smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(Cl)cc1)c1ccc(OC(=S)Nc2ccc(Cl)cc2)cc1	ZINC000003082579	568854277	/nfs/dbraw/zinc/85/42/77/568854277.db2.gz	ZGXQTHRBINMOES-UHFFFAOYSA-N	0	2	417.317	6.022	10	0		HKAELN
CC(C)=CCC/C(C)=C/Cc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)ccc1O	ZINC000005854072	291284719	/nfs/dbraw/zinc/28/47/19/291284719.db2.gz	UXXAQCSTQAIKEM-FRKPEAEDSA-N	0	2	406.478	5.812	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCC/C(C)=C/Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O	ZINC000005854072	291284720	/nfs/dbraw/zinc/28/47/20/291284720.db2.gz	UXXAQCSTQAIKEM-FRKPEAEDSA-N	0	2	406.478	5.812	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1c(O)cc2occ(-c3ccc4c(c3O)C=CC(C)(C)O4)c(O)c-2c1=O	ZINC000014558332	291286324	/nfs/dbraw/zinc/28/63/24/291286324.db2.gz	QQUXNFZAFOMGTQ-UHFFFAOYSA-N	0	2	420.461	5.270	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1c(O)c2c(cc1-c1coc3cc(O)cc(=O)c-3c1O)C=CC(C)(C)O2	ZINC000014679177	291285789	/nfs/dbraw/zinc/28/57/89/291285789.db2.gz	MXRSYAGBZPTIHM-UHFFFAOYSA-N	0	2	420.461	5.270	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1c(O)c2c(cc1-c1coc3cc(O)cc(O)c3c1=O)C=CC(C)(C)O2	ZINC000014679177	291285791	/nfs/dbraw/zinc/28/57/91/291285791.db2.gz	MXRSYAGBZPTIHM-UHFFFAOYSA-N	0	2	420.461	5.270	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1cc(-c2oc3cc(O)c(CC=C(C)C)c(=O)c-3c(O)c2O)ccc1O	ZINC000014727563	291287344	/nfs/dbraw/zinc/28/73/44/291287344.db2.gz	XHCCZOWAHHBCAK-UHFFFAOYSA-N	0	2	422.477	5.300	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O	ZINC000014727563	291287345	/nfs/dbraw/zinc/28/73/45/291287345.db2.gz	XHCCZOWAHHBCAK-UHFFFAOYSA-N	0	2	422.477	5.300	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)cc(=O)c-3c(O)c2O)ccc1O	ZINC000014727564	291287359	/nfs/dbraw/zinc/28/73/59/291287359.db2.gz	KNMMNUQOUANAJS-UHFFFAOYSA-N	0	2	422.477	5.300	10	0	biogenic,in-vivo	HKAELN
CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)ccc1O	ZINC000014727564	291287360	/nfs/dbraw/zinc/28/73/60/291287360.db2.gz	KNMMNUQOUANAJS-UHFFFAOYSA-N	0	2	422.477	5.300	10	0	biogenic,in-vivo	HKAELN
CC(C)=CCc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc(CC=C(C)C)c1O	ZINC000014780845	291287041	/nfs/dbraw/zinc/28/70/41/291287041.db2.gz	DOFKPAVSYGZVQD-UHFFFAOYSA-N	0	2	406.478	5.594	10	0	endogenous,in-man	HKAELN
CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(CC=C(C)C)c1O	ZINC000014780845	291287047	/nfs/dbraw/zinc/28/70/47/291287047.db2.gz	DOFKPAVSYGZVQD-UHFFFAOYSA-N	0	2	406.478	5.594	10	0	endogenous,in-man	HKAELN
CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(=O)c-3c(O)c21)OC(C)(C)C=C4	ZINC000014951190	558681049	/nfs/dbraw/zinc/68/10/49/558681049.db2.gz	GDQXJMLXEYSICD-IBGZPJMESA-N	0	2	418.445	5.455	10	0	endogenous,in-man	HKAELN
CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(=O)c-3c(O)c21)OC(C)(C)C=C4	ZINC000014951196	558680939	/nfs/dbraw/zinc/68/09/39/558680939.db2.gz	GDQXJMLXEYSICD-LJQANCHMSA-N	0	2	418.445	5.455	10	0	endogenous,in-man	HKAELN
CC(C)=CCC/C(C)=C/Cc1c(O)c2c(=O)cc(O)cc-2oc1-c1ccc(O)cc1O	ZINC000015120654	291283889	/nfs/dbraw/zinc/28/38/89/291283889.db2.gz	GRRICQNASNJYBZ-VIZOYTHASA-N	0	2	422.477	5.518	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCC/C(C)=C/Cc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)cc1O	ZINC000015120654	291283890	/nfs/dbraw/zinc/28/38/90/291283890.db2.gz	GRRICQNASNJYBZ-VIZOYTHASA-N	0	2	422.477	5.518	10	0	biogenic,in-vitro	HKAELN
Cc1ccc(/C=C/c2nc(-c3ccc(NS(=O)(=O)c4cccs4)cc3)no2)cc1	ZINC000033122899	558879582	/nfs/dbraw/zinc/87/95/82/558879582.db2.gz	UUYMDRCGYPZIBO-MDWZMJQESA-N	0	2	423.519	5.078	10	0		HKAELN
CC(C)=CCc1cc(-c2cc(O)c3c(=O)cc(O)c(CC=C(C)C)c-3o2)ccc1O	ZINC000070454680	291287059	/nfs/dbraw/zinc/28/70/59/291287059.db2.gz	NZIDLHYOWGCCCH-UHFFFAOYSA-N	0	2	406.478	5.594	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)ccc1O	ZINC000070454680	291287063	/nfs/dbraw/zinc/28/70/63/291287063.db2.gz	NZIDLHYOWGCCCH-UHFFFAOYSA-N	0	2	406.478	5.594	10	0	biogenic,in-vitro	HKAELN
CC(C)=CCc1c(O)c(C(=O)CC(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12	ZINC000095619153	291285828	/nfs/dbraw/zinc/28/58/28/291285828.db2.gz	JIFOADIANOIMSK-UHFFFAOYSA-N	0	2	406.478	5.609	10	0	endogenous,in-man	HKAELN
COc1ccc(-c2ccccc2)c(NS(=O)(=O)c2cc(O)c(Cl)cc2Cl)c1	ZINC000098052689	559126238	/nfs/dbraw/zinc/12/62/38/559126238.db2.gz	LIZVMVYXZWADCK-UHFFFAOYSA-N	0	2	424.305	5.175	10	0	in-vitro	HKAELN
CC(C)=CCC/C(C)=C/Cc1cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)c(O)cc1O	ZINC000098083363	291284708	/nfs/dbraw/zinc/28/47/08/291284708.db2.gz	CGAAHNXTXSLXAJ-VIZOYTHASA-N	0	2	422.477	5.518	10	0	biogenic	HKAELN
CC(C)=CCC/C(C)=C/Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)c(O)cc1O	ZINC000098083363	291284709	/nfs/dbraw/zinc/28/47/09/291284709.db2.gz	CGAAHNXTXSLXAJ-VIZOYTHASA-N	0	2	422.477	5.518	10	0	biogenic	HKAELN
Cc1cccc(-c2[nH]n(-c3ccccc3)c(=O)c2-c2ccccc2NC(=O)C(C)C)c1	ZINC000103240192	560840491	/nfs/dbraw/zinc/84/04/91/560840491.db2.gz	MXGALCXIKRCLKK-UHFFFAOYSA-N	0	2	411.505	5.815	10	0		HKAELN
O=C1c2ccc(Br)c3cccc(c32)C(O)=C1c1ccc2ccccc2n1	ZINC000103560069	559156282	/nfs/dbraw/zinc/15/62/82/559156282.db2.gz	JWOBQCWNPQCVIA-HXUWFJFHSA-N	0	2	402.247	5.313	10	0		HKAELN
O=C1c2cccc3c(Br)ccc(c32)C(O)=C1c1ccc2ccccc2n1	ZINC000103560069	559156284	/nfs/dbraw/zinc/15/62/84/559156284.db2.gz	JWOBQCWNPQCVIA-HXUWFJFHSA-N	0	2	402.247	5.313	10	0		HKAELN
O=C1c2ccc(Br)c3cccc(c32)C(O)=C1c1ccc2ccccc2n1	ZINC000103560080	559156294	/nfs/dbraw/zinc/15/62/94/559156294.db2.gz	JWOBQCWNPQCVIA-FQEVSTJZSA-N	0	2	402.247	5.313	10	0		HKAELN
O=C1c2cccc3c(Br)ccc(c32)C(O)=C1c1ccc2ccccc2n1	ZINC000103560080	559156296	/nfs/dbraw/zinc/15/62/96/559156296.db2.gz	JWOBQCWNPQCVIA-FQEVSTJZSA-N	0	2	402.247	5.313	10	0		HKAELN