smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc([P@](=O)([O-])O)cc1	ZINC000001591867	342704877	/nfs/dbraw/zinc/70/48/77/342704877.db2.gz	KYCZQSQYGCJAPN-UHFFFAOYSA-N	-1	2	237.173	-0.863	40	0		BBABLM
NS(=O)(=O)c1ccc([P@@](=O)([O-])O)cc1	ZINC000001591867	342704875	/nfs/dbraw/zinc/70/48/75/342704875.db2.gz	KYCZQSQYGCJAPN-UHFFFAOYSA-N	-1	2	237.173	-0.863	40	0		BBABLM
O=S(=O)([O-])c1nc2c[nH]cnc-2n1	ZINC000001665499	342707570	/nfs/dbraw/zinc/70/75/70/342707570.db2.gz	NLVZKGZSGTYQCC-UHFFFAOYSA-N	-1	2	200.179	-0.400	40	0		BBABLM
[NH3+][C@H](C(=O)[O-])c1ccc([P@](=O)([O-])O)cc1	ZINC000001997134	342714257	/nfs/dbraw/zinc/71/42/57/342714257.db2.gz	JRQRKFDFHAPMGQ-ZETCQYMHSA-N	-1	2	231.144	-0.426	40	0	in-vivo	BBABLM
Cc1cccc(-n2nc(C(=O)[O-])c(=O)[nH]c2=O)c1	ZINC000002024452	179000972	/nfs/dbraw/zinc/00/09/72/179000972.db2.gz	AODRWDUVCNFLGE-UHFFFAOYSA-N	-1	2	247.210	-0.073	40	0		BBABLM
[NH3+][C@@H](C(=O)[O-])c1ccc([P@](=O)([O-])O)cc1	ZINC000003995880	342740280	/nfs/dbraw/zinc/74/02/80/342740280.db2.gz	JRQRKFDFHAPMGQ-SSDOTTSWSA-N	-1	2	231.144	-0.426	40	0	in-vivo	BBABLM
[NH3+][C@@H](C(=O)[O-])c1ccc([P@@](=O)([O-])O)cc1	ZINC000003995880	342740278	/nfs/dbraw/zinc/74/02/78/342740278.db2.gz	JRQRKFDFHAPMGQ-SSDOTTSWSA-N	-1	2	231.144	-0.426	40	0	in-vivo	BBABLM
CSc1nnc2c(=O)[nH]c(=O)nc-2[n-]1	ZINC000005274755	348714367	/nfs/dbraw/zinc/71/43/67/348714367.db2.gz	ASMCPGJTVDZGQJ-UHFFFAOYSA-N	-1	2	211.206	-0.877	40	0		BBABLM
Cc1ccc(-n2nc(C(=O)[O-])c(=O)[nH]c2=O)cc1	ZINC000006413495	178346871	/nfs/dbraw/zinc/34/68/71/178346871.db2.gz	QQACQRNPVVHDRQ-UHFFFAOYSA-N	-1	2	247.210	-0.073	40	0		BBABLM
O=C([O-])c1cc(-[n+]2nc3nonc3[n-]2)ccc1O	ZINC000008575423	342800700	/nfs/dbraw/zinc/80/07/00/342800700.db2.gz	PZLHBAWINJJALO-UHFFFAOYSA-O	-1	2	248.178	-0.374	40	0		BBABLM
Nc1ccccc1NNC(C(=O)[O-])C(=O)O	ZINC000016450211	342911037	/nfs/dbraw/zinc/91/10/37/342911037.db2.gz	VBCLHSOGZKECQI-UHFFFAOYSA-N	-1	2	225.204	-0.277	40	0		BBABLM
O=C([O-])C1CCN(c2nncc(=O)[nH]2)CC1	ZINC000019689616	343773762	/nfs/dbraw/zinc/77/37/62/343773762.db2.gz	JMZHPEIFUONCAZ-UHFFFAOYSA-N	-1	2	224.220	-0.534	40	0		BBABLM
Cc1nc(NS(C)(=O)=O)ncc1C(=O)[O-]	ZINC000020135972	180022686	/nfs/dbraw/zinc/02/26/86/180022686.db2.gz	KIKJLBQXPCTDFG-UHFFFAOYSA-N	-1	2	231.233	-0.145	40	0		BBABLM
CN(C)c1ccc([P@](=O)([O-])O)cn1	ZINC000026441145	411342880	/nfs/dbraw/zinc/34/28/80/411342880.db2.gz	PZZBDGNQXAADSI-UHFFFAOYSA-N	-1	2	202.150	-0.049	40	0		BBABLM
CN(C)c1ccc([P@@](=O)([O-])O)cn1	ZINC000026441145	411342877	/nfs/dbraw/zinc/34/28/77/411342877.db2.gz	PZZBDGNQXAADSI-UHFFFAOYSA-N	-1	2	202.150	-0.049	40	0		BBABLM
Cc1nc2[n-]c(C(=O)O)nn2c(=O)c1[N+](=O)[O-]	ZINC000033792799	368322686	/nfs/dbraw/zinc/32/26/86/368322686.db2.gz	YSTRBWVCIBQDOE-UHFFFAOYSA-N	-1	2	239.147	-0.255	40	0		BBABLM
Cc1ccccc1-n1nc(C(=O)[O-])c(=O)[nH]c1=O	ZINC000062710221	323091190	/nfs/dbraw/zinc/09/11/90/323091190.db2.gz	UKGCHUJAYCBZLL-UHFFFAOYSA-N	-1	2	247.210	-0.073	40	0		BBABLM
COCc1cc(=O)n2[nH]cc(C(=O)[O-])c2n1	ZINC000070451460	187786683	/nfs/dbraw/zinc/78/66/83/187786683.db2.gz	RRRIHXOPGURVOW-UHFFFAOYSA-N	-1	2	223.188	-0.133	40	0		BBABLM
COCc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1	ZINC000070451460	187786681	/nfs/dbraw/zinc/78/66/81/187786681.db2.gz	RRRIHXOPGURVOW-UHFFFAOYSA-N	-1	2	223.188	-0.133	40	0		BBABLM
O=C([O-])C[C@@H](C(=O)[O-])[NH+]1CCOCC1	ZINC000075602965	384046353	/nfs/dbraw/zinc/04/63/53/384046353.db2.gz	UBDUXVILYVIFKH-LURJTMIESA-N	-1	2	203.194	-0.754	40	0		BBABLM
O=C([O-])C[C@H](C(=O)[O-])[NH+]1CCOCC1	ZINC000075602966	384046919	/nfs/dbraw/zinc/04/69/19/384046919.db2.gz	UBDUXVILYVIFKH-ZCFIWIBFSA-N	-1	2	203.194	-0.754	40	0		BBABLM
O=C([O-])c1ccc(-n2ncc(=O)[nH]c2=O)cc1	ZINC000082046937	384645435	/nfs/dbraw/zinc/64/54/35/384645435.db2.gz	QGDCOBBOCPZLEP-UHFFFAOYSA-N	-1	2	233.183	-0.381	40	0		BBABLM
CSc1nc(O)c(CC(=O)[O-])c(=O)[nH]1	ZINC000214931858	386598716	/nfs/dbraw/zinc/59/87/16/386598716.db2.gz	RHQRXZGRLFHKPD-UHFFFAOYSA-N	-1	2	216.218	-0.176	40	0		BBABLM
O=C([O-])C(F)(F)S(=O)(=O)c1ncc[nH]1	ZINC000217575006	388376761	/nfs/dbraw/zinc/37/67/61/388376761.db2.gz	JYXBFTQGBHUNRD-UHFFFAOYSA-N	-1	2	226.160	-0.139	40	0		BBABLM
CS(=O)(=O)Nc1ncc(C(=O)[O-])cn1	ZINC000218774994	386598322	/nfs/dbraw/zinc/59/83/22/386598322.db2.gz	DBCQGKXGGPIWDM-UHFFFAOYSA-N	-1	2	217.206	-0.454	40	0		BBABLM
Cc1nc([C@@H]2C[N@H+](CCO)CCO2)cc(=O)[nH]1	ZINC000257222645	188369578	/nfs/dbraw/zinc/36/95/78/188369578.db2.gz	DUECHDPDGOVMTK-JTQLQIEISA-N	-1	2	239.275	-0.144	40	0		BBABLM
O=C([O-])[C@H]1CCCN(c2nncc(=O)[nH]2)C1	ZINC000400714797	343811046	/nfs/dbraw/zinc/81/10/46/343811046.db2.gz	TZUPRSNHLORKRO-LURJTMIESA-N	-1	2	224.220	-0.122	40	0		BBABLM
O=C([O-])[C@@H]1CCCN(c2nncc(=O)[nH]2)C1	ZINC000400714799	343810807	/nfs/dbraw/zinc/81/08/07/343810807.db2.gz	TZUPRSNHLORKRO-ZCFIWIBFSA-N	-1	2	224.220	-0.122	40	0		BBABLM