smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)O[P@](=O)([O-])COCCn1cnc2c1ncnc2N	ZINC000005835367	181287908	/nfs/dbraw/zinc/28/79/08/181287908.db2.gz	DYKCTINXPZMOEN-UHFFFAOYSA-N	-1	0	315.270	0.993	1	0		DCAFRM
CC(=O)N[C@@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccccc1	ZINC000026500303	182443957	/nfs/dbraw/zinc/44/39/57/182443957.db2.gz	VFEJYWLSTGECQR-JTQLQIEISA-N	-1	0	317.267	0.444	1	0		DCAFRM
O=[P@]1([O-])OC[C@H]2O[C@H](n3cc4ccccc4n3)[C@H](O)[C@@H]2O1	ZINC000027519244	182474135	/nfs/dbraw/zinc/47/41/35/182474135.db2.gz	ZOTGEJJNOKMVIN-KKOKHZNYSA-N	-1	0	312.218	0.810	1	0		DCAFRM
[NH3+][C@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)[O-]	ZINC000050027284	574414947	/nfs/dbraw/zinc/41/49/47/574414947.db2.gz	IQMIOSLWXYYPIU-ZYHUDNBSSA-N	-1	0	319.317	0.082	1	0	endogenous,in-vitro	DCAFRM
CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)[O-])O[C@H]1CNc1ccccc1	ZINC000095581334	185381318	/nfs/dbraw/zinc/38/13/18/185381318.db2.gz	YOWRLPKCLMIXCA-FPMFFAJLSA-N	-1	0	306.318	0.331	1	0		DCAFRM
CCO[P@](=O)([O-])COCCn1cnc2c1ncnc2N	ZINC000005845020	181288970	/nfs/dbraw/zinc/28/89/70/181288970.db2.gz	MRBIAWVMKIZTRX-UHFFFAOYSA-N	-1	0	301.243	0.605	1	0		DCAFRM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(F)c1	ZINC000013835279	181905128	/nfs/dbraw/zinc/90/51/28/181905128.db2.gz	CCNJWGZVQPLHOE-UHFFFAOYSA-N	-1	0	322.261	0.735	1	0		DCAFRM
O=C([O-])[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n1c23	ZINC000003792256	181045790	/nfs/dbraw/zinc/04/57/90/181045790.db2.gz	JUEKDUJEUMKGKJ-ZETCQYMHSA-N	-1	0	311.091	0.634	1	0		DCAFRM
O=[P@]1([O-])OC[C@@H]2O[C@@H](n3cc4ccccc4n3)[C@H](O)[C@@H]2O1	ZINC000040496686	183081260	/nfs/dbraw/zinc/08/12/60/183081260.db2.gz	ZOTGEJJNOKMVIN-IRCOFANPSA-N	-1	0	312.218	0.810	1	0		DCAFRM
CN(CC(N)=O)C(=O)c1[nH]c(-c2ccccc2)nc1C(=O)[O-]	ZINC000058626952	184125695	/nfs/dbraw/zinc/12/56/95/184125695.db2.gz	IKAWXRIWROBKBL-UHFFFAOYSA-N	-1	0	302.290	0.332	1	0	in-vitro	DCAFRM
[NH3+][C@@H](CCC(=O)[O-])C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000100386641	571806052	/nfs/dbraw/zinc/80/60/52/571806052.db2.gz	SCAODUGVDMRRCV-JTQLQIEISA-N	-1	0	310.306	0.528	1	0	endogenous,in-vitro	DCAFRM
CC[C@H](C[P@@](=O)([O-])O)OCCn1cnc2c1ncnc2N	ZINC000072175841	191071525	/nfs/dbraw/zinc/07/15/25/191071525.db2.gz	WCQVFDLLFVDKQO-MRVPVSSYSA-N	-1	0	315.270	0.381	1	0		DCAFRM
NS(=O)(=O)c1cc2c(s1)S[C@H](CC(=O)[O-])C(=O)N2	ZINC000003806492	181046184	/nfs/dbraw/zinc/04/61/84/181046184.db2.gz	AXDJORCIGPLOSD-SCSAIBSYSA-N	-1	0	308.362	0.283	1	0		DCAFRM
COc1ccc(C(=O)Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1	ZINC000004340208	181100045	/nfs/dbraw/zinc/10/00/45/181100045.db2.gz	PXSDUWTWRSPGGV-UHFFFAOYSA-N	-1	0	304.302	0.935	3	0		DCAFRM
CO[P@@](=O)([O-])OC[C@@H]1C=C[C@H](n2ccc(N)nc2=O)O1	ZINC000006483345	181344219	/nfs/dbraw/zinc/34/42/19/181344219.db2.gz	MMQMEINXHDFGRC-IONNQARKSA-N	-1	0	303.211	0.043	1	0		DCAFRM
CC(C)(C)Cc1onc(OCC(=O)[O-])c1C[C@H]([NH3+])C(=O)[O-]	ZINC000013755635	181890631	/nfs/dbraw/zinc/89/06/31/181890631.db2.gz	PCUIJNKMRRQDSL-QMMMGPOBSA-N	-1	0	300.311	0.681	1	0		DCAFRM
CC(=O)Nc1ccc2c(c1)c(=O)n1nc(C(=O)[O-])cc1n2C	ZINC000027848377	182492400	/nfs/dbraw/zinc/49/24/00/182492400.db2.gz	HGVPXZNXBMGSNX-UHFFFAOYSA-N	-1	0	300.274	0.843	1	0		DCAFRM
O=C1OC(=CCn2cc(-c3ccco3)c(=O)[nH]c2=O)C([O-])=C1O	ZINC000028642921	182532642	/nfs/dbraw/zinc/53/26/42/182532642.db2.gz	BIUWSYRKKGIOQC-OQFOIZHKSA-N	-1	0	318.241	0.565	1	0		DCAFRM
O=C([O-])[C@H]1CN([C@H](c2ccccc2)[P@](=O)([O-])O)CC[NH2+]1	ZINC000095614269	185382635	/nfs/dbraw/zinc/38/26/35/185382635.db2.gz	IQVRRMXXZQMFLA-MNOVXSKESA-N	-1	0	300.251	0.221	1	0		DCAFRM
O=C([O-])C=CC(=O)Nn1c(=O)[nH]nc1Cc1ccc(Cl)cc1	ZINC000073277713	191300507	/nfs/dbraw/zinc/30/05/07/191300507.db2.gz	AKAQPUPIWXZUEM-WAYWQWQTSA-N	-1	0	322.708	0.527	1	0		DCAFRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2	ZINC000013153668	181834521	/nfs/dbraw/zinc/83/45/21/181834521.db2.gz	NHKZEKPKHWHYRD-XCCSTKFXSA-N	-1	0	317.297	0.686	1	0		DCAFRM
COC(=O)C[C@H]1CC(C(=O)[O-])=C[C@@H](OC(C)C)[C@@H]1NC(C)=O	ZINC000013860569	181907206	/nfs/dbraw/zinc/90/72/06/181907206.db2.gz	MVNZFISNRKXZSZ-MPKXVKKWSA-N	-1	0	313.350	0.879	1	0		DCAFRM
COC(=O)C1(C(=O)OC)c2ccc(Cl)cc2N[C@H]1C(=O)[O-]	ZINC000029396197	182563844	/nfs/dbraw/zinc/56/38/44/182563844.db2.gz	VXZJIZLQVZWRTK-VIFPVBQESA-N	-1	0	313.693	0.803	1	0		DCAFRM
C[P@@](=O)([O-])OC[C@@H]1C=C[C@H](n2cnc3c2ncnc3N)O1	ZINC000005930242	181296985	/nfs/dbraw/zinc/29/69/85/181296985.db2.gz	LXUHXEUEFATWDU-JGVFFNPUSA-N	-1	0	311.238	0.694	1	0		DCAFRM
Cc1cn([C@@H]2C=C[C@@H](CO[P@](=O)([O-])CF)O2)c(=O)[nH]c1=O	ZINC000029244925	519103732	/nfs/dbraw/zinc/10/37/32/519103732.db2.gz	BYXIFUYWUBDGTN-IUCAKERBSA-N	-1	0	320.213	0.428	1	0		DCAFRM
O=[P@]1([O-])OC[C@H]2O[C@H](n3ncc4ccccc43)[C@@H](O)[C@@H]2O1	ZINC000027520710	182474185	/nfs/dbraw/zinc/47/41/85/182474185.db2.gz	LLARZPIXBXTOMW-KXNHARMFSA-N	-1	0	312.218	0.810	1	0		DCAFRM
O=C([O-])[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n1c23	ZINC000004626934	181130799	/nfs/dbraw/zinc/13/07/99/181130799.db2.gz	JUEKDUJEUMKGKJ-SSDOTTSWSA-N	-1	0	311.091	0.634	1	0		DCAFRM
CCO[P@](=O)([O-])COCCn1cnc2c1nc(N)nc2N	ZINC000005884356	181293101	/nfs/dbraw/zinc/29/31/01/181293101.db2.gz	LLSGNYUJSJIMGE-UHFFFAOYSA-N	-1	0	316.258	0.187	1	0		DCAFRM
[NH3+][C@]1(C(=O)[O-])[C@H]2[C@@H](C[C@H]1OCc1ccccc1)[C@]2(F)C(=O)[O-]	ZINC000013582132	181864743	/nfs/dbraw/zinc/86/47/43/181864743.db2.gz	FHUJXFRDZNFBOI-ZNLHFFCSSA-N	-1	0	309.293	0.797	1	0		DCAFRM
O=C([O-])[C@H](Cc1ccccc1)[NH2+]CCN1CCC[C@H]1C(=O)[O-]	ZINC000022039165	182305627	/nfs/dbraw/zinc/30/56/27/182305627.db2.gz	AIQRRBZICYVCTC-KBPBESRZSA-N	-1	0	306.362	0.821	1	0		DCAFRM
CC(C)N(CCCC(=O)[O-])C(=O)N1C[C@H]([NH3+])[C@H](C(=O)[O-])C1	ZINC000028223792	182512355	/nfs/dbraw/zinc/51/23/55/182512355.db2.gz	JUAYSCHGXJCZSP-ZJUUUORDSA-N	-1	0	301.343	0.025	1	0		DCAFRM
Nc1nc2c(ncn2/C=C2\C[C@@]23CC[P@](=O)([O-])OC3)c(=O)[nH]1	ZINC000095543685	185379354	/nfs/dbraw/zinc/37/93/54/185379354.db2.gz	JFCZPOQIPQOUOE-RPTYSRGTSA-N	-1	0	323.249	0.539	1	0		DCAFRM
Nc1nc2c(ncn2/C=C2/C[C@@]23CC[P@](=O)([O-])OC3)c(=O)[nH]1	ZINC000043014663	183327897	/nfs/dbraw/zinc/32/78/97/183327897.db2.gz	JFCZPOQIPQOUOE-DJFZKKHWSA-N	-1	0	323.249	0.539	1	0		DCAFRM
CCc1cc(=O)oc2nc(OCc3ccnnc3)[n-]c(=O)c12	ZINC000073224797	191296159	/nfs/dbraw/zinc/29/61/59/191296159.db2.gz	XVNFZONKMSTWIZ-UHFFFAOYSA-N	-1	0	300.274	0.808	1	0		DCAFRM
NC(=O)C[C@@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100386118	574417459	/nfs/dbraw/zinc/41/74/59/574417459.db2.gz	WYQLPXGICTVBSV-SNVBAGLBSA-N	-1	0	318.333	0.314	1	0	endogenous,in-vitro	DCAFRM
O=C([O-])C1=CS[C@@H]2/C(=C\c3cc4n(n3)CCOC4)C(=O)N12	ZINC000003819351	181046715	/nfs/dbraw/zinc/04/67/15/181046715.db2.gz	DWYDARUUOLMALM-TWLAMCEISA-N	-1	0	305.315	0.638	1	0		DCAFRM
CC(C)NC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000028253249	182517680	/nfs/dbraw/zinc/51/76/80/182517680.db2.gz	IXSDFVYGBKYFPZ-BKPPORCPSA-N	-1	0	301.368	0.210	1	0		DCAFRM
Nc1nc2c(ncn2/C=C2/C[C@]23CC[P@](=O)([O-])OC3)c(=O)[nH]1	ZINC000043014667	183327496	/nfs/dbraw/zinc/32/74/96/183327496.db2.gz	JFCZPOQIPQOUOE-KMSCOEIWSA-N	-1	0	323.249	0.539	1	0		DCAFRM
Nc1nc2c(c(=S)[nH]1)NCN2CCOC[P@@](=O)([O-])O	ZINC000042923185	183319173	/nfs/dbraw/zinc/31/91/73/183319173.db2.gz	FMFSJYMYNWKBLN-UHFFFAOYSA-N	-1	0	307.272	0.063	1	0		DCAFRM
Nc1nc(-c2cnccn2)c(I)c(=O)[n-]1	ZINC000003653724	181044479	/nfs/dbraw/zinc/04/44/79/181044479.db2.gz	SBCQOAWQLURFQL-UHFFFAOYSA-N	-1	0	315.074	0.414	1	0		DCAFRM
O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1[O-])CCC2	ZINC000003842372	181047629	/nfs/dbraw/zinc/04/76/29/181047629.db2.gz	XHEKDFUSKMFJIZ-UHFFFAOYSA-N	-1	0	303.293	0.964	1	0		DCAFRM
C[C@@H]1O[C@@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004580785	181126818	/nfs/dbraw/zinc/12/68/18/181126818.db2.gz	IOBCYGJFFBZLHE-LNOLMHQLSA-N	-1	0	317.725	0.278	2	0		DCAFRM
CC(C)(C)OC(=O)N1CCC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)[O-]	ZINC000013781317	181895472	/nfs/dbraw/zinc/89/54/72/181895472.db2.gz	OMFDAOFMLWHMNV-SFYZADRCSA-N	-1	0	306.340	0.400	1	0		DCAFRM
CS[C@]1(CO)C(=O)N2c3c(cccc3O)C[C@@H]2C(=O)N1C	ZINC000206487467	560041546	/nfs/dbraw/zinc/04/15/46/560041546.db2.gz	HLTTVBPDCRSKFJ-YMTOWFKASA-N	-1	0	308.359	0.174	1	0	biogenic,in-vitro	DCAFRM
COc1cc(OC)nc([N-]S(=O)(=O)[C@H]2CCCCC2=O)n1	ZINC000040896098	183147201	/nfs/dbraw/zinc/14/72/01/183147201.db2.gz	LPJLEDUJPUEQTA-VIFPVBQESA-N	-1	0	315.351	0.747	1	0		DCAFRM
CC[C@@H](Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-]	ZINC000004960340	181179782	/nfs/dbraw/zinc/17/97/82/181179782.db2.gz	YXQMHOGGZFYKPI-SSDOTTSWSA-N	-1	0	324.362	0.291	1	0		DCAFRM
CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000005496969	181250124	/nfs/dbraw/zinc/25/01/24/181250124.db2.gz	LWLBKAXKNGTFAY-GBIKHYSHSA-N	-1	0	320.370	0.932	1	0		DCAFRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC(=O)N1CCSCC1	ZINC000028820191	182540447	/nfs/dbraw/zinc/54/04/47/182540447.db2.gz	PQDYUVRGMVPVMH-RGOKHQFPSA-N	-1	0	314.363	0.150	1	0		DCAFRM
Cn1cc([C@H](O)[C@H]2C(=O)N3C(C(=O)[O-])=C(C(C)(C)C)O[C@@H]23)nn1	ZINC000026287233	182435570	/nfs/dbraw/zinc/43/55/70/182435570.db2.gz	SSWFAXDWVYORQF-DXBFQKDVSA-N	-1	0	322.321	0.006	1	0		DCAFRM
CC(C)(CS(=O)(=O)CCS(=O)(=O)[O-])N(Cl)Cl	ZINC000040872939	183145275	/nfs/dbraw/zinc/14/52/75/183145275.db2.gz	TZBSDEBLISKXFE-UHFFFAOYSA-N	-1	0	314.212	0.677	1	0		DCAFRM
O=[P@@]1([O-])OC[C@H]2O[C@@H](n3nc4ccccc4n3)[C@H](O)[C@@H]2O1	ZINC000038927409	183012949	/nfs/dbraw/zinc/01/29/49/183012949.db2.gz	OWWPIPMYEXKCJU-GWOFURMSSA-N	-1	0	313.206	0.205	1	0		DCAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C([C@H](O)C3CCCC3)[C@H](C)[C@H]12	ZINC000003952307	181059020	/nfs/dbraw/zinc/05/90/20/181059020.db2.gz	RXZMSHHTYLYWEZ-QRYOMYBISA-N	-1	0	309.362	0.734	1	0		DCAFRM
[NH3+][C@H](Cc1c(C(=O)[O-])on(Cc2ccccc2)c1=O)C(=O)[O-]	ZINC000013835708	181905273	/nfs/dbraw/zinc/90/52/73/181905273.db2.gz	HCLXUMRJOZWWOS-SNVBAGLBSA-N	-1	0	306.274	0.142	1	0		DCAFRM
CC(C)N(CCCCC(=O)[O-])C(=O)N1C[C@@H]([NH3+])[C@@H](C(=O)[O-])C1	ZINC000013862537	181907650	/nfs/dbraw/zinc/90/76/50/181907650.db2.gz	YUKRHGUNODFUCU-WDEREUQCSA-N	-1	0	315.370	0.415	1	0		DCAFRM
O=[P@@]1([O-])OC[C@H]2O[C@@H](n3cc4ccccc4n3)[C@H](O)[C@@H]2O1	ZINC000038539611	183001782	/nfs/dbraw/zinc/00/17/82/183001782.db2.gz	ZOTGEJJNOKMVIN-DDHJBXDOSA-N	-1	0	312.218	0.810	1	0		DCAFRM
CC(=O)N/C=C/SC1=C(C(=O)[O-])N2C(=O)[C@H]([C@H](C)O)[C@@H]2C1	ZINC000014766038	560225957	/nfs/dbraw/zinc/22/59/57/560225957.db2.gz	PRPNUZWHFGSGRV-FDNUQNFUSA-N	-1	0	312.347	0.235	1	0	in-vitro	DCAFRM
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000100388467	574418313	/nfs/dbraw/zinc/41/83/13/574418313.db2.gz	VCSFIWQVMPSYEW-JTQLQIEISA-N	-1	0	319.317	0.914	1	0	endogenous,in-vitro	DCAFRM
C[P@](=O)([O-])CNC(=O)CNC(=O)OCc1ccccc1	ZINC000038259170	182996571	/nfs/dbraw/zinc/99/65/71/182996571.db2.gz	NOXICBSZNGUENH-UHFFFAOYSA-N	-1	0	300.251	0.887	1	0		DCAFRM
O=C([O-])c1ccc(-n2nc3c(=O)[nH]c4ncccc4n3c2=O)cc1	ZINC000040405589	183062145	/nfs/dbraw/zinc/06/21/45/183062145.db2.gz	SAMSJXVNHJSHGW-UHFFFAOYSA-N	-1	0	323.268	0.832	1	0		DCAFRM
COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[n-]c2=O)cc1	ZINC000004791477	181152389	/nfs/dbraw/zinc/15/23/89/181152389.db2.gz	QMUALMJMQXNBIA-LSQIQBGYSA-N	-1	0	320.348	0.729	1	0		DCAFRM
[NH3+][C@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)[O-]	ZINC000034005000	574414150	/nfs/dbraw/zinc/41/41/50/574414150.db2.gz	IQMIOSLWXYYPIU-PWSUYJOCSA-N	-1	0	319.317	0.082	1	0	endogenous,in-vitro	DCAFRM
NC(=O)c1ncc(C(=O)NCc2ccc(F)cc2)c(O)c1[O-]	ZINC000095556631	185379837	/nfs/dbraw/zinc/37/98/37/185379837.db2.gz	FAGVZRREMQKAAQ-UHFFFAOYSA-N	-1	0	305.265	0.249	1	0		DCAFRM
O=C([O-])CCC[C@]1(O)O[C@@]2(CCCC2=O)[C@]2(O)CCC[C@]12O	ZINC000005839671	181288320	/nfs/dbraw/zinc/28/83/20/181288320.db2.gz	JDWHEOLBWSWHFS-TUVASFSCSA-N	-1	0	314.334	0.098	1	0		DCAFRM
O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@@H]21)c1ccccn1	ZINC000058566174	184122959	/nfs/dbraw/zinc/12/29/59/184122959.db2.gz	UOHVZYYJHRCWBD-BISCAEAHSA-N	-1	0	309.325	0.780	1	0		DCAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C3[C@H](CCC[C@@H]3OCCF)[C@H]12	ZINC000003782860	181045763	/nfs/dbraw/zinc/04/57/63/181045763.db2.gz	VQDNEOPASVTVRZ-KZFLBEFCSA-N	-1	0	313.325	0.701	1	0		DCAFRM
CCCOc1ccc(N)cc1-c1ncc(-c2nnn[n-]2)c(=O)[nH]1	ZINC000039291404	183016340	/nfs/dbraw/zinc/01/63/40/183016340.db2.gz	ZXWFWNPZBJUFHU-UHFFFAOYSA-N	-1	0	313.321	0.988	1	0		DCAFRM
CCn1c2ccccc2n2cc(C(=O)Nc3nnn[n-]3)nc2c1=O	ZINC000040465236	183071781	/nfs/dbraw/zinc/07/17/81/183071781.db2.gz	LWVCDRMGIVONDW-UHFFFAOYSA-N	-1	0	324.304	0.435	1	0		DCAFRM
COCCn1[n-]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O	ZINC000064436454	184296440	/nfs/dbraw/zinc/29/64/40/184296440.db2.gz	FKAKWDOGKQHZKQ-UHFFFAOYSA-N	-1	0	314.345	0.889	1	0		DCAFRM
COC(=O)[C@@]1(O)c2c([O-])c3c(=O)cccc-3oc2C=C[C@H]1O	ZINC000015258121	560229757	/nfs/dbraw/zinc/22/97/57/560229757.db2.gz	HEFOWMGZUBJFBY-BMIGLBTASA-N	-1	0	304.254	0.247	3	0	in-vitro	DCAFRM
[NH3+][C@H](Cc1c(OCC(=O)[O-])noc1-c1cccs1)C(=O)[O-]	ZINC000013755639	181890620	/nfs/dbraw/zinc/89/06/20/181890620.db2.gz	CWHZBYXJYJKQAZ-SSDOTTSWSA-N	-1	0	312.303	0.821	1	0		DCAFRM
CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)[O-])cn2C	ZINC000003913607	181057993	/nfs/dbraw/zinc/05/79/93/181057993.db2.gz	QSHGPEBSXTVNLL-UHFFFAOYSA-N	-1	0	310.331	0.487	1	0		DCAFRM
O=C([O-])[C@@H]1CN(Cc2ccccc2C[P@](=O)([O-])O)CC[NH2+]1	ZINC000022934018	182341710	/nfs/dbraw/zinc/34/17/10/182341710.db2.gz	RJZGZYKOSAHEEF-LBPRGKRZSA-N	-1	0	314.278	0.223	1	0		DCAFRM
CC(C)NC(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000028253236	182517070	/nfs/dbraw/zinc/51/70/70/182517070.db2.gz	IXSDFVYGBKYFPZ-FJXKBIBVSA-N	-1	0	301.368	0.210	1	0		DCAFRM
COc1cc(OC)nc([N-]S(=O)(=O)[C@@H]2CCCCC2=O)n1	ZINC000040896095	183147224	/nfs/dbraw/zinc/14/72/24/183147224.db2.gz	LPJLEDUJPUEQTA-SECBINFHSA-N	-1	0	315.351	0.747	1	0		DCAFRM
O=[P@@]1([O-])OC[C@H]2O[C@H](n3cc4ccccc4n3)[C@@H](O)[C@@H]2O1	ZINC000058508345	184120974	/nfs/dbraw/zinc/12/09/74/184120974.db2.gz	ZOTGEJJNOKMVIN-KXNHARMFSA-N	-1	0	312.218	0.810	1	0		DCAFRM
O=c1[nH]cnc2c1ncn2COCCCC[P@](=O)([O-])O	ZINC000073198208	191291170	/nfs/dbraw/zinc/29/11/70/191291170.db2.gz	GXPZLPCUNHRXRF-UHFFFAOYSA-N	-1	0	302.227	0.052	1	0		DCAFRM
Cn1ccn2c1nc(C(=O)NCc1ccc(F)cc1)c([O-])c2=O	ZINC000064539665	184299112	/nfs/dbraw/zinc/29/91/12/184299112.db2.gz	UDYIAZORXJZVIL-UHFFFAOYSA-N	-1	0	316.292	0.808	1	0		DCAFRM
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069488292	574416331	/nfs/dbraw/zinc/41/63/31/574416331.db2.gz	ODUHJCCSDGRGKG-SNVBAGLBSA-N	-1	0	310.306	0.528	1	0	endogenous,in-vitro	DCAFRM
O=c1[nH]c2c(n3ccnc13)Cc1cc(S(=O)(=O)[O-])ccc1-2	ZINC000001886379	180900903	/nfs/dbraw/zinc/90/09/03/180900903.db2.gz	YNXUXWRBCBETPI-UHFFFAOYSA-N	-1	0	303.299	0.841	1	0		DCAFRM
Nc1nc2c(ncn2CCCCCC[P@@](=O)([O-])O)c(=O)[nH]1	ZINC000082150634	192361783	/nfs/dbraw/zinc/36/17/83/192361783.db2.gz	CULYTKHWSUTBGY-UHFFFAOYSA-N	-1	0	315.270	0.440	1	0	in-vitro	DCAFRM
O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCCCN1CCOCC1	ZINC000013116579	181829088	/nfs/dbraw/zinc/82/90/88/181829088.db2.gz	FIWQFRKYOLVSGR-ZOBORPQBSA-N	-1	0	308.378	0.348	1	0		DCAFRM
O=c1[nH]cnc2c1ncn2CCCCCC[P@](=O)([O-])O	ZINC000073198578	191291260	/nfs/dbraw/zinc/29/12/60/191291260.db2.gz	OIDUMCMZUUCAQM-UHFFFAOYSA-N	-1	0	300.255	0.858	1	0		DCAFRM
C[S@@](=O)c1c(Cl)cc(-n2ncc(=O)[n-]c2=O)cc1Cl	ZINC000028764139	182537891	/nfs/dbraw/zinc/53/78/91/182537891.db2.gz	FVHHXOZFIRKERT-IBGZPJMESA-N	-1	0	320.157	0.965	1	0		DCAFRM
CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)CC(=O)[O-]	ZINC000003874327	181050608	/nfs/dbraw/zinc/05/06/08/181050608.db2.gz	KBIWEWPGBHKYML-RYUDHWBXSA-N	-1	0	316.398	0.515	1	0	in-vivo	DCAFRM
O=C([O-])[C@H]1CN(Cc2ccccc2C[P@](=O)([O-])O)CC[NH2+]1	ZINC000022934021	182342044	/nfs/dbraw/zinc/34/20/44/182342044.db2.gz	RJZGZYKOSAHEEF-GFCCVEGCSA-N	-1	0	314.278	0.223	1	0		DCAFRM
CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1O[C@@H]1C(=O)[O-]	ZINC000095553105	185379387	/nfs/dbraw/zinc/37/93/87/185379387.db2.gz	DJHIVIQSMCOHCV-AXFHLTTASA-N	-1	0	300.355	0.142	1	0		DCAFRM
C[C@@H](O)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C	ZINC000066259729	184399226	/nfs/dbraw/zinc/39/92/26/184399226.db2.gz	WKMBFPKAOMQXOR-SWHYSGLUSA-N	-1	0	318.373	0.826	1	0		DCAFRM
Cc1cn([C@@H]2C=C[C@H](CO[P@](=O)([O-])CF)O2)c(=O)[nH]c1=O	ZINC000029244913	190656060	/nfs/dbraw/zinc/65/60/60/190656060.db2.gz	BYXIFUYWUBDGTN-BDAKNGLRSA-N	-1	0	320.213	0.428	1	0		DCAFRM
CC1=CC(=O)N(N=c2ncc(C(N)=O)c(C(F)(F)F)[n-]2)C1=O	ZINC000013818178	181901364	/nfs/dbraw/zinc/90/13/64/181901364.db2.gz	FPRQMNKFWWHTQN-UHFFFAOYSA-N	-1	0	315.211	0.236	1	0		DCAFRM
O=C([O-])CSc1ccc(C(=O)N[C@H]2CCCCNC2=O)cn1	ZINC000045298398	183496218	/nfs/dbraw/zinc/49/62/18/183496218.db2.gz	PRJMXHXQDULZIP-JTQLQIEISA-N	-1	0	323.374	0.657	1	0		DCAFRM
[NH3+][C@@H](Cc1c(OCC(=O)[O-])noc1-c1ccccc1)C(=O)[O-]	ZINC000013755636	181890876	/nfs/dbraw/zinc/89/08/76/181890876.db2.gz	MHKZTGBXASSDBJ-JTQLQIEISA-N	-1	0	306.274	0.759	1	0		DCAFRM
COc1cc(Nc2s[n-]c(=O)c2C2=NNNN2)cc(OC)c1	ZINC000040565961	183103733	/nfs/dbraw/zinc/10/37/33/183103733.db2.gz	NPFCLSDFKLVLKN-UHFFFAOYSA-N	-1	0	322.350	0.884	1	0		DCAFRM
Cn1ccc2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n21	ZINC000064540384	184299318	/nfs/dbraw/zinc/29/93/18/184299318.db2.gz	RFGDZTYBSXLUDY-UHFFFAOYSA-N	-1	0	316.292	0.808	1	0		DCAFRM
NC(=O)C[C@H](N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100386121	574417463	/nfs/dbraw/zinc/41/74/63/574417463.db2.gz	WYQLPXGICTVBSV-JTQLQIEISA-N	-1	0	318.333	0.314	1	0	endogenous,in-vitro	DCAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(S(=O)(=O)N(C)C)ccc21	ZINC000003913605	181058018	/nfs/dbraw/zinc/05/80/18/181058018.db2.gz	PQHFZVMDVPDWPQ-UHFFFAOYSA-N	-1	0	324.358	0.970	3	0		DCAFRM
CC(C)CC[C@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000013599906	181867065	/nfs/dbraw/zinc/86/70/65/181867065.db2.gz	AXVDQOXRBHQTCS-SRVKXCTJSA-N	-1	0	314.382	0.930	1	0		DCAFRM
O=C(Nc1nnn[n-]1)c1cc(=O)n2c3ccccc3sc2n1	ZINC000027653612	182486048	/nfs/dbraw/zinc/48/60/48/182486048.db2.gz	CSRKHLJMFRNKFP-UHFFFAOYSA-N	-1	0	313.302	0.675	1	0		DCAFRM
CC(C)(C1=CN(CCS(=O)(=O)[O-])NN1)N(Cl)Cl	ZINC000042921567	183317958	/nfs/dbraw/zinc/31/79/58/183317958.db2.gz	JPHYRAJBWBXJMO-UHFFFAOYSA-N	-1	0	305.187	0.429	1	0		DCAFRM
CC[C@H](C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000027643408	182485000	/nfs/dbraw/zinc/48/50/00/182485000.db2.gz	YIXFYBYGKKXNGM-GZMMTYOYSA-N	-1	0	314.363	0.563	1	0		DCAFRM
[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069488294	574416339	/nfs/dbraw/zinc/41/63/39/574416339.db2.gz	ODUHJCCSDGRGKG-JTQLQIEISA-N	-1	0	310.306	0.528	1	0	endogenous,in-vitro	DCAFRM
[NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000100388463	574418311	/nfs/dbraw/zinc/41/83/11/574418311.db2.gz	VCSFIWQVMPSYEW-SNVBAGLBSA-N	-1	0	319.317	0.914	1	0	endogenous,in-vitro	DCAFRM
C[C@H](O)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C	ZINC000066259728	184399353	/nfs/dbraw/zinc/39/93/53/184399353.db2.gz	WKMBFPKAOMQXOR-BPNCWPANSA-N	-1	0	318.373	0.826	1	0		DCAFRM
C[C@H](Cn1cnc2c1nc(F)nc2N)OC[P@@](=O)([O-])O	ZINC000072178449	191070276	/nfs/dbraw/zinc/07/02/76/191070276.db2.gz	UPNIDJCZEOITGV-RXMQYKEDSA-N	-1	0	305.206	0.088	1	0		DCAFRM
Cc1ccccc1O[C@H](C)C(=O)Nn1c(=O)cc([O-])[nH]c1=S	ZINC000006523277	181348584	/nfs/dbraw/zinc/34/85/84/181348584.db2.gz	UHXPGRFLRUYULT-SECBINFHSA-N	-1	0	321.358	0.838	1	0		DCAFRM
[NH3+][C@H](CC(=O)[O-])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000069486575	574415771	/nfs/dbraw/zinc/41/57/71/574415771.db2.gz	OENXQSMWQGKVHG-SNVBAGLBSA-N	-1	0	319.317	0.914	1	0	endogenous,in-vitro	DCAFRM
C[C@H]1O[C@@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004580783	181126597	/nfs/dbraw/zinc/12/65/97/181126597.db2.gz	IOBCYGJFFBZLHE-NWOINBQQSA-N	-1	0	317.725	0.278	2	0		DCAFRM
CC[C@@H](C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)[O-]	ZINC000027643400	182485075	/nfs/dbraw/zinc/48/50/75/182485075.db2.gz	YIXFYBYGKKXNGM-LDYMZIIASA-N	-1	0	314.363	0.563	1	0		DCAFRM
O=C([O-])CN1C(=O)C(=O)N(CCc2ccccc2Cl)C1=O	ZINC000029560358	182570316	/nfs/dbraw/zinc/57/03/16/182570316.db2.gz	CYUKKZZEQCMUSS-UHFFFAOYSA-N	-1	0	310.693	0.758	1	0		DCAFRM
Nc1nc2c(ncn2/C=C2\C[C@]23CC[P@](=O)([O-])OC3)c(=O)[nH]1	ZINC000043122509	183338945	/nfs/dbraw/zinc/33/89/45/183338945.db2.gz	JFCZPOQIPQOUOE-NTYUQYKDSA-N	-1	0	323.249	0.539	1	0		DCAFRM
[NH3+][C@H](CCC(=O)[O-])C(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000100386636	574417699	/nfs/dbraw/zinc/41/76/99/574417699.db2.gz	SCAODUGVDMRRCV-SNVBAGLBSA-N	-1	0	310.306	0.528	1	0	endogenous,in-vitro	DCAFRM
O=C(CNC(=O)OCc1ccccc1)NC[P@](=O)([O-])CO	ZINC000058569136	184122833	/nfs/dbraw/zinc/12/28/33/184122833.db2.gz	KXQKPKWJNCYPEY-UHFFFAOYSA-N	-1	0	316.250	0.207	1	0		DCAFRM
O=C([O-])[C@H]1CN([C@@H](c2ccccc2)[P@](=O)([O-])O)CC[NH2+]1	ZINC000058609140	184125070	/nfs/dbraw/zinc/12/50/70/184125070.db2.gz	IQVRRMXXZQMFLA-GHMZBOCLSA-N	-1	0	300.251	0.221	1	0		DCAFRM
COC(=O)[C@@H]1C[C@H](C(=O)[O-])O[C@H]1[C@H](CC(C)C)NC(C)=O	ZINC000005962783	181301340	/nfs/dbraw/zinc/30/13/40/181301340.db2.gz	MUJPWSPVNZGJOW-WRWGMCAJSA-N	-1	0	301.339	0.569	1	0	in-vivo	DCAFRM
Cc1ccccc1O[C@@H](C)C(=O)Nn1c(=O)cc([O-])[nH]c1=S	ZINC000006523272	181348956	/nfs/dbraw/zinc/34/89/56/181348956.db2.gz	UHXPGRFLRUYULT-VIFPVBQESA-N	-1	0	321.358	0.838	1	0		DCAFRM
O=C([O-])c1nnn2c3ccsc3c(N3CCOCC3)nc12	ZINC000095597664	185382338	/nfs/dbraw/zinc/38/23/38/185382338.db2.gz	SDFHHLYSWYMPNX-UHFFFAOYSA-N	-1	0	305.319	0.874	1	0		DCAFRM
CC[C@@H](C[P@@](=O)([O-])O)OCCn1cnc2c1ncnc2N	ZINC000072175840	191071332	/nfs/dbraw/zinc/07/13/32/191071332.db2.gz	WCQVFDLLFVDKQO-QMMMGPOBSA-N	-1	0	315.270	0.381	1	0		DCAFRM
C[C@@H]1O[C@@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004580787	181126947	/nfs/dbraw/zinc/12/69/47/181126947.db2.gz	IOBCYGJFFBZLHE-VVBYJNJRSA-N	-1	0	317.725	0.278	2	0		DCAFRM
[NH3+][C@@H](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)[O-]	ZINC000050026831	574414875	/nfs/dbraw/zinc/41/48/75/574414875.db2.gz	IQMIOSLWXYYPIU-CMPLNLGQSA-N	-1	0	319.317	0.082	1	0	endogenous,in-vitro	DCAFRM
COC(=O)CC(=O)Nc1cccc2c(=O)cc(C(=O)[O-])oc12	ZINC000096271907	193607931	/nfs/dbraw/zinc/60/79/31/193607931.db2.gz	LAYJYCGUQOCKGQ-UHFFFAOYSA-N	-1	0	305.242	0.993	1	0		DCAFRM
Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](OC[P@@](=O)([O-])O)C1	ZINC000003776212	181045418	/nfs/dbraw/zinc/04/54/18/181045418.db2.gz	XZODRISOVMXWBO-JGVFFNPUSA-N	-1	0	311.238	0.430	1	0		DCAFRM
CC(=O)N/C=C/SC1=C(C(=O)[O-])N2C(=O)[C@@H]([C@H](C)O)[C@@H]2C1	ZINC000014766041	560225963	/nfs/dbraw/zinc/22/59/63/560225963.db2.gz	PRPNUZWHFGSGRV-RPJJZBAWSA-N	-1	0	312.347	0.235	1	0	in-vitro	DCAFRM
O=[P@]1([O-])OC[C@@H]2O[C@@H](n3nnc4ccccc43)[C@H](O)[C@@H]2O1	ZINC000040718925	183123375	/nfs/dbraw/zinc/12/33/75/183123375.db2.gz	HCHQPDVYSBFMNE-LNFKQOIKSA-N	-1	0	313.206	0.205	1	0		DCAFRM
CN1CN(CCCC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C1=O	ZINC000040568240	183103614	/nfs/dbraw/zinc/10/36/14/183103614.db2.gz	WXVUUUNVHHTOIB-ZDUSSCGKSA-N	-1	0	319.361	0.904	1	0		DCAFRM
O=C([O-])c1ccc(OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])cc1	ZINC000045497605	183512703	/nfs/dbraw/zinc/51/27/03/183512703.db2.gz	XRVWTDNCVUDCHB-SECBINFHSA-N	-1	0	302.195	0.549	1	0		DCAFRM
C[C@H]1O[C@@H](Nc2cc(Cl)ccc2C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004580786	181126796	/nfs/dbraw/zinc/12/67/96/181126796.db2.gz	IOBCYGJFFBZLHE-FSVXGXJESA-N	-1	0	317.725	0.278	2	0		DCAFRM
CCO[P@](=O)([O-])COCCn1cnc2c1nc(N)[nH]c2=O	ZINC000006411124	181339479	/nfs/dbraw/zinc/33/94/79/181339479.db2.gz	PERFIQYTXCWMBE-UHFFFAOYSA-N	-1	0	317.242	0.310	1	0		DCAFRM
[NH3+][C@@H](C(=O)[O-])[C@@H]1[C@H](C(=O)[O-])[C@H]1CNC(=O)Nc1ccccc1	ZINC000040896536	183146968	/nfs/dbraw/zinc/14/69/68/183146968.db2.gz	COQOPZFREOMIMJ-UKKRHICBSA-N	-1	0	307.306	0.167	1	0		DCAFRM
[NH3+][C@@H](Cc1cnnn1[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000064573005	184299964	/nfs/dbraw/zinc/29/99/64/184299964.db2.gz	FJZVCFPYOULKEI-RYUDHWBXSA-N	-1	0	304.306	0.101	1	0		DCAFRM
O=[P@]1([O-])OC[C@H]2O[C@@H](n3cc4ccccc4n3)[C@@H](O)[C@@H]2O1	ZINC000027519245	182474100	/nfs/dbraw/zinc/47/41/00/182474100.db2.gz	ZOTGEJJNOKMVIN-WRWGMCAJSA-N	-1	0	312.218	0.810	1	0		DCAFRM
O=[P@]1([O-])OC[C@@H]2O[C@@H](n3ncc4ccccc43)[C@H](O)[C@@H]2O1	ZINC000040498229	183082883	/nfs/dbraw/zinc/08/28/83/183082883.db2.gz	LLARZPIXBXTOMW-IRCOFANPSA-N	-1	0	312.218	0.810	1	0		DCAFRM
CO[P@@](=O)([O-])OC[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O1	ZINC000058558961	184121880	/nfs/dbraw/zinc/12/18/80/184121880.db2.gz	MMQMEINXHDFGRC-CBAPKCEASA-N	-1	0	303.211	0.043	1	0		DCAFRM
CNC(=O)c1ncc(C(=O)NCc2ccc(F)cc2)c(O)c1[O-]	ZINC000095557024	185379782	/nfs/dbraw/zinc/37/97/82/185379782.db2.gz	APWZVVYVUZHKEJ-UHFFFAOYSA-N	-1	0	319.292	0.509	1	0		DCAFRM
O=c1[nH]c2cc(C(F)(F)F)c(-n3cnnc3)cc2c(=O)n1[O-]	ZINC000084759465	192466685	/nfs/dbraw/zinc/46/66/85/192466685.db2.gz	NEBXFVDNEGQGOR-UHFFFAOYSA-N	-1	0	313.195	0.939	1	0		DCAFRM
Nc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(=O)[O-])[C@]2([NH3+])C(=O)[O-])c1	ZINC000013582177	181865189	/nfs/dbraw/zinc/86/51/89/181865189.db2.gz	YTISARNMMVSRDV-ZNLHFFCSSA-N	-1	0	324.308	0.379	1	0		DCAFRM
[NH3+][C@H](Cc1c(OCc2ccccc2)noc1C(=O)[O-])C(=O)[O-]	ZINC000013835701	181905168	/nfs/dbraw/zinc/90/51/68/181905168.db2.gz	HPYZKSSOZWJEFB-SNVBAGLBSA-N	-1	0	306.274	0.906	1	0		DCAFRM
[NH3+][C@@H](CC(=O)[O-])C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000069486576	574415767	/nfs/dbraw/zinc/41/57/67/574415767.db2.gz	OENXQSMWQGKVHG-JTQLQIEISA-N	-1	0	319.317	0.914	1	0	endogenous,in-vitro	DCAFRM
CC(=O)Cc1noc(C2=C([O-])c3ccccc3S(=O)(=O)N2)n1	ZINC000100800804	193804990	/nfs/dbraw/zinc/80/49/90/193804990.db2.gz	NCWDBMVNRAKVHU-UHFFFAOYSA-N	-1	0	321.314	0.877	1	0		DCAFRM
CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000026508591	182444249	/nfs/dbraw/zinc/44/42/49/182444249.db2.gz	LWLBKAXKNGTFAY-GIPNMCIBSA-N	-1	0	320.370	0.932	1	0		DCAFRM
[NH3+][C@@H](C[C@@H](CCC(=O)NCc1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000040934764	183148669	/nfs/dbraw/zinc/14/86/69/183148669.db2.gz	HMSFZCZUJKRFNW-NEPJUHHUSA-N	-1	0	308.334	0.586	1	0		DCAFRM
CC[C@H](Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)[O-]	ZINC000004960338	181179438	/nfs/dbraw/zinc/17/94/38/181179438.db2.gz	YXQMHOGGZFYKPI-ZETCQYMHSA-N	-1	0	324.362	0.291	1	0		DCAFRM
O=[P@]1([O-])OC[C@@H]2O[C@@H](n3nc4ccccc4n3)[C@H](O)[C@@H]2O1	ZINC000040496674	183081178	/nfs/dbraw/zinc/08/11/78/183081178.db2.gz	OWWPIPMYEXKCJU-LNFKQOIKSA-N	-1	0	313.206	0.205	1	0		DCAFRM
[NH3+][C@@H](Cc1cn([C@@H](Cc2ccccc2)C(=O)[O-])nn1)C(=O)[O-]	ZINC000064549452	184299841	/nfs/dbraw/zinc/29/98/41/184299841.db2.gz	YIJJCOANLBAJTF-RYUDHWBXSA-N	-1	0	304.306	0.101	1	0		DCAFRM
[NH3+][C@@H](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(=O)[O-]	ZINC000038441220	574414402	/nfs/dbraw/zinc/41/44/02/574414402.db2.gz	IQMIOSLWXYYPIU-JQWIXIFHSA-N	-1	0	319.317	0.082	1	0	endogenous,in-vitro	DCAFRM
CC(C)C[C@H](NC(=O)CNc1ncnc2nc[nH]c21)C(=O)[O-]	ZINC000653894752	975620854	/nfs/dbraw/zinc/62/08/54/975620854.db2.gz	BJPBWPCQRHFIGS-QMMMGPOBSA-N	-1	0	306.326	0.332	1	0		DCAFRM
CC(=O)N/C=C/SC1=C(C(=O)[O-])N2C(=O)[C@@H]([C@@H](C)O)[C@H]2C1	ZINC000026663209	182449141	/nfs/dbraw/zinc/44/91/41/182449141.db2.gz	PRPNUZWHFGSGRV-GOWMMUNJSA-N	-1	0	312.347	0.235	1	0		DCAFRM
O=[P@@]1([O-])OC[C@H]2O[C@@H](n3ncc4ccccc43)[C@@H](O)[C@@H]2O1	ZINC000058508696	184120765	/nfs/dbraw/zinc/12/07/65/184120765.db2.gz	LLARZPIXBXTOMW-WRWGMCAJSA-N	-1	0	312.218	0.810	1	0		DCAFRM
O=C([O-])CSc1c(S(=O)(=O)c2ccccc2)no[n+]1[O-]	ZINC000040896515	183147174	/nfs/dbraw/zinc/14/71/74/183147174.db2.gz	ZWRQOBHOOLILLP-UHFFFAOYSA-N	-1	0	316.316	0.318	1	0		DCAFRM