smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)c(O)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1	ZINC000529663377	567537562	/nfs/dbraw/zinc/53/75/62/567537562.db2.gz	KTWIUIDIVPJZOF-UHFFFAOYSA-N	2	2	383.330	3.150	10	10		GGCELP
Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2	ZINC000530176045	567580367	/nfs/dbraw/zinc/58/03/67/567580367.db2.gz	AKPGNDNEHMHRFO-LBPRGKRZSA-N	2	2	390.119	3.291	10	10		GGCELP
Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2	ZINC000530176044	567580681	/nfs/dbraw/zinc/58/06/81/567580681.db2.gz	AKPGNDNEHMHRFO-GFCCVEGCSA-N	2	2	390.119	3.291	10	10		GGCELP
CCOc1ccc(O)c(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1	ZINC000237071206	1433387911	/nfs/dbraw/zinc/38/79/11/1433387911.db2.gz	ICUOBJKZQQYABE-UHFFFAOYSA-N	2	2	399.535	3.101	10	10		GGCELP
Cc1cc(Br)cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1O	ZINC000529663327	567537273	/nfs/dbraw/zinc/53/72/73/567537273.db2.gz	JROAMEZFVYESFA-UHFFFAOYSA-N	2	2	383.330	3.150	10	10		GGCELP
COc1ccc([C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[NH+]2CCCC2)cc1	ZINC000024981494	570401487	/nfs/dbraw/zinc/40/14/87/570401487.db2.gz	ATTHIIHJDFMVOU-DEOSSOPVSA-N	2	2	395.547	3.459	10	10		GGCELP
COc1ccc([C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[NH+]2CCCC2)cc1	ZINC000024981488	207299073	/nfs/dbraw/zinc/29/90/73/207299073.db2.gz	ATTHIIHJDFMVOU-XMMPIXPASA-N	2	2	395.547	3.459	10	10		GGCELP