smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1cccc(NC([O-])=C2C(=O)NC(=O)NC2=O)c1	ZINC000015952738	182026448	/nfs/dbraw/zinc/02/64/48/182026448.db2.gz	AZCWJIOQXANOEZ-UHFFFAOYSA-N	-1	2	319.273	0.411	1	0		DCAFLM
Nc1ccc(S(=O)(=O)Nc2nnc(CC(=O)[O-])s2)cc1	ZINC000066079220	184387442	/nfs/dbraw/zinc/38/74/42/184387442.db2.gz	QEVCCNDCQIKBEP-UHFFFAOYSA-N	-1	2	314.348	0.548	1	0		DCAFLM
Nc1ncnc2c1nc(-c1ccc([P@@](=O)([O-])O)o1)n2C1CC1	ZINC000040913639	183147797	/nfs/dbraw/zinc/14/77/97/183147797.db2.gz	NSROVYPOWNMBGC-UHFFFAOYSA-N	-1	2	321.233	0.806	1	0		DCAFLM
Nc1ncnc2c1nc(-c1ccc([P@](=O)([O-])O)o1)n2C1CC1	ZINC000040913639	183147800	/nfs/dbraw/zinc/14/78/00/183147800.db2.gz	NSROVYPOWNMBGC-UHFFFAOYSA-N	-1	2	321.233	0.806	1	0		DCAFLM
Nc1nc(=S)c2c([nH]1)N(CCOC[P@@](=O)([O-])O)CN2	ZINC000042923185	183319181	/nfs/dbraw/zinc/31/91/81/183319181.db2.gz	FMFSJYMYNWKBLN-UHFFFAOYSA-N	-1	2	307.272	0.063	1	0		DCAFLM
Nc1nc(=S)c2c([nH]1)N(CCOC[P@](=O)([O-])O)CN2	ZINC000042923185	183319184	/nfs/dbraw/zinc/31/91/84/183319184.db2.gz	FMFSJYMYNWKBLN-UHFFFAOYSA-N	-1	2	307.272	0.063	1	0		DCAFLM
CCCCn1cc[n+](CC(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000095587649	185381787	/nfs/dbraw/zinc/38/17/87/185381787.db2.gz	VVBXAVASZFMBBV-UHFFFAOYSA-O	-1	2	313.207	0.257	1	0		DCAFLM
CCCCn1cc[n+](CC(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000095587649	185381788	/nfs/dbraw/zinc/38/17/88/185381788.db2.gz	VVBXAVASZFMBBV-UHFFFAOYSA-O	-1	2	313.207	0.257	1	0		DCAFLM
Nc1nc(Cl)nc2c1ncn2CCCCO[P@@](=O)([O-])O	ZINC000043018969	183328721	/nfs/dbraw/zinc/32/87/21/183328721.db2.gz	BBMPXKHVZRPOHD-UHFFFAOYSA-N	-1	2	321.661	0.951	1	0		DCAFLM
Nc1nc(Cl)nc2c1ncn2CCCCO[P@](=O)([O-])O	ZINC000043018969	183328722	/nfs/dbraw/zinc/32/87/22/183328722.db2.gz	BBMPXKHVZRPOHD-UHFFFAOYSA-N	-1	2	321.661	0.951	1	0		DCAFLM
CCOC(=O)c1ccccc1NC([O-])=C1C(=O)NC(=O)NC1=O	ZINC000015973628	182026937	/nfs/dbraw/zinc/02/69/37/182026937.db2.gz	JLLWZHDWDIHYHS-UHFFFAOYSA-N	-1	2	319.273	0.411	1	0		DCAFLM
CCn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000040845689	183141385	/nfs/dbraw/zinc/14/13/85/183141385.db2.gz	TUCOSIRVDGBMGI-UHFFFAOYSA-N	-1	2	309.222	0.491	1	0		DCAFLM
CCn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1ncnc2N	ZINC000040845689	183141387	/nfs/dbraw/zinc/14/13/87/183141387.db2.gz	TUCOSIRVDGBMGI-UHFFFAOYSA-N	-1	2	309.222	0.491	1	0		DCAFLM
CCOC(=O)c1sc(N)nc1-c1ccc([P@@](=O)([O-])O)o1	ZINC000040428873	183066205	/nfs/dbraw/zinc/06/62/05/183066205.db2.gz	MKHRVPVZACRCRQ-UHFFFAOYSA-N	-1	2	318.247	0.965	1	0		DCAFLM
CCOC(=O)c1sc(N)nc1-c1ccc([P@](=O)([O-])O)o1	ZINC000040428873	183066207	/nfs/dbraw/zinc/06/62/07/183066207.db2.gz	MKHRVPVZACRCRQ-UHFFFAOYSA-N	-1	2	318.247	0.965	1	0		DCAFLM
CN(C)C(=O)c1sc(N)nc1-c1ccc([P@@](=O)([O-])O)o1	ZINC000066103942	184389525	/nfs/dbraw/zinc/38/95/25/184389525.db2.gz	IBVHORRLRRTDTI-UHFFFAOYSA-N	-1	2	317.263	0.490	1	0		DCAFLM
CN(C)C(=O)c1sc(N)nc1-c1ccc([P@](=O)([O-])O)o1	ZINC000066103942	184389527	/nfs/dbraw/zinc/38/95/27/184389527.db2.gz	IBVHORRLRRTDTI-UHFFFAOYSA-N	-1	2	317.263	0.490	1	0		DCAFLM