smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[P@@]([O-])(O)Oc1cc(Cl)c(Cl)cc1Cl	ZINC000071772400	369810553	/nfs/dbraw/zinc/81/05/53/369810553.db2.gz	UYJJSDVGYDHALK-UHFFFAOYSA-N	-1	2	277.427	3.118	50	0		CGAALM
O=[P@]([O-])(O)Oc1cc(Cl)c(Cl)cc1Cl	ZINC000071772400	369810561	/nfs/dbraw/zinc/81/05/61/369810561.db2.gz	UYJJSDVGYDHALK-UHFFFAOYSA-N	-1	2	277.427	3.118	50	0		CGAALM
CC(C)CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@@H](C(=O)O)C1	ZINC000216330609	376161473	/nfs/dbraw/zinc/16/14/73/376161473.db2.gz	ZVEOVTRRNBJHNK-UTUOFQBUSA-N	-1	2	256.342	3.014	50	0		CGAALM
CC(C)CCC[C@@H]1CC[C@H](C(=O)[O-])[C@@H](C(=O)O)C1	ZINC000216330701	278755871	/nfs/dbraw/zinc/75/58/71/278755871.db2.gz	ZVEOVTRRNBJHNK-WOPDTQHZSA-N	-1	2	256.342	3.014	50	0		CGAALM
CCCCn1cc([C@@H](CC(=O)[O-])C(=O)O)c2ccccc21	ZINC000016489850	368713877	/nfs/dbraw/zinc/71/38/77/368713877.db2.gz	BROBDRSQJAMDRG-GFCCVEGCSA-N	-1	2	289.331	3.084	50	0		CGAALM
CCCCn1cc([C@H](CC(=O)[O-])C(=O)O)c2ccccc21	ZINC000016489854	368713292	/nfs/dbraw/zinc/71/32/92/368713292.db2.gz	BROBDRSQJAMDRG-LBPRGKRZSA-N	-1	2	289.331	3.084	50	0		CGAALM
O=C([O-])c1ccc(COc2ccccc2Cl)o1	ZINC000000214632	368317772	/nfs/dbraw/zinc/31/77/72/368317772.db2.gz	DLWYYIUBVKLTQZ-UHFFFAOYSA-N	-1	2	252.653	3.210	50	0		CGAALM
CC(C)CCC[C@@H]1CC[C@H](C(=O)[O-])[C@H](C(=O)O)C1	ZINC000045070999	391989326	/nfs/dbraw/zinc/98/93/26/391989326.db2.gz	ZVEOVTRRNBJHNK-GRYCIOLGSA-N	-1	2	256.342	3.014	50	0		CGAALM
CC(C)c1cccc(C(C)C)c1O[P@@](=O)([O-])O	ZINC000001554399	397602647	/nfs/dbraw/zinc/60/26/47/397602647.db2.gz	BJHATUDJCAXTIH-UHFFFAOYSA-N	-1	2	258.254	3.405	50	0	investigational	CGAALM
CC(C)c1cccc(C(C)C)c1O[P@](=O)([O-])O	ZINC000001554399	397602651	/nfs/dbraw/zinc/60/26/51/397602651.db2.gz	BJHATUDJCAXTIH-UHFFFAOYSA-N	-1	2	258.254	3.405	50	0	investigational	CGAALM
CC[N@H+]1CCc2c(sc3[nH]c(=S)[nH]c(=S)c23)C1	ZINC000006783686	368569470	/nfs/dbraw/zinc/56/94/70/368569470.db2.gz	FUPYBTPPRHUERR-UHFFFAOYSA-N	-1	2	283.447	3.021	50	0		CGAALM
O=C([O-])c1cccnc1SCc1cccc(F)c1	ZINC000000216093	368317411	/nfs/dbraw/zinc/31/74/11/368317411.db2.gz	PSQSVMUIUOYKBQ-UHFFFAOYSA-N	-1	2	263.293	3.211	50	0		CGAALM
Cn1[n-]c(CSc2ccc(Cl)cc2)cc1=O	ZINC000100914016	370285464	/nfs/dbraw/zinc/28/54/64/370285464.db2.gz	SKNXMYGKUCMKBA-UHFFFAOYSA-N	-1	2	254.742	3.071	50	0		CGAALM
O=C([O-])c1ccccc1C(=O)c1ccc2ccccc2c1O	ZINC000000406170	304267357	/nfs/dbraw/zinc/26/73/57/304267357.db2.gz	ZBWGQLXHDJCVIR-UHFFFAOYSA-N	-1	2	292.290	3.475	50	0		CGAALM
CC(C)CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H](C(=O)O)C1	ZINC000045071003	175301458	/nfs/dbraw/zinc/30/14/58/175301458.db2.gz	ZVEOVTRRNBJHNK-IJLUTSLNSA-N	-1	2	256.342	3.014	50	0		CGAALM