smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)C[C@H](OC(C)=O)c1ccc2ccc3ccc(O)cc3c2c1	ZINC000001594889	204013967	/nfs/dbraw/zinc/01/39/67/204013967.db2.gz	GUNDBCMWZJKUBG-QFIPXVFZSA-N	0	3	351.446	4.645	40	5		FJBBHN
C[C@@H]([C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	ZINC000001676785	204017003	/nfs/dbraw/zinc/01/70/03/204017003.db2.gz	UNLWTAFIHVOCIF-HXPMCKFVSA-N	0	3	358.279	4.739	40	5		FJBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(Cl)cc3)o2)cc1	ZINC000007365269	263350311	/nfs/dbraw/zinc/35/03/11/263350311.db2.gz	NXCBVRDVUTWQLB-UHFFFAOYSA-N	0	3	371.824	4.710	40	5		FJBBHN
Cc1ccc(NCCN2CCCCC2)c2c(=O)c3ccccc3sc12	ZINC000004366918	204135197	/nfs/dbraw/zinc/13/51/97/204135197.db2.gz	KKFBLQFPAFFXJU-UHFFFAOYSA-N	0	3	352.503	4.621	40	5		FJBBHN
C[C@H]([C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	ZINC000001676786	210366015	/nfs/dbraw/zinc/36/60/15/210366015.db2.gz	UNLWTAFIHVOCIF-CWTRNNRKSA-N	0	3	358.279	4.739	40	5		FJBBHN
CCN(CC)C[C@@H](C)Nc1ccc(C)c2sc3ccccc3c(=O)c12	ZINC000005839937	204227128	/nfs/dbraw/zinc/22/71/28/204227128.db2.gz	AMSIIUAVEDAGKX-OAHLLOKOSA-N	0	3	354.519	4.865	40	5		FJBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000016385812	571177424	/nfs/dbraw/zinc/17/74/24/571177424.db2.gz	YJQLESIHGGNMFH-UHFFFAOYSA-N	0	3	374.655	4.757	40	5		FJBBHN
CN(C)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1	ZINC000001676782	210366448	/nfs/dbraw/zinc/36/64/48/210366448.db2.gz	WVNMCRLMRKIADH-UHFFFAOYSA-N	0	3	356.263	4.890	40	5		FJBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3)o2)c(Cl)c1	ZINC000007524224	263351736	/nfs/dbraw/zinc/35/17/36/263351736.db2.gz	ZGOZTIPVEVPZCS-UHFFFAOYSA-N	0	3	371.824	4.710	40	5		FJBBHN
O=[N+]([O-])c1ccc(NCCNCc2cccc(Cl)c2Cl)c(Cl)c1	ZINC000016383889	571177281	/nfs/dbraw/zinc/17/72/81/571177281.db2.gz	WAWOQAPXSIYPSC-UHFFFAOYSA-N	0	3	374.655	4.757	40	5		FJBBHN
CCN(CC)C[C@@H](OC(C)=O)c1ccc2ccc3ccc(O)cc3c2c1	ZINC000006382483	570646125	/nfs/dbraw/zinc/64/61/25/570646125.db2.gz	GUNDBCMWZJKUBG-JOCHJYFZSA-N	0	3	351.446	4.645	40	5		FJBBHN
C[C@@H]([C@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	ZINC000001676783	570504437	/nfs/dbraw/zinc/50/44/37/570504437.db2.gz	UNLWTAFIHVOCIF-BUXKBTBVSA-N	0	3	358.279	4.739	40	5		FJBBHN
CCN(CC)C[C@H](C)Nc1ccc(C)c2sc3ccccc3c(=O)c12	ZINC000004522709	570595246	/nfs/dbraw/zinc/59/52/46/570595246.db2.gz	AMSIIUAVEDAGKX-HNNXBMFYSA-N	0	3	354.519	4.865	40	5		FJBBHN
C[C@H]([C@H](O)c1ccc2cc(Br)c3ccccc3c2c1)N(C)C	ZINC000001676784	570504511	/nfs/dbraw/zinc/50/45/11/570504511.db2.gz	UNLWTAFIHVOCIF-BLVKFPJESA-N	0	3	358.279	4.739	40	5		FJBBHN
CCN(CC)CCNc1ccc(C)c2sc3cc(C)ccc3c(=O)c12	ZINC000004522808	207024923	/nfs/dbraw/zinc/02/49/23/207024923.db2.gz	KUPPLRFKZUGBLS-UHFFFAOYSA-N	0	3	354.519	4.785	40	5		FJBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3cccc(Cl)c3)o2)cc1	ZINC000007365284	263350141	/nfs/dbraw/zinc/35/01/41/263350141.db2.gz	ASZGZNCSEOBJHP-UHFFFAOYSA-N	0	3	371.824	4.710	40	5		FJBBHN
O=[N+]([O-])c1ccc(NCCNCc2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000016384744	571177442	/nfs/dbraw/zinc/17/74/42/571177442.db2.gz	NMHIGOLTLZSBJQ-UHFFFAOYSA-N	0	3	374.655	4.757	40	5		FJBBHN