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@@]1(C(=O)[O-])CCCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001595368502 980827753 /nfs/dbraw/zinc/82/77/53/980827753.db2.gz JENWPOGCXKRRLG-GOSISDBHSA-N -2 3 348.399 2.209 20 0 EEADHL CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001596512131 984284152 /nfs/dbraw/zinc/28/41/52/984284152.db2.gz HHZSDQBFRUCNAV-UHFFFAOYSA-N -2 3 349.343 2.261 20 0 EEADHL CCc1cc(=O)[n-]c(CN[C@](C)(CC(=O)[O-])c2cccc(OC)c2)n1 ZINC001597487859 987995648 /nfs/dbraw/zinc/99/56/48/987995648.db2.gz RIQUHURNRFPUMK-GOSISDBHSA-N -2 3 345.399 2.233 20 0 EEADHL CCc1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)c([O-])c1 ZINC001597500302 988055281 /nfs/dbraw/zinc/05/52/81/988055281.db2.gz JDHYEGPDEBKROB-XYEKJYRLSA-N -2 3 333.384 2.097 20 0 EEADHL CCc1oc(C(=O)[O-])cc1CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC001597772197 989236335 /nfs/dbraw/zinc/23/63/35/989236335.db2.gz OMVHHNWDZFOWFC-UHFFFAOYSA-N -2 3 334.357 2.215 20 0 EEADHL COc1ccccc1C[C@@H](CNC(=O)c1c(C)cccc1[O-])C(=O)[O-] ZINC001599709917 991353273 /nfs/dbraw/zinc/35/32/73/991353273.db2.gz OBPSWWNVTYUHJR-AWEZNQCLSA-N -2 3 343.379 2.383 20 0 EEADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2csnc2C(=O)[O-])[C@H]1C ZINC001594348519 999321189 /nfs/dbraw/zinc/32/11/89/999321189.db2.gz OQOCIXHRJXSJED-UTLUCORTSA-N -2 3 332.447 2.192 20 0 EEADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccccc2F)C(=O)[O-])cc1 ZINC000738567009 578019590 /nfs/dbraw/zinc/01/95/90/578019590.db2.gz DCPTUNUSHRRCAT-ZDUSSCGKSA-N -2 3 337.372 2.281 20 0 EEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCSC2)cc1C(=O)[O-] ZINC000273673213 256316990 /nfs/dbraw/zinc/31/69/90/256316990.db2.gz GMFVWTXIRFYVQS-SECBINFHSA-N -2 3 333.406 2.006 20 0 EEADHL CN(CCCCNC(=O)c1ccccc1[O-])C(=O)c1ccccc1[O-] ZINC000120853911 292258398 /nfs/dbraw/zinc/25/83/98/292258398.db2.gz WGDYFZQKMCTZIV-UHFFFAOYSA-N -2 3 342.395 2.380 20 0 EEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2cc(-c3ccccc3)on2)co1 ZINC000132154574 292397968 /nfs/dbraw/zinc/39/79/68/292397968.db2.gz PZQIPRUWQZQRJB-UHFFFAOYSA-N -2 3 347.352 2.095 20 0 EEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000074804017 159069985 /nfs/dbraw/zinc/06/99/85/159069985.db2.gz FGZZUSOCHSPEAR-UHFFFAOYSA-N -2 3 335.776 2.321 20 0 EEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000074804017 159069987 /nfs/dbraw/zinc/06/99/87/159069987.db2.gz FGZZUSOCHSPEAR-UHFFFAOYSA-N -2 3 335.776 2.321 20 0 EEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000342772258 161089467 /nfs/dbraw/zinc/08/94/67/161089467.db2.gz AYGKIXPBBBYKPJ-UHFFFAOYSA-N -2 3 345.380 2.387 20 0 EEADHL COc1cc2c(cc1F)[n-]cc(C(=O)Nc1ncccc1[O-])c2=O ZINC000343848530 161174340 /nfs/dbraw/zinc/17/43/40/161174340.db2.gz ICZDWEWHCOYAPY-UHFFFAOYSA-N -2 3 329.287 2.029 20 0 EEADHL CCOC(=O)c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)o1 ZINC000347415669 161450281 /nfs/dbraw/zinc/45/02/81/161450281.db2.gz MZGAGVWTMJNOOH-ALCCZGGFSA-N -2 3 332.312 2.058 20 0 EEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)ccc1[O-] ZINC000360499028 164323486 /nfs/dbraw/zinc/32/34/86/164323486.db2.gz DWQBDUNDPXJUSX-UHFFFAOYSA-N -2 3 348.380 2.354 20 0 EEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000278216067 269215980 /nfs/dbraw/zinc/21/59/80/269215980.db2.gz ILOYKZZDSHDBCC-SECBINFHSA-N -2 3 335.809 2.128 20 0 EEADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)sc1C(=O)[O-] ZINC000280389501 269358690 /nfs/dbraw/zinc/35/86/90/269358690.db2.gz MYZQETZPVINEDY-QMMMGPOBSA-N -2 3 339.385 2.468 20 0 EEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(F)F ZINC000414325361 312998326 /nfs/dbraw/zinc/99/83/26/312998326.db2.gz LZCWGGXMRXLVIW-VIFPVBQESA-N -2 3 325.308 2.154 20 0 EEADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000436660950 314985766 /nfs/dbraw/zinc/98/57/66/314985766.db2.gz WUGZAXPDTJALJX-UHFFFAOYSA-N -2 3 338.319 2.121 20 0 EEADHL Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000516968496 316622369 /nfs/dbraw/zinc/62/23/69/316622369.db2.gz UJUJCBCXPPUVLN-NSHDSACASA-N -2 3 338.410 2.116 20 0 EEADHL COc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000539575960 318057492 /nfs/dbraw/zinc/05/74/92/318057492.db2.gz XHAIFWKCDJAYIA-HNNXBMFYSA-N -2 3 345.351 2.355 20 0 EEADHL Cc1nc(C)c(CCC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000566225390 319262146 /nfs/dbraw/zinc/26/21/46/319262146.db2.gz KDJOWYAGMGPHAK-CYBMUJFWSA-N -2 3 337.420 2.127 20 0 EEADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000566676469 319311018 /nfs/dbraw/zinc/31/10/18/319311018.db2.gz ORFZESOXMRKUQU-NSHDSACASA-N -2 3 340.426 2.141 20 0 EEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000567382827 319375574 /nfs/dbraw/zinc/37/55/74/319375574.db2.gz ZOOZHCJNARNZST-UHFFFAOYSA-N -2 3 331.365 2.144 20 0 EEADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000569451107 319577276 /nfs/dbraw/zinc/57/72/76/319577276.db2.gz VUWBFXQHKREQQD-KGLIPLIRSA-N -2 3 349.412 2.056 20 0 EEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)o1 ZINC000391347012 323547100 /nfs/dbraw/zinc/54/71/00/323547100.db2.gz QNCDAWUBHFHYKG-UHFFFAOYSA-N -2 3 349.286 2.475 20 0 EEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)sc1Cl ZINC000231806623 464208257 /nfs/dbraw/zinc/20/82/57/464208257.db2.gz OAXHMADRWNBETG-QMMMGPOBSA-N -2 3 325.839 2.488 20 0 EEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000036833123 463439699 /nfs/dbraw/zinc/43/96/99/463439699.db2.gz XVXPZMRADMPIST-UHFFFAOYSA-N -2 3 340.426 2.167 20 0 EEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2[O-])c(C)o1 ZINC000081780869 463490674 /nfs/dbraw/zinc/49/06/74/463490674.db2.gz OSQDASYPGQLBIS-UHFFFAOYSA-N -2 3 344.776 2.107 20 0 EEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(F)cc1F ZINC000184949998 463725509 /nfs/dbraw/zinc/72/55/09/463725509.db2.gz JGLTVLONGNMWHJ-VIFPVBQESA-N -2 3 331.340 2.298 20 0 EEADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)C(C)C ZINC000276542477 464972551 /nfs/dbraw/zinc/97/25/51/464972551.db2.gz KGJQROHVSDNLKK-ZDUSSCGKSA-N -2 3 347.408 2.172 20 0 EEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CS[C@H](C)C2)c1 ZINC000414343474 467405400 /nfs/dbraw/zinc/40/54/00/467405400.db2.gz BCRBFDICRWKSSH-RKDXNWHRSA-N -2 3 333.406 2.005 20 0 EEADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000400626282 467458078 /nfs/dbraw/zinc/45/80/78/467458078.db2.gz JWECUYVHAXDLCH-MWLCHTKSSA-N -2 3 344.389 2.071 20 0 EEADHL Cc1cccc(Cl)c1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000514719219 467950687 /nfs/dbraw/zinc/95/06/87/467950687.db2.gz YYNMWKOLUOEHCJ-MRVPVSSYSA-N -2 3 345.726 2.332 20 0 EEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c(F)cc1F ZINC000514931857 467963810 /nfs/dbraw/zinc/96/38/10/467963810.db2.gz AMZHYNOKYVVWBK-NOZJJQNGSA-N -2 3 335.372 2.297 20 0 EEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000567799565 468212237 /nfs/dbraw/zinc/21/22/37/468212237.db2.gz URUCZLOTKZMSFE-ZDUSSCGKSA-N -2 3 339.344 2.391 20 0 EEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)C1 ZINC000572997567 469039185 /nfs/dbraw/zinc/03/91/85/469039185.db2.gz AIUVTSJLZLUGKU-ONGXEEELSA-N -2 3 345.392 2.390 20 0 EEADHL CCOC(=O)c1ccc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)c([O-])c1 ZINC000595999542 469111540 /nfs/dbraw/zinc/11/15/40/469111540.db2.gz NHSFNQGMWSBRHS-AWEZNQCLSA-N -2 3 335.356 2.398 20 0 EEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC3CCC2CC3)oc1C(=O)[O-] ZINC000663426000 471370747 /nfs/dbraw/zinc/37/07/47/471370747.db2.gz GOUUPHLWOGPHFZ-MCIGGMRASA-N -2 3 327.402 2.391 20 0 EEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-])[C@H]1CCOC1 ZINC000656624324 471787509 /nfs/dbraw/zinc/78/75/09/471787509.db2.gz LPTGOOQPELTVQV-GWCFXTLKSA-N -2 3 349.836 2.147 20 0 EEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccccc3[O-])CCCCC2)no1 ZINC000656871883 471872091 /nfs/dbraw/zinc/87/20/91/471872091.db2.gz SKMISQYYMFYIIE-UHFFFAOYSA-N -2 3 337.401 2.222 20 0 EEADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc([O-])cc1F ZINC000738232084 578005137 /nfs/dbraw/zinc/00/51/37/578005137.db2.gz OYERMIVHKYECFY-UHFFFAOYSA-N -2 3 332.266 2.208 20 0 EEADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc([O-])cc1F ZINC000738232084 578005138 /nfs/dbraw/zinc/00/51/38/578005138.db2.gz OYERMIVHKYECFY-UHFFFAOYSA-N -2 3 332.266 2.208 20 0 EEADHL O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc2[n-]c(=S)oc2c1 ZINC000775906145 577448357 /nfs/dbraw/zinc/44/83/57/577448357.db2.gz GJYGVIJXXWZROJ-UHFFFAOYSA-N -2 3 343.290 2.183 20 0 EEADHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc2[n-]c(=S)oc2c1 ZINC000775906145 577448358 /nfs/dbraw/zinc/44/83/58/577448358.db2.gz GJYGVIJXXWZROJ-UHFFFAOYSA-N -2 3 343.290 2.183 20 0 EEADHL O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc2[n-]c(=S)oc2c1 ZINC000775906145 577448359 /nfs/dbraw/zinc/44/83/59/577448359.db2.gz GJYGVIJXXWZROJ-UHFFFAOYSA-N -2 3 343.290 2.183 20 0 EEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000776442198 577459949 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O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)o1 ZINC000740176413 578084076 /nfs/dbraw/zinc/08/40/76/578084076.db2.gz ASCYHRNGEFPTKS-UHFFFAOYSA-N -2 3 332.337 2.005 20 0 EEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)on1 ZINC000737255416 578246245 /nfs/dbraw/zinc/24/62/45/578246245.db2.gz ZMGYMLHISHXZKN-UHFFFAOYSA-N -2 3 344.776 2.067 20 0 EEADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737434477 578257283 /nfs/dbraw/zinc/25/72/83/578257283.db2.gz GLIUPRGQEBGQMR-UHFFFAOYSA-N -2 3 333.348 2.115 20 0 EEADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737434477 578257284 /nfs/dbraw/zinc/25/72/84/578257284.db2.gz GLIUPRGQEBGQMR-UHFFFAOYSA-N -2 3 333.348 2.115 20 0 EEADHL CN(Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1)C(=O)[O-] ZINC000737485266 578260206 /nfs/dbraw/zinc/26/02/06/578260206.db2.gz FQDMBEAOMKUGQJ-UHFFFAOYSA-N -2 3 325.328 2.320 20 0 EEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)cn1 ZINC000315009337 600529310 /nfs/dbraw/zinc/52/93/10/600529310.db2.gz 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/nfs/dbraw/zinc/27/29/64/578272964.db2.gz IUOCOCRSHOMVEM-UHFFFAOYSA-N -2 3 345.746 2.243 20 0 EEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)o1 ZINC000226230377 599771738 /nfs/dbraw/zinc/77/17/38/599771738.db2.gz LWSSNZFAYPRTBF-UHFFFAOYSA-N -2 3 335.790 2.214 20 0 EEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 ZINC000035296034 600625589 /nfs/dbraw/zinc/62/55/89/600625589.db2.gz OZYOCLGYINPSPG-UHFFFAOYSA-N -2 3 326.761 2.163 20 0 EEADHL Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c[nH]c2c1 ZINC000832959027 601240615 /nfs/dbraw/zinc/24/06/15/601240615.db2.gz ALYWVXGFXNCPIN-UHFFFAOYSA-N -2 3 348.380 2.289 20 0 EEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccnc1 ZINC000826688045 601260224 /nfs/dbraw/zinc/26/02/24/601260224.db2.gz STBVRQDBAIDGGT-GFCCVEGCSA-N -2 3 338.385 2.091 20 0 EEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(Cl)n1 ZINC001186144066 1278968908 /nfs/dbraw/zinc/96/89/08/1278968908.db2.gz VTFACDNNSWICJU-UHFFFAOYSA-N -2 3 345.739 2.077 20 0 EEADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1c([O-])cccc1C(F)(F)F ZINC001193260748 1282409524 /nfs/dbraw/zinc/40/95/24/1282409524.db2.gz FXFFXURFDNIDAU-MRVPVSSYSA-N -2 3 325.308 2.332 20 0 EEADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1c([O-])cccc1Br ZINC001193265463 1282412537 /nfs/dbraw/zinc/41/25/37/1282412537.db2.gz VGXWBSWIQYKRNZ-QMMMGPOBSA-N -2 3 336.207 2.075 20 0 EEADHL COc1ncccc1S(=O)(=O)[N-]c1cc([O-])c(Cl)cc1F ZINC001194710768 1283267994 /nfs/dbraw/zinc/26/79/94/1283267994.db2.gz COUOOOJPBAQSMI-UHFFFAOYSA-N -2 3 332.740 2.389 20 0 EEADHL CCOC(=O)CS(=O)(=O)[N-]c1c(Cl)ccc([O-])c1Cl ZINC001195973845 1283825619 /nfs/dbraw/zinc/82/56/19/1283825619.db2.gz ZSBFSYBMINAYMY-UHFFFAOYSA-N -2 3 328.173 2.004 20 0 EEADHL CC[C@@H](Oc1[n-]c(=O)nc2c(=O)[n-]c(=O)[nH]c21)c1ccccc1F ZINC001226885816 1301593823 /nfs/dbraw/zinc/59/38/23/1301593823.db2.gz IZBAIWSNNPOVSX-SECBINFHSA-N -2 3 332.291 2.206 20 0 EEADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H]2C[C@@H]3CC[C@H]2C3)[n-]1 ZINC001227597179 1301902321 /nfs/dbraw/zinc/90/23/21/1301902321.db2.gz PZDMYBGVFVLGDR-DSYKOEDSSA-N -2 3 325.166 2.388 20 0 EEADHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000798357567 1304985317 /nfs/dbraw/zinc/98/53/17/1304985317.db2.gz RMEQZUCOOHGUFT-DTWKUNHWSA-N -2 3 333.356 2.378 20 0 EEADHL O=C([N-]CC1CCN(C(=O)c2cc(F)ccc2[O-])CC1)C(F)(F)F ZINC000799022411 1305135493 /nfs/dbraw/zinc/13/54/93/1305135493.db2.gz HZHKPWPXIAQASP-UHFFFAOYSA-N -2 3 348.296 2.062 20 0 EEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3o[nH]c(=O)c3c2)cc1 ZINC001260227698 1319838386 /nfs/dbraw/zinc/83/83/86/1319838386.db2.gz UUNSPSCJLWIXFX-UHFFFAOYSA-N -2 3 334.309 2.032 20 0 EEADHL COc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1C ZINC001260398879 1319884555 /nfs/dbraw/zinc/88/45/55/1319884555.db2.gz FWUKGVBOKRVKQS-UHFFFAOYSA-N -2 3 337.353 2.208 20 0 EEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)ccc1O ZINC000392002570 1323029772 /nfs/dbraw/zinc/02/97/72/1323029772.db2.gz NSAUGDJLMMPCJF-UHFFFAOYSA-N -2 3 344.348 2.439 20 0 EEADHL CCCCc1cc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC001605291757 1351126838 /nfs/dbraw/zinc/12/68/38/1351126838.db2.gz ISIWYOBHCBMEDQ-UHFFFAOYSA-N -2 3 337.401 2.392 20 0 EEADHL O=C([O-])C12CC(C(=O)OCc3cc(=O)[n-]c(-c4ccccc4)n3)(C1)C2 ZINC001608581868 1351719866 /nfs/dbraw/zinc/71/98/66/1351719866.db2.gz HVZBLAVKOCTVSU-UHFFFAOYSA-N -2 3 340.335 2.147 20 0 EEADHL CC[C@@](CNC(=O)NCc1ncccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001609923926 1352121368 /nfs/dbraw/zinc/12/13/68/1352121368.db2.gz KTQNUHXRVLICEC-SFHVURJKSA-N -2 3 343.383 2.019 20 0 EEADHL CCc1[nH]c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(C)c1C(=O)[O-] ZINC001610054784 1352151027 /nfs/dbraw/zinc/15/10/27/1352151027.db2.gz FSGSFYFJQDGVIF-UHFFFAOYSA-N -2 3 329.316 2.214 20 0 EEADHL CC(=Cc1cn(C(C)C)nc1C)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588773308 1348935153 /nfs/dbraw/zinc/93/51/53/1348935153.db2.gz WAZMGXKFSWXWOK-RMKNXTFCSA-N -2 3 340.391 2.317 20 0 EEADHL CC(=Cc1cn(C(C)C)nc1C)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588773308 1348935155 /nfs/dbraw/zinc/93/51/55/1348935155.db2.gz WAZMGXKFSWXWOK-RMKNXTFCSA-N -2 3 340.391 2.317 20 0 EEADHL CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589550190 1349002435 /nfs/dbraw/zinc/00/24/35/1349002435.db2.gz CGCJGKHLXBKIQM-RISCZKNCSA-N -2 3 345.403 2.181 20 0 EEADHL CC(C)C[C@@H](CC(=O)[O-])C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589550190 1349002443 /nfs/dbraw/zinc/00/24/43/1349002443.db2.gz CGCJGKHLXBKIQM-RISCZKNCSA-N -2 3 345.403 2.181 20 0 EEADHL C[C@@H]1CCN(c2cccc(C(F)F)c2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590273866 1349242935 /nfs/dbraw/zinc/24/29/35/1349242935.db2.gz BIOVAMNIBGLUIR-SCZZXKLOSA-N -2 3 337.330 2.351 20 0 EEADHL C[C@@H]1CCN(c2cccc(C(F)F)c2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590273866 1349242938 /nfs/dbraw/zinc/24/29/38/1349242938.db2.gz BIOVAMNIBGLUIR-SCZZXKLOSA-N -2 3 337.330 2.351 20 0 EEADHL O=C(NOc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(Cl)c1[O-] ZINC001593170738 1349743907 /nfs/dbraw/zinc/74/39/07/1349743907.db2.gz PDLCOPYSARDPKE-UHFFFAOYSA-N -2 3 349.709 2.089 20 0 EEADHL O=C(NOc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1[O-] ZINC001593170738 1349743912 /nfs/dbraw/zinc/74/39/12/1349743912.db2.gz PDLCOPYSARDPKE-UHFFFAOYSA-N -2 3 349.709 2.089 20 0 EEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCSCC(=O)[O-])c2)n1 ZINC001600064278 1349964157 /nfs/dbraw/zinc/96/41/57/1349964157.db2.gz JNWZXRMRMHMJRI-UHFFFAOYSA-N -2 3 348.380 2.271 20 0 EEADHL Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1C(=O)[O-] ZINC001600455736 1350056070 /nfs/dbraw/zinc/05/60/70/1350056070.db2.gz ZDORADTXWLTMJF-UHFFFAOYSA-N -2 3 343.265 2.152 20 0 EEADHL Cc1cccc([O-])c1C(=O)NCc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001600542710 1350077766 /nfs/dbraw/zinc/07/77/66/1350077766.db2.gz LEDVLATWBFEYBQ-UHFFFAOYSA-N -2 3 325.324 2.205 20 0 EEADHL Cc1nc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc(=O)[n-]1 ZINC001600717989 1350120286 /nfs/dbraw/zinc/12/02/86/1350120286.db2.gz KHARGKISFNQCFO-UHFFFAOYSA-N -2 3 328.372 2.270 20 0 EEADHL Cc1oc(C(=O)[O-])cc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001600827916 1350146109 /nfs/dbraw/zinc/14/61/09/1350146109.db2.gz WCDSAOHVCYQHKZ-XYPYZODXSA-N -2 3 345.355 2.238 20 0 EEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001602587380 1350552210 /nfs/dbraw/zinc/55/22/10/1350552210.db2.gz OOAWVEFVLRNIFM-OPRDCNLKSA-N -2 3 330.431 2.088 20 0 EEADHL C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001604289614 1350910297 /nfs/dbraw/zinc/91/02/97/1350910297.db2.gz AOCDSSSMMVNJQA-ZETCQYMHSA-N -2 3 339.348 2.246 20 0 EEADHL CCC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001605360334 1351144125 /nfs/dbraw/zinc/14/41/25/1351144125.db2.gz AQDISIKHZYRJMZ-QMMMGPOBSA-N -2 3 348.833 2.481 20 0 EEADHL CCO[C@@H](CC[N-]S(=O)(=O)c1occc1C(=O)[O-])C1CCCC1 ZINC001605592742 1351197187 /nfs/dbraw/zinc/19/71/87/1351197187.db2.gz PHCKUCAPIRUKFK-ZDUSSCGKSA-N -2 3 345.417 2.242 20 0 EEADHL O=C(Nc1cccc2cnccc21)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606938170 1351379792 /nfs/dbraw/zinc/37/97/92/1351379792.db2.gz LKUHYOJZXLZOET-UHFFFAOYSA-N -2 3 332.323 2.373 20 0 EEADHL Cc1cc(C)cc([C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C(=O)[O-])c1 ZINC001607627681 1351528783 /nfs/dbraw/zinc/52/87/83/1351528783.db2.gz ZRIRANMRQPQJLZ-OAHLLOKOSA-N -2 3 341.367 2.232 20 0 EEADHL COc1cccc([O-])c1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC001639298534 1352697027 /nfs/dbraw/zinc/69/70/27/1352697027.db2.gz OZADXKDYQLKAEJ-UHFFFAOYSA-N -2 3 340.339 2.452 20 0 EEADHL CCc1coc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC001188272347 1368292719 /nfs/dbraw/zinc/29/27/19/1368292719.db2.gz GIDMWOYDVOHHGB-UHFFFAOYSA-N -2 3 344.776 2.067 20 0 EEADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908980321 785898051 /nfs/dbraw/zinc/89/80/51/785898051.db2.gz LGIQKQRGUISCMK-LBPRGKRZSA-N -2 3 341.379 2.050 20 0 EEADHL O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)[N-]OCc1ccccc1 ZINC000913299247 788755560 /nfs/dbraw/zinc/75/55/60/788755560.db2.gz WVFZOOWYMJCGPE-UHFFFAOYSA-N -2 3 341.323 2.075 20 0 EEADHL O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)[N-]OCc1ccccc1 ZINC000913299247 788755567 /nfs/dbraw/zinc/75/55/67/788755567.db2.gz WVFZOOWYMJCGPE-UHFFFAOYSA-N -2 3 341.323 2.075 20 0 EEADHL CC(C)(CC[N-]S(=O)(=O)c1cccnc1Cl)CCC(=O)[O-] ZINC000087672807 791313591 /nfs/dbraw/zinc/31/35/91/791313591.db2.gz BTFROGYOEHFIBS-UHFFFAOYSA-N -2 3 334.825 2.294 20 0 EEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CC3)cc1C(=O)[O-] ZINC001184703152 802138442 /nfs/dbraw/zinc/13/84/42/802138442.db2.gz IVPSWQIOJWWSFS-MRXNPFEDSA-N -2 3 347.392 2.474 20 0 EEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c[n-]1 ZINC000789740680 808177627 /nfs/dbraw/zinc/17/76/27/808177627.db2.gz RWIMUVZTTFRVIQ-UHFFFAOYSA-N -2 3 345.327 2.325 20 0 EEADHL COc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1F ZINC000323595005 971019853 /nfs/dbraw/zinc/01/98/53/971019853.db2.gz YANXESYMQVVGHT-UHFFFAOYSA-N -2 3 341.316 2.039 20 0 EEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC001573355559 963004640 /nfs/dbraw/zinc/00/46/40/963004640.db2.gz CLWRUOPNAGLJOO-UHFFFAOYSA-N -2 3 334.372 2.258 20 0 EEADHL CC(C)OC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)[n-]n1 ZINC001591685920 975487354 /nfs/dbraw/zinc/48/73/54/975487354.db2.gz SDZFSBFPLZFZGC-UHFFFAOYSA-N -2 3 335.291 2.065 20 0 EEADHL CC(C)OC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)n[n-]1 ZINC001591685920 975487358 /nfs/dbraw/zinc/48/73/58/975487358.db2.gz SDZFSBFPLZFZGC-UHFFFAOYSA-N -2 3 335.291 2.065 20 0 EEADHL Cc1cc(=O)[n-]c(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)n1 ZINC000863473782 979669748 /nfs/dbraw/zinc/66/97/48/979669748.db2.gz YKCUDECDULOZKZ-UHFFFAOYSA-N -2 3 334.401 2.025 20 0 EEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1cc(C)ccc1C ZINC001595310637 980468976 /nfs/dbraw/zinc/46/89/76/980468976.db2.gz KGPGZONXLLDOGJ-GFCCVEGCSA-N -2 3 338.385 2.419 20 0 EEADHL CC[C@@](C)([N-]S(=O)(=O)c1occc1C(=O)[O-])c1nc(C)cs1 ZINC001594853780 982116827 /nfs/dbraw/zinc/11/68/27/982116827.db2.gz KVPDJGIBVXBKJN-CYBMUJFWSA-N -2 3 344.414 2.346 20 0 EEADHL CSc1ccc([O-])c(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])c1 ZINC001599819846 988492579 /nfs/dbraw/zinc/49/25/79/988492579.db2.gz JJZSJLDBCGCSKB-OAHLLOKOSA-N -2 3 347.392 2.376 20 0 EEADHL CON(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H](C)CC(=O)[O-] ZINC001599314599 997476679 /nfs/dbraw/zinc/47/66/79/997476679.db2.gz VWVCBASGPCHHNU-QMMMGPOBSA-N -2 3 338.747 2.048 20 0 EEADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001594356169 999344500 /nfs/dbraw/zinc/34/45/00/999344500.db2.gz SMGXBMUWPGDGDM-LPEHRKFASA-N -2 3 332.447 2.334 20 0 EEADHL O=C([O-])[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000013254238 539327759 /nfs/dbraw/zinc/32/77/59/539327759.db2.gz HZQPJHLBAZVPLB-AWEZNQCLSA-N -2 3 337.339 2.064 20 0 EEADHL O=C([O-])[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000013254238 539327761 /nfs/dbraw/zinc/32/77/61/539327761.db2.gz HZQPJHLBAZVPLB-AWEZNQCLSA-N -2 3 337.339 2.064 20 0 EEADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000275006700 201275553 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COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])c1ccccc1 ZINC000586592855 469051379 /nfs/dbraw/zinc/05/13/79/469051379.db2.gz LTEBIEQZYRNZGM-AWEZNQCLSA-N -2 3 349.408 2.399 20 0 EEADHL COC(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)n[n-]2)on1 ZINC000611588953 469289145 /nfs/dbraw/zinc/28/91/45/469289145.db2.gz DOVAZMMTKIKJTB-UHFFFAOYSA-N -2 3 347.718 2.152 20 0 EEADHL O=C([O-])[C@@H]1C[C@H]1c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000630425405 469841798 /nfs/dbraw/zinc/84/17/98/469841798.db2.gz ZHYNMRXGBRYWQH-QLFBSQMISA-N -2 3 339.413 2.186 20 0 EEADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000646043872 470505229 /nfs/dbraw/zinc/50/52/29/470505229.db2.gz MVNXBCCQPVFKBX-CQSZACIVSA-N -2 3 333.381 2.002 20 0 EEADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1)C(F)(F)F ZINC000663293526 471316247 /nfs/dbraw/zinc/31/62/47/471316247.db2.gz JBJIDCHTKMXOQY-QMMMGPOBSA-N -2 3 343.298 2.147 20 0 EEADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)s1 ZINC000653493706 471639086 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C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccncc1 ZINC001227594610 1301901102 /nfs/dbraw/zinc/90/11/02/1301901102.db2.gz OWFNHRGWYJOKHI-ZCFIWIBFSA-N -2 3 336.149 2.356 20 0 EEADHL CCCNC(=S)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001244884382 1310004423 /nfs/dbraw/zinc/00/44/23/1310004423.db2.gz IQZRVWSZTOCDKE-UHFFFAOYSA-N -2 3 340.426 2.489 20 0 EEADHL CC[C@@H](C)S(=O)(=O)[N-]c1cc(Cl)c(C)cc1S(=O)(=O)[O-] ZINC001260741097 1319961932 /nfs/dbraw/zinc/96/19/32/1319961932.db2.gz YCKDWLYWCDNAOS-MRVPVSSYSA-N -2 3 341.838 2.435 20 0 EEADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)cc1 ZINC001255335476 1318364090 /nfs/dbraw/zinc/36/40/90/1318364090.db2.gz HDXQISWGMJJPJE-UHFFFAOYSA-N -2 3 334.397 2.415 20 0 EEADHL CCc1ccc(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])c([O-])c1 ZINC001605805179 1351225997 /nfs/dbraw/zinc/22/59/97/1351225997.db2.gz SNVBSKJNKHMHJZ-INIZCTEOSA-N -2 3 341.363 2.312 20 0 EEADHL O=C([O-])c1ccc2c(c1)CCN(C(=O)c1nnc3ccccc3c1[O-])C2 ZINC001608921241 1351794695 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339.336 2.119 20 0 EEADHL C[C@H](Sc1ccccc1C(=O)NCc1ncccc1[O-])C(=O)[O-] ZINC001609806559 1352090087 /nfs/dbraw/zinc/09/00/87/1352090087.db2.gz PXLOJOPHOZRIKF-JTQLQIEISA-N -2 3 332.381 2.282 20 0 EEADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC001610376697 1352213109 /nfs/dbraw/zinc/21/31/09/1352213109.db2.gz WTSNXIREXHOAHQ-AWEZNQCLSA-N -2 3 349.364 2.041 20 0 EEADHL Cc1cc([N-]S(=O)(=O)CCOCC(F)(F)F)c(C(=O)[O-])s1 ZINC001600281509 1350009924 /nfs/dbraw/zinc/00/99/24/1350009924.db2.gz CEXRMXXCYIYREH-UHFFFAOYSA-N -2 3 347.336 2.075 20 0 EEADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)[C@@H]2CCCCO2)oc1C(=O)[O-] ZINC001600299774 1350014682 /nfs/dbraw/zinc/01/46/82/1350014682.db2.gz SWKNEMBXBFOSAD-NSHDSACASA-N -2 3 345.417 2.160 20 0 EEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)cc1C(=O)[O-] ZINC001600856078 1350153334 /nfs/dbraw/zinc/15/33/34/1350153334.db2.gz MLVLRKJJBGCISJ-ZETCQYMHSA-N -2 3 344.776 2.374 20 0 EEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCC1CCC(F)(F)CC1 ZINC001602489018 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Cn1ccc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)c([O-])c3)c21 ZINC001606253967 1351287294 /nfs/dbraw/zinc/28/72/94/1351287294.db2.gz OMRNZWBRZJYFGQ-UHFFFAOYSA-N -2 3 334.339 2.316 20 0 EEADHL C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc2c(cc1[O-])OCO2 ZINC001607416904 1351491354 /nfs/dbraw/zinc/49/13/54/1351491354.db2.gz NSAGIWWJWTULNE-NSHDSACASA-N -2 3 343.335 2.236 20 0 EEADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2F)(C(=O)[O-])CC1 ZINC001607464499 1351498403 /nfs/dbraw/zinc/49/84/03/1351498403.db2.gz BYFLEWNTJMCTJA-KMHCFJFGSA-N -2 3 333.356 2.277 20 0 EEADHL O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001608393632 1351686060 /nfs/dbraw/zinc/68/60/60/1351686060.db2.gz YTBBNGQHTDJZSW-PWSUYJOCSA-N -2 3 335.381 2.359 20 0 EEADHL O=C([O-])[C@H](Cc1cncs1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001608401940 1351687490 /nfs/dbraw/zinc/68/74/90/1351687490.db2.gz PAFXWQHMRPHMLS-AWEZNQCLSA-N -2 3 342.376 2.428 20 0 EEADHL Cc1nc(SCc2nc(-c3nnn[n-]3)cs2)[n-]c(=O)c1C1CC1 ZINC001591789512 1403950480 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CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001602970055 971966064 /nfs/dbraw/zinc/96/60/64/971966064.db2.gz JHRRDIZWFRGTSQ-CQSZACIVSA-N -2 3 345.355 2.062 20 0 EEADHL C[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1)c1nc(C(F)(F)F)n[n-]1 ZINC001589109292 956060762 /nfs/dbraw/zinc/06/07/62/956060762.db2.gz VYNQBYYQKHQPLL-LURJTMIESA-N -2 3 343.265 2.404 20 0 EEADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC001609689598 970445134 /nfs/dbraw/zinc/44/51/34/970445134.db2.gz APGBRKQIHMBAKW-CYBMUJFWSA-N -2 3 334.372 2.210 20 0 EEADHL O=C([O-])C1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCCCC1 ZINC001605942237 972890876 /nfs/dbraw/zinc/89/08/76/972890876.db2.gz OLBURUXEWTZCHR-UHFFFAOYSA-N -2 3 329.360 2.230 20 0 EEADHL CC(C)c1ncc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC001592037399 976755603 /nfs/dbraw/zinc/75/56/03/976755603.db2.gz NTVVJGGJPQZEMM-UHFFFAOYSA-N -2 3 335.385 2.240 20 0 EEADHL C[C@H](/C=C/C(=O)[O-])NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001592216395 977283177 /nfs/dbraw/zinc/28/31/77/977283177.db2.gz HYGYZMAJHVCMFG-HQZHTGGTSA-N -2 3 341.389 2.249 20 0 EEADHL C[C@@H](CC(=O)[O-])NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001574004039 983153235 /nfs/dbraw/zinc/15/32/35/983153235.db2.gz MSWYAJTWHPSIHR-ZETCQYMHSA-N -2 3 329.378 2.083 20 0 EEADHL CC(=O)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1[O-] ZINC001589277264 985994179 /nfs/dbraw/zinc/99/41/79/985994179.db2.gz KEFKFENTXXSGOB-OAHLLOKOSA-N -2 3 345.326 2.160 20 0 EEADHL COc1ccc([C@H](NCc2nc(C)ccc2[O-])C(=O)[O-])c(OC)c1 ZINC001599531886 997670413 /nfs/dbraw/zinc/67/04/13/997670413.db2.gz USWIKEOVFGGWSJ-INIZCTEOSA-N -2 3 332.356 2.028 20 0 EEADHL Cc1nc(C=Cc2cnn(CC(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107592 539861181 /nfs/dbraw/zinc/86/11/81/539861181.db2.gz KFKBMDJUERFATI-NSCUHMNNSA-N -2 3 342.277 2.047 20 0 EEADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000262653641 245097385 /nfs/dbraw/zinc/09/73/85/245097385.db2.gz KAEPSWBYYKVAPY-SECBINFHSA-N -2 3 343.298 2.376 20 0 EEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2)n1 ZINC000262673352 245111779 /nfs/dbraw/zinc/11/17/79/245111779.db2.gz XSJTWMIZWZXWMC-OLZOCXBDSA-N -2 3 327.340 2.071 20 0 EEADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000080265936 217294001 /nfs/dbraw/zinc/29/40/01/217294001.db2.gz ZBOQUPDQRJZMMQ-SSDOTTSWSA-N -2 3 332.428 2.251 20 0 EEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])s2)cs1 ZINC000270425777 256133870 /nfs/dbraw/zinc/13/38/70/256133870.db2.gz GSHAKZRRCNOIRN-ZETCQYMHSA-N -2 3 346.455 2.322 20 0 EEADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000270422807 256133957 /nfs/dbraw/zinc/13/39/57/256133957.db2.gz LYICDJDSFHNUQF-UHFFFAOYSA-N -2 3 339.373 2.010 20 0 EEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000342780927 161090364 /nfs/dbraw/zinc/09/03/64/161090364.db2.gz PVHNMRRPISUZSR-UHFFFAOYSA-N -2 3 345.380 2.387 20 0 EEADHL COc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(Cl)c1[O-] ZINC000344911546 161255720 /nfs/dbraw/zinc/25/57/20/161255720.db2.gz XRTGKAHYCSGEBH-UHFFFAOYSA-N -2 3 345.746 2.487 20 0 EEADHL COc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(Cl)c1[O-] ZINC000344911546 161255721 /nfs/dbraw/zinc/25/57/21/161255721.db2.gz XRTGKAHYCSGEBH-UHFFFAOYSA-N -2 3 345.746 2.487 20 0 EEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c1Cl ZINC000274940599 269077043 /nfs/dbraw/zinc/07/70/43/269077043.db2.gz QXBZJWSJOBILNX-SSDOTTSWSA-N -2 3 326.201 2.301 20 0 EEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)s1 ZINC000274963775 269080210 /nfs/dbraw/zinc/08/02/10/269080210.db2.gz HWGUZNDTENUGGD-VHSXEESVSA-N -2 3 329.443 2.353 20 0 EEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)[N-]OC1CCCC1 ZINC000272060009 274164939 /nfs/dbraw/zinc/16/49/39/274164939.db2.gz CATJGGKQJXNVSG-UHFFFAOYSA-N -2 3 342.399 2.476 20 0 EEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c(F)cc1F ZINC000262304619 301398020 /nfs/dbraw/zinc/39/80/20/301398020.db2.gz ABRIUACHCNTVLL-SNVBAGLBSA-N -2 3 335.372 2.298 20 0 EEADHL 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EEADHL C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000566180914 319257237 /nfs/dbraw/zinc/25/72/37/319257237.db2.gz SQVBBZIHMWTAOJ-JTQLQIEISA-N -2 3 340.426 2.141 20 0 EEADHL CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000577984781 320287344 /nfs/dbraw/zinc/28/73/44/320287344.db2.gz VFOWASMTNOUMKJ-GHMZBOCLSA-N -2 3 346.474 2.407 20 0 EEADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000066290446 462871354 /nfs/dbraw/zinc/87/13/54/462871354.db2.gz JBDDUSLOBHOOCE-UHFFFAOYSA-N -2 3 348.380 2.452 20 0 EEADHL COc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000095955624 463114534 /nfs/dbraw/zinc/11/45/34/463114534.db2.gz TWLIFQPBSSWZLQ-MRXNPFEDSA-N -2 3 327.336 2.225 20 0 EEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000085327217 463644298 /nfs/dbraw/zinc/64/42/98/463644298.db2.gz XNOHIOQOILJXFC-KOLCDFICSA-N -2 3 335.784 2.401 20 0 EEADHL C[C@@H]1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000280997702 464293034 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Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1Cl ZINC000385104245 467385416 /nfs/dbraw/zinc/38/54/16/467385416.db2.gz QFTNGIUSKSUJFP-UHFFFAOYSA-N -2 3 328.777 2.486 20 0 EEADHL COCC1(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)CC1 ZINC000582244835 468512188 /nfs/dbraw/zinc/51/21/88/468512188.db2.gz QBXGVOSVFWBQFK-UHFFFAOYSA-N -2 3 331.415 2.027 20 0 EEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(C(C)C)n1)C(=O)[O-] ZINC000582948861 468620464 /nfs/dbraw/zinc/62/04/64/468620464.db2.gz JFILKKJPDPFHEE-NWDGAFQWSA-N -2 3 345.465 2.101 20 0 EEADHL Cc1nc(C=Cc2cccc(-n3cccn3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000560421596 468803504 /nfs/dbraw/zinc/80/35/04/468803504.db2.gz HIMPDYSZPXFVGH-VOTSOKGWSA-N -2 3 336.351 2.474 20 0 EEADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000629292698 469492369 /nfs/dbraw/zinc/49/23/69/469492369.db2.gz UNWRNEKNBGAHIN-CYBMUJFWSA-N -2 3 331.365 2.081 20 0 EEADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)c(F)c1F ZINC000629306073 469497449 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EEADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC000776551960 577462077 /nfs/dbraw/zinc/46/20/77/577462077.db2.gz JJJQOOARHSXKDL-LLVKDONJSA-N -2 3 332.447 2.011 20 0 EEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-] ZINC000776590462 577463673 /nfs/dbraw/zinc/46/36/73/577463673.db2.gz TWNIPJQXGFNRJH-QMMMGPOBSA-N -2 3 329.349 2.269 20 0 EEADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(F)cc2F)s1 ZINC000739712424 578065191 /nfs/dbraw/zinc/06/51/91/578065191.db2.gz UUBDLSUUTNWMJC-UHFFFAOYSA-N -2 3 327.312 2.476 20 0 EEADHL COC(=O)Nc1ccc(C(=O)OCc2occc2C(=O)[O-])cc1[O-] ZINC000831210893 600732656 /nfs/dbraw/zinc/73/26/56/600732656.db2.gz WTFJMZIXZALUMZ-UHFFFAOYSA-N -2 3 335.268 2.219 20 0 EEADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000833028855 601219680 /nfs/dbraw/zinc/21/96/80/601219680.db2.gz QXGGLKZDSJWTIW-STQMWFEESA-N -2 3 339.344 2.260 20 0 EEADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000320851753 601291477 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O=S(=O)(CCc1cccc(Cl)c1)[N-]c1n[n-]c(C(F)F)n1 ZINC000903150916 1239880709 /nfs/dbraw/zinc/88/07/09/1239880709.db2.gz ZTYQRCLYRGPNNP-UHFFFAOYSA-N -2 3 336.751 2.380 20 0 EEADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccc2nsnc2c1 ZINC001186260795 1279016341 /nfs/dbraw/zinc/01/63/41/1279016341.db2.gz DPFPPDPFKJDJKX-UHFFFAOYSA-N -2 3 325.346 2.337 20 0 EEADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc([O-])cc3C(F)(F)F)c1-2 ZINC001193733389 1282683629 /nfs/dbraw/zinc/68/36/29/1282683629.db2.gz IMHLTXWEPGMIRI-UHFFFAOYSA-N -2 3 337.261 2.012 20 0 EEADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccc(Br)cn1 ZINC001196161251 1283929698 /nfs/dbraw/zinc/92/96/98/1283929698.db2.gz UBCWKAVNOMWQPU-UHFFFAOYSA-N -2 3 347.165 2.490 20 0 EEADHL O=P([O-])([O-])CCCCNC(=S)NCc1ccccc1Cl ZINC001196843520 1284286371 /nfs/dbraw/zinc/28/63/71/1284286371.db2.gz AIDNUOXNJNJARJ-UHFFFAOYSA-N -2 3 336.781 2.262 20 0 EEADHL COc1cc([N-]S(=O)(=O)c2ccc(N)c(C)c2)cc(C(=O)[O-])c1 ZINC001213593098 1296102203 /nfs/dbraw/zinc/10/22/03/1296102203.db2.gz 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