smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])oc1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001607601296 1164234451 /nfs/dbraw/zinc/23/44/51/1164234451.db2.gz AHOMRYXHLJAPQF-SSDOTTSWSA-N -2 0 269.253 1.079 20 0 CDADRL Cc1nc(N[C@H](CC(C)C)C(=O)[O-])ccc1C(=O)[O-] ZINC001607966583 1164356762 /nfs/dbraw/zinc/35/67/62/1164356762.db2.gz VEJNSYILSJFAII-SNVBAGLBSA-N -2 0 266.297 1.999 20 0 CDADRL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC001608771011 1164632323 /nfs/dbraw/zinc/63/23/23/1164632323.db2.gz LRFRZXSGFPPFGX-GARJFASQSA-N -2 0 298.339 1.136 20 0 CDADRL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001609817283 1165095169 /nfs/dbraw/zinc/09/51/69/1165095169.db2.gz APVOLEGCCXUPNB-VIFPVBQESA-N -2 0 291.369 1.124 20 0 CDADRL O=C([O-])Cc1c[n-]n(-c2cccc(Cl)n2)c1=O ZINC001608690150 1167931980 /nfs/dbraw/zinc/93/19/80/1167931980.db2.gz ABMARJRRVBXQRV-ZCFIWIBFSA-N -2 0 253.645 1.158 20 0 CDADRL Cn1cncc1NC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189870854 921682210 /nfs/dbraw/zinc/68/22/10/921682210.db2.gz FMSOPJLTZQNQIQ-UHFFFAOYSA-N -2 0 297.207 1.144 20 0 CDADRL CC1(CC(=O)NCCCC[P@@](=O)([O-])O)CCC1 ZINC001185110856 919427713 /nfs/dbraw/zinc/42/77/13/919427713.db2.gz ZPZWSNLXNFGRCR-UHFFFAOYSA-N -2 0 263.274 1.641 20 0 CDADRL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000828454933 926130156 /nfs/dbraw/zinc/13/01/56/926130156.db2.gz BRPNZQUYOGXYRL-ZDUSSCGKSA-N -2 0 285.246 1.750 20 0 CDADRL O=C([O-])c1cc(Cl)cnc1NCc1cc(=O)[n-]o1 ZINC001169484692 928069974 /nfs/dbraw/zinc/06/99/74/928069974.db2.gz VDDJQBBQWMPCSV-UHFFFAOYSA-N -2 0 269.644 1.739 20 0 CDADRL CC[C@@](C)(CNS(=O)(=O)c1ccc(C(=O)[O-])o1)OC ZINC000322608635 970909503 /nfs/dbraw/zinc/90/95/03/970909503.db2.gz KEKKBXQSWSZURA-NSHDSACASA-N -2 0 291.325 1.071 20 0 CDADRL COCC(COC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234341064 943808750 /nfs/dbraw/zinc/80/87/50/943808750.db2.gz WPXLUWUSIVMARL-UHFFFAOYSA-N -2 0 292.224 1.198 20 0 CDADRL Cn1cnc(S(=O)(=O)[N-]c2ccc([S-])cc2)c1 ZINC001258999102 945460501 /nfs/dbraw/zinc/46/05/01/945460501.db2.gz XRSXTAWMVXLHFT-UHFFFAOYSA-N -2 0 269.351 1.510 20 0 CDADRL Cc1n[nH]c(C)c1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001240128004 945681659 /nfs/dbraw/zinc/68/16/59/945681659.db2.gz VZALSXQIYOONLP-UHFFFAOYSA-N -2 0 252.210 1.497 20 0 CDADRL Cc1nc(S(=O)(=O)[N-]c2ccc([S-])cc2)cn1C ZINC001260547548 945834490 /nfs/dbraw/zinc/83/44/90/945834490.db2.gz WFUBQIYKFYPMJE-UHFFFAOYSA-N -2 0 283.378 1.818 20 0 CDADRL O=c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)[nH]1 ZINC001243735776 947196071 /nfs/dbraw/zinc/19/60/71/947196071.db2.gz ZLBQXQGCMAGOGX-UHFFFAOYSA-N -2 0 251.178 1.257 20 0 CDADRL O=C([O-])c1n[nH]cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC001594798155 953716749 /nfs/dbraw/zinc/71/67/49/953716749.db2.gz FIZIPQRNPWVUOR-UHFFFAOYSA-N -2 0 281.655 1.719 20 0 CDADRL CC(C)[C@H](CO)O[N-]C(=O)C1(C(=O)[O-])CCCCC1 ZINC001602992905 972026838 /nfs/dbraw/zinc/02/68/38/972026838.db2.gz ZROKZOLTLWMDFN-JTQLQIEISA-N -2 0 273.329 1.086 20 0 CDADRL CC(C)C[C@@H](CNC(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001603004818 972055162 /nfs/dbraw/zinc/05/51/62/972055162.db2.gz PGGOAKKAHLQMPR-JTQLQIEISA-N -2 0 285.340 1.495 20 0 CDADRL C[C@@H](C(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000121987250 958471634 /nfs/dbraw/zinc/47/16/34/958471634.db2.gz HVPCSGSHLLOHMZ-RQJHMYQMSA-N -2 0 271.294 1.101 20 0 CDADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccccn1 ZINC000134660890 958842432 /nfs/dbraw/zinc/84/24/32/958842432.db2.gz OZMYCPILPBCNMQ-UHFFFAOYSA-N -2 0 285.306 1.037 20 0 CDADRL O=C([O-])c1ccc(CNC(=O)c2ccc(O)cn2)cc1 ZINC001574412588 961303225 /nfs/dbraw/zinc/30/32/25/961303225.db2.gz HFDVAGVGWJFKEE-UHFFFAOYSA-N -2 0 272.260 1.415 20 0 CDADRL C[C@@H](C(=O)[O-])C(=O)Nc1nccc(Br)c1[O-] ZINC001573591445 969821791 /nfs/dbraw/zinc/82/17/91/969821791.db2.gz ZOPFNQMWFZSCBI-SCSAIBSYSA-N -2 0 289.085 1.209 20 0 CDADRL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(F)cc(F)c1[O-] ZINC001603388325 972988919 /nfs/dbraw/zinc/98/89/19/972988919.db2.gz IBXUOAPRXJCDAQ-SFYZADRCSA-N -2 0 299.273 1.996 20 0 CDADRL O=C([O-])CC[C@H]1C[C@H](C(=O)[N-]Oc2ccccc2F)CO1 ZINC001606112085 973330340 /nfs/dbraw/zinc/33/03/40/973330340.db2.gz SPXMELWMJQVSOX-UWVGGRQHSA-N -2 0 297.282 1.506 20 0 CDADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[nH]n1 ZINC000694149066 976669611 /nfs/dbraw/zinc/66/96/11/976669611.db2.gz RFKVNKLGJDFUGN-UHFFFAOYSA-N -2 0 299.308 1.625 20 0 CDADRL C[C@H](/C=C\C(=O)[O-])NC(=O)c1s[n-]c(=O)c1Cl ZINC001592220007 977391881 /nfs/dbraw/zinc/39/18/81/977391881.db2.gz WCRQQOOLSGGEFR-BLDZNJJUSA-N -2 0 276.701 1.261 20 0 CDADRL CC[C@@H](CNC(=O)N1CC[C@]2(C(=O)[O-])CCC[C@H]12)C(=O)[O-] ZINC001595147232 979626486 /nfs/dbraw/zinc/62/64/86/979626486.db2.gz OWHKHPANOVCVNN-PKFCDNJMSA-N -2 0 298.339 1.136 20 0 CDADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001604508833 1163213924 /nfs/dbraw/zinc/21/39/24/1163213924.db2.gz NVQZIGGXROLYBZ-ZJUUUORDSA-N -2 0 295.266 1.819 20 0 CDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC001604520013 1163216029 /nfs/dbraw/zinc/21/60/29/1163216029.db2.gz YGKAOILLYQUTHO-FWOIEVBISA-N -2 0 297.229 1.009 20 0 CDADRL CCC[C@@H](C(=O)[O-])[S@](=O)Cc1ccccc1C(=O)[O-] ZINC001595536873 981385159 /nfs/dbraw/zinc/38/51/59/981385159.db2.gz FNEHKZPASBYVBR-JEOXALJRSA-N -2 0 284.333 1.887 20 0 CDADRL CCc1[nH]c(C(=O)N2CCC[C@H]2C(=O)[O-])c(C)c1C(=O)[O-] ZINC001597360856 987515515 /nfs/dbraw/zinc/51/55/15/987515515.db2.gz HUAQVUVIYFPYIA-VIFPVBQESA-N -2 0 294.307 1.273 20 0 CDADRL CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001590957984 991045069 /nfs/dbraw/zinc/04/50/69/991045069.db2.gz ZALJGLPILLTNPR-ZDUSSCGKSA-N -2 0 293.319 1.999 20 0 CDADRL CC(C)C[C@@H](CNC(=O)N[C@H]1CC=C(C(=O)[O-])C1)C(=O)[O-] ZINC001591149273 991889671 /nfs/dbraw/zinc/88/96/71/991889671.db2.gz QMWGBUVWAFZJFM-QWRGUYRKSA-N -2 0 298.339 1.206 20 0 CDADRL Cc1[n-]n(C[C@H]2CCSC2)c(=O)c1CC(=O)[O-] ZINC001594115003 998244020 /nfs/dbraw/zinc/24/40/20/998244020.db2.gz RCAWXDILKIPVDH-RKDXNWHRSA-N -2 0 256.327 1.049 20 0 CDADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001594209997 998814798 /nfs/dbraw/zinc/81/47/98/998814798.db2.gz LOMVPURPKKWHJB-JGVFFNPUSA-N -2 0 281.264 1.161 20 0 CDADRL CO[C@@H](C(=O)[N-]OCCCC(=O)[O-])c1ccc(F)cc1 ZINC001599028509 999033355 /nfs/dbraw/zinc/03/33/55/999033355.db2.gz NGFCMHKZOUFYFY-GFCCVEGCSA-N -2 0 285.271 1.426 20 0 CDADRL C[C@@H]1CCCN(Cc2cc(C(=O)[O-])no2)[C@H]1C(=O)[O-] ZINC001594384244 999454652 /nfs/dbraw/zinc/45/46/52/999454652.db2.gz PKLGJWFXTJTTEO-GMSGAONNSA-N -2 0 268.269 1.058 20 0 CDADRL CCC1(NS(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000229471339 346553535 /nfs/dbraw/zinc/55/35/35/346553535.db2.gz ZNSYBSWMVDCHQV-UHFFFAOYSA-N -2 0 273.310 1.589 20 0 CDADRL O=C([O-])c1cccnc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000622164693 351046543 /nfs/dbraw/zinc/04/65/43/351046543.db2.gz JHNXJVQEOFWMKM-MRVPVSSYSA-N -2 0 250.254 1.081 20 0 CDADRL C[C@H]1CN(c2ncc(C(=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000629768128 363420983 /nfs/dbraw/zinc/42/09/83/363420983.db2.gz GAJQRVJFWIHABE-IONNQARKSA-N -2 0 298.726 1.980 20 0 CDADRL O=C([O-])COCCN=c1nc(C2CCCCC2)[n-]s1 ZINC000634965020 360569210 /nfs/dbraw/zinc/56/92/10/360569210.db2.gz WZGIERBAJQHXOU-UHFFFAOYSA-N -2 0 285.369 1.521 20 0 CDADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccnc1 ZINC000019472937 361643631 /nfs/dbraw/zinc/64/36/31/361643631.db2.gz AVVXYUCGQWDJMD-UHFFFAOYSA-N -2 0 278.289 1.581 20 0 CDADRL CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000417379207 376005969 /nfs/dbraw/zinc/00/59/69/376005969.db2.gz GEMQJLIRMZXIRS-UJNFCWOMSA-N -2 0 271.313 1.055 20 0 CDADRL CC(C)C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000262124042 190048775 /nfs/dbraw/zinc/04/87/75/190048775.db2.gz VYTQOJJSFXZVME-NSHDSACASA-N -2 0 279.292 1.614 20 0 CDADRL O=C([O-])CCCCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000655539061 412949112 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Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)on1 ZINC000019409494 170788654 /nfs/dbraw/zinc/78/86/54/170788654.db2.gz GKFZNRUICIENRZ-UHFFFAOYSA-N -2 0 282.277 1.482 20 0 CDADRL CCN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000659771794 414098234 /nfs/dbraw/zinc/09/82/34/414098234.db2.gz VQVXWKFGOQUUKA-QMMMGPOBSA-N -2 0 265.265 1.320 20 0 CDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000037730463 173649734 /nfs/dbraw/zinc/64/97/34/173649734.db2.gz FMSDBXCUOBZFKS-UHFFFAOYSA-N -2 0 299.283 1.356 20 0 CDADRL CC(C)C[C@H](Nc1ccc(-c2nn[nH]n2)nc1)C(=O)[O-] ZINC001589660471 1173164523 /nfs/dbraw/zinc/16/45/23/1173164523.db2.gz UGJHBXSQLNROQH-JTQLQIEISA-N -2 0 276.300 1.173 20 0 CDADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000663020358 424612172 /nfs/dbraw/zinc/61/21/72/424612172.db2.gz AEFRPJDLVWYVDP-HNNXBMFYSA-N -2 0 291.303 1.753 20 0 CDADRL CC(C)=CCNS(=O)(=O)c1csnc1C(=O)[O-] ZINC000571162078 294379510 /nfs/dbraw/zinc/37/95/10/294379510.db2.gz BHHOFKGXWPKPOZ-UHFFFAOYSA-N -2 0 276.339 1.086 20 0 CDADRL CC(C)[C@H](C(=O)[O-])C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000574638519 295031881 /nfs/dbraw/zinc/03/18/81/295031881.db2.gz WPYQBGDTXSHREG-PKFCDNJMSA-N -2 0 283.324 1.057 20 0 CDADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000577730056 317390505 /nfs/dbraw/zinc/39/05/05/317390505.db2.gz INLJUXMGNWIQQW-SNVBAGLBSA-N -2 0 265.265 1.680 20 0 CDADRL CCC[C@@H](Oc1[nH]c(=O)nc2cn[n-]c21)C(C)C ZINC001233939054 1161099175 /nfs/dbraw/zinc/09/91/75/1161099175.db2.gz GQLJIMSDPNJDNV-SECBINFHSA-N -2 0 250.302 1.850 20 0 CDADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nnc1C ZINC001600284213 1174437751 /nfs/dbraw/zinc/43/77/51/1174437751.db2.gz XUVQZBWSKGCTSA-UHFFFAOYSA-N -2 0 297.292 1.185 20 0 CDADRL Cc1ncc(S(=O)(=O)[N-]c2ccsc2)cc1C(=O)[O-] ZINC001600747574 1174589468 /nfs/dbraw/zinc/58/94/68/1174589468.db2.gz QXCZWLMWRXAEDI-UHFFFAOYSA-N -2 0 298.345 1.951 20 0 CDADRL CCC/C(C)=C/C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000736958626 575776677 /nfs/dbraw/zinc/77/66/77/575776677.db2.gz GVBBZZIXEFSABC-CMDGGOBGSA-N -2 0 277.342 1.044 20 0 CDADRL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1 ZINC000820272788 597828884 /nfs/dbraw/zinc/82/88/84/597828884.db2.gz LDYJIPPEDGFLSO-QMMMGPOBSA-N -2 0 285.321 1.243 20 0 CDADRL O=C([O-])[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000019390111 600036538 /nfs/dbraw/zinc/03/65/38/600036538.db2.gz YBICJSRYHCZZSF-SECBINFHSA-N -2 0 283.711 1.982 20 0 CDADRL Cc1cnccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000111043344 600520204 /nfs/dbraw/zinc/52/02/04/600520204.db2.gz YKNMJSINLDHPKM-UHFFFAOYSA-N -2 0 298.345 1.951 20 0 CDADRL Cc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832979642 601830370 /nfs/dbraw/zinc/83/03/70/601830370.db2.gz SYOKDWJOZDHYIP-UHFFFAOYSA-N -2 0 298.345 1.951 20 0 CDADRL CCCO[N-]C(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000907850984 627858108 /nfs/dbraw/zinc/85/81/08/627858108.db2.gz PUUKBONQUANFCS-RISCZKNCSA-N -2 0 263.293 1.703 20 0 CDADRL 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O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cc(F)cc(F)c1O ZINC001574769363 957749918 /nfs/dbraw/zinc/74/99/18/957749918.db2.gz RAPMSQXLSVGULV-RNFRBKRXSA-N -2 0 271.219 1.720 20 0 CDADRL Cc1ccc(NC(=O)CCC(=O)[O-])c(C(=O)[O-])c1 ZINC000082265392 957788321 /nfs/dbraw/zinc/78/83/21/957788321.db2.gz BKQKBMGHNFDOPT-UHFFFAOYSA-N -2 0 251.238 1.497 20 0 CDADRL CON(C(=O)c1c([O-])cccc1F)[C@H](C)C(=O)[O-] ZINC001594038152 957835388 /nfs/dbraw/zinc/83/53/88/957835388.db2.gz TYLZRQFUGIUQDW-ZCFIWIBFSA-N -2 0 257.217 1.008 20 0 CDADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)c(F)c1 ZINC000092114173 958155849 /nfs/dbraw/zinc/15/58/49/958155849.db2.gz VIXASZSLWXSUMK-UHFFFAOYSA-N -2 0 285.256 1.048 20 0 CDADRL CC[C@@](C)([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000094220906 958267906 /nfs/dbraw/zinc/26/79/06/958267906.db2.gz OTMNXSRSYNAVIY-LLVKDONJSA-N -2 0 293.291 1.496 20 0 CDADRL Cc1cc(C(=O)[O-])ccc1NC(=O)CCCc1nnn[n-]1 ZINC001571036114 960534466 /nfs/dbraw/zinc/53/44/66/960534466.db2.gz UPDJYNVOHXUDMX-UHFFFAOYSA-N 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CO[C@H](C)c1nc(=NC(=O)c2c([O-])cccc2F)s[n-]1 ZINC000436732556 361567139 /nfs/dbraw/zinc/56/71/39/361567139.db2.gz UVIANZVPEVNSAT-ZCFIWIBFSA-N -2 0 297.311 1.764 20 0 CDADRL Cc1cc(=NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)[n-]nc1C ZINC000422540041 245099464 /nfs/dbraw/zinc/09/94/64/245099464.db2.gz LDKPFUAPCFLRQX-KWQFWETISA-N -2 0 292.339 1.090 20 0 CDADRL Cc1cc(C(=O)Nc2ccccn2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531282272 412823064 /nfs/dbraw/zinc/82/30/64/412823064.db2.gz DOBVSQBBEYHEGY-UHFFFAOYSA-N -2 0 297.274 1.392 20 0 CDADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000037730431 374595203 /nfs/dbraw/zinc/59/52/03/374595203.db2.gz WXPYZRRZZFRWND-UHFFFAOYSA-N -2 0 281.293 1.217 20 0 CDADRL O=C([O-])c1cccc(C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000262121405 304257170 /nfs/dbraw/zinc/25/71/70/304257170.db2.gz VRFLHCPSGVXIOH-UHFFFAOYSA-N -2 0 291.303 1.758 20 0 CDADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC000647262049 390851964 /nfs/dbraw/zinc/85/19/64/390851964.db2.gz 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293775341 /nfs/dbraw/zinc/77/53/41/293775341.db2.gz CDAVQNCZERDNJO-NSHDSACASA-N -2 0 275.308 1.895 20 0 CDADRL O=C([O-])[C@H]1CC[C@@H](N=c2[n-]c(C3CCOCC3)no2)C1 ZINC000571449028 294439167 /nfs/dbraw/zinc/43/91/67/294439167.db2.gz IFDBXVKHIRQLNG-VHSXEESVSA-N -2 0 281.312 1.051 20 0 CDADRL CC(C)[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000577730194 317390435 /nfs/dbraw/zinc/39/04/35/317390435.db2.gz KTUPKSGQDBZSBZ-ONGXEEELSA-N -2 0 271.313 1.057 20 0 CDADRL COCc1n[n-]c(=NC[C@H](C(=O)[O-])c2ccccc2)s1 ZINC000579359784 324167794 /nfs/dbraw/zinc/16/77/94/324167794.db2.gz UBASJIIRZYMEGV-JTQLQIEISA-N -2 0 293.348 1.387 20 0 CDADRL Cc1n[nH]cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001600362471 1174453928 /nfs/dbraw/zinc/45/39/28/1174453928.db2.gz GDZWCNNQMRNOOS-UHFFFAOYSA-N -2 0 295.320 1.526 20 0 CDADRL Cc1nc(N2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1C(=O)[O-] ZINC001600708197 1174575078 /nfs/dbraw/zinc/57/50/78/1174575078.db2.gz IVEFONBOUCLXEH-SCZZXKLOSA-N -2 0 278.308 1.635 20 0 CDADRL Cc1nc(NC2(CC(=O)[O-])CCC2)ccc1C(=O)[O-] ZINC001600714054 1174577295 /nfs/dbraw/zinc/57/72/95/1174577295.db2.gz HRGVPRRVDMVGDO-UHFFFAOYSA-N -2 0 264.281 1.898 20 0 CDADRL O=C([O-])Cn1ccc(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000739920118 576398186 /nfs/dbraw/zinc/39/81/86/576398186.db2.gz XUAVHVZNDSKPKC-UHFFFAOYSA-N -2 0 297.217 1.204 20 0 CDADRL O=C([O-])[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1[O-] ZINC001601815401 1175021359 /nfs/dbraw/zinc/02/13/59/1175021359.db2.gz AGYBIMFZUBJCGW-JTQLQIEISA-N -2 0 299.348 1.410 20 0 CDADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC001601949390 1175081765 /nfs/dbraw/zinc/08/17/65/1175081765.db2.gz UKHZIRLFTJXBBA-MRVPVSSYSA-N -2 0 297.332 1.916 20 0 CDADRL O=C([O-])CCC(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC001601969630 1175091341 /nfs/dbraw/zinc/09/13/41/1175091341.db2.gz AXZXARSJRXTPMG-LLVKDONJSA-N -2 0 279.292 1.574 20 0 CDADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccn1 ZINC000092349023 600828915 /nfs/dbraw/zinc/82/89/15/600828915.db2.gz 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YHQSRPPHTXFSIS-CMPLNLGQSA-N -2 0 293.319 1.299 20 0 CDADRL Cc1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)ccc1C(=O)[O-] ZINC000582514637 324990587 /nfs/dbraw/zinc/99/05/87/324990587.db2.gz NNBJSZGYGCOVBH-WDEREUQCSA-N -2 0 293.275 1.264 20 0 CDADRL O=C([O-])CCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000655537986 482639764 /nfs/dbraw/zinc/63/97/64/482639764.db2.gz MMGTVKJMXYTYOH-UTUOFQBUSA-N -2 0 297.351 1.876 20 0 CDADRL Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)[O-])c1 ZINC001600534891 1174499436 /nfs/dbraw/zinc/49/94/36/1174499436.db2.gz WKJVXMWSWHMHNG-JTQLQIEISA-N -2 0 299.348 1.052 20 0 CDADRL O=C([O-])CSCc1cccc(NC(=O)c2cn[nH]n2)c1 ZINC000739871861 574505010 /nfs/dbraw/zinc/50/50/10/574505010.db2.gz OGCPMNZNCOHPIP-UHFFFAOYSA-N -2 0 292.320 1.375 20 0 CDADRL O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cccc(Cl)c1[O-] ZINC001601755981 1174990498 /nfs/dbraw/zinc/99/04/98/1174990498.db2.gz AGVSKQRYVXKQAE-VHSXEESVSA-N -2 0 299.710 1.096 20 0 CDADRL O=C([O-])C1CC2(C1)CN(c1ncccc1F)C[C@@H]2C(=O)[O-] ZINC001601780867 1175004434 /nfs/dbraw/zinc/00/44/34/1175004434.db2.gz MBRVGVHHFFURGV-ZYTOWTHASA-N -2 0 294.282 1.223 20 0 CDADRL O=C([O-])CCCCN1c2ccccc2C([O-])=CS1(=O)=O ZINC001601987678 1175099189 /nfs/dbraw/zinc/09/91/89/1175099189.db2.gz LFLVIRJMKSDQOL-UHFFFAOYSA-N -2 0 297.332 1.274 20 0 CDADRL O=C([O-])CCCO[N-]C(=O)CSc1ccncc1 ZINC001601995289 1175105128 /nfs/dbraw/zinc/10/51/28/1175105128.db2.gz OFVVKFPDGCFBRY-UHFFFAOYSA-N -2 0 270.310 1.086 20 0 CDADRL O=C([O-])[C@@H]1C[C@@H]1c1nc(-c2ccc(O)cc2F)no1 ZINC001602194565 1175158496 /nfs/dbraw/zinc/15/84/96/1175158496.db2.gz YEWMFMPJPCEFNE-JGVFFNPUSA-N -2 0 264.212 1.769 20 0 CDADRL O=C([O-])C1CCC(NC(=O)CC2(C(=O)[O-])CCCC2)CC1 ZINC000821374797 598133122 /nfs/dbraw/zinc/13/31/22/598133122.db2.gz SVDWRHLILAGUEG-UHFFFAOYSA-N -2 0 297.351 1.781 20 0 CDADRL CC(C)(CC(=O)NCc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000819940603 598181358 /nfs/dbraw/zinc/18/13/58/598181358.db2.gz UGXSYEPOUSDUII-UHFFFAOYSA-N -2 0 279.292 1.502 20 0 CDADRL CN(CCC(=O)[O-])C(=O)c1cccc(Cl)c1[O-] ZINC000820585990 598184530 /nfs/dbraw/zinc/18/45/30/598184530.db2.gz JMMRJOSGUPVRHC-UHFFFAOYSA-N -2 0 257.673 1.592 20 0 CDADRL O=C([O-])[C@H]1CN(C(=O)c2ncccc2[O-])c2ccccc21 ZINC000131987170 600364887 /nfs/dbraw/zinc/36/48/87/600364887.db2.gz FBMPVLSIHSWGGT-JTQLQIEISA-N -2 0 284.271 1.616 20 0 CDADRL Cc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(=O)[O-] ZINC000019993662 600829143 /nfs/dbraw/zinc/82/91/43/600829143.db2.gz DYQQKTFZTKIVSB-UHFFFAOYSA-N -2 0 292.316 1.889 20 0 CDADRL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC000826009383 601206536 /nfs/dbraw/zinc/20/65/36/601206536.db2.gz XNLPDEWKSWHMMH-QMMMGPOBSA-N -2 0 297.332 1.236 20 0 CDADRL O=C([O-])C[C@@H](NC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000833199308 601563166 /nfs/dbraw/zinc/56/31/66/601563166.db2.gz QNLLGEPKOYSHRG-SECBINFHSA-N -2 0 285.246 1.654 20 0 CDADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1(C(=O)[O-])CC1 ZINC000833696443 605285728 /nfs/dbraw/zinc/28/57/28/605285728.db2.gz MKBSIFGUNQQOPM-UHFFFAOYSA-N -2 0 277.276 1.208 20 0 CDADRL CC1(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1 ZINC000907729673 627811045 /nfs/dbraw/zinc/81/10/45/627811045.db2.gz DUHDYKTWXGWNDR-VHSXEESVSA-N -2 0 283.324 1.343 20 0 CDADRL CC(C)(C)CCC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC000910187567 628901041 /nfs/dbraw/zinc/90/10/41/628901041.db2.gz FNMISPOHBJUBNF-ZJUUUORDSA-N -2 0 285.340 1.589 20 0 CDADRL Cc1[n-]n(-c2ncc(F)cc2F)c(=O)c1CC(=O)[O-] ZINC001604616544 1163250716 /nfs/dbraw/zinc/25/07/16/1163250716.db2.gz XNMQMVHTOXIORM-SSDOTTSWSA-N -2 0 269.207 1.173 20 0 CDADRL Cc1[n-]n(-c2ncc(F)cc2F)c(=O)c1CC(=O)[O-] ZINC001604616546 1163251369 /nfs/dbraw/zinc/25/13/69/1163251369.db2.gz XNMQMVHTOXIORM-ZETCQYMHSA-N -2 0 269.207 1.173 20 0 CDADRL C[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])s2)C[C@@H]1C(=O)[O-] ZINC001604749707 1163308262 /nfs/dbraw/zinc/30/82/62/1163308262.db2.gz VORLPWCZJDJPLO-SFYZADRCSA-N -2 0 297.332 1.629 20 0 CDADRL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001604957007 1163397043 /nfs/dbraw/zinc/39/70/43/1163397043.db2.gz VBENYVDBQHBRHH-UWVGGRQHSA-N -2 0 293.385 1.512 20 0 CDADRL COc1ccc(NC(=O)CCCC(=O)[O-])c(C(=O)[O-])c1 ZINC001607271351 1164136912 /nfs/dbraw/zinc/13/69/12/1164136912.db2.gz NTHVVHONFASNBU-UHFFFAOYSA-N -2 0 281.264 1.587 20 0 CDADRL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1c(F)ccc(O)c1F)C2 ZINC001608493457 1164528046 /nfs/dbraw/zinc/52/80/46/1164528046.db2.gz UZTIYGUYTBKSIU-DHDZUQTRSA-N -2 0 297.257 1.654 20 0 CDADRL O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@@](F)(C(=O)[O-])C2)o1 ZINC001608878829 1164671304 /nfs/dbraw/zinc/67/13/04/1164671304.db2.gz YLTIWSBFKKNLDZ-LSYFEZSPSA-N -2 0 297.238 1.016 20 0 CDADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC001610863745 1165466470 /nfs/dbraw/zinc/46/64/70/1165466470.db2.gz GINRLZOONMUZHB-UHFFFAOYSA-N -2 0 296.279 1.720 20 0 CDADRL C[C@@H](CC(=O)[O-])Nc1ccc(Cl)cc1-c1nn[nH]n1 ZINC000095224595 1166611136 /nfs/dbraw/zinc/61/11/36/1166611136.db2.gz JFWBAYREDZEWBU-LURJTMIESA-N -2 0 281.703 1.795 20 0 CDADRL Cc1n[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1[O-] ZINC001600666039 1174554326 /nfs/dbraw/zinc/55/43/26/1174554326.db2.gz UECLOFQONDHUKS-ZETCQYMHSA-N -2 0 295.320 1.431 20 0 CDADRL O=C([O-])[C@H](CC1CC1)NC(=O)c1c([O-])cc(F)cc1F ZINC001601407693 1174859936 /nfs/dbraw/zinc/85/99/36/1174859936.db2.gz MWTUTKOZXFNBII-VIFPVBQESA-N -2 0 285.246 1.654 20 0 CDADRL O=C([O-])c1n[nH]cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001601580541 1174906888 /nfs/dbraw/zinc/90/68/88/1174906888.db2.gz BISXCHGYJZAKTC-UHFFFAOYSA-N -2 0 299.645 1.858 20 0 CDADRL O=C([O-])[C@@H](CNS(=O)(=O)c1ccccc1[O-])CC1CC1 ZINC001601654968 1174932232 /nfs/dbraw/zinc/93/22/32/1174932232.db2.gz HHIDTYDAUCFKPE-SNVBAGLBSA-N -2 0 299.348 1.171 20 0 CDADRL O=C([O-])Cc1c[n-]n(Cc2ccccc2F)c1=O ZINC001601942387 1175076357 /nfs/dbraw/zinc/07/63/57/1175076357.db2.gz ZSONMLXISAMMEQ-SECBINFHSA-N -2 0 250.229 1.245 20 0 CDADRL O=C([O-])C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)c2ccccc21 ZINC001601961737 1175088775 /nfs/dbraw/zinc/08/87/75/1175088775.db2.gz LFUSKEXZNNNXIC-MRVPVSSYSA-N -2 0 274.280 1.089 20 0 CDADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)/C=C\C1CCCC1 ZINC001601999080 1175107206 /nfs/dbraw/zinc/10/72/06/1175107206.db2.gz SOKSVKAFPJYTGO-FPLPWBNLSA-N -2 0 289.353 1.044 20 0 CDADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC001602274212 1175190835 /nfs/dbraw/zinc/19/08/35/1175190835.db2.gz KJGKVMZHEWUMQU-UHFFFAOYSA-N -2 0 296.279 1.720 20 0 CDADRL O=C([O-])c1cncc(-c2cncc(C3(C(=O)[O-])CC3)c2)c1 ZINC001602534465 1175276223 /nfs/dbraw/zinc/27/62/23/1175276223.db2.gz CEJVWEJDDYFRSG-UHFFFAOYSA-N -2 0 284.271 1.958 20 0 CDADRL Cc1coc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000126873916 1175515728 /nfs/dbraw/zinc/51/57/28/1175515728.db2.gz BVCRIEUXQMUJAZ-UHFFFAOYSA-N -2 0 282.277 1.482 20 0 CDADRL CC(C)Cc1nsc(N(CCC(=O)[O-])CC(=O)[O-])n1 ZINC001603853820 1175655012 /nfs/dbraw/zinc/65/50/12/1175655012.db2.gz UFRWBNSTARREJK-UHFFFAOYSA-N -2 0 287.341 1.102 20 0 CDADRL O=C([O-])[C@H](CF)NC(=O)c1cccc(C(F)(F)F)c1[O-] ZINC001608398539 1164507005 /nfs/dbraw/zinc/50/70/05/1164507005.db2.gz FVBJNJFNPAXPOS-ZETCQYMHSA-N -2 0 295.188 1.564 20 0 CDADRL CC(C)C[C@H](C)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001609692179 1165042953 /nfs/dbraw/zinc/04/29/53/1165042953.db2.gz JARUTHMMTSGBGP-AEJSXWLSSA-N -2 0 293.385 1.224 20 0 CDADRL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001609917517 1165144835 /nfs/dbraw/zinc/14/48/35/1165144835.db2.gz OFINGPXYYVWEOW-VIFPVBQESA-N -2 0 293.385 1.370 20 0 CDADRL CS(C)(=O)=NS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000821178192 773874188 /nfs/dbraw/zinc/87/41/88/773874188.db2.gz PUGFKEGQVPQGAR-UHFFFAOYSA-N -2 0 298.773 1.430 20 0 CDADRL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)c([O-])c2)C1 ZINC001604499268 1167858303 /nfs/dbraw/zinc/85/83/03/1167858303.db2.gz IEDDUKGGVHDTKC-CYBMUJFWSA-N -2 0 283.711 1.982 20 0 CDADRL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609964814 1167978617 /nfs/dbraw/zinc/97/86/17/1167978617.db2.gz MXYJEULWXPJQAQ-ZJUUUORDSA-N -2 0 293.385 1.512 20 0 CDADRL O=C([O-])c1cc(Nc2ccc(=O)[nH]c2)cc(C(=O)[O-])c1 ZINC001176237618 914002563 /nfs/dbraw/zinc/00/25/63/914002563.db2.gz XXTNWGWRZBERGF-UHFFFAOYSA-N -2 0 274.232 1.927 20 0 CDADRL CC[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(F)(F)F ZINC001573815023 983121267 /nfs/dbraw/zinc/12/12/67/983121267.db2.gz RYZPOWATTZESAY-ZCFIWIBFSA-N -2 0 277.264 1.112 20 0 CDADRL CCO/C=C\c1nccnc1NCCOP(=O)([O-])[O-] ZINC001168590222 919344810 /nfs/dbraw/zinc/34/48/10/919344810.db2.gz WLFPMGAWHYRIKN-CLTKARDFSA-N -2 0 289.228 1.005 20 0 CDADRL O=S(=O)([N-]c1ncc(O)cc1Cl)c1nccs1 ZINC001187862174 920703842 /nfs/dbraw/zinc/70/38/42/920703842.db2.gz FYVAWEZGERFSOD-UHFFFAOYSA-N -2 0 291.741 1.698 20 0 CDADRL O=S(=O)(Cc1cccnc1)[N-]c1ncc(F)cc1[O-] ZINC001197421454 925135591 /nfs/dbraw/zinc/13/55/91/925135591.db2.gz DKMPDWYKCVEORN-UHFFFAOYSA-N -2 0 283.284 1.263 20 0 CDADRL CC1(C)OC[C@@H](CNc2ccc(P(=O)([O-])[O-])cc2)O1 ZINC001169915177 928517489 /nfs/dbraw/zinc/51/74/89/928517489.db2.gz YBDCOSNNGUOFOL-SNVBAGLBSA-N -2 0 287.252 1.053 20 0 CDADRL Cc1cccc(NC(=O)NCCOP(=O)([O-])[O-])c1C ZINC001202708310 930494998 /nfs/dbraw/zinc/49/49/98/930494998.db2.gz BJCXIFPXTBMTTF-UHFFFAOYSA-N -2 0 288.240 1.534 20 0 CDADRL Cc1csc2cnc(NCCOP(=O)([O-])[O-])nc12 ZINC001157791038 938546321 /nfs/dbraw/zinc/54/63/21/938546321.db2.gz HGDZTQBAWWHNCW-UHFFFAOYSA-N -2 0 289.253 1.521 20 0 CDADRL C[C@H](Oc1[n-]c(=O)nc2ncn(C)c21)C1=CC=C[CH]1 ZINC001228674426 942353745 /nfs/dbraw/zinc/35/37/45/942353745.db2.gz NGBSDMQLEHDCIS-QMMMGPOBSA-N -2 0 257.273 1.537 20 0 CDADRL CC[C@H](COC)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234331645 943803946 /nfs/dbraw/zinc/80/39/46/943803946.db2.gz IRKJVXYIZLJWRX-SECBINFHSA-N -2 0 276.225 1.962 20 0 CDADRL COc1cncc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001239932338 945654244 /nfs/dbraw/zinc/65/42/44/945654244.db2.gz HUNSEGQNEYBPPK-UHFFFAOYSA-N -2 0 265.205 1.560 20 0 CDADRL O=P([O-])([O-])c1ccc(-c2ccc3n[nH]nc3c2)cc1 ZINC001241943522 946528744 /nfs/dbraw/zinc/52/87/44/946528744.db2.gz QYQSIYUCCRPXGB-UHFFFAOYSA-N -2 0 275.204 1.428 20 0 CDADRL CC(=O)N1CC=C(c2c(C(=O)[O-])cccc2C(=O)[O-])CC1 ZINC001241967930 946536316 /nfs/dbraw/zinc/53/63/16/946536316.db2.gz DMDUDXJROYEQTR-UHFFFAOYSA-N -2 0 289.287 1.719 20 0 CDADRL Cn1cnc2cnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)nc21 ZINC001242159690 946610951 /nfs/dbraw/zinc/61/09/51/946610951.db2.gz VJHDOTCERSFNMN-UHFFFAOYSA-N -2 0 298.258 1.427 20 0 CDADRL NC(=O)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242159234 946611408 /nfs/dbraw/zinc/61/14/08/946611408.db2.gz DUINSULKAUNQLR-UHFFFAOYSA-N -2 0 286.243 1.244 20 0 CDADRL CCn1nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1=O ZINC001242163276 946613392 /nfs/dbraw/zinc/61/33/92/946613392.db2.gz SSSDOJOKTVNMCJ-UHFFFAOYSA-N -2 0 288.259 1.327 20 0 CDADRL CCCN(CC(=O)[O-])C(=O)c1cc(F)cc(F)c1[O-] ZINC001589665790 949892725 /nfs/dbraw/zinc/89/27/25/949892725.db2.gz WBLUYAZBHHDDOZ-UHFFFAOYSA-N -2 0 273.235 1.607 20 0 CDADRL O=C([O-])[C@@H](CC(F)F)[N-]C(=O)C(F)(F)C(F)F ZINC000379866720 971663624 /nfs/dbraw/zinc/66/36/24/971663624.db2.gz NCVPKAVASQOLOK-UWTATZPHSA-N -2 0 267.125 1.111 20 0 CDADRL CC(C)S(=O)(=O)Nc1c([O-])cc(F)cc1F ZINC001252507604 951389772 /nfs/dbraw/zinc/38/97/72/951389772.db2.gz FZCJXSVVEWCZIE-UHFFFAOYSA-N -2 0 251.254 1.821 20 0 CDADRL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001589272486 953423985 /nfs/dbraw/zinc/42/39/85/953423985.db2.gz NVHIXRQAOLWODT-YUMQZZPRSA-N -2 0 299.273 1.853 20 0 CDADRL O=C([O-])[C@H](C(=O)[N-]OCCOc1ccccc1)C1CC1 ZINC001594835075 954019624 /nfs/dbraw/zinc/01/96/24/954019624.db2.gz BYXDJFBPIOFEEA-LBPRGKRZSA-N -2 0 279.292 1.224 20 0 CDADRL C[C@H](CNC(=O)CC1(CC(=O)[O-])CCCCC1)C(=O)[O-] ZINC001589043637 955599865 /nfs/dbraw/zinc/59/98/65/955599865.db2.gz HOQIGRPNODKKFY-SNVBAGLBSA-N -2 0 285.340 1.639 20 0 CDADRL O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])C[C@H]1C1CC1 ZINC001574776568 957763915 /nfs/dbraw/zinc/76/39/15/957763915.db2.gz BZPARPBBYGMCPR-NWDGAFQWSA-N -2 0 293.294 1.714 20 0 CDADRL O=C([O-])c1c[nH]nc1NC(=O)c1cccc(Cl)c1[O-] ZINC001574787077 957789770 /nfs/dbraw/zinc/78/97/70/957789770.db2.gz BRZIQXPQBCCBFI-UHFFFAOYSA-N -2 0 281.655 1.719 20 0 CDADRL Cc1csc(S(=O)(=O)[N-]c2ncccc2C(=O)[O-])c1 ZINC001594440878 959264080 /nfs/dbraw/zinc/26/40/80/959264080.db2.gz UIOBNZOLXPPBOJ-UHFFFAOYSA-N -2 0 298.345 1.951 20 0 CDADRL Cc1nc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1C(=O)[O-] ZINC001594446441 959335513 /nfs/dbraw/zinc/33/55/13/959335513.db2.gz RLNQWRLJDODKNP-UHFFFAOYSA-N -2 0 292.291 1.215 20 0 CDADRL CC(C)(C(=O)[O-])C(=O)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC001588618425 959529085 /nfs/dbraw/zinc/52/90/85/959529085.db2.gz JTJSBIHTPUGYIX-UHFFFAOYSA-N -2 0 291.263 1.079 20 0 CDADRL O=C([O-])CC1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000236420718 960572646 /nfs/dbraw/zinc/57/26/46/960572646.db2.gz DXMPJSMVEVPFKK-UHFFFAOYSA-N -2 0 281.283 1.858 20 0 CDADRL CC(C)(CC(=O)NCc1ccccc1C(=O)[O-])C(=O)[O-] ZINC001588754952 961218604 /nfs/dbraw/zinc/21/86/04/961218604.db2.gz RIBJCCPESODPNZ-UHFFFAOYSA-N -2 0 279.292 1.502 20 0 CDADRL Cc1cc(S(=O)(=O)[N-]c2cccnn2)ccc1C(=O)[O-] ZINC000312276961 963550465 /nfs/dbraw/zinc/55/04/65/963550465.db2.gz REQWSVHTQHXJTK-UHFFFAOYSA-N -2 0 293.304 1.284 20 0 CDADRL O=C([O-])Cn1cc(NC(=O)c2ccc(Cl)c([O-])c2)cn1 ZINC001595148389 970309479 /nfs/dbraw/zinc/30/94/79/970309479.db2.gz YYUNPMXTEAUIBL-UHFFFAOYSA-N -2 0 295.682 1.579 20 0 CDADRL COc1ccccc1CO[N-]C(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001604892717 974149439 /nfs/dbraw/zinc/14/94/39/974149439.db2.gz MHLJRDYIWZGIFI-LBPRGKRZSA-N -2 0 295.335 1.990 20 0 CDADRL C[C@@H](CC(=O)[O-])C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC001592361940 977852888 /nfs/dbraw/zinc/85/28/88/977852888.db2.gz MMRZKAHHTOQQIM-ZETCQYMHSA-N -2 0 290.279 1.227 20 0 CDADRL CCCC(CCC)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595587036 981537846 /nfs/dbraw/zinc/53/78/46/981537846.db2.gz YXGPSKDNSVKUDN-UHFFFAOYSA-N -2 0 279.358 1.124 20 0 CDADRL 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C[C@@H]1CCc2nnc(NCCOP(=O)([O-])[O-])cc2C1 ZINC001157796077 938546937 /nfs/dbraw/zinc/54/69/37/938546937.db2.gz VHKXWNCRZANXTM-MRVPVSSYSA-N -2 0 287.256 1.123 20 0 CDADRL O=C([O-])CCC(=O)CNc1nc[n-]c2nc(=S)sc1-2 ZINC001160874197 938835522 /nfs/dbraw/zinc/83/55/22/938835522.db2.gz HQEDFJFEXFAQKS-UHFFFAOYSA-N -2 0 298.349 1.221 20 0 CDADRL O=C1[N-]C(=O)[C@H](Nc2ccc3oc(=S)[n-]c3c2)S1 ZINC001163671639 939303099 /nfs/dbraw/zinc/30/30/99/939303099.db2.gz FPVYIOUERHUDIB-MRVPVSSYSA-N -2 0 281.318 1.838 20 0 CDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncc3cc[nH]c3n2)c1 ZINC001242159433 946611390 /nfs/dbraw/zinc/61/13/90/946611390.db2.gz KLCLDTBEHYEVAG-UHFFFAOYSA-N -2 0 283.243 1.973 20 0 CDADRL O=S(=O)(CC(F)(F)F)[N-]c1cc([O-])c(F)c(F)c1 ZINC001253189404 951787365 /nfs/dbraw/zinc/78/73/65/951787365.db2.gz SVXDTKSENRSKJR-UHFFFAOYSA-N -2 0 291.197 1.974 20 0 CDADRL CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC001602933972 971900862 /nfs/dbraw/zinc/90/08/62/971900862.db2.gz 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O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262689171 304255660 /nfs/dbraw/zinc/25/56/60/304255660.db2.gz VSSMEXNWGIWBDQ-LLVKDONJSA-N -2 0 277.276 1.464 20 0 CDADRL O=C([O-])c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000354178051 304257932 /nfs/dbraw/zinc/25/79/32/304257932.db2.gz SYEJBJNMFUSQHY-ZDUSSCGKSA-N -2 0 299.282 1.941 20 0 CDADRL CC(C)C[C@H](N=c1[n-]nc(C2CC2)s1)C(=O)[O-] ZINC000416397019 391293111 /nfs/dbraw/zinc/29/31/11/391293111.db2.gz HADOFZWZILMQHJ-QMMMGPOBSA-N -2 0 255.343 1.749 20 0 CDADRL O=C([O-])c1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)nc1 ZINC000647728908 391637803 /nfs/dbraw/zinc/63/78/03/391637803.db2.gz KBVNMXDGVARNHU-UHFFFAOYSA-N -2 0 292.291 1.153 20 0 CDADRL CC(C)(C)c1nc(=NCCc2nc(C(=O)[O-])cs2)[n-]o1 ZINC000567983881 392319352 /nfs/dbraw/zinc/31/93/52/392319352.db2.gz WVBMEAFMLZDDFK-UHFFFAOYSA-N -2 0 296.352 1.598 20 0 CDADRL CCCC[C@H](Nc1cnc(C(=O)[O-])cn1)C(=O)[O-] ZINC000263537449 140493808 /nfs/dbraw/zinc/49/38/08/140493808.db2.gz AGWVNBNOKWEEPA-ZETCQYMHSA-N -2 0 253.258 1.230 20 0 CDADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccco1 ZINC000358840356 158047446 /nfs/dbraw/zinc/04/74/46/158047446.db2.gz DUVLRGCRKDHXIQ-UHFFFAOYSA-N -2 0 297.288 1.787 20 0 CDADRL CCC(CC)(C(=O)[O-])C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000653280678 424343938 /nfs/dbraw/zinc/34/39/38/424343938.db2.gz DRIASMPKUDJFSP-NSHDSACASA-N -2 0 299.367 1.981 20 0 CDADRL COc1ccc(-c2noc(=NC[C@H](C)C(=O)[O-])[n-]2)cc1 ZINC000574326565 294983766 /nfs/dbraw/zinc/98/37/66/294983766.db2.gz CUEKAJQTXKTOOH-QMMMGPOBSA-N -2 0 277.280 1.300 20 0 CDADRL Cc1ccc(-c2cc(=NC(=O)[C@H](C)C(=O)[O-])[nH][n-]2)o1 ZINC000577373065 317316684 /nfs/dbraw/zinc/31/66/84/317316684.db2.gz HGHWAFSAZFJQLD-ZETCQYMHSA-N -2 0 263.253 1.059 20 0 CDADRL COCc1n[n-]c(=NC[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000579359787 324168097 /nfs/dbraw/zinc/16/80/97/324168097.db2.gz UBASJIIRZYMEGV-SNVBAGLBSA-N -2 0 293.348 1.387 20 0 CDADRL O=C([O-])c1cc(N2CCC(C(=O)[O-])CC2)ccn1 ZINC000096961158 482954418 /nfs/dbraw/zinc/95/44/18/482954418.db2.gz HJWGYFPLMNOYPZ-UHFFFAOYSA-N -2 0 250.254 1.081 20 0 CDADRL O=C(Nc1nc2ccccn2n1)c1c(F)ccc(O)c1F ZINC000685456769 483130592 /nfs/dbraw/zinc/13/05/92/483130592.db2.gz HUKNYBNIJGVYAH-UHFFFAOYSA-N -2 0 290.229 1.965 20 0 CDADRL Cc1cccc([C@H](CC(=O)[O-])NC(=O)CCC(=O)[O-])c1 ZINC001600514104 1174494296 /nfs/dbraw/zinc/49/42/96/1174494296.db2.gz DVKLHZVWOUTQSO-NSHDSACASA-N -2 0 279.292 1.492 20 0 CDADRL Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001600824754 1174630572 /nfs/dbraw/zinc/63/05/72/1174630572.db2.gz XVRGRDIRCZBMGC-SECBINFHSA-N -2 0 295.291 1.613 20 0 CDADRL O=C([O-])CCCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000739678029 576277131 /nfs/dbraw/zinc/27/71/31/576277131.db2.gz STDZLSJKPDGYRF-UHFFFAOYSA-N -2 0 280.305 1.711 20 0 CDADRL O=C([O-])C[C@H](CNC(=O)[C@H](C(=O)[O-])C1CCCC1)C1CC1 ZINC001601894919 1175056001 /nfs/dbraw/zinc/05/60/01/1175056001.db2.gz YPZGSPMXUMYSTE-DGCLKSJQSA-N -2 0 297.351 1.495 20 0 CDADRL O=C([O-])c1ccc(CNC(=O)C2(C(=O)[O-])CCC2)c(F)c1 ZINC001602339948 1175214029 /nfs/dbraw/zinc/21/40/29/1175214029.db2.gz QIHRBXZQYXOIEK-UHFFFAOYSA-N -2 0 295.266 1.395 20 0 CDADRL O=C([O-])[C@@H]1CN(C(=O)c2ncccc2[O-])c2ccccc21 ZINC000131986976 600364977 /nfs/dbraw/zinc/36/49/77/600364977.db2.gz FBMPVLSIHSWGGT-SNVBAGLBSA-N -2 0 284.271 1.616 20 0 CDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000826061382 604370554 /nfs/dbraw/zinc/37/05/54/604370554.db2.gz ONWHHGVYSSKRHG-SSDOTTSWSA-N -2 0 266.253 1.322 20 0 CDADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cn1 ZINC000164597655 604402060 /nfs/dbraw/zinc/40/20/60/604402060.db2.gz SDAOTLCOJOBNET-UHFFFAOYSA-N -2 0 282.277 1.482 20 0 CDADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cn1 ZINC000164604391 604403585 /nfs/dbraw/zinc/40/35/85/604403585.db2.gz ZBWUXCSIMFMWAQ-UHFFFAOYSA-N -2 0 295.320 1.228 20 0 CDADRL CC(C)(CCC(=O)[O-])NC(=O)c1cccc(C(=O)[O-])c1 ZINC000261989751 604493548 /nfs/dbraw/zinc/49/35/48/604493548.db2.gz DSKUDJNDTQCCHC-UHFFFAOYSA-N -2 0 279.292 1.758 20 0 CDADRL CC(C)N(CCC(=O)[O-])C(=O)c1cc(F)c([O-])c(F)c1 ZINC000833497133 605778772 /nfs/dbraw/zinc/77/87/72/605778772.db2.gz OZACXCHQFUGFOC-UHFFFAOYSA-N -2 0 287.262 1.996 20 0 CDADRL O=C([O-])C[C@@H]1CCCN(c2ncccc2C(=O)[O-])CC1 ZINC000843037824 618690731 /nfs/dbraw/zinc/69/07/31/618690731.db2.gz YNUPFZQCYALANR-SNVBAGLBSA-N -2 0 278.308 1.861 20 0 CDADRL CCC1(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])CC1 ZINC000863964640 620883770 /nfs/dbraw/zinc/88/37/70/620883770.db2.gz YNOVINJCUOLOGT-UHFFFAOYSA-N -2 0 277.342 1.020 20 0 CDADRL C[C@H](C(=O)[O-])N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000908988425 628458243 /nfs/dbraw/zinc/45/82/43/628458243.db2.gz VVZHMNRLEICKMA-RXMQYKEDSA-N -2 0 275.663 1.730 20 0 CDADRL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(F)c([O-])c(Cl)c1 ZINC000909995737 628806194 /nfs/dbraw/zinc/80/61/94/628806194.db2.gz QKFRTEFKWRXRPV-LJGSYFOKSA-N -2 0 287.674 1.778 20 0 CDADRL CCC(CC)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910187053 628900293 /nfs/dbraw/zinc/90/02/93/628900293.db2.gz YNAUHXNAHJQSOD-VHSXEESVSA-N -2 0 271.313 1.199 20 0 CDADRL C[C@H](CC(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])C1CC1 ZINC000910187288 628900466 /nfs/dbraw/zinc/90/04/66/628900466.db2.gz CHUAFRSSZZLPRO-MIMYLULJSA-N -2 0 283.324 1.199 20 0 CDADRL O=C([O-])C1(CNC(=O)c2cccc(F)c2[O-])CC1 ZINC001608425924 1164514281 /nfs/dbraw/zinc/51/42/81/1164514281.db2.gz FAIVDNDSLUXKGQ-UHFFFAOYSA-N -2 0 253.229 1.126 20 0 CDADRL O=C([O-])CCCCNC(=O)NCc1ccc(C(=O)[O-])o1 ZINC001608713041 1164614931 /nfs/dbraw/zinc/61/49/31/1164614931.db2.gz QUQGOGDGWJYOAE-UHFFFAOYSA-N -2 0 284.268 1.032 20 0 CDADRL O=C([O-])CCSCc1cccc(NC(=O)C(=O)[O-])c1 ZINC001610776361 1165438920 /nfs/dbraw/zinc/43/89/20/1165438920.db2.gz CKUNVSMDACXOJN-UHFFFAOYSA-N -2 0 283.305 1.418 20 0 CDADRL Cc1conc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600645454 1174550031 /nfs/dbraw/zinc/55/00/31/1174550031.db2.gz OBJXSXKLLQRBBB-UHFFFAOYSA-N -2 0 272.238 1.075 20 0 CDADRL Cc1n[nH]c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC001600665158 1174554258 /nfs/dbraw/zinc/55/42/58/1174554258.db2.gz BDAMVSWKDSRDPU-JTQLQIEISA-N -2 0 289.291 1.022 20 0 CDADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1(C(=O)[O-])CCC1 ZINC001601659668 1174934244 /nfs/dbraw/zinc/93/42/44/1174934244.db2.gz RUFAEPJDMJGVPQ-LLVKDONJSA-N -2 0 291.303 1.053 20 0 CDADRL O=C([O-])C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)C1CC1 ZINC001601904052 1175058621 /nfs/dbraw/zinc/05/86/21/1175058621.db2.gz QIXHHKIKGPQQHL-SNVBAGLBSA-N -2 0 285.246 1.654 20 0 CDADRL O=C([O-])Cc1c[n-]n(-c2ncccc2C(F)(F)F)c1=O ZINC001601940057 1175076476 /nfs/dbraw/zinc/07/64/76/1175076476.db2.gz IUXGMQDHWCWHHR-ZCFIWIBFSA-N -2 0 287.197 1.524 20 0 CDADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC001602028681 1175113754 /nfs/dbraw/zinc/11/37/54/1175113754.db2.gz XQFXMQYZNNKLKP-UHFFFAOYSA-N -2 0 291.369 1.268 20 0 CDADRL O=C([O-])c1csc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001602562636 1175298251 /nfs/dbraw/zinc/29/82/51/1175298251.db2.gz DIYPDKQZXFRVHR-SSDOTTSWSA-N -2 0 298.320 1.775 20 0 CDADRL C/C(=C\CNc1ncc(C(=O)[O-])cc1Cl)C(=O)[O-] ZINC001602974371 1175469491 /nfs/dbraw/zinc/46/94/91/1175469491.db2.gz BXVSOSFXNFYHSA-QHHAFSJGSA-N -2 0 270.672 1.876 20 0 CDADRL CC(C)(CNC(=O)[C@@H](C(=O)[O-])C1CCCC1)CC(=O)[O-] ZINC001603620193 1175580578 /nfs/dbraw/zinc/58/05/78/1175580578.db2.gz AGPZGBFRZTYBOC-NSHDSACASA-N -2 0 285.340 1.495 20 0 CDADRL Cc1oc(C)c(C(=O)N(CCC(=O)[O-])CC(=O)[O-])c1C ZINC001608041414 1164391587 /nfs/dbraw/zinc/39/15/87/1164391587.db2.gz HLOQHGMEPREDBM-UHFFFAOYSA-N -2 0 283.280 1.206 20 0 CDADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cccc(F)c1[O-] ZINC001608703766 1164611756 /nfs/dbraw/zinc/61/17/56/1164611756.db2.gz OPPGDMGWZLEBFS-MRVPVSSYSA-N -2 0 299.323 1.564 20 0 CDADRL O=C([O-])CCCO[N-]C(=O)COCC1CCCC1 ZINC001608716601 1164619180 /nfs/dbraw/zinc/61/91/80/1164619180.db2.gz VYOMCRAJIYIYOX-UHFFFAOYSA-N -2 0 259.302 1.106 20 0 CDADRL C[C@](CNC(=O)CCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001609744787 1165064157 /nfs/dbraw/zinc/06/41/57/1165064157.db2.gz WKBHTSGUCRIWCF-OAHLLOKOSA-N -2 0 293.319 1.400 20 0 CDADRL CC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609899082 1165137852 /nfs/dbraw/zinc/13/78/52/1165137852.db2.gz BHTRJJWPLSNHMN-SECBINFHSA-N -2 0 299.348 1.377 20 0 CDADRL Cc1c(C(=O)[O-])csc1NC(=O)C1=C([O-])C(C)N=N1 ZINC001610547571 1165350250 /nfs/dbraw/zinc/35/02/50/1165350250.db2.gz FGFCVGOEFQGWMS-UHFFFAOYSA-N -2 0 281.293 1.744 20 0 CDADRL Cn1c[nH+]cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239004 914001923 /nfs/dbraw/zinc/00/19/23/914001923.db2.gz NLOYJSYFTLRKLR-UHFFFAOYSA-N -2 0 261.237 1.560 20 0 CDADRL CC(C)O[N-]C(=O)C1(C(=O)[N-]OC(C)C)CCC1 ZINC000836798029 899412721 /nfs/dbraw/zinc/41/27/21/899412721.db2.gz GESUNEOHFIHHLX-UHFFFAOYSA-N -2 0 258.318 1.069 20 0 CDADRL Nc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cn1 ZINC001236312258 914945374 /nfs/dbraw/zinc/94/53/74/914945374.db2.gz LHZKCBUBEXGDCT-UHFFFAOYSA-N -2 0 258.233 1.727 20 0 CDADRL O=P([O-])([O-])OCCNc1ncc2ccsc2n1 ZINC001168587152 919334585 /nfs/dbraw/zinc/33/45/85/919334585.db2.gz OZHPFMRLIPKPSO-UHFFFAOYSA-N -2 0 275.226 1.213 20 0 CDADRL CSc1ccc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001168588170 919337655 /nfs/dbraw/zinc/33/76/55/919337655.db2.gz ZUVUSUNXORCCCR-UHFFFAOYSA-N -2 0 298.688 1.978 20 0 CDADRL O=P([O-])([O-])OCCNc1ncnc2c1CCCCC2 ZINC001168589043 919343672 /nfs/dbraw/zinc/34/36/72/919343672.db2.gz BSVPWMOVSUELTB-UHFFFAOYSA-N -2 0 287.256 1.267 20 0 CDADRL O=P([O-])([O-])OCCNc1cc(Cl)ncc1Cl ZINC001168596327 919376757 /nfs/dbraw/zinc/37/67/57/919376757.db2.gz TYQJACHECYCNNA-UHFFFAOYSA-N -2 0 287.039 1.910 20 0 CDADRL Cc1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000395194325 936692671 /nfs/dbraw/zinc/69/26/71/936692671.db2.gz BVNJVUOIUKBMKC-UHFFFAOYSA-N -2 0 299.333 1.346 20 0 CDADRL COc1nc(Cl)ccc1S(=O)(=O)N[C@H]1[CH]CC=C1 ZINC001198730502 925504617 /nfs/dbraw/zinc/50/46/17/925504617.db2.gz MFXCMUNAVWLYCZ-MRVPVSSYSA-N -2 0 287.748 1.555 20 0 CDADRL O=C(CSc1n[n-]c(=S)s1)[N-]OCCC1CC1 ZINC000817379598 930515255 /nfs/dbraw/zinc/51/52/55/930515255.db2.gz USHCTBYLJXXDQH-UHFFFAOYSA-N -2 0 291.423 1.767 20 0 CDADRL O=P([O-])([O-])OCCNc1ccc(-c2ccccc2)nn1 ZINC001157786975 938545577 /nfs/dbraw/zinc/54/55/77/938545577.db2.gz DTRYVFQMGJQKMO-UHFFFAOYSA-N -2 0 295.235 1.665 20 0 CDADRL CC(C)OCCNc1ccc(P(=O)([O-])[O-])cc1 ZINC001161796233 938933236 /nfs/dbraw/zinc/93/32/36/938933236.db2.gz XLOIRDMJWWBPRR-UHFFFAOYSA-N -2 0 259.242 1.327 20 0 CDADRL C[C@@](NC(=O)CCCC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001649884362 1169465602 /nfs/dbraw/zinc/46/56/02/1169465602.db2.gz KTJITGGRDGOXFH-AWEZNQCLSA-N -2 0 279.292 1.358 20 0 CDADRL O=c1nc2cn[n-]c2c(O[C@H]2CC3CCC2CC3)[nH]1 ZINC001233938798 943695408 /nfs/dbraw/zinc/69/54/08/943695408.db2.gz FFYMCQFYWVOURQ-KTOWXAHTSA-N -2 0 260.297 1.604 20 0 CDADRL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)on1 ZINC001260221942 945809838 /nfs/dbraw/zinc/80/98/38/945809838.db2.gz BXVYSBDARBPSMX-UHFFFAOYSA-N -2 0 296.304 1.736 20 0 CDADRL O=C([O-])c1ccc(-c2ccc(F)c(C(=O)[O-])c2)nn1 ZINC001241242816 946198387 /nfs/dbraw/zinc/19/83/87/946198387.db2.gz UHVPMEWGAOAIMG-UHFFFAOYSA-N -2 0 262.196 1.679 20 0 CDADRL Cc1cnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242159959 946610990 /nfs/dbraw/zinc/61/09/90/946610990.db2.gz YZRONKJVUNQCAH-UHFFFAOYSA-N -2 0 258.233 1.848 20 0 CDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc(F)cn2)c1 ZINC001242162179 946613319 /nfs/dbraw/zinc/61/33/19/946613319.db2.gz FOLRQGKKNSOKJS-UHFFFAOYSA-N -2 0 262.196 1.679 20 0 CDADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc3nccn32)c1 ZINC001242162656 946613617 /nfs/dbraw/zinc/61/36/17/946613617.db2.gz ZLQSYDVCLIPPCL-UHFFFAOYSA-N -2 0 283.243 1.793 20 0 CDADRL COc1cc(O)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001243985408 947277051 /nfs/dbraw/zinc/27/70/51/947277051.db2.gz UDPJIVNANIMCCL-UHFFFAOYSA-N -2 0 280.216 1.871 20 0 CDADRL COc1c(O)cccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001244994226 947535650 /nfs/dbraw/zinc/53/56/50/947535650.db2.gz XEKUILPVJBJUKT-UHFFFAOYSA-N -2 0 280.216 1.871 20 0 CDADRL CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC001602933971 971900739 /nfs/dbraw/zinc/90/07/39/971900739.db2.gz PCDGXAMGJQJWHC-NXEZZACHSA-N -2 0 283.324 1.413 20 0 CDADRL CC(C)[C@@H](CNC(=O)C(C)(C)CCC(=O)[O-])C(=O)[O-] ZINC001602978305 971993115 /nfs/dbraw/zinc/99/31/15/971993115.db2.gz RTYLJFNQNPWIER-SECBINFHSA-N -2 0 273.329 1.350 20 0 CDADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(=O)[O-] ZINC000863955260 955926288 /nfs/dbraw/zinc/92/62/88/955926288.db2.gz FWZLVWGWTCIGDR-VIFPVBQESA-N -2 0 285.321 1.058 20 0 CDADRL O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@H]2C(=O)[O-])ccc1F ZINC000132831244 958804394 /nfs/dbraw/zinc/80/43/94/958804394.db2.gz WZIHZLJBEZCLPG-RKDXNWHRSA-N -2 0 295.266 1.963 20 0 CDADRL Cc1cc(C(=O)NCc2nc(C)cc(=O)[nH]2)oc1C(=O)[O-] ZINC001571041239 960578999 /nfs/dbraw/zinc/57/89/99/960578999.db2.gz GZDAHYAIXRZLSX-UHFFFAOYSA-N -2 0 291.263 1.020 20 0 CDADRL O=C([O-])[C@H]1CSCCN1C(=O)c1c([O-])cccc1F ZINC000236440976 960604381 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C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccnc(C(=O)[O-])c1 ZINC000662894284 413669723 /nfs/dbraw/zinc/66/97/23/413669723.db2.gz VMOSMLITHMHZQT-DTWKUNHWSA-N -2 0 264.281 1.469 20 0 CDADRL Cc1cc([N-]S(=O)(=O)c2cnn(C)c2)ccc1C(=O)[O-] ZINC000044750140 175244953 /nfs/dbraw/zinc/24/49/53/175244953.db2.gz NIPHSSSYVMTAAM-UHFFFAOYSA-N -2 0 295.320 1.228 20 0 CDADRL O=C([O-])[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000652451915 424451788 /nfs/dbraw/zinc/45/17/88/424451788.db2.gz LCENLSJCVRGAGL-JTQLQIEISA-N -2 0 277.324 1.356 20 0 CDADRL CC(C)(CCNC(=O)[C@]1(C(=O)[O-])CC=CCC1)C(=O)[O-] ZINC000653289920 482383372 /nfs/dbraw/zinc/38/33/72/482383372.db2.gz CNRQQSMNSDPXFB-AWEZNQCLSA-N -2 0 283.324 1.415 20 0 CDADRL Cc1oc(S(=O)(=O)NCC[C@H](C)F)cc1C(=O)[O-] ZINC001600857338 1174645629 /nfs/dbraw/zinc/64/56/29/1174645629.db2.gz IAJXQEQIBQOOCZ-LURJTMIESA-N -2 0 279.289 1.313 20 0 CDADRL O=C([O-])CCCCC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC001601980312 1175095483 /nfs/dbraw/zinc/09/54/83/1175095483.db2.gz 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/nfs/dbraw/zinc/00/62/72/605006272.db2.gz ZIURTTGIPIWTQC-VIFPVBQESA-N -2 0 274.317 1.040 20 0 CDADRL Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1C(=O)[O-] ZINC000147756646 619872931 /nfs/dbraw/zinc/87/29/31/619872931.db2.gz ZHVRKKFPLUCZIV-UHFFFAOYSA-N -2 0 298.345 1.951 20 0 CDADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000907041923 627492955 /nfs/dbraw/zinc/49/29/55/627492955.db2.gz HOALBEWISCKXBX-PSASIEDQSA-N -2 0 297.332 1.121 20 0 CDADRL C[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])C1CCCC1 ZINC000910184719 628898808 /nfs/dbraw/zinc/89/88/08/628898808.db2.gz RVYNDBJFCFRDQO-MVWJERBFSA-N -2 0 297.351 1.589 20 0 CDADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(=O)n(C)[n-]1 ZINC001606150618 1163789837 /nfs/dbraw/zinc/78/98/37/1163789837.db2.gz IUWZVPUNEWFIBN-UHFFFAOYSA-N -2 0 289.291 1.096 20 0 CDADRL Cc1nc(N2CCC[C@@H]2CC(=O)[O-])sc1C(=O)[O-] ZINC001607962106 1164355016 /nfs/dbraw/zinc/35/50/16/1164355016.db2.gz PIVZZGMVWNHFAT-SSDOTTSWSA-N -2 0 270.310 1.593 20 0 CDADRL O=C([O-])CSc1c(F)cc(-c2nn[nH]n2)cc1F ZINC001609572237 1164992138 /nfs/dbraw/zinc/99/21/38/1164992138.db2.gz MLDKNWLFSRFMKM-UHFFFAOYSA-N -2 0 272.236 1.322 20 0 CDADRL Cc1cc(F)ccc1CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001610466240 1165323206 /nfs/dbraw/zinc/32/32/06/1165323206.db2.gz NPWLBHWGIMEXNI-UHFFFAOYSA-N -2 0 298.295 1.529 20 0 CDADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnccn1 ZINC000036333846 1165751069 /nfs/dbraw/zinc/75/10/69/1165751069.db2.gz FSHCIICPBOBHHV-UHFFFAOYSA-N -2 0 293.304 1.284 20 0 CDADRL Cc1c(NC(=O)c2ccc(F)cc2[O-])cnn1CC(=O)[O-] ZINC001600047615 1174347428 /nfs/dbraw/zinc/34/74/28/1174347428.db2.gz TUWCKIVEKALKTE-UHFFFAOYSA-N -2 0 293.254 1.373 20 0 CDADRL Cc1ccc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])c(C(=O)[O-])c1 ZINC001600445002 1174477191 /nfs/dbraw/zinc/47/71/91/1174477191.db2.gz IYUKKPUHSNYQEI-RKDXNWHRSA-N -2 0 295.291 1.510 20 0 CDADRL Cc1nc(N(CC(=O)[O-])CC2CC2)ccc1C(=O)[O-] ZINC001600709106 1174575038 /nfs/dbraw/zinc/57/50/38/1174575038.db2.gz 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1164393271 /nfs/dbraw/zinc/39/32/71/1164393271.db2.gz SXFDNUOHCVLCPX-JTQLQIEISA-N -2 0 297.307 1.649 20 0 CDADRL O=C([O-])c1ccc(NC(=O)NCC2(C(=O)[O-])CC2)cc1 ZINC001608426573 1164514044 /nfs/dbraw/zinc/51/40/44/1164514044.db2.gz GJSASYMBOLYTHJ-UHFFFAOYSA-N -2 0 278.264 1.371 20 0 CDADRL O=C([O-])CC1(NC(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC001608685476 1164602654 /nfs/dbraw/zinc/60/26/54/1164602654.db2.gz VHVMTEQCZSQBRL-UHFFFAOYSA-N -2 0 267.237 1.105 20 0 CDADRL C[C@H]([N-]C(=O)C(F)(F)C(=O)[N-][C@@H](C)C(F)F)C(F)F ZINC000883162228 729520774 /nfs/dbraw/zinc/52/07/74/729520774.db2.gz MXTRHRICWZSWDL-IMJSIDKUSA-N -2 0 294.195 1.161 20 0 CDADRL O=C([O-])c1ccccc1-n1[n-]c([C@H]2CCOC2)cc1=O ZINC000871947921 729948807 /nfs/dbraw/zinc/94/88/07/729948807.db2.gz MHVBRNXWUDBHNZ-VIFPVBQESA-N -2 0 274.276 1.514 20 0 CDADRL CC(C)(C(=O)[O-])C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001609649234 1165028031 /nfs/dbraw/zinc/02/80/31/1165028031.db2.gz WCQOWYHLFKZCGM-UHFFFAOYSA-N -2 0 251.238 1.434 20 0 CDADRL CC(C)[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(F)(F)F ZINC001609717430 1165053908 /nfs/dbraw/zinc/05/39/08/1165053908.db2.gz OTLWBDAGOSBYOD-QMMMGPOBSA-N -2 0 291.291 1.358 20 0 CDADRL CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001609950528 1165160463 /nfs/dbraw/zinc/16/04/63/1165160463.db2.gz KHALCYUEAUOSFL-LDYMZIIASA-N -2 0 279.358 1.122 20 0 CDADRL O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1cn[nH]n1 ZINC001610765822 1165434274 /nfs/dbraw/zinc/43/42/74/1165434274.db2.gz STPMYEFJMFBHGP-LLVKDONJSA-N -2 0 294.355 1.738 20 0 CDADRL O=C([O-])CCNC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001602023248 1167813285 /nfs/dbraw/zinc/81/32/85/1167813285.db2.gz KVLGPOMEXKIJBZ-UHFFFAOYSA-N -2 0 298.320 1.920 20 0 CDADRL N=c1ccc(F)c(N)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237028 913999849 /nfs/dbraw/zinc/99/98/49/913999849.db2.gz FEBWVQVVYGTFAS-UHFFFAOYSA-N -2 0 291.238 1.074 20 0 CDADRL Cn1nccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236113 913999934 /nfs/dbraw/zinc/99/99/34/913999934.db2.gz 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CDADRL CC1(C)CCC[C@@H]1NS(=O)(=O)c1occc1C(=O)[O-] ZINC000871993709 818340703 /nfs/dbraw/zinc/34/07/03/818340703.db2.gz OHVUUAWKUYSBIT-VIFPVBQESA-N -2 0 287.337 1.835 20 0 CDADRL O=C([O-])[C@@H](C(=O)[N-]O[C@@H]1CCCCO1)C1CCCC1 ZINC000852950967 821888717 /nfs/dbraw/zinc/88/87/17/821888717.db2.gz ADAQHSSTQXLTNY-GHMZBOCLSA-N -2 0 271.313 1.452 20 0 CDADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n(C)n1 ZINC001176237046 914004649 /nfs/dbraw/zinc/00/46/49/914004649.db2.gz UJJYXSWTSARMNC-UHFFFAOYSA-N -2 0 275.264 1.869 20 0 CDADRL O=P([O-])([O-])c1ccc(NCC2(F)CCOCC2)cc1 ZINC001168129842 907313407 /nfs/dbraw/zinc/31/34/07/907313407.db2.gz OJMCQVGPGPIUEI-UHFFFAOYSA-N -2 0 289.243 1.420 20 0 CDADRL CCN(C)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189861474 921670347 /nfs/dbraw/zinc/67/03/47/921670347.db2.gz SSWRYPIBBKOKAM-UHFFFAOYSA-N -2 0 259.198 1.250 20 0 CDADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1CC12CCCCC2 ZINC001181908784 917463224 /nfs/dbraw/zinc/46/32/24/917463224.db2.gz OQDHBESMQNMPKT-VIFPVBQESA-N -2 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C[C@@H]([N-]S(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC001599842284 988863228 /nfs/dbraw/zinc/86/32/28/988863228.db2.gz FYQIQXMXXVEDKT-QYNIQEEDSA-N -2 0 289.275 1.110 20 0 CDADRL CCC(=CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CC ZINC001604853003 1163354352 /nfs/dbraw/zinc/35/43/52/1163354352.db2.gz XSTUWYWJNVPZCB-DTWKUNHWSA-N -2 0 291.369 1.288 20 0 CDADRL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(F)c2[O-])C1 ZINC001593772695 996468758 /nfs/dbraw/zinc/46/87/58/996468758.db2.gz GWZZOPVWMQCMGK-CQSZACIVSA-N -2 0 281.283 1.858 20 0 CDADRL C[C@]1(C(=O)[O-])CCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001593790081 996505206 /nfs/dbraw/zinc/50/52/06/996505206.db2.gz CZZFQRNNCTZWNG-LBPRGKRZSA-N -2 0 298.320 1.775 20 0 CDADRL CC/C=C(/C)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001605182060 1163479007 /nfs/dbraw/zinc/47/90/07/1163479007.db2.gz KMFPTCMDHOWAQL-KOYTYJGYSA-N -2 0 295.335 1.367 20 0 CDADRL CCCC[C@@H](Nc1cc(C(=O)[O-])ncn1)C(=O)[O-] ZINC001605247550 1163501485 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