smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc([O-])c3c(=O)cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc-3o2)cc1	ZINC000013514950	291313762	/nfs/dbraw/zinc/31/37/62/291313762.db2.gz	NLZCOTZRUWYPTP-VOFPXKNKSA-N	-1	1	446.408	0.353	10	0	biogenic,in-vitro	ICAEMM
COc1ccc(-c2cc(=O)c3c([O-])cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1	ZINC000013514950	291313760	/nfs/dbraw/zinc/31/37/60/291313760.db2.gz	NLZCOTZRUWYPTP-VOFPXKNKSA-N	-1	1	446.408	0.353	10	0	biogenic,in-vitro	ICAEMM
CN(OC(C)(C)C)C(=O)[C@@H](CO[P@](=O)([O-])OC[C@H](O)CO)NC(=O)OC(C)(C)C	ZINC000026522611	557243193	/nfs/dbraw/zinc/24/31/93/557243193.db2.gz	BJHQYBPTSWJVHV-VXGBXAGGSA-N	-1	1	444.418	0.555	10	0		ICAEMM
CN(OC(C)(C)C)C(=O)[C@H](CO[P@](=O)([O-])OC[C@H](O)CO)NC(=O)OC(C)(C)C	ZINC000026522614	557243209	/nfs/dbraw/zinc/24/32/09/557243209.db2.gz	BJHQYBPTSWJVHV-NEPJUHHUSA-N	-1	1	444.418	0.555	10	0		ICAEMM
CC(C)C[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631229	568838817	/nfs/dbraw/zinc/83/88/17/568838817.db2.gz	IHVRJTCVMKJNRP-IAGOWNOFSA-N	-1	1	445.476	0.188	10	0		ICAEMM
CC(C)C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631232	568838807	/nfs/dbraw/zinc/83/88/07/568838807.db2.gz	IHVRJTCVMKJNRP-SJORKVTESA-N	-1	1	445.476	0.188	10	0		ICAEMM
CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)c1ccc(O)cc1)C(=O)[O-]	ZINC000028631233	568838812	/nfs/dbraw/zinc/83/88/12/568838812.db2.gz	IHVRJTCVMKJNRP-DLBZAZTESA-N	-1	1	445.476	0.188	10	0		ICAEMM
COc1ccc(-c2cc(=O)c3c([O-])cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1	ZINC000033834009	556638675	/nfs/dbraw/zinc/63/86/75/556638675.db2.gz	NLZCOTZRUWYPTP-MIUGBVLSSA-N	-1	1	446.408	0.353	10	0	biogenic	ICAEMM
CN1CCc2cccc3c2[C@H]1Cc1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c(O)c1-3	ZINC000077271761	569293130	/nfs/dbraw/zinc/29/31/30/569293130.db2.gz	PMDWDAGKJPXGPP-PBKSRAKCSA-N	-1	1	443.452	0.415	10	0	in-vitro	ICAEMM
CC[N@@H+](CCCC(=O)[O-])[C@@H](C)Cc1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000077287201	556998734	/nfs/dbraw/zinc/99/87/34/556998734.db2.gz	HMJRMNFIOHPIHI-QMOXGOJMSA-N	-1	1	441.477	0.075	10	0	in-vitro	ICAEMM
CC[N@@H+](CCCC(=O)[O-])[C@H](C)Cc1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000077287203	569293134	/nfs/dbraw/zinc/29/31/34/569293134.db2.gz	HMJRMNFIOHPIHI-LVEHSUOCSA-N	-1	1	441.477	0.075	10	0	in-vitro	ICAEMM