smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC(CC)(CC(=O)[O-])CC(=O)[O-]	ZINC000001666779	342707571	/nfs/dbraw/zinc/70/75/71/342707571.db2.gz	RJXLYYKVMAEUKZ-UHFFFAOYSA-N	-2	0	216.277	2.522	40	0		BFABRL
CCCC[C@@H](C(=O)[O-])[C@H](CCCC)C(=O)[O-]	ZINC000034406499	343270210	/nfs/dbraw/zinc/27/02/10/343270210.db2.gz	BQNDPALRJDCXOY-AOOOYVTPSA-N	-2	0	230.304	2.768	40	0		BFABRL
CP(=O)([O-])CC(=O)[O-]	ZINC000000000313	1024376063	/nfs/dbraw/zinc/37/60/63/1024376063.db2.gz	CXLOIJUDIPVKOU-SNVBAGLBSA-N	-2	0	233.233	2.612	40	0	in-man	BFABRL
CCC/C=C/C=C/[C@H](CCC(=O)[O-])CC(=O)[O-]	ZINC000225420179	398310430	/nfs/dbraw/zinc/31/04/30/398310430.db2.gz	NNKOXHKCIDFKIK-ILMMAJNQSA-N	-2	0	240.299	2.855	40	0	biogenic,in-vitro	BFABRL
CCCCCC[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000164036978	259515700	/nfs/dbraw/zinc/51/57/00/259515700.db2.gz	MZSHZQAODGHFPQ-VIFPVBQESA-N	-2	0	216.277	2.522	40	0	biogenic,in-vitro	BFABRL
S=C([S-])[N-]c1cccc(Cl)c1	ZINC000006534896	183312506	/nfs/dbraw/zinc/31/25/06/183312506.db2.gz	SISPFDRHYJKTEK-UHFFFAOYSA-N	-2	0	203.719	2.967	40	0		BFABRL
CCCCCC[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000164037097	384587619	/nfs/dbraw/zinc/58/76/19/384587619.db2.gz	MZSHZQAODGHFPQ-SECBINFHSA-N	-2	0	216.277	2.522	40	0	biogenic,in-vitro	BFABRL
CC(C)CC(CC(C)C)OP(=O)([O-])[O-]	ZINC000001676569	342708367	/nfs/dbraw/zinc/70/83/67/342708367.db2.gz	ZTZKGWZFTOOGKT-UHFFFAOYSA-N	-2	0	224.237	2.557	40	0		BFABRL
O=C([O-])c1cc(F)c(Cl)c([O-])c1Cl	ZINC000021984671	182555300	/nfs/dbraw/zinc/55/53/00/182555300.db2.gz	OEVPXZDUHKJUSX-UHFFFAOYSA-N	-2	0	225.002	2.536	40	0		BFABRL
Cc1ccc(-c2ccc(C(=O)[O-])o2)cc1C(=O)[O-]	ZINC000016311837	178323316	/nfs/dbraw/zinc/32/33/16/178323316.db2.gz	KOKVVVXHFPIHAF-UHFFFAOYSA-N	-2	0	246.218	2.651	40	0		BFABRL
CCCCCC(C)(CC(=O)[O-])CC(=O)[O-]	ZINC000001666513	342707466	/nfs/dbraw/zinc/70/74/66/342707466.db2.gz	OYJMUTGFVWKBID-UHFFFAOYSA-N	-2	0	216.277	2.522	40	0		BFABRL
CCCC[C@H](C(=O)[O-])[C@H](CCCC)C(=O)[O-]	ZINC000034406500	343270214	/nfs/dbraw/zinc/27/02/14/343270214.db2.gz	BQNDPALRJDCXOY-UWVGGRQHSA-N	-2	0	230.304	2.768	40	0		BFABRL
O=[P@@]([O-])(O)C1c2ccccc2-c2ccccc21	ZINC000001682479	386570079	/nfs/dbraw/zinc/57/00/79/386570079.db2.gz	IZTWMJRGKYHMCJ-UHFFFAOYSA-N	-2	0	246.202	2.934	40	0		BFABRL
CCCCC(CCCC)(C(=O)[O-])C(=O)[O-]	ZINC000002573722	342725026	/nfs/dbraw/zinc/72/50/26/342725026.db2.gz	WUHHVDQBQZVSJV-UHFFFAOYSA-N	-2	0	216.277	2.522	40	0		BFABRL
CCCC[C@@H](C(=O)[O-])[C@@H](CCCC)C(=O)[O-]	ZINC000002578787	342725431	/nfs/dbraw/zinc/72/54/31/342725431.db2.gz	BQNDPALRJDCXOY-NXEZZACHSA-N	-2	0	230.304	2.768	40	0		BFABRL
CC1(C)CCC(CC(=O)[O-])(CC(=O)[O-])CC1	ZINC000001610555	188274261	/nfs/dbraw/zinc/27/42/61/188274261.db2.gz	AYBICQCXGRPBLK-UHFFFAOYSA-N	-2	0	228.288	2.522	40	0		BFABRL
O=C([O-])/C=C/c1c(O)cc(Cl)cc1Cl	ZINC000002524647	386292865	/nfs/dbraw/zinc/29/28/65/386292865.db2.gz	GEKIQWLNPLMVOP-OWOJBTEDSA-N	-2	0	233.050	2.797	40	0		BFABRL
O=C([O-])/C=C\CCCCCCCCC(=O)[O-]	ZINC000031702886	487508062	/nfs/dbraw/zinc/50/80/62/487508062.db2.gz	MAZWDMBCPDUFDJ-CLFYSBASSA-N	-2	0	228.288	2.833	40	0	biogenic	BFABRL
O=C([O-])c1ccc2c(c1)-c1ccc(C(=O)[O-])cc1-2	ZINC000002579274	342725605	/nfs/dbraw/zinc/72/56/05/342725605.db2.gz	CYISDYQPECMUKK-UHFFFAOYSA-N	-2	0	240.214	2.730	40	0		BFABRL
O=C([O-])C1(C(=O)[O-])CCC2(CCCCC2)CC1	ZINC000031729329	385100931	/nfs/dbraw/zinc/10/09/31/385100931.db2.gz	KLTKZNIAIUVCON-UHFFFAOYSA-N	-2	0	240.299	2.667	40	0		BFABRL
CCC/C=C/C=C/[C@@H](CCC(=O)[O-])CC(=O)[O-]	ZINC000225420218	398310462	/nfs/dbraw/zinc/31/04/62/398310462.db2.gz	NNKOXHKCIDFKIK-YMMJRAIESA-N	-2	0	240.299	2.855	40	0	biogenic,in-vitro	BFABRL
Cc1c(C(=O)[O-])cccc1-c1ccc(C(=O)[O-])o1	ZINC000016249942	347166758	/nfs/dbraw/zinc/16/67/58/347166758.db2.gz	SNWLSSJIYPAMIS-UHFFFAOYSA-N	-2	0	246.218	2.651	40	0		BFABRL
O=C([O-])/C=C/c1ccc2ccccc2c1O	ZINC000002504912	386294564	/nfs/dbraw/zinc/29/45/64/386294564.db2.gz	XWLBEPORTYLVSD-BQYQJAHWSA-N	-2	0	214.220	2.643	40	0		BFABRL
O=C([O-])c1cc(Cl)cc(Cl)c1[S-]	ZINC000001662480	342707187	/nfs/dbraw/zinc/70/71/87/342707187.db2.gz	NTWYUZIIPPHVBQ-UHFFFAOYSA-N	-2	0	223.080	2.980	40	0		BFABRL
S=C([S-])[N-]c1ccc(Cl)cc1	ZINC000005841343	183312391	/nfs/dbraw/zinc/31/23/91/183312391.db2.gz	LVWPRQISBKYNTI-UHFFFAOYSA-N	-2	0	203.719	2.967	40	0		BFABRL
O=C([O-])/C=C/CCCCCCCCC(=O)[O-]	ZINC000001586420	383910344	/nfs/dbraw/zinc/91/03/44/383910344.db2.gz	MAZWDMBCPDUFDJ-VQHVLOKHSA-N	-2	0	228.288	2.833	40	0	endogenous,in-man	BFABRL
O=C([O-])/C=C/c1cc(Cl)c([O-])c(Cl)c1	ZINC000033847518	388649904	/nfs/dbraw/zinc/64/99/04/388649904.db2.gz	YCWRKUFHHMQSOU-OWOJBTEDSA-N	-2	0	233.050	2.797	40	0		BFABRL