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-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1	ZINC000033400942	557808071	/nfs/dbraw/zinc/80/80/71/557808071.db2.gz	UXANMEMITBNACN-UHFFFAOYSA-N	-2	3	433.467	3.196	40	5		IGBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1	ZINC000020492481	527387684	/nfs/dbraw/zinc/38/76/84/527387684.db2.gz	SVKQOWQSKHPUKP-UHFFFAOYSA-N	-2	3	447.494	3.338	40	5		IGBBHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)[O-])o1)c1c(C)[n-][nH]c1=O	ZINC000409046406	556930814	/nfs/dbraw/zinc/93/08/14/556930814.db2.gz	KLJAQUZJCPETFA-UHFFFAOYSA-N	-3	3	439.384	3.207	40	5		IGBBHL
CCCc1nc(SC(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000408633079	557423004	/nfs/dbraw/zinc/42/30/04/557423004.db2.gz	VSNUTMOEQFJYSZ-POHAHGRESA-N	-3	3	429.252	3.351	40	5		IGBBHL
O=c1nc(C=Cc2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000108113739	569252336	/nfs/dbraw/zinc/25/23/36/569252336.db2.gz	MMZPRUVJFRLVMI-MDZDMXLPSA-N	-2	3	433.380	3.053	40	5		IGBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000017086145	569172294	/nfs/dbraw/zinc/17/22/94/569172294.db2.gz	IEGVNGKPUWBJMG-UHFFFAOYSA-N	-2	3	449.423	3.468	40	5		IGBBHL
CCCc1nc(SC(=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[n-]1	ZINC000408631330	557422803	/nfs/dbraw/zinc/42/28/03/557422803.db2.gz	HQKWGLMKTSZMLW-YHYXMXQVSA-N	-3	3	429.252	3.351	40	5		IGBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)[O-])n[n-]1	ZINC000408632270	557422750	/nfs/dbraw/zinc/42/27/50/557422750.db2.gz	PLHRUJCPASAAJC-YHYXMXQVSA-N	-3	3	429.252	3.351	40	5		IGBBHL