smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)[N-]C3=O	ZINC000005834851	204153490	/nfs/dbraw/zinc/15/34/90/204153490.db2.gz	RNHRERUWTCRGAX-UHFFFAOYSA-N	-1	3	381.435	4.969	1	5		GJBFHM
C[C@@H]1Oc2cc3oc4c([O-])c5c(cc4c(=O)c3c(O)c2C1(C)C)C=CC(C)(C)O5	ZINC000015256054	210153632	/nfs/dbraw/zinc/15/36/32/210153632.db2.gz	YNHZDINWEJCMRF-JTQLQIEISA-N	-1	3	394.423	4.600	3	5	biogenic,in-vitro	GJBFHM
CC(C)=CCc1c(=O)c2c([O-])c3cccc(O)c3[nH]c-2c2c1OC(C)(C)C=C2	ZINC000005114123	204112065	/nfs/dbraw/zinc/11/20/65/204112065.db2.gz	QJMYUQUOPGKBEZ-UHFFFAOYSA-N	-1	3	377.440	4.785	1	5	biogenic,in-vitro	GJBFHM
CC(C)=CCc1c([O-])c2c(=O)c3cccc(O)c3[nH]c2c2c1OC(C)(C)C=C2	ZINC000005114123	204112071	/nfs/dbraw/zinc/11/20/71/204112071.db2.gz	QJMYUQUOPGKBEZ-UHFFFAOYSA-N	-1	3	377.440	4.785	1	5	biogenic,in-vitro	GJBFHM
CC(=O)c1c([O-])c2cc(Cl)cc([N+](=O)[O-])c2nc1Nc1cc(F)cc(F)c1	ZINC000084634016	211172034	/nfs/dbraw/zinc/17/20/34/211172034.db2.gz	RFQGGYRAILCTMW-UHFFFAOYSA-N	-1	3	393.733	4.726	1	5		GJBFHM
O=C1[N-]C(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCCC3	ZINC000014945572	210132120	/nfs/dbraw/zinc/13/21/20/210132120.db2.gz	QOACHGCSGQZXAL-UHFFFAOYSA-N	-1	3	379.419	4.649	1	5		GJBFHM
CC1(C)C=Cc2c(cc3oc4c(O)c5c(cc4c([O-])c-3c2=O)C=CC(C)(C)O5)O1	ZINC000014684034	210123859	/nfs/dbraw/zinc/12/38/59/210123859.db2.gz	ZMJXZBDITYZMTK-UHFFFAOYSA-N	-1	3	392.407	4.726	1	5	biogenic,in-vitro	GJBFHM
CC(C)=CCc1c([O-])c2c(O)c3cccc(O)c3n(C)c-2c(CC=C(C)C)c1=O	ZINC000014780661	291139983	/nfs/dbraw/zinc/13/99/83/291139983.db2.gz	ISJBDHUGVDBULE-UHFFFAOYSA-N	-1	3	393.483	4.826	1	5	biogenic,in-vitro	GJBFHM
O=C1[N-]C(=O)c2c1c1c3ccc(Cl)cc3[nH]c1c1c2c2cccc3c2n1CCC3	ZINC000014945580	207033041	/nfs/dbraw/zinc/03/30/41/207033041.db2.gz	DPYREHVOBHTMGC-UHFFFAOYSA-N	-1	3	399.837	4.912	1	5		GJBFHM
CC1(C)C=Cc2c(cc3oc4c(cc(O)c5c4C=CC(C)(C)O5)c([O-])c-3c2=O)O1	ZINC000014686337	291140284	/nfs/dbraw/zinc/14/02/84/291140284.db2.gz	KDOCRANJCODQMR-UHFFFAOYSA-N	-1	3	392.407	4.726	1	5	biogenic,in-vitro	GJBFHM
CC1(C)C=Cc2c([O-])c3c(cc2O1)oc1c(cc(O)c2c1C=CC(C)(C)O2)c3=O	ZINC000014686337	291140289	/nfs/dbraw/zinc/14/02/89/291140289.db2.gz	KDOCRANJCODQMR-UHFFFAOYSA-N	-1	3	392.407	4.726	1	5	biogenic,in-vitro	GJBFHM
CC(C)=CCc1c([O-])c2c(=O)c3cccc(O)c3n(C)c2c2c1OC(C)(C)C=C2	ZINC000014697187	212117823	/nfs/dbraw/zinc/11/78/23/212117823.db2.gz	JLDLLLFQYFAMHX-UHFFFAOYSA-N	-1	3	391.467	4.796	1	5		GJBFHM
CC(C)=CCc1c(=O)c2c([O-])c3cccc(O)c3n(C)c-2c2c1OC(C)(C)C=C2	ZINC000014697187	212117820	/nfs/dbraw/zinc/11/78/20/212117820.db2.gz	JLDLLLFQYFAMHX-UHFFFAOYSA-N	-1	3	391.467	4.796	1	5		GJBFHM
Cc1cccc(C)c1Nc1c(-c2ccc(O)cc2[O-])nc2ccc([N+](=O)[O-])cn21	ZINC000072123308	222208582	/nfs/dbraw/zinc/20/85/82/222208582.db2.gz	GHTFRLHOFPAVIJ-UHFFFAOYSA-N	-1	3	390.399	4.681	1	5		GJBFHM
CC(=O)c1c([O-])c2cc(Cl)cc([N+](=O)[O-])c2nc1Nc1ccc(F)cc1	ZINC000084614674	222317769	/nfs/dbraw/zinc/31/77/69/222317769.db2.gz	FQCHKWCUQOMVKL-UHFFFAOYSA-N	-1	3	375.743	4.587	1	5		GJBFHM