smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(=O)c([O-])c(C(C)=O)o1	33832438	560088332	/nfs/dbraw/zinc/08/83/32/560088332.db2.gz	LIVNCPMCQTZXRZ-UHFFFAOYSA-N	-1	1	196.158	0.751	1	0	biogenic,in-vitro	ACAFMM
O=C([O-])[C@H]1Cc2cc(O)c(O)cc2N1	100770545	571813035	/nfs/dbraw/zinc/81/30/35/571813035.db2.gz	YHAPBGUGQAHLME-ZCFIWIBFSA-N	-1	1	194.166	0.957	1	0	endogenous,in-man	ACAFMM
CC(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	69488599	574416442	/nfs/dbraw/zinc/41/64/42/574416442.db2.gz	XDRNOONALRPQTA-UHFFFAOYSA-N	-1	1	197.194	0.373	1	0	endogenous,in-vitro	ACAFMM
CC(C)(C)OC(=O)C[P@](=O)([O-])O	1849690	166368017	/nfs/dbraw/zinc/36/80/17/166368017.db2.gz	KKAWRARRTNILEQ-UHFFFAOYSA-N	-1	1	196.139	0.506	1	0		ACAFMM
CCCc1cc(-c2nnn[n-]2)n[nH]1	28824287	167101403	/nfs/dbraw/zinc/10/14/03/167101403.db2.gz	FQGVBFKPIPPKKG-UHFFFAOYSA-N	-1	1	178.199	0.542	1	0		ACAFMM
CCCc1cc(-c2nn[n-]n2)n[nH]1	28824287	167101406	/nfs/dbraw/zinc/10/14/06/167101406.db2.gz	FQGVBFKPIPPKKG-UHFFFAOYSA-N	-1	1	178.199	0.542	1	0		ACAFMM
COC(=O)[C@@H](CC(C)C)N([O-])C=O	27106863	168108086	/nfs/dbraw/zinc/10/80/86/168108086.db2.gz	FTEHHZHMJXVSIF-SSDOTTSWSA-N	-1	1	189.211	0.422	1	0		ACAFMM
COC(=O)c1cnc(-c2ncc[nH]2)[n-]1	26981191	168126747	/nfs/dbraw/zinc/12/67/47/168126747.db2.gz	PHOLACRZKNNFDU-UHFFFAOYSA-N	-1	1	192.178	0.586	1	0		ACAFMM
COC(=O)c1c[n-]c(-c2ncc[nH]2)n1	26981191	168126748	/nfs/dbraw/zinc/12/67/48/168126748.db2.gz	PHOLACRZKNNFDU-UHFFFAOYSA-N	-1	1	192.178	0.586	1	0		ACAFMM
Cc1nonc1-c1n[nH]c(=S)[n-]1	40979210	169004573	/nfs/dbraw/zinc/00/45/73/169004573.db2.gz	ZVPLCLVGRZSNMJ-UHFFFAOYSA-N	-1	1	183.196	0.452	1	0		ACAFMM
Cc1nonc1-c1n[n-]c(=S)[nH]1	40979210	169004574	/nfs/dbraw/zinc/00/45/74/169004574.db2.gz	ZVPLCLVGRZSNMJ-UHFFFAOYSA-N	-1	1	183.196	0.452	1	0		ACAFMM
O=C(CC(=O)C(=O)[O-])Cc1ccco1	40918111	169317668	/nfs/dbraw/zinc/31/76/68/169317668.db2.gz	HGYDCJNEHNITQX-UHFFFAOYSA-N	-1	1	196.158	0.435	1	0		ACAFMM
O=C([O-])[C@@H](Cc1ccccc1)[C@H]1CN1	26750045	169345876	/nfs/dbraw/zinc/34/58/76/169345876.db2.gz	DYSKIYNLUZTAPM-VHSXEESVSA-N	-1	1	191.230	0.902	1	0		ACAFMM
O=C([O-])[C@@H](Cc1ccccc1)[C@@H]1CN1	26746339	169346389	/nfs/dbraw/zinc/34/63/89/169346389.db2.gz	DYSKIYNLUZTAPM-UWVGGRQHSA-N	-1	1	191.230	0.902	1	0		ACAFMM
O=C([O-])[C@H](Cc1ccccc1)[C@H]1CN1	26750040	169350863	/nfs/dbraw/zinc/35/08/63/169350863.db2.gz	DYSKIYNLUZTAPM-NXEZZACHSA-N	-1	1	191.230	0.902	1	0		ACAFMM
O=C([O-])[C@H](Cc1ccccc1)[C@@H]1CN1	26746334	169351113	/nfs/dbraw/zinc/35/11/13/169351113.db2.gz	DYSKIYNLUZTAPM-ZJUUUORDSA-N	-1	1	191.230	0.902	1	0		ACAFMM
O=C1NCC=Nc2c([O-])cccc21	27309183	169384848	/nfs/dbraw/zinc/38/48/48/169384848.db2.gz	MDXRRBUOHMUYCA-UHFFFAOYSA-N	-1	1	176.175	0.838	1	0		ACAFMM
O=[P@]1([O-])NCCCO1	26568788	171045277	/nfs/dbraw/zinc/04/52/77/171045277.db2.gz	IQSXDSBYSIVQTF-UHFFFAOYSA-N	-1	1	137.075	0.097	1	0		ACAFMM
C=Cc1[nH]c(=O)[n-]c(=O)c1Cl	27526105	171046555	/nfs/dbraw/zinc/04/65/55/171046555.db2.gz	KMARWSSNTYJKFA-UHFFFAOYSA-N	-1	1	172.571	0.360	1	0		ACAFMM
CCCCc1cc(-c2nnn[n-]2)n[nH]1	28824290	171047580	/nfs/dbraw/zinc/04/75/80/171047580.db2.gz	QNAMAHPSRMVTQM-UHFFFAOYSA-N	-1	1	192.226	0.932	1	0		ACAFMM
CCCCc1cc(-c2nn[n-]n2)n[nH]1	28824290	171047582	/nfs/dbraw/zinc/04/75/82/171047582.db2.gz	QNAMAHPSRMVTQM-UHFFFAOYSA-N	-1	1	192.226	0.932	1	0		ACAFMM
Fc1c(-c2nn[n-]n2)n[nH]c1C1CC1	28824293	171047674	/nfs/dbraw/zinc/04/76/74/171047674.db2.gz	IALMENDAOFEPFH-UHFFFAOYSA-N	-1	1	194.173	0.606	1	0		ACAFMM
c1c(-c2nnn[n-]2)n[nH]c1C1CC1	28824289	171047883	/nfs/dbraw/zinc/04/78/83/171047883.db2.gz	YVHLABWFQBTHDO-UHFFFAOYSA-N	-1	1	176.183	0.467	1	0		ACAFMM
c1c(-c2nn[n-]n2)n[nH]c1C1CC1	28824289	171047885	/nfs/dbraw/zinc/04/78/85/171047885.db2.gz	YVHLABWFQBTHDO-UHFFFAOYSA-N	-1	1	176.183	0.467	1	0		ACAFMM