smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C)cc(C[N@@H+]2CC=C(c3ccccc3)CC2)c1O	ZINC000006077397	181310421	/nfs/dbraw/zinc/31/04/21/181310421.db2.gz	FUDLNKZLVWDZKX-UHFFFAOYSA-N	1	1	309.409	3.999	3	10		DHCFMO
CCC[N@H+]1CCc2cc(F)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3	ZINC000014953323	560227773	/nfs/dbraw/zinc/22/77/73/560227773.db2.gz	TVIUJNLDORXPPC-HNNXBMFYSA-N	1	1	313.372	3.769	1	10	in-vitro	DHCFMO
CCC[N@@H+](CCc1ccc(N)cc1)[C@@H]1CCc2c(O)cccc2C1	ZINC000013446566	181851622	/nfs/dbraw/zinc/85/16/22/181851622.db2.gz	SPMVURQMVHUPOT-LJQANCHMSA-N	1	1	324.468	3.786	1	10		DHCFMO
Cc1ccc(C[NH+]2CCN(c3ccc(-c4ncco4)cc3)CC2)o1	ZINC000095586000	185381599	/nfs/dbraw/zinc/38/15/99/185381599.db2.gz	XLTNAGBYJGLKKA-UHFFFAOYSA-N	1	1	323.396	3.565	1	10		DHCFMO
CCC[N@H+]1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000043014509	183328027	/nfs/dbraw/zinc/32/80/27/183328027.db2.gz	IQXHLUBOFQZZLM-MRXNPFEDSA-N	1	1	309.409	3.939	1	10	in-vivo	DHCFMO
CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3[N@H+](C)CC2	ZINC000040392887	183060974	/nfs/dbraw/zinc/06/09/74/183060974.db2.gz	OTNVAWFTTKQJMY-CQSZACIVSA-N	1	1	313.422	3.572	1	10		DHCFMO
CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3[N@@H+](C)CC2	ZINC000040392887	183060977	/nfs/dbraw/zinc/06/09/77/183060977.db2.gz	OTNVAWFTTKQJMY-CQSZACIVSA-N	1	1	313.422	3.572	1	10		DHCFMO