smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N)c2c([nH+]1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000001545199	562922753	/nfs/dbraw/zinc/92/27/53/562922753.db2.gz	JVKOZIXIYHORFY-DOMZBBRYSA-N	-1	2	442.476	0.906	1	0		ICAFLM
Nc1nc2c(c(N)[nH+]1)C[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000001545199	562922752	/nfs/dbraw/zinc/92/27/52/562922752.db2.gz	JVKOZIXIYHORFY-DOMZBBRYSA-N	-1	2	442.476	0.906	1	0		ICAFLM
Nc1nc(N)c2c([nH+]1)NC[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000003935757	562939496	/nfs/dbraw/zinc/93/94/96/562939496.db2.gz	JVKOZIXIYHORFY-WFASDCNBSA-N	-1	2	442.476	0.906	1	0		ICAFLM
Nc1nc2c(c(N)[nH+]1)C[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000003935757	562939495	/nfs/dbraw/zinc/93/94/95/562939495.db2.gz	JVKOZIXIYHORFY-WFASDCNBSA-N	-1	2	442.476	0.906	1	0		ICAFLM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([P@](=O)([O-])O)cc2cc1C3	ZINC000013649184	562998883	/nfs/dbraw/zinc/99/88/83/562998883.db2.gz	VIVQXNOLEJJICU-FQEVSTJZSA-N	-1	2	428.337	0.883	1	0		ICAFLM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([P@@](=O)([O-])O)cc2cc1C3	ZINC000013649184	562998881	/nfs/dbraw/zinc/99/88/81/562998881.db2.gz	VIVQXNOLEJJICU-FQEVSTJZSA-N	-1	2	428.337	0.883	1	0		ICAFLM
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@@H]2CNc3[nH+]c(N)nc(N)c3C2)o1)C(=O)[O-]	ZINC000027880434	563047849	/nfs/dbraw/zinc/04/78/49/563047849.db2.gz	WVFMOCGMKPUTRR-WVDJIFEKSA-N	-1	2	446.464	0.889	1	0		ICAFLM
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@@H]2CNc3nc(N)[nH+]c(N)c3C2)o1)C(=O)[O-]	ZINC000027880434	563047848	/nfs/dbraw/zinc/04/78/48/563047848.db2.gz	WVFMOCGMKPUTRR-WVDJIFEKSA-N	-1	2	446.464	0.889	1	0		ICAFLM
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3[nH+]c(N)nc(N)c3C2)o1)C(=O)[O-]	ZINC000027880441	563047884	/nfs/dbraw/zinc/04/78/84/563047884.db2.gz	WVFMOCGMKPUTRR-CFMSYZGJSA-N	-1	2	446.464	0.889	1	0		ICAFLM
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3nc(N)[nH+]c(N)c3C2)o1)C(=O)[O-]	ZINC000027880441	563047883	/nfs/dbraw/zinc/04/78/83/563047883.db2.gz	WVFMOCGMKPUTRR-CFMSYZGJSA-N	-1	2	446.464	0.889	1	0		ICAFLM
Nc1nc(N)c2c([nH+]1)NC[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000028008479	563049578	/nfs/dbraw/zinc/04/95/78/563049578.db2.gz	JVKOZIXIYHORFY-IUODEOHRSA-N	-1	2	442.476	0.906	1	0		ICAFLM
Nc1nc2c(c(N)[nH+]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000028008479	563049577	/nfs/dbraw/zinc/04/95/77/563049577.db2.gz	JVKOZIXIYHORFY-IUODEOHRSA-N	-1	2	442.476	0.906	1	0		ICAFLM
Nc1nc(N)c2c([nH+]1)NC[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	ZINC000028008483	563049560	/nfs/dbraw/zinc/04/95/60/563049560.db2.gz	JVKOZIXIYHORFY-SWLSCSKDSA-N	-1	2	442.476	0.906	1	0		ICAFLM
Nc1nc2c(c(N)[nH+]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2	ZINC000028008483	563049558	/nfs/dbraw/zinc/04/95/58/563049558.db2.gz	JVKOZIXIYHORFY-SWLSCSKDSA-N	-1	2	442.476	0.906	1	0		ICAFLM
C[C@@H](O[P@](=O)([O-])O)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028460581	563055025	/nfs/dbraw/zinc/05/50/25/563055025.db2.gz	COWMXVMWLIKSGU-KMFMINBZSA-N	-1	2	441.421	0.468	1	0		ICAFLM
C[C@@H](O[P@@](=O)([O-])O)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028460581	563055024	/nfs/dbraw/zinc/05/50/24/563055024.db2.gz	COWMXVMWLIKSGU-KMFMINBZSA-N	-1	2	441.421	0.468	1	0		ICAFLM
C[C@@H](O[P@](=O)([O-])O)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC=C[C@H]1C(N)=O	ZINC000028463063	563055150	/nfs/dbraw/zinc/05/51/50/563055150.db2.gz	RNEHSZHXDXAAEX-KMFMINBZSA-N	-1	2	439.405	0.244	1	0		ICAFLM
C[C@@H](O[P@@](=O)([O-])O)[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CC=C[C@H]1C(N)=O	ZINC000028463063	563055148	/nfs/dbraw/zinc/05/51/48/563055148.db2.gz	RNEHSZHXDXAAEX-KMFMINBZSA-N	-1	2	439.405	0.244	1	0		ICAFLM
C[C@@H](O[P@](=O)([O-])O)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028464040	563055284	/nfs/dbraw/zinc/05/52/84/563055284.db2.gz	RCVNXHMFHKGQSG-INWMFGNUSA-N	-1	2	427.394	0.078	1	0		ICAFLM
C[C@@H](O[P@@](=O)([O-])O)[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O	ZINC000028464040	563055283	/nfs/dbraw/zinc/05/52/83/563055283.db2.gz	RCVNXHMFHKGQSG-INWMFGNUSA-N	-1	2	427.394	0.078	1	0		ICAFLM
NC(=O)c1cc([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)ccc1Oc1ccccc1	ZINC000028950597	563069625	/nfs/dbraw/zinc/06/96/25/563069625.db2.gz	IUCIUGXOUIDNQA-VQHPVUNQSA-N	-1	2	425.330	0.849	1	0		ICAFLM
NC(=O)c1cc([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)ccc1Oc1ccccc1	ZINC000028950597	563069624	/nfs/dbraw/zinc/06/96/24/563069624.db2.gz	IUCIUGXOUIDNQA-VQHPVUNQSA-N	-1	2	425.330	0.849	1	0		ICAFLM
Nc1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1	ZINC000029135612	563076278	/nfs/dbraw/zinc/07/62/78/563076278.db2.gz	JRKFLYAHAZHGDS-JPIRQXTESA-N	-1	2	425.334	0.185	1	0		ICAFLM
Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H]3O[C@@H](Cc4ccccc4)O[C@H]32)c(=O)n1	ZINC000029135612	563076277	/nfs/dbraw/zinc/07/62/77/563076277.db2.gz	JRKFLYAHAZHGDS-JPIRQXTESA-N	-1	2	425.334	0.185	1	0		ICAFLM
O=C([O-])CN1c2ccccc2S(=O)(=O)C[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029323526	563077929	/nfs/dbraw/zinc/07/79/29/563077929.db2.gz	FPASGSJUMIMYAZ-HOTGVXAUSA-N	-1	2	446.481	0.936	1	0		ICAFLM
O=C([O-])CN1c2ccccc2S(=O)(=O)C[C@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029323531	563077893	/nfs/dbraw/zinc/07/78/93/563077893.db2.gz	FPASGSJUMIMYAZ-CVEARBPZSA-N	-1	2	446.481	0.936	1	0		ICAFLM
O=C([O-])[C@H]1O[C@@H](Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)[C@H](O)[C@@H](O)[C@H]1O	ZINC000033830165	291317089	/nfs/dbraw/zinc/31/70/89/291317089.db2.gz	IDRSJGHHZXBATQ-KWLWEVDOSA-N	-1	2	430.365	0.437	1	0	biogenic,in-vitro	ICAFLM
O=C([O-])[C@H]1O[C@@H](Oc2c(O)cc3oc(-c4ccccc4)cc(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033833796	291316676	/nfs/dbraw/zinc/31/66/76/291316676.db2.gz	OJLSRRUAFRVUSN-BHWDSYMASA-N	-1	2	446.364	0.142	1	0	biogenic,in-vitro	ICAFLM
O=C([O-])[C@H]1O[C@@H](Oc2c(=O)cc3oc(-c4ccccc4)cc(O)c-3c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033833796	291316673	/nfs/dbraw/zinc/31/66/73/291316673.db2.gz	OJLSRRUAFRVUSN-BHWDSYMASA-N	-1	2	446.364	0.142	1	0	biogenic,in-vitro	ICAFLM
CCCCSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000039034335	563098696	/nfs/dbraw/zinc/09/86/96/563098696.db2.gz	WCMCWROWZKCILA-QYVSTXNMSA-N	-1	2	435.399	0.029	1	0		ICAFLM
CCCCSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000039034335	563098694	/nfs/dbraw/zinc/09/86/94/563098694.db2.gz	WCMCWROWZKCILA-QYVSTXNMSA-N	-1	2	435.399	0.029	1	0		ICAFLM
O=C([O-])[C@H]1O[C@H](Oc2cc(=O)c3c(O)cc(-c4ccc(O)cc4)oc-3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000039339318	291317080	/nfs/dbraw/zinc/31/70/80/291317080.db2.gz	JBFOLLJCGUCDQP-UNJWAJPSSA-N	-1	2	446.364	0.142	1	0	biogenic,in-vitro	ICAFLM
O=C([O-])[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000039560294	563099195	/nfs/dbraw/zinc/09/91/95/563099195.db2.gz	YFWMSXQNCPRTKO-ZUGPOPFOSA-N	-1	2	446.364	0.142	1	0		ICAFLM
O=C([O-])[C@H]1O[C@@H](Oc2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000039560294	563099194	/nfs/dbraw/zinc/09/91/94/563099194.db2.gz	YFWMSXQNCPRTKO-ZUGPOPFOSA-N	-1	2	446.364	0.142	1	0		ICAFLM
C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@H]1O)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)O[P@](=O)([O-])O	ZINC000040505212	563104297	/nfs/dbraw/zinc/10/42/97/563104297.db2.gz	JIAYUFWCNLGCTK-JZCXHOBTSA-N	-1	2	446.389	0.026	1	0		ICAFLM
C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@H]1O)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)O[P@@](=O)([O-])O	ZINC000040505212	563104296	/nfs/dbraw/zinc/10/42/96/563104296.db2.gz	JIAYUFWCNLGCTK-JZCXHOBTSA-N	-1	2	446.389	0.026	1	0		ICAFLM
C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@@H]1O)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)O[P@](=O)([O-])O	ZINC000040505216	563104282	/nfs/dbraw/zinc/10/42/82/563104282.db2.gz	JIAYUFWCNLGCTK-DRBLHXGMSA-N	-1	2	446.389	0.026	1	0		ICAFLM
C[C@@](O)(/C=C/[C@@H]1OC(=O)C=C[C@@H]1O)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)O[P@@](=O)([O-])O	ZINC000040505216	563104280	/nfs/dbraw/zinc/10/42/80/563104280.db2.gz	JIAYUFWCNLGCTK-DRBLHXGMSA-N	-1	2	446.389	0.026	1	0		ICAFLM
C[C@@](O)(/C=C/COC(=O)/C=C\CO)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)O[P@](=O)([O-])O	ZINC000040505324	563104227	/nfs/dbraw/zinc/10/42/27/563104227.db2.gz	YDLACQOBCBZLNY-LKNQHHCGSA-N	-1	2	448.405	0.275	1	0		ICAFLM
C[C@@](O)(/C=C/COC(=O)/C=C\CO)[C@@H](C[C@@H](O)/C=C\C=C/C=C/CO)O[P@@](=O)([O-])O	ZINC000040505324	563104225	/nfs/dbraw/zinc/10/42/25/563104225.db2.gz	YDLACQOBCBZLNY-LKNQHHCGSA-N	-1	2	448.405	0.275	1	0		ICAFLM
Nc1nc(SC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000045291362	563128865	/nfs/dbraw/zinc/12/88/65/563128865.db2.gz	CMKRVBWWVUTJQF-IDTAVKCVSA-N	-1	2	447.410	0.172	1	0		ICAFLM
Nc1nc(SC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000045291362	563128864	/nfs/dbraw/zinc/12/88/64/563128864.db2.gz	CMKRVBWWVUTJQF-IDTAVKCVSA-N	-1	2	447.410	0.172	1	0		ICAFLM
CCCCSc1nc2c(ncnc2N)n1[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049017120	563135411	/nfs/dbraw/zinc/13/54/11/563135411.db2.gz	VFLYSLPYKLFYSL-HMMKDHSLSA-N	-1	2	435.399	0.029	1	0		ICAFLM
CCCCSc1nc2c(ncnc2N)n1[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049017120	563135410	/nfs/dbraw/zinc/13/54/10/563135410.db2.gz	VFLYSLPYKLFYSL-HMMKDHSLSA-N	-1	2	435.399	0.029	1	0		ICAFLM
CCCCSc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000049021149	563135660	/nfs/dbraw/zinc/13/56/60/563135660.db2.gz	WCMCWROWZKCILA-HMMKDHSLSA-N	-1	2	435.399	0.029	1	0		ICAFLM
CCCCSc1nc2c(ncn2[C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000049021149	563135659	/nfs/dbraw/zinc/13/56/59/563135659.db2.gz	WCMCWROWZKCILA-HMMKDHSLSA-N	-1	2	435.399	0.029	1	0		ICAFLM
CCCCCSc1nc2c(ncnc2N)n1[C@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049113859	563138690	/nfs/dbraw/zinc/13/86/90/563138690.db2.gz	QMDINZFRFHLCFO-PYUPQCDSSA-N	-1	2	449.426	0.419	1	0		ICAFLM
CCCCCSc1nc2c(ncnc2N)n1[C@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049113859	563138689	/nfs/dbraw/zinc/13/86/89/563138689.db2.gz	QMDINZFRFHLCFO-PYUPQCDSSA-N	-1	2	449.426	0.419	1	0		ICAFLM
CCCCCSc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049113862	563138683	/nfs/dbraw/zinc/13/86/83/563138683.db2.gz	QMDINZFRFHLCFO-IDTAVKCVSA-N	-1	2	449.426	0.419	1	0		ICAFLM
CCCCCSc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049113862	563138682	/nfs/dbraw/zinc/13/86/82/563138682.db2.gz	QMDINZFRFHLCFO-IDTAVKCVSA-N	-1	2	449.426	0.419	1	0		ICAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCCCN1CCCNC1=O	ZINC000066076025	563157484	/nfs/dbraw/zinc/15/74/84/563157484.db2.gz	RIBDYTODEHUADD-INIZCTEOSA-N	-1	2	442.409	0.127	1	0		ICAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCCCN1CCCNC1=O	ZINC000066076025	563157482	/nfs/dbraw/zinc/15/74/82/563157482.db2.gz	RIBDYTODEHUADD-INIZCTEOSA-N	-1	2	442.409	0.127	1	0		ICAFLM
CC(=O)N[C@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCCCN1CCCNC1=O	ZINC000066076105	563157494	/nfs/dbraw/zinc/15/74/94/563157494.db2.gz	RIBDYTODEHUADD-MRXNPFEDSA-N	-1	2	442.409	0.127	1	0		ICAFLM
CC(=O)N[C@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCCCN1CCCNC1=O	ZINC000066076105	563157493	/nfs/dbraw/zinc/15/74/93/563157493.db2.gz	RIBDYTODEHUADD-MRXNPFEDSA-N	-1	2	442.409	0.127	1	0		ICAFLM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3C(F)(F)F)nn2)[C@H](O)[C@@H]1O	ZINC000066076734	563157595	/nfs/dbraw/zinc/15/75/95/563157595.db2.gz	KHFFCSCHHNTMDN-FDYHWXHSSA-N	-1	2	425.256	0.692	1	0		ICAFLM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cc(-c3ccccc3C(F)(F)F)nn2)[C@H](O)[C@@H]1O	ZINC000066076734	563157594	/nfs/dbraw/zinc/15/75/94/563157594.db2.gz	KHFFCSCHHNTMDN-FDYHWXHSSA-N	-1	2	425.256	0.692	1	0		ICAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCCCN1CCCC1=O	ZINC000066098052	563158015	/nfs/dbraw/zinc/15/80/15/563158015.db2.gz	MSNROAGYAFIQJS-INIZCTEOSA-N	-1	2	427.394	0.334	1	0		ICAFLM
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCCCN1CCCC1=O	ZINC000066098052	563158013	/nfs/dbraw/zinc/15/80/13/563158013.db2.gz	MSNROAGYAFIQJS-INIZCTEOSA-N	-1	2	427.394	0.334	1	0		ICAFLM
CCCC(=O)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)NCCN1CCNC1=O	ZINC000066098059	563158032	/nfs/dbraw/zinc/15/80/32/563158032.db2.gz	HHRWSMRQSIBQLU-HNNXBMFYSA-N	-1	2	442.409	0.127	1	0		ICAFLM
CCCC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)NCCN1CCNC1=O	ZINC000066098059	563158030	/nfs/dbraw/zinc/15/80/30/563158030.db2.gz	HHRWSMRQSIBQLU-HNNXBMFYSA-N	-1	2	442.409	0.127	1	0		ICAFLM
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(SCCc2ccccc2)n1	ZINC000071318792	563162161	/nfs/dbraw/zinc/16/21/61/563162161.db2.gz	DKLOPLNHUFXHPV-DTZQCDIJSA-N	-1	2	444.402	0.307	1	0		ICAFLM
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(SCCc2ccccc2)n1	ZINC000071318792	563162159	/nfs/dbraw/zinc/16/21/59/563162159.db2.gz	DKLOPLNHUFXHPV-DTZQCDIJSA-N	-1	2	444.402	0.307	1	0		ICAFLM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)[C@H](O)[C@@H]1O	ZINC000095555027	563181190	/nfs/dbraw/zinc/18/11/90/563181190.db2.gz	YSXGYHSLWDFGDS-IDTAVKCVSA-N	-1	2	449.788	0.563	1	0		ICAFLM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)[C@H](O)[C@@H]1O	ZINC000095555027	563181188	/nfs/dbraw/zinc/18/11/88/563181188.db2.gz	YSXGYHSLWDFGDS-IDTAVKCVSA-N	-1	2	449.788	0.563	1	0		ICAFLM
O=C([O-])[C@@H]1O[C@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095909568	291316700	/nfs/dbraw/zinc/31/67/00/291316700.db2.gz	NKRGFKAFZUDVES-YRIDSSQKSA-N	-1	2	446.364	0.142	1	0	biogenic,in-vitro	ICAFLM
O=C([O-])[C@@H]1O[C@H](Oc2ccc(-c3cc(O)c4c(=O)cc(O)cc-4o3)cc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095909568	291316697	/nfs/dbraw/zinc/31/66/97/291316697.db2.gz	NKRGFKAFZUDVES-YRIDSSQKSA-N	-1	2	446.364	0.142	1	0	biogenic,in-vitro	ICAFLM