smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164995240	722210125	/nfs/dbraw/zinc/21/01/25/722210125.db2.gz	LPJHQFGFORGXID-VWLOTQADSA-N	0	3	447.514	4.744	20	5		IJBDHN
Cc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164995233	722210219	/nfs/dbraw/zinc/21/02/19/722210219.db2.gz	LPJHQFGFORGXID-RUZDIDTESA-N	0	3	447.514	4.744	20	5		IJBDHN
FC1(F)CCN(c2ccc3ccc4cccnc4c3n2)C[C@]12CCN(Cc1ccccn1)C2	ZINC001164906234	721694351	/nfs/dbraw/zinc/69/43/51/721694351.db2.gz	MLMKFHUTAAJTJA-RUZDIDTESA-N	0	3	445.517	4.916	20	5		IJBDHN
FC1(F)CCN(c2ccc3ccc4cccnc4c3n2)C[C@@]12CCN(Cc1ccccn1)C2	ZINC001164906235	721693887	/nfs/dbraw/zinc/69/38/87/721693887.db2.gz	MLMKFHUTAAJTJA-VWLOTQADSA-N	0	3	445.517	4.916	20	5		IJBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1	ZINC001164994293	722213393	/nfs/dbraw/zinc/21/33/93/722213393.db2.gz	AGBAEFIQRZZXNX-JOCHJYFZSA-N	0	3	441.894	4.575	20	5		IJBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1	ZINC001164994296	722213761	/nfs/dbraw/zinc/21/37/61/722213761.db2.gz	AGBAEFIQRZZXNX-QFIPXVFZSA-N	0	3	441.894	4.575	20	5		IJBDHN