smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CN(Cc1cc([N+](=O)[O-])ccc1Br)CC(C)C	ZINC000675055924	564112042	/nfs/dbraw/zinc/11/20/42/564112042.db2.gz	DJWKOHHTTNVGPI-UHFFFAOYSA-N	0	3	343.265	4.471	10	5		EIBEHN
CC[C@@H](N)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000054107247	214217221	/nfs/dbraw/zinc/21/72/21/214217221.db2.gz	FWYYSTHWMKZOCL-LLVKDONJSA-N	0	3	325.162	4.027	10	5		EIBEHN
O=[N+]([O-])c1ccc(CNCCC2CCCC2)c(Br)c1	ZINC000037741258	213164389	/nfs/dbraw/zinc/16/43/89/213164389.db2.gz	DGTBHKGWSSJVRF-UHFFFAOYSA-N	0	3	327.222	4.027	10	5		EIBEHN
C[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Br)C1	ZINC000037516405	213152994	/nfs/dbraw/zinc/15/29/94/213152994.db2.gz	ZWLSOQOFTIENGQ-CMPLNLGQSA-N	0	3	327.222	4.026	10	5		EIBEHN
CCC(CC)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Br	ZINC000104440835	219387819	/nfs/dbraw/zinc/38/78/19/219387819.db2.gz	UOWFMKYBCLWVST-SNVBAGLBSA-N	0	3	329.238	4.272	10	5		EIBEHN
CCC(CC)[C@H](C)NCc1ccc([N+](=O)[O-])cc1Br	ZINC000104440837	219387490	/nfs/dbraw/zinc/38/74/90/219387490.db2.gz	UOWFMKYBCLWVST-JTQLQIEISA-N	0	3	329.238	4.272	10	5		EIBEHN
C[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Br)C1	ZINC000037516402	213153447	/nfs/dbraw/zinc/15/34/47/213153447.db2.gz	ZWLSOQOFTIENGQ-PWSUYJOCSA-N	0	3	327.222	4.026	10	5		EIBEHN
C[C@@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Br)C1	ZINC000037516404	213153643	/nfs/dbraw/zinc/15/36/43/213153643.db2.gz	ZWLSOQOFTIENGQ-ZYHUDNBSSA-N	0	3	327.222	4.026	10	5		EIBEHN
CC[C@H](N)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000054107246	214216591	/nfs/dbraw/zinc/21/65/91/214216591.db2.gz	FWYYSTHWMKZOCL-NSHDSACASA-N	0	3	325.162	4.027	10	5		EIBEHN
C[C@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Br)C1	ZINC000037516403	213152745	/nfs/dbraw/zinc/15/27/45/213152745.db2.gz	ZWLSOQOFTIENGQ-JQWIXIFHSA-N	0	3	327.222	4.026	10	5		EIBEHN