smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@H](O)Cc1c([O-])c2c(C=O)c(-c3ccc(O)cc3[O-])oc2cc1OC	ZINC000045286515	206195284	/nfs/dbraw/zinc/19/52/84/206195284.db2.gz	LFBBNFBRFZEDJG-OAHLLOKOSA-N	-2	3	384.384	3.517	1	30		GHEFHL
C=C(C)[C@@H](O)Cc1c([O-])c2c(C=O)c(-c3ccc(O)cc3[O-])oc2cc1OC	ZINC000045286517	206195270	/nfs/dbraw/zinc/19/52/70/206195270.db2.gz	LFBBNFBRFZEDJG-HNNXBMFYSA-N	-2	3	384.384	3.517	1	30		GHEFHL
Cc1c(-c2ccc3c(c2[O-])C(=O)C=C(C)C3=O)cc([O-])c2c1C(=O)CCC2=O	ZINC000049113967	205127574	/nfs/dbraw/zinc/12/75/74/205127574.db2.gz	BILDVPLFDVMZBG-UHFFFAOYSA-N	-2	3	376.364	3.558	1	30		GHEFHL
N#Cc1c(N)nc(Sc2ccc([O-])cc2)c(C#N)c1-c1ccc([O-])c(F)c1	ZINC000028567136	207343995	/nfs/dbraw/zinc/34/39/95/207343995.db2.gz	NYQDNOOINWNDBF-UHFFFAOYSA-N	-2	3	378.388	3.776	1	30		GHEFHL
C=C(C)[C@H]1Cc2c(oc3cc([O-])cc([O-])c3c2=O)-c2c(O)cc(OC)c(O)c21	ZINC000013480176	291129826	/nfs/dbraw/zinc/12/98/26/291129826.db2.gz	PACGEOWZLGJTSP-SNVBAGLBSA-N	-2	3	382.368	3.507	1	30	biogenic,in-vitro	GHEFHL
C=C(C)[C@H]1Cc2c([O-])c3c(=O)cc(OC)cc-3oc2-c2c([O-])cc(OC)c(O)c21	ZINC000013480178	291129806	/nfs/dbraw/zinc/12/98/06/291129806.db2.gz	QTSYIEYGKIGDKF-LLVKDONJSA-N	-2	3	396.395	3.810	1	30	biogenic,in-vitro	GHEFHL
N#Cc1ccccc1COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12	ZINC000072176213	211082001	/nfs/dbraw/zinc/08/20/01/211082001.db2.gz	GOQXHUOVRALQJI-UHFFFAOYSA-N	-2	3	375.336	3.514	1	30		GHEFHL
N#Cc1cc(Cl)c(Cl)cc1COc1cccc(C([O-])=CC(=O)C(=O)[O-])c1	ZINC000101059022	211394633	/nfs/dbraw/zinc/39/46/33/211394633.db2.gz	LXOUTLOJCVSJHE-APSNUPSMSA-N	-2	3	392.194	3.997	1	30		GHEFHL
CC1=C(C=C2C(=O)c3c([O-])cccc3C(=O)C2C)C(=O)c2c([O-])cccc2C1=O	ZINC000086050572	291131568	/nfs/dbraw/zinc/13/15/68/291131568.db2.gz	XICSGZYDUFXNEH-UHFFFAOYSA-N	-2	3	388.375	3.579	1	30	biogenic,in-vitro	GHEFHL
C=C(C)[C@H](O)Cc1c([O-])c(C(=O)[C@H](C)CC)c([O-])c2c(CCC)cc(=O)oc12	ZINC000014586027	291129840	/nfs/dbraw/zinc/12/98/40/291129840.db2.gz	LMOOLBWPPNMVJY-IUODEOHRSA-N	-2	3	388.460	3.865	1	30	biogenic,in-vitro	GHEFHL
CCCCCCCCCS(=O)(=O)Nc1ccccc1CP(=O)([O-])[O-]	ZINC000049878506	222002518	/nfs/dbraw/zinc/00/25/18/222002518.db2.gz	WZOKYUNRNUSPPJ-UHFFFAOYSA-N	-2	3	377.443	3.857	1	30		GHEFHL
COc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)/C(=N/[O-])c2ccccc2-3)c1	ZINC000063539220	222067661	/nfs/dbraw/zinc/06/76/61/222067661.db2.gz	BNFUMIPEQQICKC-QZQOTICOSA-N	-2	3	380.425	3.703	1	30		GHEFHL
CCCCCCCCCS(=O)(=O)Nc1cccc(CP(=O)([O-])[O-])c1	ZINC000049878604	222002389	/nfs/dbraw/zinc/00/23/89/222002389.db2.gz	VJQDYPNXUZQPPR-UHFFFAOYSA-N	-2	3	377.443	3.857	1	30		GHEFHL
N#Cc1cccc(COc2cc([O-])cc3oc4cc([O-])c(O)cc4c(=O)c23)c1	ZINC000072170659	222217368	/nfs/dbraw/zinc/21/73/68/222217368.db2.gz	RAILXVNSQWOILX-UHFFFAOYSA-N	-2	3	375.336	3.514	1	30		GHEFHL
O=C([O-])c1cc(Br)cc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1[O-]	ZINC000066065966	222136453	/nfs/dbraw/zinc/13/64/53/222136453.db2.gz	QEAMPCGWOPDNKU-SNAWJCMRSA-N	-2	3	392.161	3.657	1	30		GHEFHL