smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN([C@H]2Cc3ccccc3Sc3ccc([S-])cc32)CC1	ZINC000022939887	202096173	/nfs/dbraw/zinc/09/61/73/202096173.db2.gz	FSMMNOOABRVLIP-KRWDZBQOSA-N	-1	3	342.533	3.971	1	10		EHCFHM
CCC(=O)N[C@@H](c1cccn1C)c1cc(Cl)c2cccnc2c1[O-]	ZINC000036380892	202323859	/nfs/dbraw/zinc/32/38/59/202323859.db2.gz	MQDUWUKYYLEYCB-MRXNPFEDSA-N	-1	3	343.814	3.548	1	10		EHCFHM
CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2[O-])N1	ZINC000102864463	204053176	/nfs/dbraw/zinc/05/31/76/204053176.db2.gz	SZHICFXLANQKCX-UZLBHIALSA-N	-1	3	338.407	3.522	1	10		EHCFHM
C[C@H]1Oc2c(c3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)C1(C)C	ZINC000071295934	203091208	/nfs/dbraw/zinc/09/12/08/203091208.db2.gz	BMQYTTWLJMDLLS-SNVBAGLBSA-N	-1	3	338.359	3.930	1	10		EHCFHM
CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@H](c2ccccc2[O-])N1	ZINC000102864465	204053529	/nfs/dbraw/zinc/05/35/29/204053529.db2.gz	SZHICFXLANQKCX-OXQOHEQNSA-N	-1	3	338.407	3.522	1	10		EHCFHM
CCC(=O)N[C@H](c1cccn1C)c1cc(Cl)c2cccnc2c1[O-]	ZINC000038142069	213202680	/nfs/dbraw/zinc/20/26/80/213202680.db2.gz	MQDUWUKYYLEYCB-INIZCTEOSA-N	-1	3	343.814	3.548	1	10		EHCFHM
O=C1c2ccccc2C(=O)c2c3nc(-c4ccccc4[O-])[nH]c3ccc21	ZINC000066073782	215006194	/nfs/dbraw/zinc/00/61/94/215006194.db2.gz	PXQACXGBBNTXJM-UHFFFAOYSA-N	-1	3	340.338	3.711	1	10		EHCFHM
COc1cc(C=O)cc2c(C)c(-c3cc([O-])c(O)c(OC)c3)oc21	ZINC000014649994	291002032	/nfs/dbraw/zinc/00/20/32/291002032.db2.gz	OCUCABXDCOOETO-UHFFFAOYSA-N	-1	3	328.320	3.649	1	10	biogenic,in-vitro	EHCFHM
CC[C@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2[O-])N1	ZINC000102864461	219236946	/nfs/dbraw/zinc/23/69/46/219236946.db2.gz	SZHICFXLANQKCX-OXJNMPFZSA-N	-1	3	338.407	3.522	1	10		EHCFHM
CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2[O-])N1	ZINC000004729607	210263372	/nfs/dbraw/zinc/26/33/72/210263372.db2.gz	ONXPZFWAQCUISZ-UZLBHIALSA-N	-1	3	338.407	3.627	3	10		EHCFHM
CN1CCN([C@@H]2Cc3ccccc3Sc3ccc([S-])cc32)CC1	ZINC000022939885	212337958	/nfs/dbraw/zinc/33/79/58/212337958.db2.gz	FSMMNOOABRVLIP-QGZVFWFLSA-N	-1	3	342.533	3.971	1	10		EHCFHM
NC(=O)N[C@H](c1c[nH]c2ccccc21)c1c([O-])ccc2ccccc21	ZINC000098082293	219081156	/nfs/dbraw/zinc/08/11/56/219081156.db2.gz	UPEUMLVXHCJAEY-LJQANCHMSA-N	-1	3	331.375	3.784	1	10		EHCFHM
CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2[O-])N1	ZINC000004729605	210262377	/nfs/dbraw/zinc/26/23/77/210262377.db2.gz	ONXPZFWAQCUISZ-OXJNMPFZSA-N	-1	3	338.407	3.627	3	10		EHCFHM
CC[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2[O-])N1	ZINC000004729733	210263067	/nfs/dbraw/zinc/26/30/67/210263067.db2.gz	WZZIWDXHFLCAFY-UZLBHIALSA-N	-1	3	338.407	3.771	3	10	aggregator	EHCFHM
C[C@H](CO)c1cc2c(c(O)c1[O-])[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O	ZINC000095910291	291003541	/nfs/dbraw/zinc/00/35/41/291003541.db2.gz	YNCLENYSOZNFFY-PLTJGGDTSA-N	-1	3	332.440	3.864	1	10	biogenic,in-vitro	EHCFHM
CC(C)c1cc2c(c(O)c1[O-])[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)C2=O	ZINC000103212071	219270125	/nfs/dbraw/zinc/27/01/25/219270125.db2.gz	DLFBGJCOHIZRGA-CMKODMSKSA-N	-1	3	332.440	3.862	1	10		EHCFHM
CCOC(=O)/C=C\c1ccc([O-])c2c1C=Cc1cc(O)c(O)cc1O2	ZINC000095919070	291000151	/nfs/dbraw/zinc/00/01/51/291000151.db2.gz	WIXDFLWXLUYIGH-YVMONPNESA-N	-1	3	340.331	3.656	1	10	biogenic,in-vitro	EHCFHM
CC(C)=CCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O	ZINC000005940186	560203803	/nfs/dbraw/zinc/20/38/03/560203803.db2.gz	AIEGEPAELPMAPY-UHFFFAOYSA-N	-1	3	338.359	3.527	1	10	biogenic,in-vitro	EHCFHM
CC[C@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2[O-])N1	ZINC000004729734	210262626	/nfs/dbraw/zinc/26/26/26/210262626.db2.gz	WZZIWDXHFLCAFY-OXQOHEQNSA-N	-1	3	338.407	3.771	3	10	aggregator	EHCFHM
CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2[O-])N1	ZINC000004729602	210262403	/nfs/dbraw/zinc/26/24/03/210262403.db2.gz	ONXPZFWAQCUISZ-JXFKEZNVSA-N	-1	3	338.407	3.627	3	10		EHCFHM
CC(C)c1c([O-])c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)C(=O)CC[C@]21C	ZINC000014774104	290999085	/nfs/dbraw/zinc/99/90/85/290999085.db2.gz	CZIBUABEIQOGMV-YBTHPKLGSA-N	-1	3	346.423	3.776	1	10	biogenic,in-vitro	EHCFHM
C[C@H](CO)c1cc2c(c(O)c1[O-])[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O	ZINC000086004593	217688545	/nfs/dbraw/zinc/68/85/45/217688545.db2.gz	YNCLENYSOZNFFY-SZELWCTASA-N	-1	3	332.440	3.864	1	10		EHCFHM
CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N\N1CCSCC1	ZINC000102402075	219200781	/nfs/dbraw/zinc/20/07/81/219200781.db2.gz	HBMNUHXPDAGUEP-HNENSFHCSA-N	-1	3	336.392	3.531	1	10		EHCFHM
CC[C@@]1(C)NC(c2ccc3c(c2)OCO3)=C[C@@H](c2ccccc2[O-])N1	ZINC000102864457	219236802	/nfs/dbraw/zinc/23/68/02/219236802.db2.gz	SZHICFXLANQKCX-JXFKEZNVSA-N	-1	3	338.407	3.522	1	10		EHCFHM