smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@H+]1CCc2c(Cl)c(O)c(O)cc2[C@H](c2ccccc2)C1	ZINC000027109964	202152913	/nfs/dbraw/zinc/15/29/13/202152913.db2.gz	PKHZFDMRXUUJJW-KRWDZBQOSA-N	1	1	345.870	4.541	1	10		EJCFMO
C[N@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(-c2ccccc2)cc1	ZINC000035050008	202285130	/nfs/dbraw/zinc/28/51/30/202285130.db2.gz	VMXLXIXJLUZNKL-NRFANRHFSA-N	1	1	345.442	4.537	1	10		EJCFMO
O=[N+]([O-])c1cccc2[nH+]c3ccccc3c(NCc3ccccc3)c21	ZINC000028754676	202177209	/nfs/dbraw/zinc/17/72/09/202177209.db2.gz	CBRVCDIPAJTULE-UHFFFAOYSA-N	1	1	329.359	4.908	1	10		EJCFMO
COc1ccc2c(c1)[C@]1(CC=C(C)C)CC[N@@H+](C)[C@@H]1N2CC=C(C)C	ZINC000040379298	213294515	/nfs/dbraw/zinc/29/45/15/213294515.db2.gz	ONFAZZRKNWUZAY-YADHBBJMSA-N	1	1	340.511	4.737	1	10		EJCFMO
COc1ccc2c(c1)[C@]1(CC=C(C)C)CC[N@H+](C)[C@@H]1N2CC=C(C)C	ZINC000040379298	213294519	/nfs/dbraw/zinc/29/45/19/213294519.db2.gz	ONFAZZRKNWUZAY-YADHBBJMSA-N	1	1	340.511	4.737	1	10		EJCFMO
Nc1cc(CO)cc(Nc2c3ccccc3[nH+]c3c(Cl)cccc23)c1	ZINC000027525185	202156613	/nfs/dbraw/zinc/15/66/13/202156613.db2.gz	YCYFYKSQGGZAFE-UHFFFAOYSA-N	1	1	349.821	4.860	1	10		EJCFMO
COc1ccc(N(Cc2ccccc2)[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1	ZINC000040834302	213391110	/nfs/dbraw/zinc/39/11/10/213391110.db2.gz	QZTJPXKMMNUCBP-FQEVSTJZSA-N	1	1	338.495	4.575	1	10		EJCFMO
C[N@H+]1CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(-c2ccccc2)cc1	ZINC000035050009	213005763	/nfs/dbraw/zinc/00/57/63/213005763.db2.gz	VMXLXIXJLUZNKL-OAQYLSRUSA-N	1	1	345.442	4.537	1	10		EJCFMO
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CC[N@@H+](C)[C@@H]1N2CC=C(C)C	ZINC000040379299	213295026	/nfs/dbraw/zinc/29/50/26/213295026.db2.gz	ONFAZZRKNWUZAY-FGZHOGPDSA-N	1	1	340.511	4.737	1	10		EJCFMO
COc1ccc2c(c1)[C@@]1(CC=C(C)C)CC[N@H+](C)[C@@H]1N2CC=C(C)C	ZINC000040379299	213295028	/nfs/dbraw/zinc/29/50/28/213295028.db2.gz	ONFAZZRKNWUZAY-FGZHOGPDSA-N	1	1	340.511	4.737	1	10		EJCFMO