smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)/C(=C/c2ccc([O-])c(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1	ZINC000408797581	556857576	/nfs/dbraw/zinc/85/75/76/556857576.db2.gz	RZYFVLNRUFAHNI-LBVWADOBSA-N	-2	1	433.283	4.087	40	30		IIEBML
O=C([O-])c1ccc(COc2c(Br)cc(Br)cc2/C=N/[O-])cc1	ZINC000409076049	556943782	/nfs/dbraw/zinc/94/37/82/556943782.db2.gz	XAUWOCVSOGIOGY-CNHKJKLMSA-N	-2	1	429.064	4.297	40	30		IIEBML
CCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)S/C1=N\c1cccc(C(=O)[O-])c1	ZINC000409062267	556939909	/nfs/dbraw/zinc/93/99/09/556939909.db2.gz	QYEQVSVMMUSALZ-RMMZIZBISA-N	-2	1	447.310	4.477	40	30		IIEBML
Cc1c(/N=C2\S/C(=C\c3ccc([O-])c(Br)c3)C(=O)N2C)cccc1C(=O)[O-]	ZINC000408939807	556896383	/nfs/dbraw/zinc/89/63/83/556896383.db2.gz	UKLFREVPZROQFJ-UHSBFGGESA-N	-2	1	447.310	4.395	40	30		IIEBML
CCN1C(=O)/C(=C\c2ccc([O-])c(Br)c2)S/C1=N\c1ccc(C(=O)[O-])cc1	ZINC000409059227	556936387	/nfs/dbraw/zinc/93/63/87/556936387.db2.gz	VOTDWIVHNSQZOA-JSDDMWTDSA-N	-2	1	447.310	4.477	40	30		IIEBML
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc([N+](=O)[O-])c([O-])cc1[O-]	ZINC000059566780	557824262	/nfs/dbraw/zinc/82/42/62/557824262.db2.gz	XUBJXVTUFSNEHM-ACAGNQJTSA-N	-2	1	426.237	4.204	40	30		IIEBML