smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1[O-]	ZINC000183499346	496010960	/nfs/dbraw/zinc/01/09/60/496010960.db2.gz	OCAOUUNSQBLAGL-VGSWGCGISA-N	1	3	354.494	3.488	10	10		FGCEHO
C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccc1[O-]	ZINC000183499325	496011110	/nfs/dbraw/zinc/01/11/10/496011110.db2.gz	OCAOUUNSQBLAGL-JTSKRJEESA-N	1	3	354.494	3.488	10	10		FGCEHO
C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1[O-]	ZINC000183499386	496010527	/nfs/dbraw/zinc/01/05/27/496010527.db2.gz	OCAOUUNSQBLAGL-VGOFRKELSA-N	1	3	354.494	3.488	10	10		FGCEHO
C[N@@H+](Cc1ccccc1[O-])CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000179572014	495645432	/nfs/dbraw/zinc/64/54/32/495645432.db2.gz	LVFYWUPHILFZOF-JOCHJYFZSA-N	1	3	354.494	3.270	10	10		FGCEHO
C[N@H+](Cc1ccccc1[O-])CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000179572014	495645434	/nfs/dbraw/zinc/64/54/34/495645434.db2.gz	LVFYWUPHILFZOF-JOCHJYFZSA-N	1	3	354.494	3.270	10	10		FGCEHO
C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccc1[O-]	ZINC000183499367	496010939	/nfs/dbraw/zinc/01/09/39/496010939.db2.gz	OCAOUUNSQBLAGL-HTAPYJJXSA-N	1	3	354.494	3.488	10	10		FGCEHO
C[N@@H+](Cc1ccccc1[O-])CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000179571997	495645910	/nfs/dbraw/zinc/64/59/10/495645910.db2.gz	LVFYWUPHILFZOF-QFIPXVFZSA-N	1	3	354.494	3.270	10	10		FGCEHO
C[N@H+](Cc1ccccc1[O-])CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000179571997	495645915	/nfs/dbraw/zinc/64/59/15/495645915.db2.gz	LVFYWUPHILFZOF-QFIPXVFZSA-N	1	3	354.494	3.270	10	10		FGCEHO