smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)/C=C/c1cc(Cl)c(Cl)cc1[N+](=O)[O-]	ZINC000096111248	392245428	/nfs/dbraw/zinc/24/54/28/392245428.db2.gz	YWNIWODYHDITFJ-ONEGZZNKSA-N	1	1	261.108	3.434	40	5		CGBBMO
c1ccc2c(c1)cc1ccccc1c2C[NH+]1CCNCC1	ZINC000034742755	368977955	/nfs/dbraw/zinc/97/79/55/368977955.db2.gz	XOMAHPANTKOFLM-UHFFFAOYSA-N	1	1	276.383	3.398	40	5		CGBBMO
CC[NH+](CC)Cc1ccc([N+](=O)[O-])cc1Br	ZINC000073639554	369863391	/nfs/dbraw/zinc/86/33/91/369863391.db2.gz	RIFYCFFHUFUDEI-UHFFFAOYSA-N	1	1	287.157	3.199	40	5		CGBBMO
C[N@H+]1CC[C@@]23CC=CC[C@@H]2[C@@H]1Cc1ccc([N+](=O)[O-])cc13	ZINC000005158870	170072178	/nfs/dbraw/zinc/07/21/78/170072178.db2.gz	TYALTDRESBQHEV-PVAVHDDUSA-N	1	1	284.359	3.059	40	5		CGBBMO
O=[N+]([O-])c1ccc(C[NH+]2CCCCC2)c(Br)c1	ZINC000073639547	369863176	/nfs/dbraw/zinc/86/31/76/369863176.db2.gz	JNMYBMNHNBWSHT-UHFFFAOYSA-N	1	1	299.168	3.343	40	5		CGBBMO
O=[N+]([O-])c1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1	ZINC000003850810	275037120	/nfs/dbraw/zinc/03/71/20/275037120.db2.gz	AZALJXVEIVZCFX-UHFFFAOYSA-N	1	1	254.249	3.215	40	5		CGBBMO
O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2)c(F)c1	ZINC000199827112	333209204	/nfs/dbraw/zinc/20/92/04/333209204.db2.gz	OXJCRDOAMJAPQR-UHFFFAOYSA-N	1	1	260.268	3.024	40	5		CGBBMO