smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)cc1OC	ZINC000033526523	202267054	/nfs/dbraw/zinc/26/70/54/202267054.db2.gz	DZDLDSPWBJEZJZ-FLIBITNWSA-N	0	2	342.313	4.215	3	30		EIEFLN
CC1=C(O)[C@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)SC1=O	ZINC000101146085	204002771	/nfs/dbraw/zinc/00/27/71/204002771.db2.gz	UFODZZQNTKUHLF-FQEVSTJZSA-N	0	2	338.428	4.324	1	30		EIEFLN
O=C1C(C=Nc2ccc(Cl)cc2)C=NN1c1cccc(Cl)n1	ZINC000101474475	204008242	/nfs/dbraw/zinc/00/82/42/204008242.db2.gz	NYQWAIXBCOZOLQ-QGMBQPNBSA-N	0	2	333.178	4.030	1	30		EIEFLN
O=C(C=Cc1ccc(N2CCCC2)cc1)C1=C(O)c2ccccc2CC1	ZINC000169353209	206554284	/nfs/dbraw/zinc/55/42/84/206554284.db2.gz	VOHSVUDQDVZBAO-ZGQNHIEXSA-N	0	2	345.442	4.314	1	30		EIEFLN
O=C1c2nc(-c3ccccc3)[nH]c2C(=O)C(Cl)=C1Nc1ccccc1	ZINC000029049032	202180201	/nfs/dbraw/zinc/18/02/01/202180201.db2.gz	YSZUEWDDUIXQRS-UHFFFAOYSA-N	0	2	349.777	4.018	1	30		EIEFLN
O=C1c2nc(-c3ccccc3)[nH]c2C(=O)C(Nc2ccccc2)=C1Cl	ZINC000029049032	202180204	/nfs/dbraw/zinc/18/02/04/202180204.db2.gz	YSZUEWDDUIXQRS-UHFFFAOYSA-N	0	2	349.777	4.018	1	30		EIEFLN
O=S(=O)(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[C@H](S)C1	ZINC000029468224	581099777	/nfs/dbraw/zinc/09/97/77/581099777.db2.gz	XOVSRAFNJNQNRK-FUHWJXTLSA-N	0	2	348.489	4.494	1	30	in-vivo	EIEFLN
CC1=C(O)[C@@](C)(Cc2cccc(C(=O)c3ccccc3)c2)SC1=O	ZINC000102090850	219185627	/nfs/dbraw/zinc/18/56/27/219185627.db2.gz	BXFRDXDUKVMADT-HXUWFJFHSA-N	0	2	338.428	4.324	1	30		EIEFLN
C=CC(C)(C)c1c(O)cc(=O)c2c(O)c(-c3ccc(O)cc3)coc1-2	ZINC000015121041	291004895	/nfs/dbraw/zinc/00/48/95/291004895.db2.gz	PONIGBFVAFAGSR-UHFFFAOYSA-N	0	2	338.359	4.040	1	30	biogenic,in-vitro	EIEFLN
C=CC(C)(C)c1c2occ(-c3ccc(O)cc3)c(O)c-2c(O)cc1=O	ZINC000015121041	291004898	/nfs/dbraw/zinc/00/48/98/291004898.db2.gz	PONIGBFVAFAGSR-UHFFFAOYSA-N	0	2	338.359	4.040	1	30	biogenic,in-vitro	EIEFLN
CCOc1cc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)ccc1O	ZINC000037867970	213171807	/nfs/dbraw/zinc/17/18/07/213171807.db2.gz	APFFWYUUHAUDLW-DHZHZOJOSA-N	0	2	342.313	4.302	3	30		EIEFLN
CC1=NN(c2ccccc2)C(=O)C1C=Nc1cccc2cccnc21	ZINC000101883148	219169710	/nfs/dbraw/zinc/16/97/10/219169710.db2.gz	MUQYCMMELRHRHE-LPYMAVHISA-N	0	2	328.375	4.185	1	30		EIEFLN
C=CC(C)(C)c1c(O)cc(=O)c2c(O)cc(-c3ccc(O)cc3)oc1-2	ZINC000072179138	216066626	/nfs/dbraw/zinc/06/66/26/216066626.db2.gz	VICNEMYTLCWXQS-UHFFFAOYSA-N	0	2	338.359	4.040	1	30		EIEFLN
C=CC(C)(C)c1c2oc(-c3ccc(O)cc3)cc(O)c-2c(O)cc1=O	ZINC000072179138	216066627	/nfs/dbraw/zinc/06/66/27/216066627.db2.gz	VICNEMYTLCWXQS-UHFFFAOYSA-N	0	2	338.359	4.040	1	30		EIEFLN
CC1=C(O)[C@@](C)(Cc2ccc(C(=O)c3ccccc3)cc2)SC1=O	ZINC000101146081	219117707	/nfs/dbraw/zinc/11/77/07/219117707.db2.gz	UFODZZQNTKUHLF-HXUWFJFHSA-N	0	2	338.428	4.324	1	30		EIEFLN
C=CCc1cc(-c2ccc(OC)c(CC=C)c2)c(O)c([N+](=O)[O-])c1	ZINC000072112598	216011069	/nfs/dbraw/zinc/01/10/69/216011069.db2.gz	JVQDQHUSQDBSFN-UHFFFAOYSA-N	0	2	325.364	4.433	1	30		EIEFLN