smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)C(Nc2ccccc2)=C1O	ZINC000096914468	185129232	/nfs/dbraw/zinc/12/92/32/185129232.db2.gz	BFDCIZJVEBXKKA-UHFFFAOYSA-N	0	2	265.268	2.947	1	30		CFEFLN
CC(C)=CCC1=C(O)C(O)C(=C(O)CCC(C)C)C1=O	ZINC000100772838	571816960	/nfs/dbraw/zinc/81/69/60/571816960.db2.gz	NFUYEMRFZRYITM-NHYWBVRUSA-N	0	2	280.364	2.720	1	30	endogenous,in-man	CFEFLN
C=CCSc1nc(=O)c(CC)c(O)n1[C@@H](C)CC	ZINC000100560275	185720442	/nfs/dbraw/zinc/72/04/42/185720442.db2.gz	SQYPMYMVOLHRPV-VIFPVBQESA-N	0	2	268.382	2.760	3	30		CFEFLN
COc1ccc2c(c1)C(=O)C(N=Nc1ccccc1)C(=O)N2	ZINC000096910592	185129561	/nfs/dbraw/zinc/12/95/61/185129561.db2.gz	ZBEAPLZIKLJXKY-RGEXLXHISA-N	0	2	295.298	2.948	1	30		CFEFLN
COC(=O)C1=C(O)C=C(Nc2ccccc2F)C[C@H]1C	ZINC000040875281	174427456	/nfs/dbraw/zinc/42/74/56/174427456.db2.gz	WRKJKIRWSKDRAH-YMTOWFKASA-N	0	2	277.295	2.520	1	30		CFEFLN
O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1O	ZINC000005846518	170146745	/nfs/dbraw/zinc/14/67/45/170146745.db2.gz	SALSDRIUUMVHAX-FNORWQNLSA-N	0	2	259.217	2.790	1	30		CFEFLN
CC(C)=CCC1=C(O)C(O)C(=C(O)CCC(C)C)C1=O	ZINC000014679004	571718091	/nfs/dbraw/zinc/71/80/91/571718091.db2.gz	NFUYEMRFZRYITM-IAQYHMDHSA-N	0	2	280.364	2.720	1	30	endogenous,in-man	CFEFLN
CCOC(=O)C=CC(C)=C[C@@]1(C)SC(O)=C(C)C1=O	ZINC000053166147	520400368	/nfs/dbraw/zinc/40/03/68/520400368.db2.gz	HLWBSRYOYLPQMR-PAMVGZKNSA-N	0	2	282.361	2.916	1	30		CFEFLN
CC(C)=CCC1C(=O)C(=O)c2c(O)ccc(O)c2C1=O	ZINC000014819536	560098944	/nfs/dbraw/zinc/09/89/44/560098944.db2.gz	KNOSIOWNDGUGFJ-UHFFFAOYSA-N	0	2	274.272	2.645	1	30	endogenous,in-man	CFEFLN
COc1ccc2c(c1)/C(=N\O)c1c-2c(=O)[nH]c2ccccc12	ZINC000071331424	176124865	/nfs/dbraw/zinc/12/48/65/176124865.db2.gz	KYTFMKJFHHKWNV-KNTRCKAVSA-N	0	2	292.294	2.744	1	30		CFEFLN
CC(C)=CCC1C(=O)C(=O)c2cccc(O)c2C1=O	ZINC000015115150	560228491	/nfs/dbraw/zinc/22/84/91/560228491.db2.gz	XOFJIZXNAOYRAW-UHFFFAOYSA-N	0	2	258.273	2.940	1	30	biogenic,in-vitro	CFEFLN
Cn1ccccc1=NN=Cc1cc(Cl)cc(Cl)c1O	ZINC000013556308	170561946	/nfs/dbraw/zinc/56/19/46/170561946.db2.gz	KCVJJBHUACWBQR-UHFFFAOYSA-O	0	2	297.165	2.970	1	30		CFEFLN
COc1cc(O)c(C=O)cc1C(=O)/C=C/c1ccc(O)cc1	ZINC000014612778	560223028	/nfs/dbraw/zinc/22/30/28/560223028.db2.gz	BEHXEFBQMCUZNX-QPJJXVBHSA-N	0	2	298.294	2.815	1	30	biogenic,in-vitro	CFEFLN
CC(C)=CCC1=C(O)C(O)C(=C(O)CCC(C)C)C1=O	ZINC000014679001	571718178	/nfs/dbraw/zinc/71/81/78/571718178.db2.gz	NFUYEMRFZRYITM-XHDPSFHLSA-N	0	2	280.364	2.720	1	30	endogenous,in-man	CFEFLN
O/N=C/c1onc2c1CCO[C@@H]2c1ccccc1Cl	ZINC000103187060	185815335	/nfs/dbraw/zinc/81/53/35/185815335.db2.gz	SFMYRLCLNDVNJG-BKNIFWKGSA-N	0	2	278.695	2.798	1	30		CFEFLN
CC(C)=CCC1=C(O)C(O)C(=C(O)CCC(C)C)C1=O	ZINC000100772840	571816901	/nfs/dbraw/zinc/81/69/01/571816901.db2.gz	NFUYEMRFZRYITM-ABAIWWIYSA-N	0	2	280.364	2.720	1	30	endogenous,in-man	CFEFLN
COc1ccc(NC2=C(O)C(=O)c3ccccc3C2=O)cc1	ZINC000096914469	185129372	/nfs/dbraw/zinc/12/93/72/185129372.db2.gz	DMYHGSSGVCLQQT-UHFFFAOYSA-N	0	2	295.294	2.956	1	30		CFEFLN
COc1ccc(OC2=CC(=O)/C(=N\O)c3ccccc32)cc1	ZINC000096928752	185132279	/nfs/dbraw/zinc/13/22/79/185132279.db2.gz	PNVJTVHCIGRRST-ZCXUNETKSA-N	0	2	295.294	2.876	1	30		CFEFLN
COc1ccc(C=Cc2n[nH]c(=O)c(C#N)c2C)cc1	ZINC000006652483	170222474	/nfs/dbraw/zinc/22/24/74/170222474.db2.gz	FCPRFTOAEGXYPE-VMPITWQZSA-N	0	2	267.288	2.541	3	30		CFEFLN