smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1OCc1ccccc1	ZINC000104951508	571388554	/nfs/dbraw/zinc/38/85/54/571388554.db2.gz	AMOZZGGPBFBHAO-FPLPWBNLSA-N	-2	1	521.267	3.746	40	5		KHBBML
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	ZINC000408602500	572273257	/nfs/dbraw/zinc/27/32/57/572273257.db2.gz	BXEFYJSTHMKEJK-FPYGCLRLSA-N	-2	1	561.473	3.839	40	5		KHBBML
O=C(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1cccc(I)c1	ZINC000408605556	572274464	/nfs/dbraw/zinc/27/44/64/572274464.db2.gz	MARHDPHIXSQVSR-RMKNXTFCSA-N	-2	1	534.266	3.589	40	5		KHBBML
CCn1c(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1	ZINC000408631135	572287099	/nfs/dbraw/zinc/28/70/99/572287099.db2.gz	CHMIAGWLACYKNG-GIJQJNRQSA-N	-2	1	502.505	3.822	40	5		KHBBML
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)C(=O)[O-])n2)c1	ZINC000408631138	572287140	/nfs/dbraw/zinc/28/71/40/572287140.db2.gz	CHWXUKLUORLCIL-WCSRMQSCSA-N	-2	1	570.321	3.925	40	5		KHBBML
CCOc1c(I)cc(I)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000409351244	1066802115	/nfs/dbraw/zinc/80/21/15/1066802115.db2.gz	ZXNSFBOACREGPL-ARJAWSKDSA-N	-2	1	555.066	3.574	40	5		KHBBML