smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2Cc2ccccc2OC[P@](=O)([O-])O)c(=O)[nH]1	ZINC000002014094	204024115	/nfs/dbraw/zinc/02/41/15/204024115.db2.gz	AFCDMNPLNJGIQN-UHFFFAOYSA-N	-1	1	351.259	0.264	1	0		FCAFMM
Nc1ncnc2c1ncn2C[C@H](OC[P@](=O)([O-])O)Oc1ccccc1	ZINC000005939127	204230536	/nfs/dbraw/zinc/23/05/36/204230536.db2.gz	SHPUIWGGRSXKHJ-LLVKDONJSA-N	-1	1	365.286	0.965	1	0		FCAFMM
Cc1csc2nc([O-])c(C(=O)NCCCN3CCCC3=O)c(=O)n12	ZINC000010166740	204391814	/nfs/dbraw/zinc/39/18/14/204391814.db2.gz	GLCATRBLNFMRNW-UHFFFAOYSA-N	-1	1	350.400	0.512	1	0		FCAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccc(F)cc2)[n-]c1=O	ZINC000102971585	222316654	/nfs/dbraw/zinc/31/66/54/222316654.db2.gz	SNILWDIEKARQSB-SFGFDRCGSA-N	-1	1	354.385	0.881	1	0		FCAFMM
Nc1ccn(C[C@H](CO)C[C@H](c2ccccc2)[P@](=O)([O-])O)c(=O)n1	ZINC000001633692	204015087	/nfs/dbraw/zinc/01/50/87/204015087.db2.gz	OWAHBWHHUTWRNX-DGCLKSJQSA-N	-1	1	353.315	0.743	1	0		FCAFMM
CC(=O)N[C@@H]1CCN(C(=O)c2cnc(COc3ccccc3)[n-]c2=O)C1	ZINC000091635837	519690818	/nfs/dbraw/zinc/69/08/18/519690818.db2.gz	QGCRMAKMTLSKJR-CYBMUJFWSA-N	-1	1	356.382	0.700	1	0		FCAFMM
Nc1nc2c(ncn2CCOC[P@](=O)([O-])O)c(NCC(F)(F)F)n1	ZINC000003639628	204109098	/nfs/dbraw/zinc/10/90/98/204109098.db2.gz	VFOXDAHCGDXOMK-UHFFFAOYSA-N	-1	1	370.228	0.535	1	0		FCAFMM
CCN(C(=O)N1C[C@H]([NH3+])[C@H](C(=O)[O-])[C@@H]1C[N-]C(=O)C(F)(F)F)C(C)C	ZINC000169322286	206250388	/nfs/dbraw/zinc/25/03/88/206250388.db2.gz	GMJVHVPBWHAYQO-GUBZILKMSA-N	-1	1	368.356	0.228	1	0		FCAFMM
C[C@@H](NCc1cc(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c12)[P@](=O)([O-])O	ZINC000001546577	204012089	/nfs/dbraw/zinc/01/20/89/204012089.db2.gz	RDTOXUOEIJUIMX-YFKPBYRVSA-N	-1	1	367.220	0.849	1	0		FCAFMM
Nc1nc2c(ncn2CCO[C@H](c2ccccc2)[P@](=O)([O-])O)c(N)n1	ZINC000003593609	204107908	/nfs/dbraw/zinc/10/79/08/204107908.db2.gz	BMKRRDOLNYLTAX-ZDUSSCGKSA-N	-1	1	364.302	0.884	1	0		FCAFMM
Cc1cn(C[C@@H](OC[P@](=O)([O-])O)Oc2ccccc2)c(=O)[nH]c1=O	ZINC000001658289	204015722	/nfs/dbraw/zinc/01/57/22/204015722.db2.gz	ZYJYFFZNDBWOLS-LBPRGKRZSA-N	-1	1	356.271	0.402	1	0		FCAFMM
Cc1ccc([C@H]2CNN=C2S(=O)(=O)Cc2n[n-]c(=S)n2N)cc1	ZINC000040834304	205083500	/nfs/dbraw/zinc/08/35/00/205083500.db2.gz	HTFSKLJVZPPDPI-SNVBAGLBSA-N	-1	1	352.445	0.578	1	0		FCAFMM
CN1CCN(c2cc3c(cc2N)C([O-])=CS(=O)(=O)N3C2CC2)CC1	ZINC000169327260	132261449	/nfs/dbraw/zinc/26/14/49/132261449.db2.gz	NZAWHURUAKMUSK-UHFFFAOYSA-N	-1	1	350.444	0.516	1	0		FCAFMM
CC1=C([O-])c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O	ZINC000169323859	132261463	/nfs/dbraw/zinc/26/14/63/132261463.db2.gz	KXYKZODUZGBZJJ-LLVKDONJSA-N	-1	1	364.471	0.904	1	0		FCAFMM
Cc1cn(C[C@H](OC[P@](=O)([O-])O)Oc2ccccc2)c(=O)[nH]c1=O	ZINC000031905215	208020499	/nfs/dbraw/zinc/02/04/99/208020499.db2.gz	ZYJYFFZNDBWOLS-GFCCVEGCSA-N	-1	1	356.271	0.402	1	0		FCAFMM
Cc1[n-][nH]c(=O)c1[C@@H]1CC(c2c[nH]c3ccccc32)=NN(C(N)=O)C1=O	ZINC000102934965	209243977	/nfs/dbraw/zinc/24/39/77/209243977.db2.gz	RVALZZMAGHPCHB-HZMBPMFUSA-N	-1	1	352.354	0.921	1	0		FCAFMM
Nn1c(CS(=O)(=O)C2=NNC[C@@H]2c2ccc(Cl)cc2)n[n-]c1=S	ZINC000040425429	208253455	/nfs/dbraw/zinc/25/34/55/208253455.db2.gz	PKSDNBRVXDBSML-SECBINFHSA-N	-1	1	372.863	0.923	1	0		FCAFMM
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000039805885	208214912	/nfs/dbraw/zinc/21/49/12/208214912.db2.gz	PKOHVHWNGUHYRE-ZFWWWQNUSA-N	-1	1	358.398	0.230	1	0		FCAFMM
Cc1[n-][nH]c(=O)c1[C@@H]1CC(c2c[nH]c3ccccc32)=NN(C(N)=O)C1=O	ZINC000102934966	209243527	/nfs/dbraw/zinc/24/35/27/209243527.db2.gz	RVALZZMAGHPCHB-IINYFYTJSA-N	-1	1	352.354	0.921	1	0		FCAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2cccc(O)c2)[n-]c1=O	ZINC000034987850	208117408	/nfs/dbraw/zinc/11/74/08/208117408.db2.gz	DGMFZDDDSZNGLR-SFGFDRCGSA-N	-1	1	352.394	0.447	1	0		FCAFMM
CN1CCOC[C@H]1C1=NC(C(=O)NCc2ccc(F)cc2)C(=O)C(=O)[N-]1	ZINC000014979424	211110035	/nfs/dbraw/zinc/11/00/35/211110035.db2.gz	BGXZYEOFLCTRQZ-LBPRGKRZSA-N	-1	1	362.361	0.548	1	0		FCAFMM
Nc1nc2c(ncn2Cc2cccc(C=CC[P@](=O)([O-])O)c2)c(=O)[nH]1	ZINC000001534071	210360971	/nfs/dbraw/zinc/36/09/71/210360971.db2.gz	VZDYGMKUGAQYGY-GORDUTHDSA-N	-1	1	361.298	0.941	1	0		FCAFMM
Nc1nc2c(ncn2C[C@@H](CF)OC[P@](=O)([O-])O)c(N2CCCC2)n1	ZINC000071317610	221342041	/nfs/dbraw/zinc/34/20/41/221342041.db2.gz	FOVANXUAPNKSDQ-SECBINFHSA-N	-1	1	374.313	0.499	1	0		FCAFMM
Nc1ncnc2c1nc(Br)n2CCOC[P@](=O)([O-])O	ZINC000026181961	210243628	/nfs/dbraw/zinc/24/36/28/210243628.db2.gz	OQEILKBTUXZPBJ-UHFFFAOYSA-N	-1	1	352.085	0.323	1	0		FCAFMM
Nc1nc2c(ncn2C[C@@H](CF)OC[P@](=O)([O-])O)c(NC2CC2)n1	ZINC000071319202	221343166	/nfs/dbraw/zinc/34/31/66/221343166.db2.gz	UFZJAPCFBPHQNK-MRVPVSSYSA-N	-1	1	360.286	0.473	1	0		FCAFMM
Nc1ncnc2c1ncn2Cc1cn(CCCC[P@](=O)([O-])O)nn1	ZINC000103278349	222330888	/nfs/dbraw/zinc/33/08/88/222330888.db2.gz	JWOLPKFBOPYIKI-UHFFFAOYSA-N	-1	1	352.295	0.006	1	0		FCAFMM
Nc1nc2c(ncn2Cc2cccc(COC[P@](=O)([O-])O)c2)c(=O)[nH]1	ZINC000001534069	210359318	/nfs/dbraw/zinc/35/93/18/210359318.db2.gz	NARPDSYSVOSIAJ-UHFFFAOYSA-N	-1	1	365.286	0.402	1	0		FCAFMM
CC1=C([O-])c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O	ZINC000169323860	132261361	/nfs/dbraw/zinc/26/13/61/132261361.db2.gz	KXYKZODUZGBZJJ-NSHDSACASA-N	-1	1	364.471	0.904	1	0		FCAFMM
Cc1[n-][nH]c(=O)c1[C@H]1CC(c2c[nH]c3ccccc32)=NN(C(N)=O)C1=O	ZINC000102934968	222315470	/nfs/dbraw/zinc/31/54/70/222315470.db2.gz	RVALZZMAGHPCHB-YGRLFVJLSA-N	-1	1	352.354	0.921	1	0		FCAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2O)[n-]c1=O	ZINC000102976563	222316261	/nfs/dbraw/zinc/31/62/61/222316261.db2.gz	NAIDWMQNEMKDCT-QKPPEBSVSA-N	-1	1	352.394	0.447	1	0		FCAFMM
Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2c2c1C(=O)[N-]C2=O	ZINC000014947195	211106395	/nfs/dbraw/zinc/10/63/95/211106395.db2.gz	BWFATQRDRVJBNH-UHFFFAOYSA-N	-1	1	361.379	0.448	1	0		FCAFMM
Nc1ccn(C[C@H](CO)C[C@@H](c2ccccc2)[P@](=O)([O-])O)c(=O)n1	ZINC000001633693	210364698	/nfs/dbraw/zinc/36/46/98/210364698.db2.gz	OWAHBWHHUTWRNX-YPMHNXCESA-N	-1	1	353.315	0.743	1	0		FCAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccc2F)[n-]c1=O	ZINC000102973213	222316901	/nfs/dbraw/zinc/31/69/01/222316901.db2.gz	XUFDLZRFGYSRTB-SFGFDRCGSA-N	-1	1	354.385	0.881	1	0		FCAFMM
NC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000001863777	210372770	/nfs/dbraw/zinc/37/27/70/210372770.db2.gz	DNJKYTRZNPUEST-UHFFFAOYSA-N	-1	1	370.412	0.625	1	0		FCAFMM
COc1cc2nc(C[C@@H]([NH3+])C(=O)[O-])c(C[P@](=O)([O-])O)nc2cc1OC	ZINC000013861297	220097964	/nfs/dbraw/zinc/09/79/64/220097964.db2.gz	OEVYBHFBHAXOOH-SSDOTTSWSA-N	-1	1	371.286	0.279	1	0		FCAFMM
COc1cc2oc(C)cc(=O)c2c([O-])c1CS(=O)(=O)CCNC(C)=O	ZINC000013385308	291029726	/nfs/dbraw/zinc/02/97/26/291029726.db2.gz	OAZAJOMBGGJIBB-UHFFFAOYSA-N	-1	1	369.395	0.867	1	0	biogenic,in-vitro	FCAFMM
COc1cc2oc(C)cc([O-])c-2c(=O)c1CS(=O)(=O)CCNC(C)=O	ZINC000013385308	291029730	/nfs/dbraw/zinc/02/97/30/291029730.db2.gz	OAZAJOMBGGJIBB-UHFFFAOYSA-N	-1	1	369.395	0.867	1	0	biogenic,in-vitro	FCAFMM
CCCNc1nc(N)nc2c1ncn2C[C@H](CF)OC[P@](=O)([O-])O	ZINC000071317204	221341179	/nfs/dbraw/zinc/34/11/79/221341179.db2.gz	FMLCEUSRKWMBON-QMMMGPOBSA-N	-1	1	362.302	0.720	1	0		FCAFMM
Cc1[n-][nH]c(=O)c1[C@H]1CC(c2c[nH]c3ccccc32)=NN(C(N)=O)C1=O	ZINC000102934969	222315493	/nfs/dbraw/zinc/31/54/93/222315493.db2.gz	RVALZZMAGHPCHB-QMTHXVAHSA-N	-1	1	352.354	0.921	1	0		FCAFMM
CC(=O)N(C)[C@H]1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c([O-])c2=O	ZINC000014979476	220139143	/nfs/dbraw/zinc/13/91/43/220139143.db2.gz	JLZCSXKYBBMRRA-ZDUSSCGKSA-N	-1	1	374.372	0.941	1	0		FCAFMM
Nc1nc2c(ncn2Cc2cccc(OC[P@](=O)([O-])O)c2)c(=O)[nH]1	ZINC000013833695	220097232	/nfs/dbraw/zinc/09/72/32/220097232.db2.gz	WXZSLCNKZFORPD-UHFFFAOYSA-N	-1	1	351.259	0.264	1	0		FCAFMM