smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[N@@H+](CCC[NH3+])CCCC[NH3+])c2c1	ZINC000026721064	563035668	/nfs/dbraw/zinc/03/56/68/563035668.db2.gz	BIGAHIIWPDZJMX-UHFFFAOYSA-N	4	1	444.023	4.242	1	10		IICFMP
O=C(NCc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1ccccc1Cl	ZINC000028766040	563064146	/nfs/dbraw/zinc/06/41/46/563064146.db2.gz	RUJULNCQXPSNRE-UHFFFAOYSA-N	2	1	427.976	4.167	1	10		IICFMP
O=C(NCc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1	ZINC000028763946	563063861	/nfs/dbraw/zinc/06/38/61/563063861.db2.gz	UKNMJEABPHDXPW-UHFFFAOYSA-N	2	1	427.976	4.167	1	10		IICFMP
CCC[N@@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCc2cc(O)c(O)cc2C1	ZINC000028964177	563070947	/nfs/dbraw/zinc/07/09/47/563070947.db2.gz	BTNRAFHTPKZOBC-RUZDIDTESA-N	2	1	437.628	4.270	1	10		IICFMP
COc1cccc(C[N@H+]2CCC[C@@H]2[C@H](O)C[NH2+]C(C)(C)Cc2ccc3ccccc3c2)c1O	ZINC000028564730	563057800	/nfs/dbraw/zinc/05/78/00/563057800.db2.gz	ROZPFCVQFHWPAO-JWQCQUIFSA-N	2	1	448.607	4.490	1	10		IICFMP
O=C(NCc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1)c1cccc(Cl)c1	ZINC000028765307	563063987	/nfs/dbraw/zinc/06/39/87/563063987.db2.gz	RPYZNFWCUSKOEQ-UHFFFAOYSA-N	2	1	427.976	4.167	1	10		IICFMP
CCC[N@@H+](CCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCc2cc(O)c(O)cc2C1	ZINC000028964182	563070964	/nfs/dbraw/zinc/07/09/64/563070964.db2.gz	BTNRAFHTPKZOBC-VWLOTQADSA-N	2	1	437.628	4.270	1	10		IICFMP