smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c(C)nn(C)c3C)CC2)cc1	ZINC000012799450	539575020	/nfs/dbraw/zinc/57/50/20/539575020.db2.gz	GXLSOVFCWMHVGW-UHFFFAOYSA-N	2	2	371.529	2.347	50	10		FECALP
C[C@@H]1C[NH+](Cc2cc(O)c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)C[C@H](C)O1	ZINC000012418030	539559467	/nfs/dbraw/zinc/55/94/67/539559467.db2.gz	YSJBHHZYQNLUMA-GEEKYZPCSA-N	2	2	364.486	2.316	50	10		FECALP
C[C@@H]1C[NH+](Cc2cc(O)c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)C[C@H](C)O1	ZINC000012418030	539559469	/nfs/dbraw/zinc/55/94/69/539559469.db2.gz	YSJBHHZYQNLUMA-GEEKYZPCSA-N	2	2	364.486	2.316	50	10		FECALP
C[C@@H]1C[N@@H+](Cc2cc(O)c(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)C[C@H](C)O1	ZINC000017823378	211188745	/nfs/dbraw/zinc/18/87/45/211188745.db2.gz	YSJBHHZYQNLUMA-YHUYYLMFSA-N	2	2	364.486	2.316	50	10		FECALP
C[C@@H]1C[N@H+](Cc2cc(O)c(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)C[C@H](C)O1	ZINC000017823378	211188739	/nfs/dbraw/zinc/18/87/39/211188739.db2.gz	YSJBHHZYQNLUMA-YHUYYLMFSA-N	2	2	364.486	2.316	50	10		FECALP
Oc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000848911724	681641696	/nfs/dbraw/zinc/64/16/96/681641696.db2.gz	XQTUGJFQXGPVFH-OAHLLOKOSA-N	2	2	355.276	2.498	50	10		FECALP
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4[nH+]ccn4C)C3)CC2)cc1	ZINC000020536488	524433628	/nfs/dbraw/zinc/43/36/28/524433628.db2.gz	DUKIOCBNLWNRPA-IBGZPJMESA-N	2	2	369.513	2.215	50	10		FECALP
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4[nH+]ccn4C)C3)CC2)cc1	ZINC000020536486	524432347	/nfs/dbraw/zinc/43/23/47/524432347.db2.gz	DUKIOCBNLWNRPA-LJQANCHMSA-N	2	2	369.513	2.215	50	10		FECALP
C[C@@H]1C[NH+](Cc2cc(O)c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)C[C@@H](C)O1	ZINC000012418028	207374509	/nfs/dbraw/zinc/37/45/09/207374509.db2.gz	YSJBHHZYQNLUMA-FPCVCCKLSA-N	2	2	364.486	2.316	50	10		FECALP
C[C@@H]1C[NH+](Cc2cc(O)c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)C[C@@H](C)O1	ZINC000012418028	207374515	/nfs/dbraw/zinc/37/45/15/207374515.db2.gz	YSJBHHZYQNLUMA-FPCVCCKLSA-N	2	2	364.486	2.316	50	10		FECALP
Oc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1	ZINC000848911723	681641524	/nfs/dbraw/zinc/64/15/24/681641524.db2.gz	XQTUGJFQXGPVFH-HNNXBMFYSA-N	2	2	355.276	2.498	50	10		FECALP
C[NH+]1CCN(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1	ZINC000019889865	211259816	/nfs/dbraw/zinc/25/98/16/211259816.db2.gz	SZIQVAVLQDQUII-UHFFFAOYSA-N	2	2	368.319	2.367	50	10		FECALP
C[C@@H]1C[NH+](Cc2cc(O)c(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)C[C@@H](C)O1	ZINC000015224390	211124867	/nfs/dbraw/zinc/12/48/67/211124867.db2.gz	YSJBHHZYQNLUMA-RUPPMWDTSA-N	2	2	364.486	2.316	50	10		FECALP