smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCc1c(O)nc(SCCC(=O)[O-])[nH]c1=O	ZINC000008580286	170341900	/nfs/dbraw/zinc/34/19/00/170341900.db2.gz	CZALNVNAHRJHAX-UHFFFAOYSA-N	-3	2	272.326	1.385	50	0		CDAALL
O=C([O-])CSC(=S)Nc1ccc(O)c(C(=O)[O-])c1	ZINC000022591511	342089072	/nfs/dbraw/zinc/08/90/72/342089072.db2.gz	CQRBPWBNDIMPRF-UHFFFAOYSA-N	-2	2	287.318	1.605	50	0		CDAALL
O=P([O-])(O)C12CC3CC(C1)CC([P@](=O)([O-])O)(C3)C2	ZINC000003176928	375575797	/nfs/dbraw/zinc/57/57/97/375575797.db2.gz	QELIZTPCIRIJDQ-UHFFFAOYSA-N	-2	2	296.196	1.433	50	0		CDAALL
O=P([O-])(O)C12CC3CC(C1)CC([P@@](=O)([O-])O)(C3)C2	ZINC000003176928	375575810	/nfs/dbraw/zinc/57/58/10/375575810.db2.gz	QELIZTPCIRIJDQ-UHFFFAOYSA-N	-2	2	296.196	1.433	50	0		CDAALL
O=P([O-])(O)CCCCCCCC[P@](=O)([O-])O	ZINC000034744001	356818816	/nfs/dbraw/zinc/81/88/16/356818816.db2.gz	VRAVNKVHQXXAQW-UHFFFAOYSA-N	-4	2	274.190	1.682	50	0		CDAALL
O=P([O-])(O)CCCCCCCC[P@@](=O)([O-])O	ZINC000034744001	356818817	/nfs/dbraw/zinc/81/88/17/356818817.db2.gz	VRAVNKVHQXXAQW-UHFFFAOYSA-N	-2	2	274.190	1.682	50	0		CDAALL
C[C@@H](CCCc1c(O)[nH]c(=S)[nH]c1=O)C(=O)[O-]	ZINC000019862293	348745208	/nfs/dbraw/zinc/74/52/08/348745208.db2.gz	MGLCTCABVCLEJK-YFKPBYRVSA-N	-3	2	258.299	1.594	50	0		CDAALL
Cc1ccc(NCC(P(=O)([O-])O)[P@@](=O)([O-])O)cc1	ZINC000002224183	369929823	/nfs/dbraw/zinc/92/98/23/369929823.db2.gz	HHHYSJINAKBFKA-UHFFFAOYSA-N	-2	2	295.168	1.088	50	0		CDAALL
Cc1ccc(NCC(P(=O)([O-])O)[P@](=O)([O-])O)cc1	ZINC000002224183	369929832	/nfs/dbraw/zinc/92/98/32/369929832.db2.gz	HHHYSJINAKBFKA-UHFFFAOYSA-N	-2	2	295.168	1.088	50	0		CDAALL
O=S(=O)(Nc1ccccn1)c1ccc(O)cc1	ZINC000014983431	356402700	/nfs/dbraw/zinc/40/27/00/356402700.db2.gz	KCPKHARJPAOWBX-UHFFFAOYSA-N	-2	2	250.279	1.588	50	0		CDAALL
CCCCCCc1c(O)nc(SCC(=O)[O-])[nH]c1=O	ZINC000020065852	356524108	/nfs/dbraw/zinc/52/41/08/356524108.db2.gz	SDDFHJUILKEVTJ-UHFFFAOYSA-N	-3	2	286.353	1.775	50	0		CDAALL
C[C@H](CCCc1c(O)[nH]c(=S)[nH]c1=O)C(=O)[O-]	ZINC000019862296	348745427	/nfs/dbraw/zinc/74/54/27/348745427.db2.gz	MGLCTCABVCLEJK-RXMQYKEDSA-N	-3	2	258.299	1.594	50	0		CDAALL
O=P([O-])(O)Cc1ccccc1C[P@](=O)([O-])O	ZINC000027562957	373755386	/nfs/dbraw/zinc/75/53/86/373755386.db2.gz	ZCVUWZJGYKGTPG-UHFFFAOYSA-N	-2	2	266.126	1.042	50	0		CDAALL
O=P([O-])(O)Cc1ccccc1C[P@@](=O)([O-])O	ZINC000027562957	373755392	/nfs/dbraw/zinc/75/53/92/373755392.db2.gz	ZCVUWZJGYKGTPG-UHFFFAOYSA-N	-2	2	266.126	1.042	50	0		CDAALL
Cc1ccc(C(=O)CCc2c(O)[nH]c(=S)[nH]c2=O)cc1	ZINC000000408475	355909817	/nfs/dbraw/zinc/90/98/17/355909817.db2.gz	UNFVRJHJHOWALZ-UHFFFAOYSA-N	-2	2	290.344	1.105	50	0		CDAALL
COc1ccc(C(=O)CSc2nc(O)cc(=O)[nH]2)cc1	ZINC000017722906	356463073	/nfs/dbraw/zinc/46/30/73/356463073.db2.gz	UOSZYMFCVQHLQD-UHFFFAOYSA-N	-2	2	292.316	1.459	50	0		CDAALL
O=P([O-])(O)Cc1ccc(C[P@](=O)([O-])O)cc1	ZINC000002547810	358024302	/nfs/dbraw/zinc/02/43/02/358024302.db2.gz	ZURHBENZJDSCRG-UHFFFAOYSA-N	-2	2	266.126	1.042	50	0		CDAALL
O=P([O-])(O)Cc1ccc(C[P@@](=O)([O-])O)cc1	ZINC000002547810	358024316	/nfs/dbraw/zinc/02/43/16/358024316.db2.gz	ZURHBENZJDSCRG-UHFFFAOYSA-N	-2	2	266.126	1.042	50	0		CDAALL