-CYBMUJFWSA-N	0	3	274.364	4.136	10	5		CIBEHN
C[C@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020526207	262246095	/nfs/dbraw/zinc/24/60/95/262246095.db2.gz	CSJGOYFWEHQJPQ-KGLIPLIRSA-N	0	3	284.359	4.049	10	5		CIBEHN
CC(C)CC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	ZINC000020526150	262246078	/nfs/dbraw/zinc/24/60/78/262246078.db2.gz	OLGKKFOGKSMZJD-CHWSQXEVSA-N	0	3	264.369	4.070	10	5		CIBEHN
CC[C@@H](N[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000037010544	522913100	/nfs/dbraw/zinc/91/31/00/522913100.db2.gz	PDLGSVNCFKHBPR-SMDDNHRTSA-N	0	3	290.388	4.458	10	5		CIBEHN
C[C@@H](CN[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000020526206	262246432	/nfs/dbraw/zinc/24/64/32/262246432.db2.gz	CSJGOYFWEHQJPQ-KBPBESRZSA-N	0	3	284.359	4.049	10	5		CIBEHN
CC[C@H](NCc1ccc(C)s1)c1cccc([N+](=O)[O-])c1	ZINC000050225182	522646645	/nfs/dbraw/zinc/64/66/45/522646645.db2.gz	XMSBPZSELHBNDF-HNNXBMFYSA-N	0	3	290.388	4.206	10	5		CIBEHN
CCC(CC)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl	ZINC000104448187	186005738	/nfs/dbraw/zinc/00/57/38/186005738.db2.gz	KMNFUFCNGMGTQD-SNVBAGLBSA-N	0	3	284.787	4.163	10	5		CIBEHN
Nc1ccc2c(c1)nc1cc(N)ccc1c2-c1ccccc1	ZINC000027103027	171507578	/nfs/dbraw/zinc/50/75/78/171507578.db2.gz	WTUUMEGFSMFEKZ-UHFFFAOYSA-N	0	3	285.350	4.219	10	5		CIBEHN
CC(C)CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C	ZINC000042582379	174806349	/nfs/dbraw/zinc/80/63/49/174806349.db2.gz	VXGGPMZWFXWKOD-UHFFFAOYSA-N	0	3	284.787	4.115	10	5		CIBEHN
CC[C@H](NCc1sccc1C)c1cccc([N+](=O)[O-])c1	ZINC000090224570	260240102	/nfs/dbraw/zinc/24/01/02/260240102.db2.gz	BVLNEOGVGRYRII-AWEZNQCLSA-N	0	3	290.388	4.206	10	5		CIBEHN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cccs1	ZINC000178175659	261731024	/nfs/dbraw/zinc/73/10/24/261731024.db2.gz	SBYABLOJYBKFGN-NWDGAFQWSA-N	0	3	290.388	4.377	10	5		CIBEHN
CC[C@@H](NCc1ccc(C)s1)c1cccc([N+](=O)[O-])c1	ZINC000050225183	522874181	/nfs/dbraw/zinc/87/41/81/522874181.db2.gz	XMSBPZSELHBNDF-OAHLLOKOSA-N	0	3	290.388	4.206	10	5		CIBEHN
CC[C@@H](N[C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1	ZINC000037010546	522937746	/nfs/dbraw/zinc/93/77/46/522937746.db2.gz	PDLGSVNCFKHBPR-BXUZGUMPSA-N	0	3	290.388	4.458	10	5		CIBEHN