smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000013359468 583425087 /nfs/dbraw/zinc/42/50/87/583425087.db2.gz ABKNQZMQTCGYAC-UHFFFAOYSA-N -2 0 346.317 -1.128 20 0 EAADRL CC(C)C[C@H](NC(=O)CNC(=O)c1cnc([O-])n(C)c1=O)C(=O)[O-] ZINC000263235911 414938723 /nfs/dbraw/zinc/93/87/23/414938723.db2.gz CSYVRTTYVHXGIP-VIFPVBQESA-N -2 0 340.336 -1.169 20 0 EAADRL CNC(=O)CNC(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)NC ZINC000266239952 265055642 /nfs/dbraw/zinc/05/56/42/265055642.db2.gz ONUOKYMPHWAFKH-UHFFFAOYSA-N -2 0 330.238 -2.019 20 0 EAADRL C[C@@H](O)[C@@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274895001 265066128 /nfs/dbraw/zinc/06/61/28/265066128.db2.gz GUXWSLJSAPFWHE-CLZZGJSISA-N -2 0 344.305 -1.452 20 0 EAADRL C[C@@H](O)[C@H](NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(=O)[O-] ZINC000274895003 265049724 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HJTDYNFDKHWTQH-SFYZADRCSA-N -2 0 338.338 -1.224 20 0 EAADRL CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274897390 265304420 /nfs/dbraw/zinc/30/44/20/265304420.db2.gz HJTDYNFDKHWTQH-YUMQZZPRSA-N -2 0 338.338 -1.224 20 0 EAADRL COC(=O)C1CCN(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])CC1 ZINC000274905307 265283071 /nfs/dbraw/zinc/28/30/71/265283071.db2.gz JCVKZJIXJBKQIF-MRVPVSSYSA-N -2 0 338.338 -1.366 20 0 EAADRL COC(=O)C1CCN(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])CC1 ZINC000274905309 265332039 /nfs/dbraw/zinc/33/20/39/265332039.db2.gz JCVKZJIXJBKQIF-QMMMGPOBSA-N -2 0 338.338 -1.366 20 0 EAADRL CCOC(=O)c1c[nH]nc1S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000274920375 265062221 /nfs/dbraw/zinc/06/22/21/265062221.db2.gz BFBQHEGUXZUNFU-UHFFFAOYSA-N -2 0 335.294 -1.254 20 0 EAADRL Cn1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])c(=O)n(C)c1=O ZINC000274922893 265194325 /nfs/dbraw/zinc/19/43/25/265194325.db2.gz BLGKEDKBYIOEKF-LURJTMIESA-N -2 0 349.321 -2.462 20 0 EAADRL 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265121392 /nfs/dbraw/zinc/12/13/92/265121392.db2.gz QJIHDZHDNFZDMQ-MRVPVSSYSA-N -2 0 333.366 -1.138 20 0 EAADRL CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000274938047 265349357 /nfs/dbraw/zinc/34/93/57/265349357.db2.gz QLYHXRBKLHKACC-LURJTMIESA-N -2 0 332.356 -2.227 20 0 EAADRL CCS(=O)(=O)NCCS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000274938049 265291616 /nfs/dbraw/zinc/29/16/16/265291616.db2.gz QLYHXRBKLHKACC-ZCFIWIBFSA-N -2 0 332.356 -2.227 20 0 EAADRL CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000274939393 265234374 /nfs/dbraw/zinc/23/43/74/265234374.db2.gz GAKCNQYNYDXRQV-UHFFFAOYSA-N -2 0 332.356 -2.273 20 0 EAADRL Cn1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])c(=O)n(C)c1=O ZINC000274942005 265148756 /nfs/dbraw/zinc/14/87/56/265148756.db2.gz GIJOBYDUBCRIIG-UHFFFAOYSA-N -2 0 335.294 -2.756 20 0 EAADRL COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1C(N)=O ZINC000275022248 265078855 /nfs/dbraw/zinc/07/88/55/265078855.db2.gz RZWGECASKWEMFT-UHFFFAOYSA-N -2 0 346.317 -1.046 20 0 EAADRL CNC(=O)c1cc(S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-])cn1C ZINC000275051089 374625314 /nfs/dbraw/zinc/62/53/14/374625314.db2.gz XAIDVUCQPQUFEY-SSDOTTSWSA-N -2 0 347.349 -1.162 20 0 EAADRL CNC(=O)c1cc(S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-])cn1C ZINC000275051091 414963396 /nfs/dbraw/zinc/96/33/96/414963396.db2.gz XAIDVUCQPQUFEY-ZETCQYMHSA-N -2 0 347.349 -1.162 20 0 EAADRL CNC(=O)c1cc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cn1C ZINC000275058658 265190484 /nfs/dbraw/zinc/19/04/84/265190484.db2.gz YLBKMFYBHZBEPO-UHFFFAOYSA-N -2 0 333.322 -1.455 20 0 EAADRL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000275060935 265084490 /nfs/dbraw/zinc/08/44/90/265084490.db2.gz URWUTNRATVWCRI-MRVPVSSYSA-N -2 0 333.366 -1.138 20 0 EAADRL CNC(=O)c1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])cn1C ZINC000275370939 265373087 /nfs/dbraw/zinc/37/30/87/265373087.db2.gz YRCCFVACDYXFMR-SSDOTTSWSA-N -2 0 333.322 -1.409 20 0 EAADRL COC(=O)c1coc(S(=O)(=O)NCCC(=O)NCC(=O)[O-])c1 ZINC000278266884 265336957 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ZINC001226155560 794499279 /nfs/dbraw/zinc/49/92/79/794499279.db2.gz MGYVJNXXCRARPK-XRGYYRRGSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cncnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226155563 794499785 /nfs/dbraw/zinc/49/97/85/794499785.db2.gz MGYVJNXXCRARPK-YLWLKBPMSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1c[nH]c(=O)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226212058 794499767 /nfs/dbraw/zinc/49/97/67/794499767.db2.gz PNCAUBJMXORFFH-ZCFIWIBFSA-N -2 0 337.177 -1.051 20 0 EAADRL CC(=O)c1cnc(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226237567 794499607 /nfs/dbraw/zinc/49/96/07/794499607.db2.gz KFOLABGFEONJDQ-SVGQVSJJSA-N -2 0 328.233 -1.173 20 0 EAADRL CC(=O)c1cnc(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226237569 794499313 /nfs/dbraw/zinc/49/93/13/794499313.db2.gz KFOLABGFEONJDQ-XNCJUZBTSA-N -2 0 328.233 -1.173 20 0 EAADRL CC(=O)c1cnc(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001226237570 794499804 /nfs/dbraw/zinc/49/98/04/794499804.db2.gz KFOLABGFEONJDQ-XRGYYRRGSA-N -2 0 328.233 -1.173 20 0 EAADRL CC(=O)c1cnc(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226237571 794498686 /nfs/dbraw/zinc/49/86/86/794498686.db2.gz KFOLABGFEONJDQ-YLWLKBPMSA-N -2 0 328.233 -1.173 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n(C)n1 ZINC001226428218 794500823 /nfs/dbraw/zinc/50/08/23/794500823.db2.gz SIVMWSNZFGUNDG-ANLVUFKYSA-N -2 0 330.249 -1.352 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n(C)n1 ZINC001226428221 794500058 /nfs/dbraw/zinc/50/00/58/794500058.db2.gz SIVMWSNZFGUNDG-CDUCUWFYSA-N -2 0 330.249 -1.352 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n(C)n1 ZINC001226428225 794500675 /nfs/dbraw/zinc/50/06/75/794500675.db2.gz SIVMWSNZFGUNDG-MLUIRONXSA-N -2 0 330.249 -1.352 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n(C)n1 ZINC001226428228 794500190 /nfs/dbraw/zinc/50/01/90/794500190.db2.gz SIVMWSNZFGUNDG-SSDLBLMSSA-N -2 0 330.249 -1.352 20 0 EAADRL CCOC(=O)c1cn(C)nc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001226444687 794501199 /nfs/dbraw/zinc/50/11/99/794501199.db2.gz RKRJWJALNPHSDV-SSDOTTSWSA-N -2 0 338.209 -1.028 20 0 EAADRL CCOC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n(C)n1 ZINC001226561508 794501734 /nfs/dbraw/zinc/50/17/34/794501734.db2.gz RAQBNLIQPKVVIO-SSDOTTSWSA-N -2 0 338.209 -1.028 20 0 EAADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1 ZINC001226573452 794502322 /nfs/dbraw/zinc/50/23/22/794502322.db2.gz OWBHXAZESQXHIG-ANLVUFKYSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1 ZINC001226573453 794502360 /nfs/dbraw/zinc/50/23/60/794502360.db2.gz OWBHXAZESQXHIG-CDUCUWFYSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1 ZINC001226573454 794501881 /nfs/dbraw/zinc/50/18/81/794501881.db2.gz OWBHXAZESQXHIG-MLUIRONXSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1 ZINC001226573455 794502091 /nfs/dbraw/zinc/50/20/91/794502091.db2.gz OWBHXAZESQXHIG-SSDLBLMSSA-N -2 0 328.233 -1.295 20 0 EAADRL O=C(Oc1[n-]c(=O)nc2cnncc21)[C@H](O)COP(=O)([O-])[O-] ZINC001226692385 794503385 /nfs/dbraw/zinc/50/33/85/794503385.db2.gz OIWGXOWYLUKMAV-ZCFIWIBFSA-N -3 0 332.165 -1.499 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cnncc21)[C@H](O)C(=O)[O-] ZINC001226692466 794503728 /nfs/dbraw/zinc/50/37/28/794503728.db2.gz PBCLJHXBRGTGJL-NVNXEXLPSA-N -3 0 338.232 -1.433 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cnncc21)[C@@H](O)C(=O)[O-] ZINC001226692469 794503525 /nfs/dbraw/zinc/50/35/25/794503525.db2.gz PBCLJHXBRGTGJL-RNHFCUEFSA-N -3 0 338.232 -1.433 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cnncc21)[C@@H](O)C(=O)[O-] ZINC001226692471 794503849 /nfs/dbraw/zinc/50/38/49/794503849.db2.gz PBCLJHXBRGTGJL-SPGJFGJESA-N -3 0 338.232 -1.433 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cnncc21)[C@H](O)C(=O)[O-] ZINC001226692472 794503503 /nfs/dbraw/zinc/50/35/03/794503503.db2.gz PBCLJHXBRGTGJL-VHWMUFPASA-N -3 0 338.232 -1.433 20 0 EAADRL O=C(Oc1ccnc(N2CCOCC2)n1)[C@H](O)COP(=O)([O-])[O-] ZINC001226750930 794502985 /nfs/dbraw/zinc/50/29/85/794502985.db2.gz RONVZHZEZSIRBG-MRVPVSSYSA-N -2 0 349.236 -1.311 20 0 EAADRL O=C([O-])CC[C@@H](O)C(=O)Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c12 ZINC001226888410 794505867 /nfs/dbraw/zinc/50/58/67/794505867.db2.gz QCTTXFOYPUUDRY-GSVOUGTGSA-N -3 0 326.221 -1.332 20 0 EAADRL O=C(Oc1[n-]c(=O)nc2cnccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001226976276 794506676 /nfs/dbraw/zinc/50/66/76/794506676.db2.gz JFWZYVCSHQSZGJ-SSDOTTSWSA-N -3 0 331.177 -1.306 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cnccc21)[C@@H](O)C(=O)[O-] ZINC001226977001 794507301 /nfs/dbraw/zinc/50/73/01/794507301.db2.gz TZOJPBBPYJVYIG-HZGVNTEJSA-N -3 0 337.244 -1.240 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cnccc21)[C@@H](O)C(=O)[O-] ZINC001226977008 794507314 /nfs/dbraw/zinc/50/73/14/794507314.db2.gz TZOJPBBPYJVYIG-IMTBSYHQSA-N -3 0 337.244 -1.240 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2cnccc21)[C@H](O)C(=O)[O-] ZINC001226977012 794506973 /nfs/dbraw/zinc/50/69/73/794506973.db2.gz TZOJPBBPYJVYIG-MUWHJKNJSA-N -3 0 337.244 -1.240 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2cnccc21)[C@H](O)C(=O)[O-] ZINC001226977015 794506415 /nfs/dbraw/zinc/50/64/15/794506415.db2.gz TZOJPBBPYJVYIG-RCOVLWMOSA-N -3 0 337.244 -1.240 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2nccnc21)[C@@H](O)C(=O)[O-] ZINC001226988935 794506616 /nfs/dbraw/zinc/50/66/16/794506616.db2.gz CECOJGASINIPDN-CLZZGJSISA-N -3 0 338.232 -1.433 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2nccnc21)[C@H](O)C(=O)[O-] ZINC001226988936 794506736 /nfs/dbraw/zinc/50/67/36/794506736.db2.gz CECOJGASINIPDN-FBCQKBJTSA-N -3 0 338.232 -1.433 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2nccnc21)[C@H](O)C(=O)[O-] ZINC001226988937 794507427 /nfs/dbraw/zinc/50/74/27/794507427.db2.gz CECOJGASINIPDN-FFWSUHOLSA-N -3 0 338.232 -1.433 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2nccnc21)[C@@H](O)C(=O)[O-] ZINC001226988938 794506313 /nfs/dbraw/zinc/50/63/13/794506313.db2.gz CECOJGASINIPDN-MHTLYPKNSA-N -3 0 338.232 -1.433 20 0 EAADRL O=C(Oc1[n-]c(=O)nc2nccnc21)[C@H](O)COP(=O)([O-])[O-] ZINC001226989586 794506851 /nfs/dbraw/zinc/50/68/51/794506851.db2.gz MJDPRHIEEHTJIT-SCSAIBSYSA-N -3 0 332.165 -1.499 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2nc[nH]c21)[C@@H](O)C(=O)[O-] ZINC001227072753 794508747 /nfs/dbraw/zinc/50/87/47/794508747.db2.gz IMFIGRSMPDCFJC-AWFVSMACSA-N -3 0 326.221 -1.500 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2nc[nH]c21)[C@@H](O)C(=O)[O-] ZINC001227072755 794508822 /nfs/dbraw/zinc/50/88/22/794508822.db2.gz IMFIGRSMPDCFJC-BBIVZNJYSA-N -3 0 326.221 -1.500 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2nc[nH]c21)[C@H](O)C(=O)[O-] ZINC001227072757 794508331 /nfs/dbraw/zinc/50/83/31/794508331.db2.gz IMFIGRSMPDCFJC-CVYQJGLWSA-N -3 0 326.221 -1.500 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2nc[nH]c21)[C@H](O)C(=O)[O-] ZINC001227072758 794508667 /nfs/dbraw/zinc/50/86/67/794508667.db2.gz IMFIGRSMPDCFJC-DZSWIPIPSA-N -3 0 326.221 -1.500 20 0 EAADRL NS(=O)(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001227203421 794510293 /nfs/dbraw/zinc/51/02/93/794510293.db2.gz PDZGTSUTAIOTIF-MRVPVSSYSA-N -2 0 341.234 -1.290 20 0 EAADRL NS(=O)(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227203897 794510280 /nfs/dbraw/zinc/51/02/80/794510280.db2.gz SEZMJBBPMFGKIO-PSASIEDQSA-N -2 0 347.301 -1.224 20 0 EAADRL NS(=O)(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227203898 794510397 /nfs/dbraw/zinc/51/03/97/794510397.db2.gz SEZMJBBPMFGKIO-SCZZXKLOSA-N -2 0 347.301 -1.224 20 0 EAADRL NS(=O)(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227203899 794510663 /nfs/dbraw/zinc/51/06/63/794510663.db2.gz SEZMJBBPMFGKIO-WCBMZHEXSA-N -2 0 347.301 -1.224 20 0 EAADRL NS(=O)(=O)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001227203900 794510303 /nfs/dbraw/zinc/51/03/03/794510303.db2.gz SEZMJBBPMFGKIO-WPRPVWTQSA-N -2 0 347.301 -1.224 20 0 EAADRL O=C(Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)[C@H](O)COP(=O)([O-])[O-] ZINC001227432672 794511677 /nfs/dbraw/zinc/51/16/77/794511677.db2.gz QBZRVFHGEOBOEA-UWTATZPHSA-N -3 0 336.153 -1.860 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)[C@@H](O)C(=O)[O-] ZINC001227433096 794511328 /nfs/dbraw/zinc/51/13/28/794511328.db2.gz YRUXKXWRTPMIBD-DUZGATOHSA-N -3 0 342.220 -1.794 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)[C@@H](O)C(=O)[O-] ZINC001227433103 794512035 /nfs/dbraw/zinc/51/20/35/794512035.db2.gz YRUXKXWRTPMIBD-JLAZNSOCSA-N -3 0 342.220 -1.794 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)[C@H](O)C(=O)[O-] ZINC001227433104 794511505 /nfs/dbraw/zinc/51/15/05/794511505.db2.gz YRUXKXWRTPMIBD-MVHIGOERSA-N -3 0 342.220 -1.794 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)[C@H](O)C(=O)[O-] ZINC001227433105 794512165 /nfs/dbraw/zinc/51/21/65/794512165.db2.gz YRUXKXWRTPMIBD-VHUNDSFISA-N -3 0 342.220 -1.794 20 0 EAADRL O=c1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]c(=O)[n-]1 ZINC001227569058 794515072 /nfs/dbraw/zinc/51/50/72/794515072.db2.gz SOTDTLZVIOXVNL-SSDOTTSWSA-N -2 0 336.326 -1.750 20 0 EAADRL O=c1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]c(=O)[n-]1 ZINC001227569060 794515361 /nfs/dbraw/zinc/51/53/61/794515361.db2.gz SOTDTLZVIOXVNL-ZETCQYMHSA-N -2 0 336.326 -1.750 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2c1COC2)[C@H](O)C(=O)[O-] ZINC001227686051 794518333 /nfs/dbraw/zinc/51/83/33/794518333.db2.gz FDMMJCABVIHUKS-NVNXEXLPSA-N -3 0 328.233 -1.346 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[n-]c(=O)nc2c1COC2)[C@@H](O)C(=O)[O-] ZINC001227686052 794518434 /nfs/dbraw/zinc/51/84/34/794518434.db2.gz FDMMJCABVIHUKS-RNHFCUEFSA-N -3 0 328.233 -1.346 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2c1COC2)[C@@H](O)C(=O)[O-] ZINC001227686053 794517535 /nfs/dbraw/zinc/51/75/35/794517535.db2.gz FDMMJCABVIHUKS-SPGJFGJESA-N -3 0 328.233 -1.346 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[n-]c(=O)nc2c1COC2)[C@H](O)C(=O)[O-] ZINC001227686054 794518128 /nfs/dbraw/zinc/51/81/28/794518128.db2.gz FDMMJCABVIHUKS-VHWMUFPASA-N -3 0 328.233 -1.346 20 0 EAADRL COC(=O)c1cc(=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c[n-]1 ZINC001227786673 794518476 /nfs/dbraw/zinc/51/84/76/794518476.db2.gz UYVCBMIFGDCBLQ-SSDOTTSWSA-N -3 0 337.177 -1.463 20 0 EAADRL COC(=O)c1cc(=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c[n-]1 ZINC001227787199 794518439 /nfs/dbraw/zinc/51/84/39/794518439.db2.gz ZHGCSHOBQANRRJ-FWOIEVBISA-N -3 0 343.244 -1.397 20 0 EAADRL COC(=O)c1cc(=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c[n-]1 ZINC001227787200 794518215 /nfs/dbraw/zinc/51/82/15/794518215.db2.gz ZHGCSHOBQANRRJ-GPXNAGAYSA-N -3 0 343.244 -1.397 20 0 EAADRL COC(=O)c1cc(=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c[n-]1 ZINC001227787201 794518055 /nfs/dbraw/zinc/51/80/55/794518055.db2.gz ZHGCSHOBQANRRJ-RRAGMBSWSA-N -3 0 343.244 -1.397 20 0 EAADRL COC(=O)c1cc(=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c[n-]1 ZINC001227787202 794517954 /nfs/dbraw/zinc/51/79/54/794517954.db2.gz ZHGCSHOBQANRRJ-XUOSJQGZSA-N -3 0 343.244 -1.397 20 0 EAADRL COC(=O)c1ccc(O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001227825793 794519636 /nfs/dbraw/zinc/51/96/36/794519636.db2.gz OWZLTBLRLOEHPH-SSDOTTSWSA-N -2 0 337.177 -1.051 20 0 EAADRL NC(=O)c1ccc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228166879 794523942 /nfs/dbraw/zinc/52/39/42/794523942.db2.gz GYIXQGRYVFMQMB-GMSGAONNSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1ccc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228166880 794524384 /nfs/dbraw/zinc/52/43/84/794524384.db2.gz GYIXQGRYVFMQMB-OIBJUYFYSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1ccc(O)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228166881 794525053 /nfs/dbraw/zinc/52/50/53/794525053.db2.gz GYIXQGRYVFMQMB-XCBNKYQSSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1ccc(O)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228166882 794525174 /nfs/dbraw/zinc/52/51/74/794525174.db2.gz GYIXQGRYVFMQMB-XVKPBYJWSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228271956 794526179 /nfs/dbraw/zinc/52/61/79/794526179.db2.gz WHJBRJMXUSXFGK-PSASIEDQSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1cc(O)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228271957 794526001 /nfs/dbraw/zinc/52/60/01/794526001.db2.gz WHJBRJMXUSXFGK-SCZZXKLOSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001228271958 794526668 /nfs/dbraw/zinc/52/66/68/794526668.db2.gz WHJBRJMXUSXFGK-WCBMZHEXSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1cc(O)cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001228271959 794526402 /nfs/dbraw/zinc/52/64/02/794526402.db2.gz WHJBRJMXUSXFGK-WPRPVWTQSA-N -2 0 327.245 -1.067 20 0 EAADRL O=c1cc(O)nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001228388755 794526260 /nfs/dbraw/zinc/52/62/60/794526260.db2.gz MUUWXEFYYPXEEY-MRVPVSSYSA-N -2 0 335.338 -1.145 20 0 EAADRL O=c1cc(O)nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001228388759 794526605 /nfs/dbraw/zinc/52/66/05/794526605.db2.gz MUUWXEFYYPXEEY-QMMMGPOBSA-N -2 0 335.338 -1.145 20 0 EAADRL CC(=O)Nc1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001228447661 794525576 /nfs/dbraw/zinc/52/55/76/794525576.db2.gz QQJDFJIHFNXQNW-HZGVNTEJSA-N -2 0 327.249 -1.123 20 0 EAADRL CC(=O)Nc1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001228447662 794525665 /nfs/dbraw/zinc/52/56/65/794525665.db2.gz QQJDFJIHFNXQNW-IMTBSYHQSA-N -2 0 327.249 -1.123 20 0 EAADRL CC(=O)Nc1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001228447663 794526176 /nfs/dbraw/zinc/52/61/76/794526176.db2.gz QQJDFJIHFNXQNW-MUWHJKNJSA-N -2 0 327.249 -1.123 20 0 EAADRL CC(=O)Nc1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001228447664 794526071 /nfs/dbraw/zinc/52/60/71/794526071.db2.gz QQJDFJIHFNXQNW-RCOVLWMOSA-N -2 0 327.249 -1.123 20 0 EAADRL CCCOc1nnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1C ZINC001228454566 794527342 /nfs/dbraw/zinc/52/73/42/794527342.db2.gz CEWWKPANPOORPD-ZCFIWIBFSA-N -2 0 325.214 -1.021 20 0 EAADRL Cn1cnc2nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21 ZINC001228674032 794531609 /nfs/dbraw/zinc/53/16/09/794531609.db2.gz KPITYCRXDDFOBJ-CLZZGJSISA-N -3 0 340.248 -1.489 20 0 EAADRL Cn1cnc2nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21 ZINC001228674055 794531245 /nfs/dbraw/zinc/53/12/45/794531245.db2.gz KPITYCRXDDFOBJ-FBCQKBJTSA-N -3 0 340.248 -1.489 20 0 EAADRL Cn1cnc2nc(=O)[n-]c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c21 ZINC001228674058 794531177 /nfs/dbraw/zinc/53/11/77/794531177.db2.gz KPITYCRXDDFOBJ-FFWSUHOLSA-N -3 0 340.248 -1.489 20 0 EAADRL Cn1cnc2nc(=O)[n-]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c21 ZINC001228674060 794531926 /nfs/dbraw/zinc/53/19/26/794531926.db2.gz KPITYCRXDDFOBJ-MHTLYPKNSA-N -3 0 340.248 -1.489 20 0 EAADRL Cn1cnc2nc(=O)[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c21 ZINC001228675814 794531283 /nfs/dbraw/zinc/53/12/83/794531283.db2.gz YHSTYMGFOWKNST-SCSAIBSYSA-N -3 0 334.181 -1.556 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncn1 ZINC001228761397 794531207 /nfs/dbraw/zinc/53/12/07/794531207.db2.gz VENGVVFEWFATON-ANLVUFKYSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ncn1 ZINC001228761398 794531069 /nfs/dbraw/zinc/53/10/69/794531069.db2.gz VENGVVFEWFATON-CDUCUWFYSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncn1 ZINC001228761399 794532048 /nfs/dbraw/zinc/53/20/48/794532048.db2.gz VENGVVFEWFATON-MLUIRONXSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])ncn1 ZINC001228761400 794531718 /nfs/dbraw/zinc/53/17/18/794531718.db2.gz VENGVVFEWFATON-SSDLBLMSSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1 ZINC001228780182 794531825 /nfs/dbraw/zinc/53/18/25/794531825.db2.gz JPACQXRYCCINGH-HTRCEHHLSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1 ZINC001228780183 794531954 /nfs/dbraw/zinc/53/19/54/794531954.db2.gz JPACQXRYCCINGH-POYBYMJQSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1 ZINC001228780184 794531943 /nfs/dbraw/zinc/53/19/43/794531943.db2.gz JPACQXRYCCINGH-SVRRBLITSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1cnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1 ZINC001228780185 794531134 /nfs/dbraw/zinc/53/11/34/794531134.db2.gz JPACQXRYCCINGH-XPUUQOCRSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccnnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228785587 794531960 /nfs/dbraw/zinc/53/19/60/794531960.db2.gz KEGYOXXULBCKAA-HTRCEHHLSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccnnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228785588 794532011 /nfs/dbraw/zinc/53/20/11/794532011.db2.gz KEGYOXXULBCKAA-POYBYMJQSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccnnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228785589 794531384 /nfs/dbraw/zinc/53/13/84/794531384.db2.gz KEGYOXXULBCKAA-SVRRBLITSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccnnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228785590 794531100 /nfs/dbraw/zinc/53/11/00/794531100.db2.gz KEGYOXXULBCKAA-XPUUQOCRSA-N -2 0 328.233 -1.295 20 0 EAADRL NC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc(C(N)=O)c1 ZINC001228883413 794533039 /nfs/dbraw/zinc/53/30/39/794533039.db2.gz DNIVPYFZUXPUMK-MRVPVSSYSA-N -2 0 348.204 -1.740 20 0 EAADRL COc1nc(OC)nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001229430387 794539115 /nfs/dbraw/zinc/53/91/15/794539115.db2.gz XBRCIKAHQXCUGJ-SCSAIBSYSA-N -2 0 325.170 -1.736 20 0 EAADRL COc1nc(OC)nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001229430456 794538389 /nfs/dbraw/zinc/53/83/89/794538389.db2.gz XQCQIULXCOUMRX-INEUFUBQSA-N -2 0 331.237 -1.669 20 0 EAADRL COc1nc(OC)nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001229430459 794538866 /nfs/dbraw/zinc/53/88/66/794538866.db2.gz XQCQIULXCOUMRX-NJGYIYPDSA-N -2 0 331.237 -1.669 20 0 EAADRL COc1nc(OC)nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001229430462 794538969 /nfs/dbraw/zinc/53/89/69/794538969.db2.gz XQCQIULXCOUMRX-UJURSFKZSA-N -2 0 331.237 -1.669 20 0 EAADRL COc1nc(OC)nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001229430463 794539031 /nfs/dbraw/zinc/53/90/31/794539031.db2.gz XQCQIULXCOUMRX-XINAWCOVSA-N -2 0 331.237 -1.669 20 0 EAADRL NC(=O)c1nc(F)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229727554 794541767 /nfs/dbraw/zinc/54/17/67/794541767.db2.gz QBGPRTSGKIXBPT-CLTAVNFZSA-N -2 0 331.212 -1.844 20 0 EAADRL NC(=O)c1nc(F)cnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229727555 794541660 /nfs/dbraw/zinc/54/16/60/794541660.db2.gz QBGPRTSGKIXBPT-NFNCENRGSA-N -2 0 331.212 -1.844 20 0 EAADRL NC(=O)c1nc(F)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229727557 794541824 /nfs/dbraw/zinc/54/18/24/794541824.db2.gz QBGPRTSGKIXBPT-NOWQDGDBSA-N -2 0 331.212 -1.844 20 0 EAADRL NC(=O)c1nc(F)cnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229727559 794541494 /nfs/dbraw/zinc/54/14/94/794541494.db2.gz QBGPRTSGKIXBPT-WVBDSBKLSA-N -2 0 331.212 -1.844 20 0 EAADRL NC(=O)c1nc(F)cnc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229728063 794541071 /nfs/dbraw/zinc/54/10/71/794541071.db2.gz XWDMRMJIVSNWHQ-GSVOUGTGSA-N -2 0 325.145 -1.910 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2ccnn21)[C@H](O)C(=O)[O-] ZINC001229820409 794542465 /nfs/dbraw/zinc/54/24/65/794542465.db2.gz SQABTRYQOATSLV-FWOIEVBISA-N -2 0 325.233 -1.123 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1cc(=O)[nH]c2ccnn21)[C@@H](O)C(=O)[O-] ZINC001229820417 794542791 /nfs/dbraw/zinc/54/27/91/794542791.db2.gz SQABTRYQOATSLV-GPXNAGAYSA-N -2 0 325.233 -1.123 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2ccnn21)[C@H](O)C(=O)[O-] ZINC001229820418 794542475 /nfs/dbraw/zinc/54/24/75/794542475.db2.gz SQABTRYQOATSLV-RRAGMBSWSA-N -2 0 325.233 -1.123 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1cc(=O)[nH]c2ccnn21)[C@@H](O)C(=O)[O-] ZINC001229820421 794542875 /nfs/dbraw/zinc/54/28/75/794542875.db2.gz SQABTRYQOATSLV-XUOSJQGZSA-N -2 0 325.233 -1.123 20 0 EAADRL COC(=O)c1cnc(=O)[nH]c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229870760 794543101 /nfs/dbraw/zinc/54/31/01/794543101.db2.gz MWMIFWLHTKNCNS-RXMQYKEDSA-N -2 0 338.165 -1.656 20 0 EAADRL COC(=O)c1cnc(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229871426 794543303 /nfs/dbraw/zinc/54/33/03/794543303.db2.gz WLVNHJGDFGZUHU-CLZZGJSISA-N -2 0 344.232 -1.589 20 0 EAADRL COC(=O)c1cnc(=O)[nH]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229871427 794543258 /nfs/dbraw/zinc/54/32/58/794543258.db2.gz WLVNHJGDFGZUHU-FBCQKBJTSA-N -2 0 344.232 -1.589 20 0 EAADRL COC(=O)c1cnc(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001229871428 794542669 /nfs/dbraw/zinc/54/26/69/794542669.db2.gz WLVNHJGDFGZUHU-FFWSUHOLSA-N -2 0 344.232 -1.589 20 0 EAADRL COC(=O)c1cnc(=O)[nH]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001229871429 794542783 /nfs/dbraw/zinc/54/27/83/794542783.db2.gz WLVNHJGDFGZUHU-MHTLYPKNSA-N -2 0 344.232 -1.589 20 0 EAADRL Cn1c2[nH]cnc2c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1=O ZINC001230005090 794544595 /nfs/dbraw/zinc/54/45/95/794544595.db2.gz RAZZEGRCMILXOD-CLZZGJSISA-N -2 0 340.248 -1.950 20 0 EAADRL Cn1c2[nH]cnc2c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1=O ZINC001230005097 794544273 /nfs/dbraw/zinc/54/42/73/794544273.db2.gz RAZZEGRCMILXOD-FBCQKBJTSA-N -2 0 340.248 -1.950 20 0 EAADRL Cn1c2[nH]cnc2c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nc1=O ZINC001230005098 794543951 /nfs/dbraw/zinc/54/39/51/794543951.db2.gz RAZZEGRCMILXOD-FFWSUHOLSA-N -2 0 340.248 -1.950 20 0 EAADRL Cn1c2[nH]cnc2c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nc1=O ZINC001230005100 794544451 /nfs/dbraw/zinc/54/44/51/794544451.db2.gz RAZZEGRCMILXOD-MHTLYPKNSA-N -2 0 340.248 -1.950 20 0 EAADRL Cn1c2[nH]cnc2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc1=O ZINC001230005163 794544062 /nfs/dbraw/zinc/54/40/62/794544062.db2.gz SLKQRTSLNXICMF-SCSAIBSYSA-N -2 0 334.181 -2.016 20 0 EAADRL COc1c(=O)[nH]c(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230027439 794544889 /nfs/dbraw/zinc/54/48/89/794544889.db2.gz XJBGGHPPVWTMSE-CAHLUQPWSA-N -2 0 330.249 -1.059 20 0 EAADRL COc1c(=O)[nH]c(C)nc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230027446 794544246 /nfs/dbraw/zinc/54/42/46/794544246.db2.gz XJBGGHPPVWTMSE-FSPLSTOPSA-N -2 0 330.249 -1.059 20 0 EAADRL COc1c(=O)[nH]c(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230027448 794545280 /nfs/dbraw/zinc/54/52/80/794545280.db2.gz XJBGGHPPVWTMSE-IYSWYEEDSA-N -2 0 330.249 -1.059 20 0 EAADRL COc1c(=O)[nH]c(C)nc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230027452 794544967 /nfs/dbraw/zinc/54/49/67/794544967.db2.gz XJBGGHPPVWTMSE-VDTYLAMSSA-N -2 0 330.249 -1.059 20 0 EAADRL CCOC(=O)c1cnn(C)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001230369130 794552655 /nfs/dbraw/zinc/55/26/55/794552655.db2.gz DEXHFZNCWJHRNQ-SSDOTTSWSA-N -2 0 338.209 -1.028 20 0 EAADRL COc1ncc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001230524091 794576173 /nfs/dbraw/zinc/57/61/73/794576173.db2.gz KVNGHGXXAMGLGO-SVGQVSJJSA-N -2 0 330.249 -1.064 20 0 EAADRL COc1ncc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001230524094 794576132 /nfs/dbraw/zinc/57/61/32/794576132.db2.gz KVNGHGXXAMGLGO-XNCJUZBTSA-N -2 0 330.249 -1.064 20 0 EAADRL COc1ncc(OC)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001230524095 794575994 /nfs/dbraw/zinc/57/59/94/794575994.db2.gz KVNGHGXXAMGLGO-XRGYYRRGSA-N -2 0 330.249 -1.064 20 0 EAADRL COc1ncc(OC)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001230524096 794576127 /nfs/dbraw/zinc/57/61/27/794576127.db2.gz KVNGHGXXAMGLGO-YLWLKBPMSA-N -2 0 330.249 -1.064 20 0 EAADRL NC(=O)c1nc(Cl)cnc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001230871206 794584513 /nfs/dbraw/zinc/58/45/13/794584513.db2.gz AMSDRQDUFQXRHZ-GSVOUGTGSA-N -2 0 341.600 -1.396 20 0 EAADRL NC(=O)c1nc(Cl)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230872912 794583895 /nfs/dbraw/zinc/58/38/95/794583895.db2.gz SRXGJCSNCQLQHL-CLTAVNFZSA-N -2 0 347.667 -1.329 20 0 EAADRL NC(=O)c1nc(Cl)cnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230872916 794583873 /nfs/dbraw/zinc/58/38/73/794583873.db2.gz SRXGJCSNCQLQHL-NFNCENRGSA-N -2 0 347.667 -1.329 20 0 EAADRL NC(=O)c1nc(Cl)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230872918 794583920 /nfs/dbraw/zinc/58/39/20/794583920.db2.gz SRXGJCSNCQLQHL-NOWQDGDBSA-N -2 0 347.667 -1.329 20 0 EAADRL NC(=O)c1nc(Cl)cnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230872920 794584048 /nfs/dbraw/zinc/58/40/48/794584048.db2.gz SRXGJCSNCQLQHL-WVBDSBKLSA-N -2 0 347.667 -1.329 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1C ZINC001231358618 794591418 /nfs/dbraw/zinc/59/14/18/794591418.db2.gz YUVSHXACJRNILY-ANLVUFKYSA-N -2 0 330.249 -1.352 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])nn1C ZINC001231358696 794591603 /nfs/dbraw/zinc/59/16/03/794591603.db2.gz YUVSHXACJRNILY-CDUCUWFYSA-N -2 0 330.249 -1.352 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1C ZINC001231358698 794591671 /nfs/dbraw/zinc/59/16/71/794591671.db2.gz YUVSHXACJRNILY-MLUIRONXSA-N -2 0 330.249 -1.352 20 0 EAADRL COC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1C ZINC001231358700 794591552 /nfs/dbraw/zinc/59/15/52/794591552.db2.gz YUVSHXACJRNILY-SSDLBLMSSA-N -2 0 330.249 -1.352 20 0 EAADRL COC(=O)c1nc[nH]c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233757402 794604493 /nfs/dbraw/zinc/60/44/93/794604493.db2.gz CPUAVJFEFHALJA-CLZZGJSISA-N -2 0 344.232 -1.589 20 0 EAADRL COC(=O)c1nc[nH]c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233757403 794605171 /nfs/dbraw/zinc/60/51/71/794605171.db2.gz CPUAVJFEFHALJA-FBCQKBJTSA-N -2 0 344.232 -1.589 20 0 EAADRL COC(=O)c1nc[nH]c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001233757404 794605076 /nfs/dbraw/zinc/60/50/76/794605076.db2.gz CPUAVJFEFHALJA-FFWSUHOLSA-N -2 0 344.232 -1.589 20 0 EAADRL COC(=O)c1nc[nH]c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233757405 794604974 /nfs/dbraw/zinc/60/49/74/794604974.db2.gz CPUAVJFEFHALJA-MHTLYPKNSA-N -2 0 344.232 -1.589 20 0 EAADRL COC(=O)c1nc[nH]c(=O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001233761873 794606751 /nfs/dbraw/zinc/60/67/51/794606751.db2.gz QHCGEVZICUGYLQ-SCSAIBSYSA-N -2 0 338.165 -1.656 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2cn[n-]c21)[C@@H](O)C(=O)[O-] ZINC001233939936 794610968 /nfs/dbraw/zinc/61/09/68/794610968.db2.gz QYGHYKLBKLWRDE-CLTAVNFZSA-N -3 0 326.221 -1.912 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2cn[n-]c21)[C@H](O)C(=O)[O-] ZINC001233939937 794611791 /nfs/dbraw/zinc/61/17/91/794611791.db2.gz QYGHYKLBKLWRDE-NFNCENRGSA-N -3 0 326.221 -1.912 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1[nH]c(=O)nc2cn[n-]c21)[C@H](O)C(=O)[O-] ZINC001233939938 794611854 /nfs/dbraw/zinc/61/18/54/794611854.db2.gz QYGHYKLBKLWRDE-NOWQDGDBSA-N -3 0 326.221 -1.912 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1[nH]c(=O)nc2cn[n-]c21)[C@@H](O)C(=O)[O-] ZINC001233939939 794610887 /nfs/dbraw/zinc/61/08/87/794610887.db2.gz QYGHYKLBKLWRDE-WVBDSBKLSA-N -3 0 326.221 -1.912 20 0 EAADRL NC(=O)c1c(O)cccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234154784 794614573 /nfs/dbraw/zinc/61/45/73/794614573.db2.gz XDAPGKXQNJFKBZ-FWOIEVBISA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1c(O)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234154792 794614489 /nfs/dbraw/zinc/61/44/89/794614489.db2.gz XDAPGKXQNJFKBZ-GPXNAGAYSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1c(O)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234154797 794614547 /nfs/dbraw/zinc/61/45/47/794614547.db2.gz XDAPGKXQNJFKBZ-RRAGMBSWSA-N -2 0 327.245 -1.067 20 0 EAADRL NC(=O)c1c(O)cccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234154803 794614720 /nfs/dbraw/zinc/61/47/20/794614720.db2.gz XDAPGKXQNJFKBZ-XUOSJQGZSA-N -2 0 327.245 -1.067 20 0 EAADRL Cn1cc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(=O)n(C)c1=O ZINC001234190145 794613453 /nfs/dbraw/zinc/61/34/53/794613453.db2.gz BFOKSHBKOAYRBQ-SVGQVSJJSA-N -2 0 330.249 -2.474 20 0 EAADRL Cn1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(=O)n(C)c1=O ZINC001234190163 794614420 /nfs/dbraw/zinc/61/44/20/794614420.db2.gz BFOKSHBKOAYRBQ-XNCJUZBTSA-N -2 0 330.249 -2.474 20 0 EAADRL Cn1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(=O)n(C)c1=O ZINC001234190166 794613679 /nfs/dbraw/zinc/61/36/79/794613679.db2.gz BFOKSHBKOAYRBQ-XRGYYRRGSA-N -2 0 330.249 -2.474 20 0 EAADRL Cn1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(=O)n(C)c1=O ZINC001234190168 794615745 /nfs/dbraw/zinc/61/57/45/794615745.db2.gz BFOKSHBKOAYRBQ-YLWLKBPMSA-N -2 0 330.249 -2.474 20 0 EAADRL O=C(Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234378106 794619161 /nfs/dbraw/zinc/61/91/61/794619161.db2.gz IVOAXNCJPVCRRP-UWTATZPHSA-N -3 0 338.117 -3.916 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@H](O)C(=O)[O-] ZINC001234379037 794620172 /nfs/dbraw/zinc/62/01/72/794620172.db2.gz RETVJFIQJOLUPN-FONMRSAGSA-N -3 0 344.184 -3.850 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@H](O)C(=O)[O-] ZINC001234379038 794619835 /nfs/dbraw/zinc/61/98/35/794619835.db2.gz RETVJFIQJOLUPN-OKKQSCSOSA-N -3 0 344.184 -3.850 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@@H](O)C(=O)[O-] ZINC001234379039 794619562 /nfs/dbraw/zinc/61/95/62/794619562.db2.gz RETVJFIQJOLUPN-VVJJHMBFSA-N -3 0 344.184 -3.850 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1c([O-])c(=O)c(=O)c(=O)c1=O)[C@@H](O)C(=O)[O-] ZINC001234379040 794619866 /nfs/dbraw/zinc/61/98/66/794619866.db2.gz RETVJFIQJOLUPN-ZAFYKAAXSA-N -3 0 344.184 -3.850 20 0 EAADRL NS(=O)(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234414303 794621176 /nfs/dbraw/zinc/62/11/76/794621176.db2.gz JLZNEIJUUYCUKJ-LDWIPMOCSA-N -2 0 347.301 -1.224 20 0 EAADRL NS(=O)(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234414316 794621259 /nfs/dbraw/zinc/62/12/59/794621259.db2.gz JLZNEIJUUYCUKJ-LHLIQPBNSA-N -2 0 347.301 -1.224 20 0 EAADRL NS(=O)(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234414317 794620892 /nfs/dbraw/zinc/62/08/92/794620892.db2.gz JLZNEIJUUYCUKJ-QUBYGPBYSA-N -2 0 347.301 -1.224 20 0 EAADRL NS(=O)(=O)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234414327 794620635 /nfs/dbraw/zinc/62/06/35/794620635.db2.gz JLZNEIJUUYCUKJ-WKEGUHRASA-N -2 0 347.301 -1.224 20 0 EAADRL NS(=O)(=O)c1ccccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234416534 794621401 /nfs/dbraw/zinc/62/14/01/794621401.db2.gz VUSGNUMKHSPZNO-ZCFIWIBFSA-N -2 0 341.234 -1.290 20 0 EAADRL NC(=O)c1nc[nH]c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234471079 794623353 /nfs/dbraw/zinc/62/33/53/794623353.db2.gz BDHNBVQRJQIENA-AWFVSMACSA-N -2 0 329.221 -2.277 20 0 EAADRL NC(=O)c1nc[nH]c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234471080 794622313 /nfs/dbraw/zinc/62/23/13/794622313.db2.gz BDHNBVQRJQIENA-BBIVZNJYSA-N -2 0 329.221 -2.277 20 0 EAADRL NC(=O)c1nc[nH]c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234471081 794623203 /nfs/dbraw/zinc/62/32/03/794623203.db2.gz BDHNBVQRJQIENA-CVYQJGLWSA-N -2 0 329.221 -2.277 20 0 EAADRL NC(=O)c1nc[nH]c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234471082 794623120 /nfs/dbraw/zinc/62/31/20/794623120.db2.gz BDHNBVQRJQIENA-DZSWIPIPSA-N -2 0 329.221 -2.277 20 0 EAADRL Cc1nc(C(N)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(=O)[nH]1 ZINC001234478914 794623235 /nfs/dbraw/zinc/62/32/35/794623235.db2.gz VTKSOOFDCNMUOP-CLZZGJSISA-N -2 0 343.248 -1.969 20 0 EAADRL Cc1nc(C(N)=O)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(=O)[nH]1 ZINC001234478919 794622585 /nfs/dbraw/zinc/62/25/85/794622585.db2.gz VTKSOOFDCNMUOP-FBCQKBJTSA-N -2 0 343.248 -1.969 20 0 EAADRL Cc1nc(C(N)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(=O)[nH]1 ZINC001234478920 794623082 /nfs/dbraw/zinc/62/30/82/794623082.db2.gz VTKSOOFDCNMUOP-FFWSUHOLSA-N -2 0 343.248 -1.969 20 0 EAADRL Cc1nc(C(N)=O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c(=O)[nH]1 ZINC001234478921 794623399 /nfs/dbraw/zinc/62/33/99/794623399.db2.gz VTKSOOFDCNMUOP-MHTLYPKNSA-N -2 0 343.248 -1.969 20 0 EAADRL Cc1nc(C(N)=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(=O)[nH]1 ZINC001234479347 794623032 /nfs/dbraw/zinc/62/30/32/794623032.db2.gz YSDFDEBIVUBJCA-SCSAIBSYSA-N -2 0 337.181 -2.035 20 0 EAADRL O=C(Oc1cccc2[nH]c(=O)c(=O)[nH]c21)[C@H](O)COP(=O)([O-])[O-] ZINC001234549768 794624445 /nfs/dbraw/zinc/62/44/45/794624445.db2.gz BEJCGQQGJRNULD-ZCFIWIBFSA-N -2 0 346.188 -1.408 20 0 EAADRL CNC(=O)c1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234656888 794625636 /nfs/dbraw/zinc/62/56/36/794625636.db2.gz XMFMHAIQDOCXKT-LDWIPMOCSA-N -2 0 326.261 -1.117 20 0 EAADRL CNC(=O)c1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234656889 794626035 /nfs/dbraw/zinc/62/60/35/794626035.db2.gz XMFMHAIQDOCXKT-LHLIQPBNSA-N -2 0 326.261 -1.117 20 0 EAADRL CNC(=O)c1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234656891 794625993 /nfs/dbraw/zinc/62/59/93/794625993.db2.gz XMFMHAIQDOCXKT-QUBYGPBYSA-N -2 0 326.261 -1.117 20 0 EAADRL CNC(=O)c1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234656893 794626138 /nfs/dbraw/zinc/62/61/38/794626138.db2.gz XMFMHAIQDOCXKT-WKEGUHRASA-N -2 0 326.261 -1.117 20 0 EAADRL COC(=O)c1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001234670054 794625526 /nfs/dbraw/zinc/62/55/26/794625526.db2.gz XCBSJKDVAXDYES-SVGQVSJJSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001234670062 794625836 /nfs/dbraw/zinc/62/58/36/794625836.db2.gz XCBSJKDVAXDYES-XNCJUZBTSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001234670065 794626208 /nfs/dbraw/zinc/62/62/08/794626208.db2.gz XCBSJKDVAXDYES-XRGYYRRGSA-N -2 0 328.233 -1.295 20 0 EAADRL COC(=O)c1ccnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001234670067 794626257 /nfs/dbraw/zinc/62/62/57/794626257.db2.gz XCBSJKDVAXDYES-YLWLKBPMSA-N -2 0 328.233 -1.295 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1nc(F)nc2[nH]cnc21)[C@@H](O)C(=O)[O-] ZINC001234693544 794626146 /nfs/dbraw/zinc/62/61/46/794626146.db2.gz PYVCCSIJEDXILS-AWFVSMACSA-N -2 0 328.212 -1.066 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1nc(F)nc2[nH]cnc21)[C@@H](O)C(=O)[O-] ZINC001234693551 794625237 /nfs/dbraw/zinc/62/52/37/794625237.db2.gz PYVCCSIJEDXILS-BBIVZNJYSA-N -2 0 328.212 -1.066 20 0 EAADRL O=C([O-])C[C@@H](C(=O)Oc1nc(F)nc2[nH]cnc21)[C@H](O)C(=O)[O-] ZINC001234693555 794625425 /nfs/dbraw/zinc/62/54/25/794625425.db2.gz PYVCCSIJEDXILS-CVYQJGLWSA-N -2 0 328.212 -1.066 20 0 EAADRL O=C([O-])C[C@H](C(=O)Oc1nc(F)nc2[nH]cnc21)[C@H](O)C(=O)[O-] ZINC001234693557 794625791 /nfs/dbraw/zinc/62/57/91/794625791.db2.gz PYVCCSIJEDXILS-DZSWIPIPSA-N -2 0 328.212 -1.066 20 0 EAADRL COc1cnnc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1OC ZINC001234827847 794626242 /nfs/dbraw/zinc/62/62/42/794626242.db2.gz NSHUIJFYPWXRMS-SVGQVSJJSA-N -2 0 330.249 -1.064 20 0 EAADRL COc1cnnc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1OC ZINC001234827849 794626175 /nfs/dbraw/zinc/62/61/75/794626175.db2.gz NSHUIJFYPWXRMS-XNCJUZBTSA-N -2 0 330.249 -1.064 20 0 EAADRL COc1cnnc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1OC ZINC001234827851 794626268 /nfs/dbraw/zinc/62/62/68/794626268.db2.gz NSHUIJFYPWXRMS-XRGYYRRGSA-N -2 0 330.249 -1.064 20 0 EAADRL COc1cnnc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1OC ZINC001234827853 794626196 /nfs/dbraw/zinc/62/61/96/794626196.db2.gz NSHUIJFYPWXRMS-YLWLKBPMSA-N -2 0 330.249 -1.064 20 0 EAADRL O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(NC[C@H](O)CO)c1 ZINC001252064636 794687198 /nfs/dbraw/zinc/68/71/98/794687198.db2.gz QYDHYIGCUHITQB-LURJTMIESA-N -2 0 327.336 -1.055 20 0 EAADRL C[C@H]1[C@H]([N-]S(=O)(=O)CC(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001253218519 791449857 /nfs/dbraw/zinc/44/98/57/791449857.db2.gz VIUQAIDHATYHCA-IMJSIDKUSA-N -2 0 326.274 -1.130 20 0 EAADRL NS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001260080893 794766519 /nfs/dbraw/zinc/76/65/19/794766519.db2.gz VIQLGKDDMIHFDF-UHFFFAOYSA-N -2 0 332.337 -1.205 20 0 EAADRL O=C(Cc1nnn[n-]1)N1CCc2onc(C(=O)[N-]c3nnco3)c2C1 ZINC001270784266 785618123 /nfs/dbraw/zinc/61/81/23/785618123.db2.gz GVHKVGWRXUGAPP-UHFFFAOYSA-N -2 0 345.279 -1.050 20 0 EAADRL Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)Cc1nnn[n-]1)C2 ZINC001270784996 785619656 /nfs/dbraw/zinc/61/96/56/785619656.db2.gz OWNGYMSDJKOQPP-UHFFFAOYSA-N -2 0 344.299 -2.795 20 0 EAADRL Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)Cc3nnn[n-]3)C[C@H]12 ZINC001270785050 785618708 /nfs/dbraw/zinc/61/87/08/785618708.db2.gz QFHDBTQNYLNHLW-NTSWFWBYSA-N -2 0 347.299 -3.461 20 0 EAADRL Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc(=O)[nH][n-]3)C[C@H]12 ZINC001276019274 791565765 /nfs/dbraw/zinc/56/57/65/791565765.db2.gz MLYAKWGNEXISBN-CAHLUQPWSA-N -2 0 347.295 -2.474 20 0 EAADRL Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC001276020013 791566245 /nfs/dbraw/zinc/56/62/45/791566245.db2.gz YBXQVIVCTINKIE-UHFFFAOYSA-N -2 0 344.295 -1.808 20 0 EAADRL