smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1OC	ZINC000262153520	330000839	/nfs/dbraw/zinc/00/08/39/330000839.db2.gz	RQSNHMVBWKTFRZ-GJZGRUSLSA-N	2	1	294.395	0.902	10	10		CCCEMP
C[C@@H]([NH3+])c1ccc(N2CC[NH+](CCO)CC2)c(F)c1	ZINC000036231536	134813223	/nfs/dbraw/zinc/81/32/23/134813223.db2.gz	LYUUCKWZLLBXJT-LLVKDONJSA-N	2	1	267.348	0.960	10	10		CCCEMP
C[C@@H](c1ccc(O)cc1O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030927	174023601	/nfs/dbraw/zinc/02/36/01/174023601.db2.gz	YZGIDRKENGHLLM-NSHDSACASA-N	2	1	293.367	0.522	10	10		CCCEMP
C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(O)cc1O	ZINC000071148880	176044606	/nfs/dbraw/zinc/04/46/06/176044606.db2.gz	FAYMOXUWJFCPEK-UHFFFAOYSA-N	2	1	265.357	0.435	10	10		CCCEMP
C[C@H](c1ccccc1O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030948	174023217	/nfs/dbraw/zinc/02/32/17/174023217.db2.gz	KUBGERFNDQFMMH-GFCCVEGCSA-N	2	1	277.368	0.817	10	10		CCCEMP
CCOCc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC	ZINC000262153519	330000883	/nfs/dbraw/zinc/00/08/83/330000883.db2.gz	RQSNHMVBWKTFRZ-CABCVRRESA-N	2	1	294.395	0.902	10	10		CCCEMP
C[C@@H](c1cc(O)ccc1O)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030881	174022873	/nfs/dbraw/zinc/02/28/73/174022873.db2.gz	ZVFKCOPAMHYOLC-NSHDSACASA-N	2	1	293.367	0.522	10	10		CCCEMP
C[C@@H](c1cc(O)ccc1O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030881	174022874	/nfs/dbraw/zinc/02/28/74/174022874.db2.gz	ZVFKCOPAMHYOLC-NSHDSACASA-N	2	1	293.367	0.522	10	10		CCCEMP
C[C@H](c1cc(O)ccc1O)[N@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030882	174024041	/nfs/dbraw/zinc/02/40/41/174024041.db2.gz	ZVFKCOPAMHYOLC-LLVKDONJSA-N	2	1	293.367	0.522	10	10		CCCEMP
C[C@H](c1cc(O)ccc1O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030882	174024042	/nfs/dbraw/zinc/02/40/42/174024042.db2.gz	ZVFKCOPAMHYOLC-LLVKDONJSA-N	2	1	293.367	0.522	10	10		CCCEMP
CCOCc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1OC	ZINC000262153522	330000956	/nfs/dbraw/zinc/00/09/56/330000956.db2.gz	RQSNHMVBWKTFRZ-LSDHHAIUSA-N	2	1	294.395	0.902	10	10		CCCEMP
COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1C	ZINC000262153432	330000632	/nfs/dbraw/zinc/00/06/32/330000632.db2.gz	RLMDVJJAIOOLLD-OLZOCXBDSA-N	2	1	250.342	0.674	10	10		CCCEMP
CCOCc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1OC	ZINC000262153521	330000916	/nfs/dbraw/zinc/00/09/16/330000916.db2.gz	RQSNHMVBWKTFRZ-HUUCEWRRSA-N	2	1	294.395	0.902	10	10		CCCEMP
COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1C	ZINC000262153434	330000960	/nfs/dbraw/zinc/00/09/60/330000960.db2.gz	RLMDVJJAIOOLLD-STQMWFEESA-N	2	1	250.342	0.674	10	10		CCCEMP
C[C@H](c1ccc(O)cc1O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030928	174023277	/nfs/dbraw/zinc/02/32/77/174023277.db2.gz	YZGIDRKENGHLLM-LLVKDONJSA-N	2	1	293.367	0.522	10	10		CCCEMP
C[C@@H](c1ccccc1O)[N@@H+](C)CC(=O)N1CC[NH2+]CC1	ZINC000038030947	174024015	/nfs/dbraw/zinc/02/40/15/174024015.db2.gz	KUBGERFNDQFMMH-LBPRGKRZSA-N	2	1	277.368	0.817	10	10		CCCEMP
COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1C	ZINC000262153431	330000635	/nfs/dbraw/zinc/00/06/35/330000635.db2.gz	RLMDVJJAIOOLLD-CHWSQXEVSA-N	2	1	250.342	0.674	10	10		CCCEMP