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)c1ccc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000009186023	520881309	/nfs/dbraw/zinc/88/13/09/520881309.db2.gz	YALGVCZFADZOGT-CJLVFECKSA-N	0	1	461.544	2.908	10	30		JFEEMN
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000102700000	130246062	/nfs/dbraw/zinc/24/60/62/130246062.db2.gz	AIOCNYOQJVVAJT-JUZCTFJNSA-N	0	1	489.933	2.735	10	30		JFEEMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102437665	536561004	/nfs/dbraw/zinc/56/10/04/536561004.db2.gz	PICARNUASGIMEM-QQYUXEJHSA-N	0	1	479.577	2.905	10	30		JFEEMN
CCN(CC)c1ccc(CN=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(O)c1	ZINC000009138525	520883500	/nfs/dbraw/zinc/88/35/00/520883500.db2.gz	KWWXMEKBGXAMGM-PXLXIMEGSA-N	0	1	477.543	2.614	10	30		JFEEMN
NS(=O)(=O)c1ccc(N=NCc2cc(Br)cc(Br)c2O)c([N+](=O)[O-])c1	ZINC000009137567	527315611	/nfs/dbraw/zinc/31/56/11/527315611.db2.gz	KJTMUZXAEILJPV-UBKPWBPPSA-N	0	1	494.121	2.919	10	30		JFEEMN
COc1ccc(C(=O)C2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1	ZINC000102437672	536561371	/nfs/dbraw/zinc/56/13/71/536561371.db2.gz	PICARNUASGIMEM-MYXKAAJQSA-N	0	1	479.577	2.905	10	30		JFEEMN