smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2c(c([C@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c([O-])c1C)CCC2=O	ZINC000001551133	206385788	/nfs/dbraw/zinc/38/57/88/206385788.db2.gz	MIMHBCCQTTWMBE-GOSISDBHSA-N	-2	3	398.474	5.444	1	0		GKAFHL
COc1c(CC=C(C)C)c([O-])c(C(=O)c2ccccc2)c([O-])c1CC=C(C)C	ZINC000014780692	560226219	/nfs/dbraw/zinc/22/62/19/560226219.db2.gz	CFNHWEOECGZHRS-UHFFFAOYSA-N	-2	3	380.484	5.355	1	0	biogenic,in-vitro	GKAFHL
COc1c2c(c(CC=C(C)C)c([O-])c1C(=O)c1ccc([O-])cc1)OC(C)(C)C=C2	ZINC000005854373	209231834	/nfs/dbraw/zinc/23/18/34/209231834.db2.gz	DFBSAOVRYPVDJO-UHFFFAOYSA-N	-2	3	394.467	5.030	1	0		GKAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[P@@](=O)([O-])CP(=O)([O-])[O-]	ZINC000001537313	212248670	/nfs/dbraw/zinc/24/86/70/212248670.db2.gz	OPTQBHLRSXBIHD-JTCWOHKRSA-N	-3	3	378.386	5.201	1	0	in-vivo	GKAFHL
CC(C)=CCC/C(C)=C/CCCCCCC[C@@H](P(=O)([O-])[O-])[P@](C)(=O)[O-]	ZINC000013742073	221286776	/nfs/dbraw/zinc/28/67/76/221286776.db2.gz	IJSHDRSBRXSFIG-VJSYINPZSA-N	-3	3	394.429	5.814	1	0		GKAFHL
O=c1c(OCc2ccccc2Cl)c(-c2ccccc2)oc2cc([O-])cc([O-])c12	ZINC000064512553	222072722	/nfs/dbraw/zinc/07/27/22/222072722.db2.gz	QCLFHWZABLRYED-UHFFFAOYSA-N	-2	3	394.810	5.104	1	0		GKAFHL
CC(C)=CCCC(C)=Cc1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc12	ZINC000072179433	211081681	/nfs/dbraw/zinc/08/16/81/211081681.db2.gz	FBCQWGIDVQZCAN-FOWTUZBSSA-N	-2	3	376.452	6.021	1	0		GKAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](P(=O)([O-])[O-])[P@](C)(=O)[O-]	ZINC000013742040	210088947	/nfs/dbraw/zinc/08/89/47/210088947.db2.gz	WXLQYCKKYNNCCQ-IYVBATGJSA-N	-3	3	378.386	5.200	1	0		GKAFHL
Cc1c(C)c(C=O)c(C)c([C@H](CCCCCC(=O)[O-])c2ccc(F)cc2)c1[O-]	ZINC000001551129	209332858	/nfs/dbraw/zinc/33/28/58/209332858.db2.gz	ONLZZJQCIFFEMP-LJQANCHMSA-N	-2	3	386.463	5.436	1	0		GKAFHL
CC(C)=CCCC(C)=Cc1c([O-])cc2oc(-c3ccccc3)cc(=O)c2c1[O-]	ZINC000072179432	205317521	/nfs/dbraw/zinc/31/75/21/205317521.db2.gz	AEVYUYBCKNILQM-FOWTUZBSSA-N	-2	3	376.452	6.021	1	0		GKAFHL
CCCc1cc(Cl)c2oc(Cc3ccc(OCC(=O)[O-])cc3)c(C)c2c1[O-]	ZINC000028219416	207335775	/nfs/dbraw/zinc/33/57/75/207335775.db2.gz	HTSFWUUXXROXSN-UHFFFAOYSA-N	-2	3	388.847	5.107	1	0		GKAFHL
[O-]c1cc([O-])c(-c2n[nH]cc2-c2ccc(-c3ccc(F)cc3)cc2)cc1Cl	ZINC000028462997	207342007	/nfs/dbraw/zinc/34/20/07/207342007.db2.gz	VVWDLGJMLGXNMN-UHFFFAOYSA-N	-2	3	380.806	5.614	1	0		GKAFHL
O=C([O-])Cc1cc(Cl)c(Oc2ccc([O-])c(-c3nccs3)c2)c(Cl)c1	ZINC000014969274	207035832	/nfs/dbraw/zinc/03/58/32/207035832.db2.gz	AGCPOGPDHHGRRI-UHFFFAOYSA-N	-2	3	396.251	5.242	1	0		GKAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/[P@](=O)([O-])CP(=O)([O-])[O-]	ZINC000029551585	207365098	/nfs/dbraw/zinc/36/50/98/207365098.db2.gz	IZSUFXYWDUWORE-LFDLETANSA-N	-3	3	376.370	5.325	1	0		GKAFHL
CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](P(=O)([O-])[O-])[P@](C)(=O)[O-]	ZINC000013742041	221286790	/nfs/dbraw/zinc/28/67/90/221286790.db2.gz	WXLQYCKKYNNCCQ-DONOPRKNSA-N	-3	3	378.386	5.200	1	0		GKAFHL
CCCC(=O)c1c([O-])c(CC=C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1[O-]	ZINC000013334637	209191898	/nfs/dbraw/zinc/19/18/98/209191898.db2.gz	NWWAVRDKPXDXSM-UHFFFAOYSA-N	-2	3	392.451	5.363	1	0		GKAFHL
CC(C)=CCC/C(C)=C/CCCCCC[C@@H](P(=O)([O-])[O-])[P@](C)(=O)[O-]	ZINC000013742069	221286441	/nfs/dbraw/zinc/28/64/41/221286441.db2.gz	DPDLUUWFVYYYOE-NWNNTGRJSA-N	-3	3	380.402	5.424	1	0		GKAFHL
CC(C)=CCc1c([O-])c(C(=O)C(C)C)c2oc(=O)cc(-c3ccccc3)c2c1[O-]	ZINC000014586014	560222544	/nfs/dbraw/zinc/22/25/44/560222544.db2.gz	HFESPLMGUIFVMR-UHFFFAOYSA-N	-2	3	392.451	5.219	1	0	biogenic,in-vitro	GKAFHL
[O-]c1c(Cl)c(Cl)c([O-])c(CCNc2ccc3ncccc3c2)c1Cl	ZINC000005933818	204156873	/nfs/dbraw/zinc/15/68/73/204156873.db2.gz	OZTKLPASWCWPSH-UHFFFAOYSA-N	-2	3	383.662	5.261	1	0		GKAFHL
O=C([O-])Cc1cc(Cl)c(Oc2ccc([O-])c(-c3ccccn3)c2)c(Cl)c1	ZINC000014969261	221321338	/nfs/dbraw/zinc/32/13/38/221321338.db2.gz	LZXPUGQXWRWMGH-UHFFFAOYSA-N	-2	3	390.222	5.180	1	0		GKAFHL
Cc1c2c(c([C@@H](CCCCCC(=O)[O-])c3ccc(F)cc3)c([O-])c1C)CCC2=O	ZINC000013456430	210061228	/nfs/dbraw/zinc/06/12/28/210061228.db2.gz	MIMHBCCQTTWMBE-SFHVURJKSA-N	-2	3	398.474	5.444	1	0		GKAFHL
Cc1c(-c2ccc(-c3ccc([O-])cc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-]	ZINC000029335955	207360879	/nfs/dbraw/zinc/36/08/79/207360879.db2.gz	UXRZTEBSXVAUCK-UHFFFAOYSA-N	-2	3	391.373	5.559	1	0		GKAFHL