smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CCCCC(=O)[O-])S(=O)(=O)c1ccccc1F ZINC000725067371 777576848 /nfs/dbraw/zinc/57/68/48/777576848.db2.gz QMVOYSPEHMJEKB-UHFFFAOYSA-N -1 0 303.355 2.091 10 0 DEAERM Cc1csc(C)c1S(=O)(=O)N[C@@H](C)CCCC(=O)[O-] ZINC000725092617 777584156 /nfs/dbraw/zinc/58/41/56/777584156.db2.gz VKPHOYOHOWNJAH-VIFPVBQESA-N -1 0 305.421 2.287 10 0 DEAERM Cc1csc(C)c1S(=O)(=O)NCC1(CC(=O)[O-])CCC1 ZINC000725105744 777585150 /nfs/dbraw/zinc/58/51/50/777585150.db2.gz VTMFJEOKHWLPES-UHFFFAOYSA-N -1 0 317.432 2.288 10 0 DEAERM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1c(C)sc(C)c1C ZINC000722562976 778781396 /nfs/dbraw/zinc/78/13/96/778781396.db2.gz AMSDJYSJOGGMBB-SNVBAGLBSA-N -1 0 305.421 2.157 10 0 DEAERM Cc1sc(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)c1C ZINC000722573377 778795721 /nfs/dbraw/zinc/79/57/21/778795721.db2.gz STNJVVGRVFSQBW-LLVKDONJSA-N -1 0 317.432 2.205 10 0 DEAERM Cc1sc(C)c(S(=O)(=O)N2CC(C)(C)[C@@H]2C(=O)[O-])c1C ZINC000722573121 778795784 /nfs/dbraw/zinc/79/57/84/778795784.db2.gz PXHPJEGXARPNGL-NSHDSACASA-N -1 0 317.432 2.157 10 0 DEAERM Cc1sc(C)c(S(=O)(=O)N2CC(C)(C)[C@H]2C(=O)[O-])c1C ZINC000722573120 778795854 /nfs/dbraw/zinc/79/58/54/778795854.db2.gz PXHPJEGXARPNGL-LLVKDONJSA-N -1 0 317.432 2.157 10 0 DEAERM Cc1sc(C)c(S(=O)(=O)N2CC[C@H](C)[C@H]2C(=O)[O-])c1C ZINC000722564186 787332255 /nfs/dbraw/zinc/33/22/55/787332255.db2.gz NZNPFARLNREQTJ-CPCISQLKSA-N -1 0 317.432 2.157 10 0 DEAERM Cc1sc(C)c(S(=O)(=O)N[C@@H](C)CCC(=O)[O-])c1C ZINC000722580634 787334524 /nfs/dbraw/zinc/33/45/24/787334524.db2.gz FEQHJFURCAVSGE-ZETCQYMHSA-N -1 0 305.421 2.205 10 0 DEAERM Cc1csc(C)c1S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000725126572 787356318 /nfs/dbraw/zinc/35/63/18/787356318.db2.gz IXASDNNKVDPBHQ-MWLCHTKSSA-N -1 0 317.432 2.239 10 0 DEAERM CO[C@@H](C(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000713236720 792218453 /nfs/dbraw/zinc/21/84/53/792218453.db2.gz 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976896910 /nfs/dbraw/zinc/89/69/10/976896910.db2.gz SSNOHWHNGJTVTI-UHFFFAOYSA-N -1 0 304.165 2.248 10 0 DEAERM O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cccc(Cl)c1[O-] ZINC000077012026 185067732 /nfs/dbraw/zinc/06/77/32/185067732.db2.gz GMTQOCZHTGWFRU-UHFFFAOYSA-N -1 0 317.732 2.327 10 0 DEAERM CCc1ccc(S(=O)(=O)N(CC)CC2CC2)cc1C(=O)[O-] ZINC000162300679 197557534 /nfs/dbraw/zinc/55/75/34/197557534.db2.gz RVBIMYZAPXCLOL-UHFFFAOYSA-N -1 0 311.403 2.368 10 0 DEAERM CCC(CC)NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1F ZINC000162260943 197555883 /nfs/dbraw/zinc/55/58/83/197555883.db2.gz DKGGGRFBFVCGKJ-SOFGYWHQSA-N -1 0 315.366 2.390 10 0 DEAERM CSCCc1nnc(SCC(=O)[O-])n1-c1ccccc1 ZINC000162800000 197593037 /nfs/dbraw/zinc/59/30/37/197593037.db2.gz PYXHLQPVPXLVEL-UHFFFAOYSA-N -1 0 309.416 2.350 10 0 DEAERM C[C@@H]1CCCC[C@]1(NC(=O)NCCOC(C)(C)C)C(=O)[O-] ZINC000162891204 197598575 /nfs/dbraw/zinc/59/85/75/197598575.db2.gz HRCBATXITKRLGP-IAQYHMDHSA-N -1 0 300.399 2.134 10 0 DEAERM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000164713386 197661897 /nfs/dbraw/zinc/66/18/97/197661897.db2.gz NCLHZKWTSLHKJE-HZMBPMFUSA-N -1 0 301.264 2.477 10 0 DEAERM CCC[C@H](CCNC(=O)N(CCC)CCO)CCC(=O)[O-] ZINC000079233891 185162065 /nfs/dbraw/zinc/16/20/65/185162065.db2.gz ADOKHWXSDPKQIY-ZDUSSCGKSA-N -1 0 302.415 2.072 10 0 DEAERM COCCCN(C)C(=O)NCC[C@@H](CCC(=O)[O-])C(C)C ZINC000079252988 185162431 /nfs/dbraw/zinc/16/24/31/185162431.db2.gz WSJNOVNXKURNKO-CYBMUJFWSA-N -1 0 302.415 2.191 10 0 DEAERM CCC[C@H]1CCCN(C(=O)N[C@H](CCOC)C(=O)[O-])CC1 ZINC000079360915 185166960 /nfs/dbraw/zinc/16/69/60/185166960.db2.gz WWKWBVOGKLIJBA-QWHCGFSZSA-N -1 0 300.399 2.088 10 0 DEAERM CC[C@@H](C)N(CCOC)C(=O)NCC(CC)(CC)C(=O)[O-] ZINC000165141473 197671061 /nfs/dbraw/zinc/67/10/61/197671061.db2.gz UWRLODMFXJFSLX-GFCCVEGCSA-N -1 0 302.415 2.334 10 0 DEAERM CC[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000087508911 185227366 /nfs/dbraw/zinc/22/73/66/185227366.db2.gz 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COCc1cc(CSc2nc(C)nc(C)c2C(=O)[O-])no1 ZINC000090254819 185288214 /nfs/dbraw/zinc/28/82/14/185288214.db2.gz KRANPFAOPDVCMI-UHFFFAOYSA-N -1 0 309.347 2.218 10 0 DEAERM CCCN(C(=O)c1ccc(Cl)s1)[C@@H]1COC[C@H]1C(=O)[O-] ZINC000090522340 185300199 /nfs/dbraw/zinc/30/01/99/185300199.db2.gz LWZBHKRFEODIOZ-RKDXNWHRSA-N -1 0 317.794 2.353 10 0 DEAERM CN(Cc1sccc1Br)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090389200 185293917 /nfs/dbraw/zinc/29/39/17/185293917.db2.gz BIIYCNJEAYWVSI-IONNQARKSA-N -1 0 320.208 2.042 10 0 DEAERM CN(C(=O)Nc1cccc(Cl)c1F)[C@@H]1COC[C@@H]1C(=O)[O-] ZINC000090427411 185295536 /nfs/dbraw/zinc/29/55/36/185295536.db2.gz VHMQXCQKLRYSIG-OIBJUYFYSA-N -1 0 316.716 2.042 10 0 DEAERM O=C([O-])C1(CNC(=O)NCc2nccs2)CCCCCC1 ZINC000166619512 197695088 /nfs/dbraw/zinc/69/50/88/197695088.db2.gz VUUHXBKXEXCAKS-UHFFFAOYSA-N -1 0 311.407 2.368 10 0 DEAERM C[C@]1(C(=O)[O-])COC[C@@H]1NC(=O)c1ccc(Cl)cc1Cl ZINC000090568352 185304226 /nfs/dbraw/zinc/30/42/26/185304226.db2.gz ALIXOXHYZREHTH-GWCFXTLKSA-N 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C[C@H]1SC[C@H](C(=O)[O-])N1C(=O)Nc1c(F)cccc1F ZINC000111429692 185599458 /nfs/dbraw/zinc/59/94/58/185599458.db2.gz DTTSFJHLOWABPA-HZGVNTEJSA-N -1 0 302.302 2.345 10 0 DEAERM CC(C)[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)N(C)CC(F)(F)F ZINC000111435158 185600799 /nfs/dbraw/zinc/60/07/99/185600799.db2.gz RPUKHFQOTZMCEE-YUMQZZPRSA-N -1 0 314.329 2.085 10 0 DEAERM O=C([O-])c1cncc(OCc2noc(-c3cccs3)n2)c1 ZINC000111685166 185625348 /nfs/dbraw/zinc/62/53/48/185625348.db2.gz UUJWGXACFPOKKK-UHFFFAOYSA-N -1 0 303.299 2.470 10 0 DEAERM O=C([O-])c1ccc(S[C@H]2CC(=O)N(C3CCCC3)C2=O)o1 ZINC000111936120 185641327 /nfs/dbraw/zinc/64/13/27/185641327.db2.gz LMCZSBCUBPWDNH-JTQLQIEISA-N -1 0 309.343 2.140 10 0 DEAERM Cc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CCC(=O)[O-] ZINC000070312007 190880080 /nfs/dbraw/zinc/88/00/80/190880080.db2.gz GMPXKGIBVAZGQW-SECBINFHSA-N -1 0 305.783 2.180 10 0 DEAERM C[C@H](CCC(=O)[O-])NC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000070311102 190880367 /nfs/dbraw/zinc/88/03/67/190880367.db2.gz JJTZYQZUOSUQHX-MRVPVSSYSA-N -1 0 313.737 2.094 10 0 DEAERM O=C([O-])[C@H](O)c1cc(OC(F)(F)F)ccc1Br ZINC000616576032 362893096 /nfs/dbraw/zinc/89/30/96/362893096.db2.gz LJTCVSBFAKUAMR-SSDOTTSWSA-N -1 0 315.041 2.466 10 0 DEAERM O=C([O-])[C@H](O)c1ccc(Br)cc1OC(F)(F)F ZINC000616576282 362893643 /nfs/dbraw/zinc/89/36/43/362893643.db2.gz QGMCFTMJJSIXRS-SSDOTTSWSA-N -1 0 315.041 2.466 10 0 DEAERM C[C@@H]1CSCCN1C(=O)NCCc1ccccc1C(=O)[O-] ZINC000070551522 190905498 /nfs/dbraw/zinc/90/54/98/190905498.db2.gz CEMIQDKEDUSICG-LLVKDONJSA-N -1 0 308.403 2.074 10 0 DEAERM Cc1nccn1CC[S@](=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000130005973 185927998 /nfs/dbraw/zinc/92/79/98/185927998.db2.gz RKDDLDIEBYRIQO-HXUWFJFHSA-N -1 0 312.778 2.351 10 0 DEAERM CCC[C@H](NC(=O)c1cnc2onc(C(C)C)c2c1)C(=O)[O-] ZINC000185008633 539670197 /nfs/dbraw/zinc/67/01/97/539670197.db2.gz LKKKHZRFUMXSRW-NSHDSACASA-N -1 0 305.334 2.329 10 0 DEAERM C/C(C(=O)[O-])=C(\C)C(=O)NCc1ccccc1Br ZINC000071165644 190937235 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Cc1n[nH]c2cc([N-]S(=O)(=O)c3c(C)nn(C)c3C)ccc12 ZINC000133684912 186007094 /nfs/dbraw/zinc/00/70/94/186007094.db2.gz MKZKLGYYEOAJPO-UHFFFAOYSA-N -1 0 319.390 2.022 10 0 DEAERM CC[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C)CC(=O)[O-] ZINC000147363371 186039821 /nfs/dbraw/zinc/03/98/21/186039821.db2.gz VPKPCYMVVHDGHX-SNVBAGLBSA-N -1 0 319.810 2.428 10 0 DEAERM O=C([O-])c1ccc(S(=O)(=O)Cc2ccc(F)c(F)c2)o1 ZINC000147673370 186040822 /nfs/dbraw/zinc/04/08/22/186040822.db2.gz XHHSRKMWLUEJEA-UHFFFAOYSA-N -1 0 302.254 2.230 10 0 DEAERM Nc1cc(Cl)cc(C(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c1 ZINC000147796425 186041920 /nfs/dbraw/zinc/04/19/20/186041920.db2.gz UNKNSHBPAGMSOE-HYRRULHTSA-N -1 0 308.765 2.151 10 0 DEAERM O=c1c2c3c(sc2[n-]c(=S)n1Cc1ccon1)CCC3 ZINC000149072584 186046772 /nfs/dbraw/zinc/04/67/72/186046772.db2.gz HFFQJNDEAKKBRS-UHFFFAOYSA-N -1 0 305.384 2.272 10 0 DEAERM CCC[C@@](C)(NS(=O)(=O)C[C@H](C)c1ccccc1)C(=O)[O-] ZINC000149328847 186049192 /nfs/dbraw/zinc/04/91/92/186049192.db2.gz 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C[C@H](CN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)[O-] ZINC000261934871 402719515 /nfs/dbraw/zinc/71/95/15/402719515.db2.gz KEZWVXSVHLFZIK-YUELXQCFSA-N -1 0 305.374 2.333 10 0 DEAERM COc1ccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000262833516 402735102 /nfs/dbraw/zinc/73/51/02/402735102.db2.gz CLMIMUGODCRTQU-XUJVJEKNSA-N -1 0 305.374 2.368 10 0 DEAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CC(C)(C)c2ccccc2)C1 ZINC000262891901 402736257 /nfs/dbraw/zinc/73/62/57/402736257.db2.gz CJPUHDGQBLOWLI-HUUCEWRRSA-N -1 0 319.401 2.445 10 0 DEAERM O=C([O-])CCCCC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000263306995 402756823 /nfs/dbraw/zinc/75/68/23/402756823.db2.gz OPMQNPRANTXASH-AWEZNQCLSA-N -1 0 307.346 2.438 10 0 DEAERM C[C@@H](CCOCc1ccccc1)NC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263350207 402761486 /nfs/dbraw/zinc/76/14/86/402761486.db2.gz PHGAYZBPNNCPMG-ZFWWWQNUSA-N -1 0 320.389 2.098 10 0 DEAERM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)NCCC(=O)[O-] ZINC000263369632 402763038 /nfs/dbraw/zinc/76/30/38/402763038.db2.gz MMQVOTYQFWMBJF-QWHCGFSZSA-N -1 0 306.362 2.006 10 0 DEAERM Cc1cccc(NC[C@H]2CCN(c3cccc(C(=O)[O-])n3)C2)[nH+]1 ZINC000263410080 402766933 /nfs/dbraw/zinc/76/69/33/402766933.db2.gz LZQJKEJFGJQPFM-CYBMUJFWSA-N -1 0 312.373 2.422 10 0 DEAERM Cc1coc(CC(=O)[O-])c1C(=O)NCCc1cc(F)cc(F)c1 ZINC000263415177 402767104 /nfs/dbraw/zinc/76/71/04/402767104.db2.gz JTDOWEAIMUGAFW-UHFFFAOYSA-N -1 0 323.295 2.466 10 0 DEAERM COc1ccc2c(CC(=O)N[C@@H](C)[C@H](C)C(=O)[O-])coc2c1 ZINC000263431116 402768991 /nfs/dbraw/zinc/76/89/91/402768991.db2.gz KQSLJUQLHPSKRG-UWVGGRQHSA-N -1 0 305.330 2.209 10 0 DEAERM Cc1coc(CC(=O)[O-])c1C(=O)N[C@H]1COc2ccccc21 ZINC000263445333 402770016 /nfs/dbraw/zinc/77/00/16/402770016.db2.gz QRSXBONIPNBPRH-NSHDSACASA-N -1 0 301.298 2.079 10 0 DEAERM C/C=C/c1ccc(OCC(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000263489073 402774105 /nfs/dbraw/zinc/77/41/05/402774105.db2.gz WGJVSPDNRPAIPJ-IEVRTODYSA-N -1 0 321.373 2.333 10 0 DEAERM Cc1csc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1Br ZINC000263570449 402782660 /nfs/dbraw/zinc/78/26/60/402782660.db2.gz IFMLIAMHIWVNNF-LURJTMIESA-N -1 0 306.181 2.364 10 0 DEAERM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)NCC(F)F ZINC000263495430 402774801 /nfs/dbraw/zinc/77/48/01/402774801.db2.gz SRMFIDLGLCCKGG-NSHDSACASA-N -1 0 300.305 2.027 10 0 DEAERM C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)[C@@H](C)C(=O)[O-] ZINC000263493100 402774823 /nfs/dbraw/zinc/77/48/23/402774823.db2.gz XHECFAGFXUYZIS-NXEZZACHSA-N -1 0 321.764 2.365 10 0 DEAERM CCN(CCOC)C(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000263499731 402775166 /nfs/dbraw/zinc/77/51/66/402775166.db2.gz VCERALAKHFSUSG-OAHLLOKOSA-N -1 0 322.405 2.140 10 0 DEAERM Cc1nnc2n1C[C@@H](C(=O)[O-])N(CC1CCC(C(C)C)CC1)C2 ZINC000263501580 402775816 /nfs/dbraw/zinc/77/58/16/402775816.db2.gz KXALPVANECWPBZ-NRXISQOPSA-N -1 0 320.437 2.318 10 0 DEAERM C[C@@](O)(CNc1nnc(-c2ccccc2Cl)s1)C(=O)[O-] ZINC000263540437 402779420 /nfs/dbraw/zinc/77/94/20/402779420.db2.gz CKLLLTLCPWHELJ-GFCCVEGCSA-N -1 0 313.766 2.106 10 0 DEAERM CS[C@H](CO)[C@H](C)NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184507483 402847947 /nfs/dbraw/zinc/84/79/47/402847947.db2.gz DCTAVDBOGLXKCR-QUBYGPBYSA-N -1 0 307.774 2.027 10 0 DEAERM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1cccnc1 ZINC000274792807 403088155 /nfs/dbraw/zinc/08/81/55/403088155.db2.gz QPHIJDNDOJJXFY-GCKSTJDKSA-N -1 0 300.358 2.339 10 0 DEAERM Cc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000408495743 403817796 /nfs/dbraw/zinc/81/77/96/403817796.db2.gz GIEGZABTNFARMF-ZNMIVQPWSA-N -1 0 307.415 2.377 10 0 DEAERM Cc1ccncc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000408495348 403818654 /nfs/dbraw/zinc/81/86/54/403818654.db2.gz DTIKWZMWOROYRV-KGLIPLIRSA-N -1 0 322.430 2.411 10 0 DEAERM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)[C@@]1(C)C[C@H]1F ZINC000408498464 403819839 /nfs/dbraw/zinc/81/98/39/403819839.db2.gz KZXGMSMENBQGSH-SKDRFNHKSA-N -1 0 305.758 2.201 10 0 DEAERM C[C@H](COCc1ccccc1)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000324496141 404100924 /nfs/dbraw/zinc/10/09/24/404100924.db2.gz MSNGBNUWQBGCLY-FVQBIDKESA-N -1 0 317.385 2.375 10 0 DEAERM O=C([O-])c1cccc(C(=O)NC[C@@H]2CC(=O)Nc3ccccc32)c1 ZINC000365226271 404574751 /nfs/dbraw/zinc/57/47/51/404574751.db2.gz QFBHGMPIQJBSSC-ZDUSSCGKSA-N -1 0 324.336 2.241 10 0 DEAERM O=C([O-])Cc1ccc(OC(F)(F)F)nc1Br ZINC000381227370 405030992 /nfs/dbraw/zinc/03/09/92/405030992.db2.gz IUGUKXNQRQJIJX-UHFFFAOYSA-N -1 0 300.030 2.370 10 0 DEAERM O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000408482334 405217664 /nfs/dbraw/zinc/21/76/64/405217664.db2.gz HBZMOMIZFZFWQT-ZJUUUORDSA-N -1 0 313.341 2.354 10 0 DEAERM CCCc1nc(=NC(=O)NCc2cnc(C)cc2C)s[n-]1 ZINC000455385111 405403607 /nfs/dbraw/zinc/40/36/07/405403607.db2.gz VTWRVAIDYGYUQX-UHFFFAOYSA-N -1 0 305.407 2.246 10 0 DEAERM CC[C@H](CNC(=O)N(CC)CC(=O)[O-])Oc1cccc(C)c1 ZINC000568548616 292348990 /nfs/dbraw/zinc/34/89/90/292348990.db2.gz ZHVGNPSHMFMMPH-CYBMUJFWSA-N -1 0 308.378 2.269 10 0 DEAERM CC[C@@H](CNC(=O)N(CC)CC(=O)[O-])Oc1cccc(F)c1 ZINC000557796375 405629387 /nfs/dbraw/zinc/62/93/87/405629387.db2.gz NAJPBFYVVVQFOI-LBPRGKRZSA-N -1 0 312.341 2.099 10 0 DEAERM CC(=O)c1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000582181528 405686660 /nfs/dbraw/zinc/68/66/60/405686660.db2.gz BCNVMDMCHRHVML-QMTHXVAHSA-N -1 0 304.346 2.464 10 0 DEAERM C[C@H](C(=O)[O-])N(C)C(=O)NCCc1cccc2ccccc21 ZINC000559405834 405736185 /nfs/dbraw/zinc/73/61/85/405736185.db2.gz VMPVGNGTVFSDGD-GFCCVEGCSA-N -1 0 300.358 2.497 10 0 DEAERM CO[C@H]1CC[C@@H](NC(=O)c2cccc(Br)c2[O-])C1 ZINC000530521453 405818925 /nfs/dbraw/zinc/81/89/25/405818925.db2.gz ZYLAUHABJBRONZ-BDAKNGLRSA-N -1 0 314.179 2.452 10 0 DEAERM CCCc1nc(=NC(=O)N2CC(F)(F)C(F)(F)C2)s[n-]1 ZINC000459533836 405945015 /nfs/dbraw/zinc/94/50/15/405945015.db2.gz HRJZHMIKCYCNCP-UHFFFAOYSA-N -1 0 312.292 2.031 10 0 DEAERM O=C(CC/C=C\c1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000532793564 406101151 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ZINC000575647929 406816381 /nfs/dbraw/zinc/81/63/81/406816381.db2.gz UKUKUCPQDWMVDV-UHFFFAOYSA-N -1 0 317.082 2.260 10 0 DEAERM Nc1ccc(Br)c(Br)c1CC(=O)[O-] ZINC000575716780 406823473 /nfs/dbraw/zinc/82/34/73/406823473.db2.gz WJVOBKHWSVWFJO-UHFFFAOYSA-N -1 0 308.957 2.421 10 0 DEAERM Nc1ccc(CC(=O)[O-])c(OC(F)(F)F)c1OC(F)F ZINC000575716865 406823523 /nfs/dbraw/zinc/82/35/23/406823523.db2.gz HELQTFGUOGKCSR-UHFFFAOYSA-N -1 0 301.167 2.396 10 0 DEAERM Nc1c(CC(=O)[O-])cc(OC(F)F)cc1OC(F)(F)F ZINC000575717343 406823537 /nfs/dbraw/zinc/82/35/37/406823537.db2.gz NREIAZBQYNQOOK-UHFFFAOYSA-N -1 0 301.167 2.396 10 0 DEAERM CCn1cc(Br)cc1C(=O)NCC[C@@H](C)C(=O)[O-] ZINC000129156226 196024975 /nfs/dbraw/zinc/02/49/75/196024975.db2.gz LCAOINZZINBCBF-MRVPVSSYSA-N -1 0 317.183 2.111 10 0 DEAERM COC[C@H](C)[S@@](=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000129371979 196043173 /nfs/dbraw/zinc/04/31/73/196043173.db2.gz QWIYURAFDCZVJI-SKLCBMLGSA-N -1 0 321.192 2.290 10 0 DEAERM O=C([O-])[C@@H](Cc1cccc(Cl)c1)c1nccn2cnnc12 ZINC000129423466 196048002 /nfs/dbraw/zinc/04/80/02/196048002.db2.gz YOPMDRHQKXKIRQ-NSHDSACASA-N -1 0 302.721 2.189 10 0 DEAERM COCCCNC(=O)[C@@H](C)Sc1ccc(F)c(C(=O)[O-])c1 ZINC000129573802 196059218 /nfs/dbraw/zinc/05/92/18/196059218.db2.gz XGWGKDJYAVNOHA-SECBINFHSA-N -1 0 315.366 2.157 10 0 DEAERM CCCCN(CCCC)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000129670555 196066696 /nfs/dbraw/zinc/06/66/96/196066696.db2.gz IWTQVZNSQNEVLL-ZDUSSCGKSA-N -1 0 300.399 2.184 10 0 DEAERM Cc1nnc(NC(=O)CSc2ccc(C)c(C(=O)[O-])c2)o1 ZINC000129745148 196072179 /nfs/dbraw/zinc/07/21/79/196072179.db2.gz FIWPMJKEXVBUFJ-UHFFFAOYSA-N -1 0 307.331 2.115 10 0 DEAERM CCCCCC[C@H](C)NC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000129768922 196074805 /nfs/dbraw/zinc/07/48/05/196074805.db2.gz QSQJOSQFIBBWDD-QWHCGFSZSA-N -1 0 300.399 2.230 10 0 DEAERM CC(C)(C)CC(C)(C)NC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000129808638 196077241 /nfs/dbraw/zinc/07/72/41/196077241.db2.gz FSCWKTCWMBGGFB-NSHDSACASA-N -1 0 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/nfs/dbraw/zinc/04/73/74/186047374.db2.gz PCOLCDZRWUIVBM-VIFPVBQESA-N -1 0 310.316 2.471 10 0 DEAERM C[C@H](CC(=O)[O-])Cn1nnnc1[C@@H]1CSc2ccccc21 ZINC000149162954 186048035 /nfs/dbraw/zinc/04/80/35/186048035.db2.gz WLKJLTQEDSYMRQ-MWLCHTKSSA-N -1 0 304.375 2.022 10 0 DEAERM O=C([O-])c1ccc([S@](=O)Cc2cn3ccsc3n2)cc1 ZINC000149290158 186048872 /nfs/dbraw/zinc/04/88/72/186048872.db2.gz GVRZCQQLHYURFY-FQEVSTJZSA-N -1 0 306.368 2.402 10 0 DEAERM Nc1cccc(F)c1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000149354960 186049436 /nfs/dbraw/zinc/04/94/36/186049436.db2.gz VGNQBMDHWAFRDO-UHFFFAOYSA-N -1 0 301.730 2.257 10 0 DEAERM C[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)C12CC3CC(CC(C3)C1)C2 ZINC000249168500 539779224 /nfs/dbraw/zinc/77/92/24/539779224.db2.gz KTMOZLNMGGTENQ-MTEOJBLRSA-N -1 0 321.417 2.340 10 0 DEAERM C[C@@H]1CCC[C@@H](C)N1n1c(SCC(=O)[O-])nnc1C1CC1 ZINC000148650804 186045826 /nfs/dbraw/zinc/04/58/26/186045826.db2.gz XDLYUCOPCFCEPP-NXEZZACHSA-N -1 0 310.423 2.231 10 0 DEAERM Cc1ccc2nc(SCC(=O)[O-])n([C@H]3CCO[C@@H]3C)c2n1 ZINC000150175954 186055656 /nfs/dbraw/zinc/05/56/56/186055656.db2.gz MYLLGSXKPRLCMS-KOLCDFICSA-N -1 0 307.375 2.266 10 0 DEAERM CC[C@H](CCNC(=O)NC[C@H]1CCCS1)CCC(=O)[O-] ZINC000150230507 186055934 /nfs/dbraw/zinc/05/59/34/186055934.db2.gz JFSCTHJWMOWNKH-NWDGAFQWSA-N -1 0 302.440 2.462 10 0 DEAERM CC(C)c1c([O-])[nH]c(=O)n(-c2nc(C(C)(C)C)cs2)c1=O ZINC000164050419 186147200 /nfs/dbraw/zinc/14/72/00/186147200.db2.gz PKKSBCKULYRFLX-VIFPVBQESA-N -1 0 309.391 2.296 10 0 DEAERM C[C@H]1C[C@H]1Cn1c(=O)c2ccsc2nc1SCC(=O)[O-] ZINC000159570460 186127764 /nfs/dbraw/zinc/12/77/64/186127764.db2.gz WVMJAFDOCJIVAY-YUMQZZPRSA-N -1 0 310.400 2.291 10 0 DEAERM CCOC(C)(C)CNC(=O)N[C@]1(C(=O)[O-])CCC[C@H](C)C1 ZINC000159644275 186132446 /nfs/dbraw/zinc/13/24/46/186132446.db2.gz DTIFYFODBWMZGJ-XHDPSFHLSA-N -1 0 300.399 2.134 10 0 DEAERM NC(=O)[C@@H]1CCCN(c2ccc(Cl)cc2/C=C/C(=O)[O-])C1 ZINC000163930604 186143097 /nfs/dbraw/zinc/14/30/97/186143097.db2.gz 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/nfs/dbraw/zinc/16/34/03/354163403.db2.gz PNYHSZZFXKXVBD-UHFFFAOYSA-N -1 0 302.117 2.362 10 0 DEAERM O=C([O-])CCOc1cc(-c2ccncc2)nc(-c2cccnc2)n1 ZINC000073662509 191338778 /nfs/dbraw/zinc/33/87/78/191338778.db2.gz UNSQDKNLMZYGEH-UHFFFAOYSA-N -1 0 322.324 2.454 10 0 DEAERM COCc1cc(OCCC(=O)[O-])nc(-c2ccccc2F)n1 ZINC000073662421 191339571 /nfs/dbraw/zinc/33/95/71/191339571.db2.gz BDCMXKPSBQWWDK-UHFFFAOYSA-N -1 0 306.293 2.283 10 0 DEAERM COc1ccccc1Nc1nc(C)c(C)c(OCC(=O)[O-])n1 ZINC000073698975 191343899 /nfs/dbraw/zinc/34/38/99/191343899.db2.gz RBLVTFPPTLTGBH-UHFFFAOYSA-N -1 0 303.318 2.309 10 0 DEAERM COc1ccc(Nc2nc3c(c(OCC(=O)[O-])n2)CCC3)cc1 ZINC000073699133 191343929 /nfs/dbraw/zinc/34/39/29/191343929.db2.gz CKWIAACFFNJRKS-UHFFFAOYSA-N -1 0 315.329 2.181 10 0 DEAERM COC(=O)c1ccccc1NC(=O)c1[n-]c(=O)nc2ccccc21 ZINC000074743809 191353384 /nfs/dbraw/zinc/35/33/84/191353384.db2.gz ZWXKSNCIVJNBTQ-UHFFFAOYSA-N -1 0 323.308 2.374 10 0 DEAERM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)ncn2C 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ZJHSDTHUFZHLBQ-UHFFFAOYSA-N -1 0 324.336 2.354 10 0 DEAERM O=C([O-])CCCCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000037827838 539335670 /nfs/dbraw/zinc/33/56/70/539335670.db2.gz UVPDWEBSRJHWMM-UHFFFAOYSA-N -1 0 310.419 2.037 10 0 DEAERM COc1ccc([C@H](CC(=O)[O-])n2cnc3ccccc3c2=O)cc1 ZINC000035178504 190661594 /nfs/dbraw/zinc/66/15/94/190661594.db2.gz IBJRIKKRDFIZHY-INIZCTEOSA-N -1 0 324.336 2.469 10 0 DEAERM CCSc1n[nH]c([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000170549957 197778912 /nfs/dbraw/zinc/77/89/12/197778912.db2.gz ZROQKQNYQCRATQ-UHFFFAOYSA-N -1 0 318.811 2.371 10 0 DEAERM CCSCC[C@H](NC(=O)c1ccc2ocnc2c1)C(=O)[O-] ZINC000170588364 197780080 /nfs/dbraw/zinc/78/00/80/197780080.db2.gz PROMKTKLEJIPOM-JTQLQIEISA-N -1 0 308.359 2.154 10 0 DEAERM CC[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1cccs1 ZINC000049530268 190678270 /nfs/dbraw/zinc/67/82/70/190678270.db2.gz BGNCZJLFHIRZHO-SECBINFHSA-N -1 0 314.388 2.204 10 0 DEAERM C[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)c1cc(F)c(F)c(F)c1F ZINC000111409776 185593340 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O=C(c1c([O-])cc(F)cc1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151006587 539524729 /nfs/dbraw/zinc/52/47/29/539524729.db2.gz RXHDLPSZZZARDH-HWPZZCPQSA-N -1 0 311.328 2.438 10 0 DEAERM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)[C@H](O)Cc1ccccc1 ZINC000156284586 539563444 /nfs/dbraw/zinc/56/34/44/539563444.db2.gz AUWPLTWPCICFFC-IINYFYTJSA-N -1 0 321.323 2.392 10 0 DEAERM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(Br)s1 ZINC000069795898 190818772 /nfs/dbraw/zinc/81/87/72/190818772.db2.gz GYGBSUJDDOCBMG-ANLVUFKYSA-N -1 0 304.165 2.115 10 0 DEAERM C[C@@H](CC1CC1)NS(=O)(=O)c1cccc(/C=C/C(=O)[O-])c1 ZINC000070108984 190858528 /nfs/dbraw/zinc/85/85/28/190858528.db2.gz TTXPRGTWRABFTL-AEZGRPFRSA-N -1 0 309.387 2.251 10 0 DEAERM CC(C)N1C(=O)CO[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070275585 190876563 /nfs/dbraw/zinc/87/65/63/190876563.db2.gz AVAVXOAMHBAEJO-CHWSQXEVSA-N -1 0 315.728 2.241 10 0 DEAERM CN(C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(C)(C)CO ZINC000126846491 185897887 /nfs/dbraw/zinc/89/78/87/185897887.db2.gz 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186040899 /nfs/dbraw/zinc/04/08/99/186040899.db2.gz FLTQKLVLDZLXQJ-GFCCVEGCSA-N -1 0 302.440 2.414 10 0 DEAERM O=C([O-])Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)cc1 ZINC000072236127 191080746 /nfs/dbraw/zinc/08/07/46/191080746.db2.gz QPYXKHQQUHJKJE-HMEQZMJYSA-N -1 0 311.337 2.015 10 0 DEAERM C[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)C12CC3CC(CC(C3)C1)C2 ZINC000249168498 539779143 /nfs/dbraw/zinc/77/91/43/539779143.db2.gz KTMOZLNMGGTENQ-KIQOFNSGSA-N -1 0 321.417 2.340 10 0 DEAERM Cc1ccnc2c1nc(SCC(=O)[O-])n2N1CCCCC1 ZINC000148723926 186045550 /nfs/dbraw/zinc/04/55/50/186045550.db2.gz IYTUUZCQTSMEEK-UHFFFAOYSA-N -1 0 306.391 2.038 10 0 DEAERM O=C([O-])CSc1nc2cc(Cl)cnc2n1Cc1ccon1 ZINC000148761966 186045609 /nfs/dbraw/zinc/04/56/09/186045609.db2.gz MTISMIGHPHVAFU-UHFFFAOYSA-N -1 0 324.749 2.298 10 0 DEAERM CCC[C@@H]1SC[C@@H](C(=O)[O-])N1C(=O)NC[C@@H]1CCCS1 ZINC000150229115 186056159 /nfs/dbraw/zinc/05/61/59/186056159.db2.gz SHFZMCWJCPBMDV-DCAQKATOSA-N -1 0 318.464 2.220 10 0 DEAERM CC(C)(C(=O)[O-])C(=O)NCCc1ccc(Br)cc1 ZINC000258761933 539786717 /nfs/dbraw/zinc/78/67/17/539786717.db2.gz RBZDIYBWXGASQR-UHFFFAOYSA-N -1 0 314.179 2.219 10 0 DEAERM CC(C)c1ccccc1-n1c(CO)nnc1SCC(=O)[O-] ZINC000155691230 186103708 /nfs/dbraw/zinc/10/37/08/186103708.db2.gz HAUCDGDZKWICIU-UHFFFAOYSA-N -1 0 307.375 2.060 10 0 DEAERM NC(=O)[C@@H]1CCCCN1c1cc(Cl)ccc1/C=C/C(=O)[O-] ZINC000163996935 186145689 /nfs/dbraw/zinc/14/56/89/186145689.db2.gz WMGUEZCWCQUFFX-PZBABLGHSA-N -1 0 308.765 2.282 10 0 DEAERM CCOC(C)(C)CNC(=O)NCCC(C)(C)CCC(=O)[O-] ZINC000159665895 186134130 /nfs/dbraw/zinc/13/41/30/186134130.db2.gz LLLWQZBVDATPRT-UHFFFAOYSA-N -1 0 302.415 2.382 10 0 DEAERM C[C@@H](C1CC1)n1c([O-])c(-c2cccc(Cl)c2)c(=O)[nH]c1=O ZINC000163851165 186140654 /nfs/dbraw/zinc/14/06/54/186140654.db2.gz MPYJJRILRIXAQU-QPUJVOFHSA-N -1 0 306.749 2.301 10 0 DEAERM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc[nH]c2)cc1 ZINC000164457973 186159426 /nfs/dbraw/zinc/15/94/26/186159426.db2.gz IPSQGDKXXRNCKQ-JTQLQIEISA-N -1 0 308.359 2.394 10 0 DEAERM CCC1(CC)CN(C(=O)c2ccc(F)cc2[O-])CC[S@]1=O ZINC000183875698 186226527 /nfs/dbraw/zinc/22/65/27/186226527.db2.gz YMAMNWVZFNVZHG-OAQYLSRUSA-N -1 0 313.394 2.295 10 0 DEAERM C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000172110523 198040675 /nfs/dbraw/zinc/04/06/75/198040675.db2.gz PBCWHMRFOHJYED-QMMMGPOBSA-N -1 0 308.721 2.396 10 0 DEAERM CCOC(=O)c1cc([S@](=O)[O-])c(F)cc1Br ZINC000304631844 539861921 /nfs/dbraw/zinc/86/19/21/539861921.db2.gz QSOAMBDUZMQFFC-UHFFFAOYSA-N -1 0 311.128 2.346 10 0 DEAERM CC(C)[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])C1CC1 ZINC000323928105 539907016 /nfs/dbraw/zinc/90/70/16/539907016.db2.gz YANVXHLPAJYJGL-JTQLQIEISA-N -1 0 303.405 2.159 10 0 DEAERM CC(C)CCO[C@@H](C)C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000236749812 201991507 /nfs/dbraw/zinc/99/15/07/201991507.db2.gz XMIDRMJMHFVCAO-HOCLYGCPSA-N -1 0 321.417 2.497 10 0 DEAERM Cc1cccc([C@@H](C(=O)[O-])N2CC(NC(=O)OC(C)(C)C)C2)c1 ZINC000002546280 353991673 /nfs/dbraw/zinc/99/16/73/353991673.db2.gz UYKWMDCJMUAMFI-AWEZNQCLSA-N -1 0 320.389 2.330 10 0 DEAERM CSCC[C@@H](NC(=O)COc1cc(C)ccc1C)C(=O)[O-] ZINC000008027521 354009347 /nfs/dbraw/zinc/00/93/47/354009347.db2.gz GPJYJXPFLFSTJK-GFCCVEGCSA-N -1 0 311.403 2.005 10 0 DEAERM CCCn1nccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000066253161 354706605 /nfs/dbraw/zinc/70/66/05/354706605.db2.gz RDHBFNXUSFFIFB-UHFFFAOYSA-N -1 0 307.375 2.297 10 0 DEAERM Cc1nc(NCc2ccc(F)cc2)nc(OCC(=O)[O-])c1C ZINC000073706420 191344959 /nfs/dbraw/zinc/34/49/59/191344959.db2.gz PUOCDKCGKQCMAQ-UHFFFAOYSA-N -1 0 305.309 2.308 10 0 DEAERM O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000085322421 192488949 /nfs/dbraw/zinc/48/89/49/192488949.db2.gz QJHJRSORYXMVCF-RKDXNWHRSA-N -1 0 315.167 2.150 10 0 DEAERM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000143019282 355896714 /nfs/dbraw/zinc/89/67/14/355896714.db2.gz OYJRJTSJFQSVCL-GWCFXTLKSA-N -1 0 307.321 2.110 10 0 DEAERM 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320.798 2.427 10 0 DEAERM CCc1ccc(S(=O)(=O)N2CCC[C@@]2(CC)C(=O)[O-])s1 ZINC000215496931 402283012 /nfs/dbraw/zinc/28/30/12/402283012.db2.gz ZNWRRORCWXYUHL-ZDUSSCGKSA-N -1 0 317.432 2.328 10 0 DEAERM CC(C)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000187727006 402510187 /nfs/dbraw/zinc/51/01/87/402510187.db2.gz GDYRHKNNSHUXMC-KGLIPLIRSA-N -1 0 323.414 2.109 10 0 DEAERM O=C([O-])C1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CCC1 ZINC000164860156 402469673 /nfs/dbraw/zinc/46/96/73/402469673.db2.gz BNZAKLNLLZLPQH-UHFFFAOYSA-N -1 0 307.733 2.239 10 0 DEAERM COC(=O)c1cccc2[nH]c(NC(=O)[C@@H]3CCCO[C@@H]3C)nc21 ZINC000189621926 402547844 /nfs/dbraw/zinc/54/78/44/402547844.db2.gz RDMYPDPYKPQGRI-NXEZZACHSA-N -1 0 317.345 2.103 10 0 DEAERM Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCC(C)(C)O2)c1 ZINC000188755815 402525166 /nfs/dbraw/zinc/52/51/66/402525166.db2.gz ZVNQDGQBBKVERY-NSHDSACASA-N -1 0 301.383 2.370 10 0 DEAERM CCCN(CC)c1ccc(C(=O)Nc2nc(OC)n[nH]2)cc1 ZINC000179367506 402586905 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CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000263099712 402743593 /nfs/dbraw/zinc/74/35/93/402743593.db2.gz QZOJQYIVFIDQEO-ZMSDIMECSA-N -1 0 317.385 2.271 10 0 DEAERM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2c(C)cc(C)cc2C)C1 ZINC000263142149 402745342 /nfs/dbraw/zinc/74/53/42/402745342.db2.gz UHEWCSDPVWZGJQ-ZIAGYGMSSA-N -1 0 305.374 2.316 10 0 DEAERM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2c(C)cc(C)cc2C)C1 ZINC000263142145 402745588 /nfs/dbraw/zinc/74/55/88/402745588.db2.gz UHEWCSDPVWZGJQ-KGLIPLIRSA-N -1 0 305.374 2.316 10 0 DEAERM O=C([O-])CCCCC(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000263275278 402753118 /nfs/dbraw/zinc/75/31/18/402753118.db2.gz ITYQOGCAGFCZDS-AWEZNQCLSA-N -1 0 309.337 2.371 10 0 DEAERM COc1ccc(CCC(=O)N2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC000263463710 402771627 /nfs/dbraw/zinc/77/16/27/402771627.db2.gz QOTFOTQJDWTPJH-QGZVFWFLSA-N -1 0 321.373 2.102 10 0 DEAERM Cc1coc(CC(=O)[O-])c1C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000263462780 402771691 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O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)c1cc(F)ccc1Cl ZINC000287448461 403601165 /nfs/dbraw/zinc/60/11/65/403601165.db2.gz HXYFMTIUVGZLBN-SNVBAGLBSA-N -1 0 321.757 2.011 10 0 DEAERM Cc1nc(C=Cc2cccc(O)c2)[nH]c(=O)c1CCC(=O)[O-] ZINC000347414106 403701313 /nfs/dbraw/zinc/70/13/13/403701313.db2.gz OZMFYEBJWSBYKV-ALCCZGGFSA-N -1 0 300.314 2.384 10 0 DEAERM CC[C@@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000408493041 403816113 /nfs/dbraw/zinc/81/61/13/403816113.db2.gz FTOJSLULGOSACR-SKDRFNHKSA-N -1 0 302.421 2.001 10 0 DEAERM CC(=O)N(C)c1cccc(NC(=O)CC2(C(=O)[O-])CCC2)c1 ZINC000352238493 404238691 /nfs/dbraw/zinc/23/86/91/404238691.db2.gz UAAGXEZNYFKZPJ-UHFFFAOYSA-N -1 0 304.346 2.253 10 0 DEAERM CSc1nc(NC(=O)c2cn(C)c3ccc(F)cc23)n[nH]1 ZINC000435610011 404994526 /nfs/dbraw/zinc/99/45/26/404994526.db2.gz FDROICMRFZQJDE-UHFFFAOYSA-N -1 0 305.338 2.410 10 0 DEAERM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000408046900 405098609 /nfs/dbraw/zinc/09/86/09/405098609.db2.gz DUPCQSRXZDAMCB-UHFFFAOYSA-N -1 0 316.448 2.435 10 0 DEAERM C[C@H](CN(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(C)(C)C ZINC000399636003 405062112 /nfs/dbraw/zinc/06/21/12/405062112.db2.gz IFTWEDRTFHWIGS-SECBINFHSA-N -1 0 302.396 2.016 10 0 DEAERM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c(C)c1 ZINC000408107333 405113720 /nfs/dbraw/zinc/11/37/20/405113720.db2.gz OHKAGOYMHXGITL-NHAGDIPZSA-N -1 0 323.414 2.245 10 0 DEAERM CCCc1nc(=NC(=O)N[C@@H](C)c2cnn(CC)c2)s[n-]1 ZINC000455367524 405402071 /nfs/dbraw/zinc/40/20/71/405402071.db2.gz APYSZXNJVBGWOI-VIFPVBQESA-N -1 0 308.411 2.012 10 0 DEAERM C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CC[C@H]1C(=O)[O-] ZINC000448993478 405490352 /nfs/dbraw/zinc/49/03/52/405490352.db2.gz COFQOMDDOUCZQM-IUODEOHRSA-N -1 0 313.357 2.055 10 0 DEAERM C/C=C/C[C@H](NC(=O)NC[C@H](C)c1nc(C)cs1)C(=O)[O-] ZINC000582159850 405679726 /nfs/dbraw/zinc/67/97/26/405679726.db2.gz RLOBLIFRYUFUDD-JOEPOWSHSA-N -1 0 311.407 2.274 10 0 DEAERM 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Cc1nc([C@H](C)NC(=O)c2ccc(C)nc2)sc1C(=O)[O-] ZINC000237604824 648393012 /nfs/dbraw/zinc/39/30/12/648393012.db2.gz KFWZFNKDVYCYCI-VIFPVBQESA-N -1 0 305.359 2.344 10 0 DEAERM CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)[C@@H](C)CC ZINC000181888590 648776110 /nfs/dbraw/zinc/77/61/10/648776110.db2.gz XSFKEOWCLSBRSY-VIFPVBQESA-N -1 0 303.355 2.083 10 0 DEAERM Cc1cc(S(=O)(=O)NC2CC(C)(C)C2)sc1C(=O)[O-] ZINC000395281736 685460202 /nfs/dbraw/zinc/46/02/02/685460202.db2.gz CVHUAGJPURAORB-UHFFFAOYSA-N -1 0 303.405 2.222 10 0 DEAERM Cc1nc(C)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])s1 ZINC000044298560 683903404 /nfs/dbraw/zinc/90/34/04/683903404.db2.gz SGOKKONJDUQRKC-VIFPVBQESA-N -1 0 300.380 2.280 10 0 DEAERM CC(C)CS(=O)(=O)[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC000118145882 684070556 /nfs/dbraw/zinc/07/05/56/684070556.db2.gz ITIOZBRFMJNFOP-LBPRGKRZSA-N -1 0 311.403 2.045 10 0 DEAERM Cc1cc(S(=O)(=O)N[C@H](C)C(C)(C)C)sc1C(=O)[O-] ZINC000122421797 684115198 /nfs/dbraw/zinc/11/51/98/684115198.db2.gz 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