smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(Cl)ccc2c(Nc3ccc(C(=O)[O-])cc3)c(C(=O)[O-])c[nH+]c12	ZINC000005510742	206196250	/nfs/dbraw/zinc/19/62/50/206196250.db2.gz	PGZAAQXAGKTSKE-UHFFFAOYSA-N	-1	2	356.765	4.337	50	0		FIAALM
Cc1cc(C)c2c(O)c([C@H](CC(=O)[O-])c3ccccc3)c(=O)oc2c1C	ZINC000226761887	209368486	/nfs/dbraw/zinc/36/84/86/209368486.db2.gz	CZVZISQBYDQXEH-OAHLLOKOSA-N	-1	2	352.386	4.030	50	0		FIAALM
CCc1ccc([C@@H](CC(=O)[O-])c2c(=O)oc3cc(C)cc(C)c3c2O)cc1	ZINC000226758510	209367887	/nfs/dbraw/zinc/36/78/87/209367887.db2.gz	HLGPETVXXCCEBT-MRXNPFEDSA-N	-1	2	366.413	4.284	50	0		FIAALM
CCc1ccc([C@H](CC(=O)[O-])c2c(=O)oc3cc(C)cc(C)c3c2O)cc1	ZINC000226758519	209368536	/nfs/dbraw/zinc/36/85/36/209368536.db2.gz	HLGPETVXXCCEBT-INIZCTEOSA-N	-1	2	366.413	4.284	50	0		FIAALM
Cc1cc(C)c2c(O)c([C@@H](CC(=O)[O-])c3ccccc3)c(=O)oc2c1C	ZINC000226761885	209368087	/nfs/dbraw/zinc/36/80/87/209368087.db2.gz	CZVZISQBYDQXEH-HNNXBMFYSA-N	-1	2	352.386	4.030	50	0		FIAALM
O=C([O-])CCCCCn1c(=O)c2oc3ccc(Cl)cc3c2[nH]c1=S	ZINC000101416214	570819963	/nfs/dbraw/zinc/81/99/63/570819963.db2.gz	BRBGZSMLHPRPQE-UHFFFAOYSA-N	-1	2	366.826	4.104	50	0		FIAALM
O=C([O-])c1ccc(Oc2c(=O)c3ccc(O)cc3oc2C(F)(F)F)cc1	ZINC000023230530	211380696	/nfs/dbraw/zinc/38/06/96/211380696.db2.gz	VYSPWKZQRJWNHF-UHFFFAOYSA-N	-1	2	366.247	4.008	50	0		FIAALM
CCc1ccc(Oc2c(CC(=O)[O-])oc3cc(O)c(CC)cc3c2=O)cc1	ZINC000020293789	220320220	/nfs/dbraw/zinc/32/02/20/220320220.db2.gz	ZGJLQNQPXMHIOG-UHFFFAOYSA-N	-1	2	368.385	4.043	50	0		FIAALM
O=c1cc(O)[nH]c2c1sc1nc(-c3ccncc3)cc(C(F)(F)F)c12	ZINC000013401791	211033103	/nfs/dbraw/zinc/03/31/03/211033103.db2.gz	SRTQIISYGUSLIN-UHFFFAOYSA-N	-1	2	363.320	4.337	50	0		FIAALM
COc1ccccc1Oc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1	ZINC000011517285	570451679	/nfs/dbraw/zinc/45/16/79/570451679.db2.gz	CCBDWOFMUMYVGD-UHFFFAOYSA-N	-1	2	360.373	4.011	50	0		FIAALM
Cc1c(Cl)ccc2c(Nc3cccc(C(=O)[O-])c3)c(C(=O)[O-])c[nH+]c12	ZINC000002889524	571341571	/nfs/dbraw/zinc/34/15/71/571341571.db2.gz	VCIPPGSEIQWPQS-UHFFFAOYSA-N	-1	2	356.765	4.337	50	0		FIAALM
O=c1[nH]c(SCc2ccccc2)nc2c1C[N@H+](Cc1ccccc1)CC2	ZINC000033287231	568488303	/nfs/dbraw/zinc/48/83/03/568488303.db2.gz	SLIMKNJFAWJTQJ-UHFFFAOYSA-N	-1	2	363.486	4.033	50	0		FIAALM
Cc1ccc(NC(=O)c2cc3ccccc3cc2O[P@@](=O)([O-])O)c(C)c1	ZINC000001995277	570511518	/nfs/dbraw/zinc/51/15/18/570511518.db2.gz	IOMLBTHPCVDRHM-UHFFFAOYSA-N	-1	2	371.329	4.180	50	0		FIAALM
Cc1ccc(NC(=O)c2cc3ccccc3cc2O[P@](=O)([O-])O)c(C)c1	ZINC000001995277	570511521	/nfs/dbraw/zinc/51/15/21/570511521.db2.gz	IOMLBTHPCVDRHM-UHFFFAOYSA-N	-1	2	371.329	4.180	50	0		FIAALM