smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1oc(-c2ccccc2)nc1COC(=O)c1cnn(C)c1 ZINC000010800303 501015496 /nfs/dbraw/zinc/01/54/96/501015496.db2.gz LQWHQBSGUZORCJ-UHFFFAOYSA-N 0 0 297.314 2.741 50 0 CFAARN Cc1cc(CNc2ccc3c(c2)OCC(=O)N3)c(C)o1 ZINC000096502784 533741022 /nfs/dbraw/zinc/74/10/22/533741022.db2.gz UKZNGGKLVRNXEM-UHFFFAOYSA-N 0 0 272.304 2.839 50 0 CFAARN Cc1ccc(CC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000000471196 533758120 /nfs/dbraw/zinc/75/81/20/533758120.db2.gz PNKXDCTXFSWWKO-UHFFFAOYSA-N 0 0 269.300 2.905 50 0 CFAARN CSC[C@H](C)OC(=O)c1cncc(Br)c1 ZINC000096452575 533783892 /nfs/dbraw/zinc/78/38/92/533783892.db2.gz KIKXIDZRJJTNGB-ZETCQYMHSA-N 0 0 290.182 2.752 50 0 CFAARN C[C@@H](OCC1CC1)C(=O)Nc1ccc(Cl)cc1O ZINC000096484155 533876255 /nfs/dbraw/zinc/87/62/55/533876255.db2.gz UTLBNPDMCKRZRO-MRVPVSSYSA-N 0 0 269.728 2.799 50 0 CFAARN COc1ccc(Cl)cc1[C@@H](C)NCc1ccnn1C ZINC000096476603 533885409 /nfs/dbraw/zinc/88/54/09/533885409.db2.gz XXCNIOHHYTTZGR-SNVBAGLBSA-N 0 0 279.771 2.933 50 0 CFAARN CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000098010330 533950140 /nfs/dbraw/zinc/95/01/40/533950140.db2.gz NKRMKOXGWCJNFE-CHWSQXEVSA-N 0 0 264.394 2.794 50 0 CFAARN COC(=O)c1ccc(/C=C2/C(=O)Nc3ccccc32)o1 ZINC000096481792 533958282 /nfs/dbraw/zinc/95/82/82/533958282.db2.gz FSPPZBHXOVRUGT-DHZHZOJOSA-N 0 0 269.256 2.559 50 0 CFAARN C[C@@H](CNC(=O)NCC[C@@H]1CCCO1)Cc1cccs1 ZINC000096439175 533958627 /nfs/dbraw/zinc/95/86/27/533958627.db2.gz CSTAHVDNSORGAT-OLZOCXBDSA-N 0 0 296.436 2.795 50 0 CFAARN COc1ccccc1C1CCN(Cc2c[nH]cn2)CC1 ZINC000097819684 534005660 /nfs/dbraw/zinc/00/56/60/534005660.db2.gz BFTHDWCXXBWRHA-UHFFFAOYSA-N 0 0 271.364 2.798 50 0 CFAARN COC(=O)c1ccc(NC(=O)N2CCCC2)cc1Cl ZINC000098010565 534206433 /nfs/dbraw/zinc/20/64/33/534206433.db2.gz SJKUWMALHZDBMC-UHFFFAOYSA-N 0 0 282.727 2.754 50 0 CFAARN C[C@@H]1SCCN(C(=O)c2ccc(F)cc2F)[C@H]1C ZINC000098010515 534219254 /nfs/dbraw/zinc/21/92/54/534219254.db2.gz OBGKQCQOARHHLB-IUCAKERBSA-N 0 0 271.332 2.931 50 0 CFAARN C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc(F)cc1F ZINC000098010514 534253268 /nfs/dbraw/zinc/25/32/68/534253268.db2.gz OBGKQCQOARHHLB-BDAKNGLRSA-N 0 0 271.332 2.931 50 0 CFAARN C[C@@H]1CN(C(=O)CCC2CCCCC2)C[C@H](C)O1 ZINC000016989370 534301729 /nfs/dbraw/zinc/30/17/29/534301729.db2.gz NRAXAGZJTDYJOX-BETUJISGSA-N 0 0 253.386 2.983 50 0 CFAARN O=c1oc2cccnc2n1Cc1coc(-c2cccs2)n1 ZINC000096448181 534324838 /nfs/dbraw/zinc/32/48/38/534324838.db2.gz WGFLPMPDRVBAFT-UHFFFAOYSA-N 0 0 299.311 2.754 50 0 CFAARN COc1ccc(C(=O)Nn2c(C)ccc2C)cc1OC ZINC000000608666 518146585 /nfs/dbraw/zinc/14/65/85/518146585.db2.gz VFKAIZFZZCSFBV-UHFFFAOYSA-N 0 0 274.320 2.506 50 0 CFAARN C[C@@H]1C[C@H](N(C)Cc2ccccc2Br)C(=O)O1 ZINC000069373043 518180733 /nfs/dbraw/zinc/18/07/33/518180733.db2.gz WKYKXXSZAQJRDC-SKDRFNHKSA-N 0 0 298.180 2.585 50 0 CFAARN Cc1nc(CNC(=O)[C@@H]2CSc3ccccc32)oc1C ZINC000098010522 534382731 /nfs/dbraw/zinc/38/27/31/534382731.db2.gz OKTZLXBMRNTPCJ-GFCCVEGCSA-N 0 0 288.372 2.797 50 0 CFAARN O=C(CCCn1cccc1)Nc1cnc(C2CC2)nc1 ZINC000096487470 534388292 /nfs/dbraw/zinc/38/82/92/534388292.db2.gz LJBBKURWPBYFTG-UHFFFAOYSA-N 0 0 270.336 2.574 50 0 CFAARN c1cc(CSC2CCOCC2)cc2nonc12 ZINC000408518468 534469813 /nfs/dbraw/zinc/46/98/13/534469813.db2.gz JMYDIDHGJRGPJJ-UHFFFAOYSA-N 0 0 250.323 2.635 50 0 CFAARN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1CO ZINC000096492170 534483568 /nfs/dbraw/zinc/48/35/68/534483568.db2.gz VCLAQNCLUNOKLG-JHJVBQTASA-N 0 0 279.405 2.533 50 0 CFAARN CCC[C@H](C(=O)N1Cc2cnc(CC)nc2C1)n1cccc1 ZINC000067983361 520976957 /nfs/dbraw/zinc/97/69/57/520976957.db2.gz XNXQYYOSKNEQLV-OAHLLOKOSA-N 0 0 298.390 2.724 50 0 CFAARN CCOC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000047202742 521473008 /nfs/dbraw/zinc/47/30/08/521473008.db2.gz LNRKUADXMNKGSD-UHFFFAOYSA-N 0 0 253.607 2.931 50 0 CFAARN CCCc1nnc(N[C@H](C)Cc2ncccc2C)o1 ZINC000095353342 521568442 /nfs/dbraw/zinc/56/84/42/521568442.db2.gz FIVYIOAMQMVKLR-LLVKDONJSA-N 0 0 260.341 2.769 50 0 CFAARN COC(=O)c1ccc(/C=C(\C)c2cnccn2)cc1 ZINC000180380078 521933828 /nfs/dbraw/zinc/93/38/28/521933828.db2.gz SYGPIGKJGVCANY-PKNBQFBNSA-N 0 0 254.289 2.824 50 0 CFAARN COC[C@H]1CCN(C(=O)CCSCc2ccccc2)C1 ZINC000223154146 522837401 /nfs/dbraw/zinc/83/74/01/522837401.db2.gz FJRIZHBXLCQKRP-HNNXBMFYSA-N 0 0 293.432 2.805 50 0 CFAARN O=C(NCc1ccsc1)[C@H](O)c1ccccc1Cl ZINC000179707751 534693325 /nfs/dbraw/zinc/69/33/25/534693325.db2.gz JEJYEMXRAJPEPK-GFCCVEGCSA-N 0 0 281.764 2.751 50 0 CFAARN CO[C@@H]1CCCC[C@@H]1NC(=O)NCCC[C@H]1CCCCO1 ZINC000242242343 523564142 /nfs/dbraw/zinc/56/41/42/523564142.db2.gz XUATXNYYGRIOEN-QLFBSQMISA-N 0 0 298.427 2.593 50 0 CFAARN CO[C@@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC000360980080 523666923 /nfs/dbraw/zinc/66/69/23/523666923.db2.gz RIQMKWMSFNEIKN-CQSZACIVSA-N 0 0 253.386 2.984 50 0 CFAARN CCc1ccc(C(=O)N2C[C@@H](C)OC[C@@H]2C)s1 ZINC000045447761 523888761 /nfs/dbraw/zinc/88/87/61/523888761.db2.gz GWRNCLHBONATOO-VHSXEESVSA-N 0 0 253.367 2.560 50 0 CFAARN C[C@@H]1CCC[C@@H](Nc2nnnn2-c2ccccc2)[C@H]1C ZINC000239667167 524317739 /nfs/dbraw/zinc/31/77/39/524317739.db2.gz BPFDMCDSJFPSCR-MBNYWOFBSA-N 0 0 271.368 2.899 50 0 CFAARN Cc1cc(C)c2c(c1)[C@H](NC(=O)c1ccc[nH]1)CCO2 ZINC000069535285 524347946 /nfs/dbraw/zinc/34/79/46/524347946.db2.gz ABHJMSSXFWMJTH-CYBMUJFWSA-N 0 0 270.332 2.885 50 0 CFAARN O=C(NC(=S)NC1CCCCC1)c1cccs1 ZINC000000503237 534780828 /nfs/dbraw/zinc/78/08/28/534780828.db2.gz JBMREXKZLALRJN-UHFFFAOYSA-N 0 0 268.407 2.685 50 0 CFAARN C[C@H](NC(=O)Nc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000076063585 525121361 /nfs/dbraw/zinc/12/13/61/525121361.db2.gz WRNZPFBNDDJREA-QMMMGPOBSA-N 0 0 280.278 2.581 50 0 CFAARN C[C@@H]1COCCN1Cc1coc(-c2ccccc2)n1 ZINC000048251361 525128241 /nfs/dbraw/zinc/12/82/41/525128241.db2.gz HBMYBDSUQHMXLK-GFCCVEGCSA-N 0 0 258.321 2.562 50 0 CFAARN Cc1ccccc1[C@H](NC(=O)N(C)CC[C@@H](C)O)C1CC1 ZINC000096481489 534838576 /nfs/dbraw/zinc/83/85/76/534838576.db2.gz JQVFOIGJBKGFQW-CZUORRHYSA-N 0 0 290.407 2.858 50 0 CFAARN Cc1ccc(NC(=O)[C@H](C)n2cnc3ccccc32)nc1 ZINC000032914206 525215776 /nfs/dbraw/zinc/21/57/76/525215776.db2.gz WNNBIIXZTOFILP-LBPRGKRZSA-N 0 0 280.331 2.939 50 0 CFAARN C[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000055682340 525481650 /nfs/dbraw/zinc/48/16/50/525481650.db2.gz ZMRZOMMVMSYZCV-YIYPIFLZSA-N 0 0 288.391 2.895 50 0 CFAARN CSC[C@@H](C)C(=O)Nc1cc(C)c(O)cc1C ZINC000302044714 525613782 /nfs/dbraw/zinc/61/37/82/525613782.db2.gz WGYSDBNQACQDQR-SNVBAGLBSA-N 0 0 253.367 2.947 50 0 CFAARN O=S(=O)(c1ccc2ccccc2c1)n1cccc1 ZINC000016989650 534873234 /nfs/dbraw/zinc/87/32/34/534873234.db2.gz PPBYACMNCDEFNG-UHFFFAOYSA-N 0 0 257.314 2.878 50 0 CFAARN C[C@H](C(=O)N[C@@H]1CCCOc2ccccc21)c1ccnn1C ZINC000335495216 526101749 /nfs/dbraw/zinc/10/17/49/526101749.db2.gz NJJOEAHRXUGYQQ-GXTWGEPZSA-N 0 0 299.374 2.554 50 0 CFAARN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1ccsc1 ZINC000096443780 526432889 /nfs/dbraw/zinc/43/28/89/526432889.db2.gz SUGWHCISSDTRRU-UHFFFAOYSA-N 0 0 298.408 2.781 50 0 CFAARN Cc1nc(-c2cccc(NC(=O)c3oc(C)nc3C)c2)n[nH]1 ZINC000174710991 526593481 /nfs/dbraw/zinc/59/34/81/526593481.db2.gz VLLYLYSBHTYTHK-UHFFFAOYSA-N 0 0 297.318 2.637 50 0 CFAARN O=C(NCc1cccnc1OC1CCCC1)C1CCC1 ZINC000032915195 526771657 /nfs/dbraw/zinc/77/16/57/526771657.db2.gz FMYZFVZRLDLCGE-UHFFFAOYSA-N 0 0 274.364 2.819 50 0 CFAARN CC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 ZINC000096468550 526880220 /nfs/dbraw/zinc/88/02/20/526880220.db2.gz BITJQXKJNARNKC-SECBINFHSA-N 0 0 251.301 2.812 50 0 CFAARN CC(=O)Nc1c(C)cc(NCc2ccc(CO)o2)cc1C ZINC000096456859 526907898 /nfs/dbraw/zinc/90/78/98/526907898.db2.gz OGHMJKYLYQISLT-UHFFFAOYSA-N 0 0 288.347 2.959 50 0 CFAARN Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)no1 ZINC000076043243 527050474 /nfs/dbraw/zinc/05/04/74/527050474.db2.gz CBADUSFVSNZFIE-CABCVRRESA-N 0 0 297.358 2.772 50 0 CFAARN CC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 ZINC000004070014 527095550 /nfs/dbraw/zinc/09/55/50/527095550.db2.gz DDXKHIFHQNBHPD-UHFFFAOYSA-N 0 0 260.318 2.971 50 0 CFAARN O=S(=O)(CCCc1ccccc1)c1nccs1 ZINC000063871171 527174268 /nfs/dbraw/zinc/17/42/68/527174268.db2.gz GSLHWIUPQNPSLB-UHFFFAOYSA-N 0 0 267.375 2.550 50 0 CFAARN CC(C)(Cc1ccc(O)cc1)NC(=O)CSCC1CC1 ZINC000426555880 527232640 /nfs/dbraw/zinc/23/26/40/527232640.db2.gz JJQSMKUFJAZJFT-UHFFFAOYSA-N 0 0 293.432 2.973 50 0 CFAARN O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1C=CCCC1 ZINC000152512976 527285535 /nfs/dbraw/zinc/28/55/35/527285535.db2.gz HMHKACYEQZMZGV-LLVKDONJSA-N 0 0 274.320 2.688 50 0 CFAARN N[C@@H](Cc1c[nH]c2ccccc12)c1nc(CC2CC2)no1 ZINC000158508827 527334196 /nfs/dbraw/zinc/33/41/96/527334196.db2.gz NVYYTVYOZOGKOB-ZDUSSCGKSA-N 0 0 282.347 2.746 50 0 CFAARN Cc1ncsc1CNC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000078941297 527505769 /nfs/dbraw/zinc/50/57/69/527505769.db2.gz PBTFJICPDFUWLO-VXGBXAGGSA-N 0 0 279.409 2.926 50 0 CFAARN O=C([O-])CCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000050926230 527575198 /nfs/dbraw/zinc/57/51/98/527575198.db2.gz BFALYWUYXVANAL-UHFFFAOYSA-N 0 0 265.328 2.903 50 0 CFAARN CCN(C)C(=O)NC[C@H]1CCCc2cc(OC)ccc21 ZINC000096503303 527734555 /nfs/dbraw/zinc/73/45/55/527734555.db2.gz KZQCSKIRNIKPFV-CYBMUJFWSA-N 0 0 276.380 2.776 50 0 CFAARN CC(C)[C@H]1CN(C(=O)NC2CCSCC2)CCS1 ZINC000098014529 527831795 /nfs/dbraw/zinc/83/17/95/527831795.db2.gz BDVDHXLQXVQQKE-GFCCVEGCSA-N 0 0 288.482 2.665 50 0 CFAARN CCCC(=O)Nc1nc2ncccc2cc1C(=O)OCC ZINC000408516110 527968750 /nfs/dbraw/zinc/96/87/50/527968750.db2.gz PHRBABRQMAVDFT-UHFFFAOYSA-N 0 0 287.319 2.545 50 0 CFAARN CC(C)[C@@H](C)N(C(=O)NCc1ccncc1)C1CC1 ZINC000096461364 528400243 /nfs/dbraw/zinc/40/02/43/528400243.db2.gz JPRGYCLZRHXCOE-GFCCVEGCSA-N 0 0 261.369 2.800 50 0 CFAARN CC(C)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000004073974 528412925 /nfs/dbraw/zinc/41/29/25/528412925.db2.gz NHWFXGGAUMGJJR-HNNXBMFYSA-N 0 0 299.374 2.677 50 0 CFAARN CCC(C)(C)COC(=O)c1ccc(C(=O)N(C)C)nc1C ZINC000096442988 528534318 /nfs/dbraw/zinc/53/43/18/528534318.db2.gz QKSWRWOTJZKSHY-UHFFFAOYSA-N 0 0 292.379 2.685 50 0 CFAARN CCCc1cnc(NC(=O)[C@@H]2CC[C@H](C)O2)s1 ZINC000096494097 528657031 /nfs/dbraw/zinc/65/70/31/528657031.db2.gz QSSNJTTYVCVLHM-WPRPVWTQSA-N 0 0 254.355 2.602 50 0 CFAARN CCCc1cnc(NC(=O)c2cnn(CC)c2)s1 ZINC000096494110 528657276 /nfs/dbraw/zinc/65/72/76/528657276.db2.gz UYGJACSTNGRCAY-UHFFFAOYSA-N 0 0 264.354 2.564 50 0 CFAARN CCOc1cccc(COC(=O)c2scnc2C)n1 ZINC000096472973 528658397 /nfs/dbraw/zinc/65/83/97/528658397.db2.gz NVWXXQXPMWJAHH-UHFFFAOYSA-N 0 0 278.333 2.602 50 0 CFAARN CCOC(=O)CN(C(=O)c1ccncc1Cl)C(C)(C)C ZINC000193823640 528778742 /nfs/dbraw/zinc/77/87/42/528778742.db2.gz WGZNWKLCEWNAQJ-UHFFFAOYSA-N 0 0 298.770 2.539 50 0 CFAARN CC1(C)C(=O)[C@@]2(C(=O)NCc3ccccc3)CC[C@@H]1C2 ZINC000000109645 528868427 /nfs/dbraw/zinc/86/84/27/528868427.db2.gz NKYCVZIEUAUIAC-CXAGYDPISA-N 0 0 271.360 2.698 50 0 CFAARN CCC[C@@H](C)c1cc(NC(=O)c2cc(C)on2)n[nH]1 ZINC000096440766 528908769 /nfs/dbraw/zinc/90/87/69/528908769.db2.gz ODCUYMONGWFBQJ-MRVPVSSYSA-N 0 0 262.313 2.862 50 0 CFAARN CC(C)N(CCc1nccs1)C(=O)CC(F)(F)F ZINC000132367657 528913666 /nfs/dbraw/zinc/91/36/66/528913666.db2.gz ONLWEAUGDMZYIE-UHFFFAOYSA-N 0 0 280.315 2.875 50 0 CFAARN CCOC[C@@H]1CCN(C(=O)Nc2nc(C3CC3)cs2)C1 ZINC000096448256 528936334 /nfs/dbraw/zinc/93/63/34/528936334.db2.gz PCAWOUHCPZNTRZ-SNVBAGLBSA-N 0 0 295.408 2.911 50 0 CFAARN CC(C)[C@H](C)N(C(=O)NCc1ccncc1)C1CC1 ZINC000096461365 528953087 /nfs/dbraw/zinc/95/30/87/528953087.db2.gz JPRGYCLZRHXCOE-LBPRGKRZSA-N 0 0 261.369 2.800 50 0 CFAARN CCCCc1nnc(NC(=O)N(C)CC(F)(F)F)s1 ZINC000186527594 529050933 /nfs/dbraw/zinc/05/09/33/529050933.db2.gz HTDVVNZUPJIOSW-UHFFFAOYSA-N 0 0 296.318 2.907 50 0 CFAARN CCCCc1noc(C[S@](=O)c2cccs2)n1 ZINC000096482604 529061448 /nfs/dbraw/zinc/06/14/48/529061448.db2.gz DRESLYXNOGSPRE-QGZVFWFLSA-N 0 0 270.379 2.782 50 0 CFAARN CCS[C@H]1CCC[C@H](NC(=O)c2c(C)nn(C)c2C)C1 ZINC000096451476 529230921 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/nfs/dbraw/zinc/92/23/85/371922385.db2.gz YHXWFQVZOHWCIA-UHFFFAOYSA-N 0 0 291.159 2.735 50 0 CFAARN O=C(NCc1ccco1)c1cc(Br)ccc1O ZINC000011639416 371923078 /nfs/dbraw/zinc/92/30/78/371923078.db2.gz CCQKDAPHRSSGCT-UHFFFAOYSA-N 0 0 296.120 2.678 50 0 CFAARN CCCCNC(=O)c1nnn(-c2ccc(C)cc2C)c1C ZINC000011690237 371925622 /nfs/dbraw/zinc/92/56/22/371925622.db2.gz FRSDVUWVLRVOAW-UHFFFAOYSA-N 0 0 286.379 2.722 50 0 CFAARN C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)Nc1ccccc1 ZINC000011776918 371930018 /nfs/dbraw/zinc/93/00/18/371930018.db2.gz QXKAMARURSOLDV-JSGCOSHPSA-N 0 0 289.379 2.503 50 0 CFAARN Cc1ccccc1OS(=O)(=O)c1cccs1 ZINC000011851875 371931472 /nfs/dbraw/zinc/93/14/72/371931472.db2.gz ZFIKERHXTSOZJE-UHFFFAOYSA-N 0 0 254.332 2.824 50 0 CFAARN O=C(c1cccs1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000011840870 371931977 /nfs/dbraw/zinc/93/19/77/371931977.db2.gz BWPZFTWXGSFLSR-AWEZNQCLSA-N 0 0 287.384 2.832 50 0 CFAARN CC(C)CNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000012382266 371957192 /nfs/dbraw/zinc/95/71/92/371957192.db2.gz QMNUTSJIDCUZOX-JTQLQIEISA-N 0 0 255.745 2.880 50 0 CFAARN CC(C)COc1ccc(C(=O)Nc2ccon2)cc1 ZINC000012382371 371957397 /nfs/dbraw/zinc/95/73/97/371957397.db2.gz RAMIPGSPFVPWHC-UHFFFAOYSA-N 0 0 260.293 2.962 50 0 CFAARN CCOC(=O)Cn1nc(C)c2c1nc(C)cc2C(F)F ZINC000012395982 371958785 /nfs/dbraw/zinc/95/87/85/371958785.db2.gz YFZMPWUSLSXCSJ-UHFFFAOYSA-N 0 0 283.278 2.549 50 0 CFAARN COc1ccc(-n2nc3c(c2C)c(C)nnc3C)cc1OC ZINC000012390735 371959267 /nfs/dbraw/zinc/95/92/67/371959267.db2.gz SYMDEHLZBAXRBY-UHFFFAOYSA-N 0 0 298.346 2.758 50 0 CFAARN CC[C@H](C)NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000012404128 371961031 /nfs/dbraw/zinc/96/10/31/371961031.db2.gz KLOLICDGPNNRJS-JTQLQIEISA-N 0 0 260.337 2.563 50 0 CFAARN COC(=O)[C@@H](C)NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000012924848 372001277 /nfs/dbraw/zinc/00/12/77/372001277.db2.gz YTLWMCCFRKXJSH-CYBMUJFWSA-N 0 0 297.354 2.574 50 0 CFAARN Cc1cc(C)c2c(NC(=O)CC(C)(C)C)nn(C)c2n1 ZINC000012446561 371964412 /nfs/dbraw/zinc/96/44/12/371964412.db2.gz RPLSJMFHNMORAI-UHFFFAOYSA-N 0 0 274.368 2.960 50 0 CFAARN Cc1ccc(C(=O)/N=c2\nc3cc(C)ccn3s2)cc1 ZINC000012447539 371964670 /nfs/dbraw/zinc/96/46/70/371964670.db2.gz ARIFAJDCACZLDY-BMRADRMJSA-N 0 0 283.356 2.754 50 0 CFAARN CN(Cc1ccccc1Cl)c1ncnc2c1cnn2C ZINC000012485584 371966815 /nfs/dbraw/zinc/96/68/15/371966815.db2.gz FDBHAPYNTHQRSK-UHFFFAOYSA-N 0 0 287.754 2.653 50 0 CFAARN C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccccn1 ZINC000012528090 371968043 /nfs/dbraw/zinc/96/80/43/371968043.db2.gz SEHOEXRSHCUFCB-LLVKDONJSA-N 0 0 294.310 2.679 50 0 CFAARN Cc1cc(NC(=O)N(Cc2ccccn2)C2CC2)no1 ZINC000012527810 371968088 /nfs/dbraw/zinc/96/80/88/371968088.db2.gz FKPRAMFPFHRLLU-UHFFFAOYSA-N 0 0 272.308 2.575 50 0 CFAARN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)c1ccccn1 ZINC000012528485 371968101 /nfs/dbraw/zinc/96/81/01/371968101.db2.gz VDRHCGKUKNFDAO-ZDUSSCGKSA-N 0 0 292.342 2.758 50 0 CFAARN C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000012527981 371968140 /nfs/dbraw/zinc/96/81/40/371968140.db2.gz ACQLOGBQWFHPSR-LBPRGKRZSA-N 0 0 269.348 2.639 50 0 CFAARN O=C(CSc1ccncc1)NC1CCCCC1 ZINC000012527814 371968446 /nfs/dbraw/zinc/96/84/46/371968446.db2.gz RKBRPARTNXPEPL-UHFFFAOYSA-N 0 0 250.367 2.623 50 0 CFAARN COC(=O)[C@@H](C)Sc1n[nH]c(C=Cc2cccs2)n1 ZINC000012937177 372001651 /nfs/dbraw/zinc/00/16/51/372001651.db2.gz MOBIBFAAKKPHPX-HQZHTGGTSA-N 0 0 295.389 2.690 50 0 CFAARN CN(Cc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1 ZINC000012536804 371969496 /nfs/dbraw/zinc/96/94/96/371969496.db2.gz VDNFARVJUSTJDI-UHFFFAOYSA-N 0 0 299.761 2.984 50 0 CFAARN Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](C)C1 ZINC000012535475 371970147 /nfs/dbraw/zinc/97/01/47/371970147.db2.gz ZHKSCXZOEVWITE-LBPRGKRZSA-N 0 0 271.364 2.603 50 0 CFAARN Cn1ccnc1[C@@H](NC(=O)C1CCC1)c1cccc(F)c1 ZINC000012535266 371970579 /nfs/dbraw/zinc/97/05/79/371970579.db2.gz XLEOAKQXTDPOTK-AWEZNQCLSA-N 0 0 287.338 2.565 50 0 CFAARN CC(C)(C)C(=O)COC(=O)c1c[nH]nc1-c1ccccc1 ZINC000012535765 371970882 /nfs/dbraw/zinc/97/08/82/371970882.db2.gz IHSXPYPJQYOQDJ-UHFFFAOYSA-N 0 0 286.331 2.849 50 0 CFAARN O=C(Nc1ccccn1)c1cnn(Cc2ccccc2)c1 ZINC000012536915 371971600 /nfs/dbraw/zinc/97/16/00/371971600.db2.gz ZYMBTPBZKZAMEZ-UHFFFAOYSA-N 0 0 278.315 2.579 50 0 CFAARN O=C(NCCc1cccc(F)c1)c1ccc2[nH]cnc2c1 ZINC000012541062 371971685 /nfs/dbraw/zinc/97/16/85/371971685.db2.gz CEOALUVCXFZDMO-UHFFFAOYSA-N 0 0 283.306 2.675 50 0 CFAARN C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1ccccn1 ZINC000012538399 371972072 /nfs/dbraw/zinc/97/20/72/371972072.db2.gz MVJJVFJGCHYFRU-JSGCOSHPSA-N 0 0 282.343 2.510 50 0 CFAARN CN(CCNC(=O)Cc1ccc(F)cc1)c1ccccc1 ZINC000012537700 371972857 /nfs/dbraw/zinc/97/28/57/371972857.db2.gz VDMYYXZWPCXNSR-UHFFFAOYSA-N 0 0 286.350 2.621 50 0 CFAARN C[C@@H](NC(=O)c1cncn1-c1ccc(F)cc1)C1CC1 ZINC000012548050 371973644 /nfs/dbraw/zinc/97/36/44/371973644.db2.gz BCOZFYDWWJONED-SNVBAGLBSA-N 0 0 273.311 2.540 50 0 CFAARN c1nnc(SCc2cn3ccccc3n2)n1C1CC1 ZINC000012548012 371974572 /nfs/dbraw/zinc/97/45/72/371974572.db2.gz BIFKVGSJVBUIIZ-UHFFFAOYSA-N 0 0 271.349 2.553 50 0 CFAARN C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000012582365 371975825 /nfs/dbraw/zinc/97/58/25/371975825.db2.gz ZYSJUIMHAIUECM-MRVPVSSYSA-N 0 0 281.739 2.640 50 0 CFAARN C[C@H]1CCCC[C@@H]1NC(=S)NCc1ccncc1 ZINC000012609302 371978027 /nfs/dbraw/zinc/97/80/27/371978027.db2.gz JHTFSDZNCAXFEO-AAEUAGOBSA-N 0 0 263.410 2.624 50 0 CFAARN C[C@@H]1CN(c2ncnc3sc4c(c32)CCC4)C[C@H](C)O1 ZINC000012624956 371979409 /nfs/dbraw/zinc/97/94/09/371979409.db2.gz KNRNNXMCNRJMLO-AOOOYVTPSA-N 0 0 289.404 2.794 50 0 CFAARN CCc1ccc2oc(=O)cc(Cn3ccnc3)c2c1 ZINC000012663493 371979535 /nfs/dbraw/zinc/97/95/35/371979535.db2.gz GERVDHZPPKWVMK-UHFFFAOYSA-N 0 0 254.289 2.600 50 0 CFAARN CCCCNC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000012660559 371979606 /nfs/dbraw/zinc/97/96/06/371979606.db2.gz WJTXLFOHJNNSQW-UHFFFAOYSA-N 0 0 277.393 2.880 50 0 CFAARN C/C=C\C(=O)NCc1cc(-c2ccc(F)cc2)on1 ZINC000012636622 371979628 /nfs/dbraw/zinc/97/96/28/371979628.db2.gz PDHZCORPSULVPB-IHWYPQMZSA-N 0 0 260.268 2.673 50 0 CFAARN COc1ccccc1CNC(=O)NCc1ccccc1 ZINC000012648040 371979702 /nfs/dbraw/zinc/97/97/02/371979702.db2.gz RVOJCWVVTJVCLN-UHFFFAOYSA-N 0 0 270.332 2.695 50 0 CFAARN O=C(C1CC1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000012712235 371981072 /nfs/dbraw/zinc/98/10/72/371981072.db2.gz ZJGHZNMBOPSOKE-GFCCVEGCSA-N 0 0 280.318 2.778 50 0 CFAARN O=c1oc(-c2ccco2)nn1Cc1ccc(F)cc1Cl ZINC000012695533 371981081 /nfs/dbraw/zinc/98/10/81/371981081.db2.gz IFHLNPAEXFZRAG-UHFFFAOYSA-N 0 0 294.669 2.937 50 0 CFAARN Cc1ccccc1-c1cnnc(NCCCn2cccn2)n1 ZINC000012704012 371981215 /nfs/dbraw/zinc/98/12/15/371981215.db2.gz OAKSQPNGBKGNKC-UHFFFAOYSA-N 0 0 294.362 2.546 50 0 CFAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000012684015 371981275 /nfs/dbraw/zinc/98/12/75/371981275.db2.gz QBBQTRRWXATKIU-IJLUTSLNSA-N 0 0 296.798 2.776 50 0 CFAARN O=C(C1CC1)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1 ZINC000012712239 371981575 /nfs/dbraw/zinc/98/15/75/371981575.db2.gz ZJGHZNMBOPSOKE-LBPRGKRZSA-N 0 0 280.318 2.778 50 0 CFAARN Cc1noc(C)c1CC(=O)Nc1cc(F)ccc1F ZINC000012696974 371981678 /nfs/dbraw/zinc/98/16/78/371981678.db2.gz GJNQZIWINFNBSA-UHFFFAOYSA-N 0 0 266.247 2.751 50 0 CFAARN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1OC(F)F ZINC000012728183 371982529 /nfs/dbraw/zinc/98/25/29/371982529.db2.gz FZWVBNSEOJHGJE-IONNQARKSA-N 0 0 271.263 2.891 50 0 CFAARN Cc1ccccc1[C@H](C)NC(=O)CNC(=O)c1ccccc1 ZINC000012737156 371982744 /nfs/dbraw/zinc/98/27/44/371982744.db2.gz KHGMEWYFKQPSLK-AWEZNQCLSA-N 0 0 296.370 2.602 50 0 CFAARN CC(C)(C)C(=O)NCCC(=O)Nc1ccc2c(c1)CCC2 ZINC000012746701 371984162 /nfs/dbraw/zinc/98/41/62/371984162.db2.gz BWLJKKOROYKHJG-UHFFFAOYSA-N 0 0 288.391 2.666 50 0 CFAARN CC(=O)c1ccc(C(=O)Nc2cccc(C)n2)s1 ZINC000012744642 371984370 /nfs/dbraw/zinc/98/43/70/371984370.db2.gz KGBZFTYCVUDBTC-UHFFFAOYSA-N 0 0 260.318 2.906 50 0 CFAARN CC(=O)c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000012766826 371985299 /nfs/dbraw/zinc/98/52/99/371985299.db2.gz AGHPUAWIBTVMLH-UHFFFAOYSA-N 0 0 276.313 2.657 50 0 CFAARN CC(=O)Nc1cc(NC(=O)c2ccccc2O)ccc1F ZINC000012769855 371985558 /nfs/dbraw/zinc/98/55/58/371985558.db2.gz CSHVHCYJJOSEFE-UHFFFAOYSA-N 0 0 288.278 2.742 50 0 CFAARN Cc1noc2nc(C3CC3)cc(C(=O)NC(C)C)c12 ZINC000012782724 371985836 /nfs/dbraw/zinc/98/58/36/371985836.db2.gz WXRUTRNDVGSVJR-UHFFFAOYSA-N 0 0 259.309 2.547 50 0 CFAARN Cc1ccc(C(=O)Cn2cnc3sccc3c2=O)cc1 ZINC000012772808 371985877 /nfs/dbraw/zinc/98/58/77/371985877.db2.gz ZEODOLKTQGMMMU-UHFFFAOYSA-N 0 0 284.340 2.649 50 0 CFAARN Cc1ccc(CNC(=O)c2cc(=O)[nH]c3ccccc32)cc1 ZINC000012785697 371986951 /nfs/dbraw/zinc/98/69/51/371986951.db2.gz ASOFMWDHHGJGTO-UHFFFAOYSA-N 0 0 292.338 2.767 50 0 CFAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1C[C@@H]1C ZINC000012784623 371987310 /nfs/dbraw/zinc/98/73/10/371987310.db2.gz MJLROFHDLVRKDL-GVXVVHGQSA-N 0 0 274.364 2.809 50 0 CFAARN C[C@@H](Nc1ccc2nnnn2n1)C12CC3CC(CC(C3)C1)C2 ZINC000012787778 371987326 /nfs/dbraw/zinc/98/73/26/371987326.db2.gz NAQIAYVSOUCCID-GYPVXTSCSA-N 0 0 298.394 2.536 50 0 CFAARN CCc1noc(CSc2nnc(C3CCCC3)[nH]2)n1 ZINC000012784839 371987553 /nfs/dbraw/zinc/98/75/53/371987553.db2.gz GNFQHXBJBAKNPF-UHFFFAOYSA-N 0 0 279.369 2.700 50 0 CFAARN CC(C)Cc1ccc([C@H](C)Nc2ccc3nnnn3n2)cc1 ZINC000012790905 371987598 /nfs/dbraw/zinc/98/75/98/371987598.db2.gz FCDNGSHXCBTZRE-LBPRGKRZSA-N 0 0 296.378 2.891 50 0 CFAARN Cc1ccccc1CNC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000012821592 371988783 /nfs/dbraw/zinc/98/87/83/371988783.db2.gz NRZWUBWBHBZLFB-UHFFFAOYSA-N 0 0 292.338 2.767 50 0 CFAARN Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 ZINC000012806670 371989363 /nfs/dbraw/zinc/98/93/63/371989363.db2.gz ZIYPDGXJNKOFHL-UHFFFAOYSA-N 0 0 296.370 2.683 50 0 CFAARN CNC(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000012809704 371989592 /nfs/dbraw/zinc/98/95/92/371989592.db2.gz ZUAUJJDFPAYEND-UHFFFAOYSA-N 0 0 299.355 2.728 50 0 CFAARN CCN1CSC(=S)N(CCOc2ccccc2)C1 ZINC000012858793 371990336 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382980544 /nfs/dbraw/zinc/98/05/44/382980544.db2.gz JUVYXEZUFRVDHX-UHFFFAOYSA-N 0 0 288.734 2.638 50 0 CFAARN CC(C)(COCc1ccccc1)NCc1ncccn1 ZINC000239367151 382981234 /nfs/dbraw/zinc/98/12/34/382981234.db2.gz AHTGTTZYHGXGJV-UHFFFAOYSA-N 0 0 271.364 2.562 50 0 CFAARN O=C([C@@H]1C[C@@H]1c1ccco1)N1CCO[C@H]2CCCC[C@H]21 ZINC000241262081 382983974 /nfs/dbraw/zinc/98/39/74/382983974.db2.gz LBEYVJJJLGRGFX-JLNYLFASSA-N 0 0 275.348 2.553 50 0 CFAARN COC(=O)[C@H](Sc1cccnn1)c1ccsc1 ZINC000241965548 382984983 /nfs/dbraw/zinc/98/49/83/382984983.db2.gz UTTGOAQSAZEWQY-SNVBAGLBSA-N 0 0 266.347 2.545 50 0 CFAARN C[C@H](CNC(=O)N[C@H]1CCCC[C@H]1O)Cc1cccs1 ZINC000242316988 382985585 /nfs/dbraw/zinc/98/55/85/382985585.db2.gz YWJXOKVZIXMCDS-FPMFFAJLSA-N 0 0 296.436 2.529 50 0 CFAARN CCOC(=O)C(C)(C)CC(=O)N[C@H]1CC12CCCCC2 ZINC000242304965 382985624 /nfs/dbraw/zinc/98/56/24/382985624.db2.gz YTQZFEKCUBIYJJ-LBPRGKRZSA-N 0 0 281.396 2.805 50 0 CFAARN CC[N@H+](C)C(C)(C)CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000244659750 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CCn1nc(C)nc1-c1ccc(-c2cc[nH]n2)cc1 ZINC000426580959 383406617 /nfs/dbraw/zinc/40/66/17/383406617.db2.gz ORQPCQNYORHZQS-UHFFFAOYSA-N 0 0 253.309 2.664 50 0 CFAARN O=C(NCc1ncc(Cl)cn1)[C@@H]1CC12CCCCC2 ZINC000426614968 383406983 /nfs/dbraw/zinc/40/69/83/383406983.db2.gz AKNUJUYOOZZAOJ-NSHDSACASA-N 0 0 279.771 2.717 50 0 CFAARN Cc1nc(CCCNC(=O)C[C@H]2CCCOC2)sc1C ZINC000426651963 383408608 /nfs/dbraw/zinc/40/86/08/383408608.db2.gz FKHJPPONTXMSDW-CYBMUJFWSA-N 0 0 296.436 2.625 50 0 CFAARN COc1cc(C)cc(OC)c1-c1ccc(-n2ccnc2)nn1 ZINC000426689866 383408651 /nfs/dbraw/zinc/40/86/51/383408651.db2.gz MVWREDHGQQLSIR-UHFFFAOYSA-N 0 0 296.330 2.655 50 0 CFAARN Cc1ccc(CNC(=O)NC2(CO)CCCCC2)cc1C ZINC000426651368 383409037 /nfs/dbraw/zinc/40/90/37/383409037.db2.gz QAHWSTRGEDKQLN-UHFFFAOYSA-N 0 0 290.407 2.798 50 0 CFAARN CC(C)(C)C1CCN(NC(=O)[C@H]2CC2(C)C)CC1 ZINC000252478514 383409669 /nfs/dbraw/zinc/40/96/69/383409669.db2.gz AOQUOCBVLVEBSN-GFCCVEGCSA-N 0 0 252.402 2.822 50 0 CFAARN 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/nfs/dbraw/zinc/86/02/46/371860246.db2.gz CSCKUNNMIVDGAG-UVTDQMKNSA-N 0 0 280.283 2.649 50 0 CFAARN COc1cccc(NC(=O)c2ccc3nsnc3c2)c1 ZINC000004511170 371860800 /nfs/dbraw/zinc/86/08/00/371860800.db2.gz HZHJSRGQQXQVKL-UHFFFAOYSA-N 0 0 285.328 2.952 50 0 CFAARN Cc1cccc(-c2noc(CNC(=O)c3ccco3)n2)c1 ZINC000004502231 371861175 /nfs/dbraw/zinc/86/11/75/371861175.db2.gz AAQQXEMJEJLWOK-UHFFFAOYSA-N 0 0 283.287 2.568 50 0 CFAARN O=C(CSCc1ccccc1)Nc1ccccn1 ZINC000004536407 371862425 /nfs/dbraw/zinc/86/24/25/371862425.db2.gz SNQBNYOIRYOLGP-UHFFFAOYSA-N 0 0 258.346 2.954 50 0 CFAARN C[C@H](CC(=O)Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000004590194 371866077 /nfs/dbraw/zinc/86/60/77/371866077.db2.gz GVCWBIIBENEPFL-GFCCVEGCSA-N 0 0 282.343 2.918 50 0 CFAARN CC(=O)Nc1ccc(NC(=S)Nc2cccnc2)cc1 ZINC000004623769 371867685 /nfs/dbraw/zinc/86/76/85/371867685.db2.gz CMAVIICFEHITFE-UHFFFAOYSA-N 0 0 286.360 2.849 50 0 CFAARN COCCCN1C(=O)S/C(=C/c2ccsc2)C1=O ZINC000004648661 371869949 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/nfs/dbraw/zinc/88/00/81/371880081.db2.gz LWIXFOWVMPZFTD-UHFFFAOYSA-N 0 0 274.364 2.970 50 0 CFAARN O=C(Nc1cccc(N2CCCCC2=O)c1)C1CC1 ZINC000005441610 371883091 /nfs/dbraw/zinc/88/30/91/371883091.db2.gz AYUMDRBTMPZPBE-UHFFFAOYSA-N 0 0 258.321 2.552 50 0 CFAARN CCC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000004168689 371838801 /nfs/dbraw/zinc/83/88/01/371838801.db2.gz MQPLZWIZKAJBOE-UHFFFAOYSA-N 0 0 264.344 2.560 50 0 CFAARN COC(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1 ZINC000004201658 371840366 /nfs/dbraw/zinc/84/03/66/371840366.db2.gz KNFMJGJNTPMEGC-UHFFFAOYSA-N 0 0 299.326 2.799 50 0 CFAARN COc1ccccc1OCCNC(=O)c1ccccc1C ZINC000004197150 371840731 /nfs/dbraw/zinc/84/07/31/371840731.db2.gz DUSZDGQHOMBQHX-UHFFFAOYSA-N 0 0 285.343 2.812 50 0 CFAARN CC(=O)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004218818 371842548 /nfs/dbraw/zinc/84/25/48/371842548.db2.gz SSDNYLPSAKMNOC-UHFFFAOYSA-N 0 0 261.199 2.503 50 0 CFAARN O=c1[nH]c(NCc2ccc(Cl)cc2)nc2c1CCCC2 ZINC000011903452 371935821 /nfs/dbraw/zinc/93/58/21/371935821.db2.gz LFMAOTYSIAAJPE-UHFFFAOYSA-N 0 0 289.766 2.914 50 0 CFAARN C[C@H]1CCCCN1C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000005954712 371887246 /nfs/dbraw/zinc/88/72/46/371887246.db2.gz XJKPZBQMOYTSPX-KNXALSJPSA-N 0 0 279.380 2.509 50 0 CFAARN O=c1sc2ccccc2n1CNC1CCCCC1 ZINC000005740023 371887312 /nfs/dbraw/zinc/88/73/12/371887312.db2.gz WXKDCBXVCWOPBS-UHFFFAOYSA-N 0 0 262.378 2.943 50 0 CFAARN CCc1c(C)sc(NC(=O)c2ccccc2)c1C(N)=O ZINC000006225044 371889113 /nfs/dbraw/zinc/88/91/13/371889113.db2.gz QJEPWZZXHQUWGZ-UHFFFAOYSA-N 0 0 288.372 2.970 50 0 CFAARN COc1ccc(Nc2[nH]c(=S)nnc2C)cc1OC ZINC000012112731 371942442 /nfs/dbraw/zinc/94/24/42/371942442.db2.gz YHYLXNVMCZBEEO-UHFFFAOYSA-N 0 0 278.337 2.603 50 0 CFAARN Cc1nonc1NC(=O)c1oc2ccc(C)cc2c1C ZINC000006811519 371893718 /nfs/dbraw/zinc/89/37/18/371893718.db2.gz XPEIPHRVOHFORT-UHFFFAOYSA-N 0 0 271.276 2.993 50 0 CFAARN C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000007444962 371895407 /nfs/dbraw/zinc/89/54/07/371895407.db2.gz VQIIURZTILVKCQ-ZBFHGGJFSA-N 0 0 274.408 2.813 50 0 CFAARN O=C(Nc1ccc(F)cc1)c1cnn(-c2ccccc2)n1 ZINC000008344585 371898011 /nfs/dbraw/zinc/89/80/11/371898011.db2.gz FEQROIMSPTZUIT-UHFFFAOYSA-N 0 0 282.278 2.659 50 0 CFAARN Cc1nn2c(nnc3c2C[C@@H](C)CC3=O)c1-c1ccccc1 ZINC000009303149 371900040 /nfs/dbraw/zinc/90/00/40/371900040.db2.gz OKVLWOAHFPEKAH-SNVBAGLBSA-N 0 0 292.342 2.865 50 0 CFAARN O=C(Nc1ccccc1N1CCOCC1)[C@@H]1CC=CCC1 ZINC000009221311 371900932 /nfs/dbraw/zinc/90/09/32/371900932.db2.gz HPNKHBMIXCZXFU-CQSZACIVSA-N 0 0 286.375 2.818 50 0 CFAARN Nc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000010172468 371902157 /nfs/dbraw/zinc/90/21/57/371902157.db2.gz XHFYIUHQWFCIJT-UHFFFAOYSA-N 0 0 295.342 2.648 50 0 CFAARN O=C(COc1cccc2c1CCC2=O)Nc1ccc(F)cc1 ZINC000010197714 371902177 /nfs/dbraw/zinc/90/21/77/371902177.db2.gz LCNMQTMBUHMROV-UHFFFAOYSA-N 0 0 299.301 2.972 50 0 CFAARN CCn1c(C)nnc1SCC(=O)c1ccc(F)cc1 ZINC000009699239 371902186 /nfs/dbraw/zinc/90/21/86/371902186.db2.gz ZBOLAPLESRZMFK-UHFFFAOYSA-N 0 0 279.340 2.721 50 0 CFAARN O=C(COc1cccc2c1CCC2=O)Nc1cccc(F)c1 ZINC000010197842 371902305 /nfs/dbraw/zinc/90/23/05/371902305.db2.gz GNNVBPZUMVOYBW-UHFFFAOYSA-N 0 0 299.301 2.972 50 0 CFAARN C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccco1 ZINC000010216456 371902393 /nfs/dbraw/zinc/90/23/93/371902393.db2.gz IMSPCKBQQIJVEO-MRVPVSSYSA-N 0 0 287.287 2.597 50 0 CFAARN CC(=O)Nc1cccc(NC(=O)[C@H]2CC=CCC2)c1 ZINC000010214012 371902704 /nfs/dbraw/zinc/90/27/04/371902704.db2.gz IHWRDNGRHWRARX-LBPRGKRZSA-N 0 0 258.321 2.940 50 0 CFAARN COC(=O)c1cccc(C(=O)Nc2ccc(OC)cc2)c1 ZINC000010290906 371906633 /nfs/dbraw/zinc/90/66/33/371906633.db2.gz APOIWVCMIYZHBG-UHFFFAOYSA-N 0 0 285.299 2.734 50 0 CFAARN COC(=O)c1cccc(C(=O)N(C)C2CCCCC2)c1 ZINC000010291398 371906803 /nfs/dbraw/zinc/90/68/03/371906803.db2.gz YLWUPZABDHJXET-UHFFFAOYSA-N 0 0 275.348 2.878 50 0 CFAARN Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)nc1 ZINC000010430000 371908665 /nfs/dbraw/zinc/90/86/65/371908665.db2.gz KHUDQSSYQLVDEB-GFCCVEGCSA-N 0 0 299.305 2.594 50 0 CFAARN CCOc1ccc(CNC(=O)Cc2ccccc2)cc1 ZINC000010448457 371910383 /nfs/dbraw/zinc/91/03/83/371910383.db2.gz HRNCQTAUNVEZOA-UHFFFAOYSA-N 0 0 269.344 2.944 50 0 CFAARN Cc1nc(NC(=O)[C@@H]2COc3ccccc3O2)sc1C ZINC000010590610 371911794 /nfs/dbraw/zinc/91/17/94/371911794.db2.gz CZWZBBPMLVQMBK-LBPRGKRZSA-N 0 0 290.344 2.538 50 0 CFAARN CCn1c2ccccc2nc1NC(=O)c1ccc(OC)nc1 ZINC000010652097 371912430 /nfs/dbraw/zinc/91/24/30/371912430.db2.gz KDQULNLIJXBYMW-UHFFFAOYSA-N 0 0 296.330 2.712 50 0 CFAARN C[C@@H](Sc1nncn1C)C(=O)c1cccc(Cl)c1 ZINC000010799956 371914454 /nfs/dbraw/zinc/91/44/54/371914454.db2.gz ZSZJTNZPDAERDG-MRVPVSSYSA-N 0 0 281.768 2.832 50 0 CFAARN Cc1cccc(-n2ccnc2S[C@H](C)C(=O)N(C)C)c1 ZINC000010888601 371914666 /nfs/dbraw/zinc/91/46/66/371914666.db2.gz UHAGNDYBWMYJCB-GFCCVEGCSA-N 0 0 289.404 2.750 50 0 CFAARN CC(C)[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1cccs1 ZINC000010852290 371914804 /nfs/dbraw/zinc/91/48/04/371914804.db2.gz ZBBGYFHKJQXGIS-CYBMUJFWSA-N 0 0 276.361 2.509 50 0 CFAARN CNc1nnc(S[C@@H](C)C(=O)c2ccccc2)s1 ZINC000010982349 371915572 /nfs/dbraw/zinc/91/55/72/371915572.db2.gz LTZWMMVQTXSRLA-QMMMGPOBSA-N 0 0 279.390 2.943 50 0 CFAARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccccn1 ZINC000011201480 371918196 /nfs/dbraw/zinc/91/81/96/371918196.db2.gz OXWVQNCJDXTBJX-OAHLLOKOSA-N 0 0 252.317 2.963 50 0 CFAARN Cc1cc(NC(=O)c2cnccn2)ccc1N1CCCC1 ZINC000011324930 371919343 /nfs/dbraw/zinc/91/93/43/371919343.db2.gz ICQUOUVTSPHSLH-UHFFFAOYSA-N 0 0 282.347 2.638 50 0 CFAARN COc1cccc(NC(=O)NCc2cn3ccccc3n2)c1 ZINC000011555816 371921174 /nfs/dbraw/zinc/92/11/74/371921174.db2.gz SACBVZPRIOSUQC-UHFFFAOYSA-N 0 0 296.330 2.665 50 0 CFAARN C[C@H](NC(=O)NCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000011607350 371921763 /nfs/dbraw/zinc/92/17/63/371921763.db2.gz VHDRJLVCLYEGTB-LBPRGKRZSA-N 0 0 298.342 2.976 50 0 CFAARN Cc1cc(NC(=O)c2cc(Br)ccc2O)no1 ZINC000011639452 371923332 /nfs/dbraw/zinc/92/33/32/371923332.db2.gz USOVQZNFVVARDO-UHFFFAOYSA-N 0 0 297.108 2.703 50 0 CFAARN COCCCNC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000011641904 371923497 /nfs/dbraw/zinc/92/34/97/371923497.db2.gz HMRGMJISFOEGKX-GFCCVEGCSA-N 0 0 298.383 2.698 50 0 CFAARN O=C(C=Cc1ccccc1)N=c1[nH]c2ccccc2[nH]1 ZINC000011639505 371923507 /nfs/dbraw/zinc/92/35/07/371923507.db2.gz CGNBLYKCMQRGQO-ZHACJKMWSA-N 0 0 263.300 2.637 50 0 CFAARN Cn1nccc1C(=O)Nc1ccc2sccc2c1 ZINC000011695064 371925356 /nfs/dbraw/zinc/92/53/56/371925356.db2.gz JKHWQCWMAQNFHI-UHFFFAOYSA-N 0 0 257.318 2.887 50 0 CFAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1 ZINC000011757504 371927552 /nfs/dbraw/zinc/92/75/52/371927552.db2.gz AFQPTMJHMKDDIB-UHFFFAOYSA-N 0 0 296.779 2.747 50 0 CFAARN CC(C)CNS(=O)(=O)Cc1c(F)cccc1Cl ZINC000012382295 371957205 /nfs/dbraw/zinc/95/72/05/371957205.db2.gz KIZAEVDZMJUWMO-UHFFFAOYSA-N 0 0 279.764 2.555 50 0 CFAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000012384085 371958567 /nfs/dbraw/zinc/95/85/67/371958567.db2.gz WISFRIDYTVFVSD-IQJOONFLSA-N 0 0 292.206 2.873 50 0 CFAARN CC1(C)[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1C=C(Cl)Cl ZINC000012384087 371958928 /nfs/dbraw/zinc/95/89/28/371958928.db2.gz WISFRIDYTVFVSD-NGZCFLSTSA-N 0 0 292.206 2.873 50 0 CFAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCCCC3)c2c1 ZINC000012407914 371961249 /nfs/dbraw/zinc/96/12/49/371961249.db2.gz KYGFQNHRDXRAGT-OAHLLOKOSA-N 0 0 288.347 2.788 50 0 CFAARN CSCCC(=O)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000012431994 371963466 /nfs/dbraw/zinc/96/34/66/371963466.db2.gz LESPAVLSRLMVGV-CQSZACIVSA-N 0 0 296.411 2.982 50 0 CFAARN COc1ccc(CCC(=O)Nc2cc(C)on2)cc1OC ZINC000012446690 371964574 /nfs/dbraw/zinc/96/45/74/371964574.db2.gz PDPCWCMINYWCAN-UHFFFAOYSA-N 0 0 290.319 2.572 50 0 CFAARN Cn1ncc2c1ncnc2N[C@H](c1ccccc1)C1CC1 ZINC000012486858 371966843 /nfs/dbraw/zinc/96/68/43/371966843.db2.gz NQMFZDNSVKAWGX-CQSZACIVSA-N 0 0 279.347 2.927 50 0 CFAARN Cc1ccnc(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000012528619 371968228 /nfs/dbraw/zinc/96/82/28/371968228.db2.gz RHYPBFGTWHGIPZ-UHFFFAOYSA-N 0 0 252.277 2.519 50 0 CFAARN CC(=O)Nc1cc(NC(=O)/C=C/c2cccnc2)ccc1F ZINC000012527412 371968825 /nfs/dbraw/zinc/96/88/25/371968825.db2.gz FJYZJZCYRQDKOT-QPJJXVBHSA-N 0 0 299.305 2.831 50 0 CFAARN O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1 ZINC000012524800 371968836 /nfs/dbraw/zinc/96/88/36/371968836.db2.gz ZRJSWSUZWNDBFB-UHFFFAOYSA-N 0 0 293.326 2.890 50 0 CFAARN Cn1ccnc1[C@@H](NC(=O)C1CCC1)c1ccc(F)cc1 ZINC000012535363 371969523 /nfs/dbraw/zinc/96/95/23/371969523.db2.gz ZLVTWNJOKHDBGA-AWEZNQCLSA-N 0 0 287.338 2.565 50 0 CFAARN CC(=O)c1cccc(NC(=O)Cc2cn3ccccc3n2)c1 ZINC000012535857 371969820 /nfs/dbraw/zinc/96/98/20/371969820.db2.gz JLRVWAWDINTKFS-UHFFFAOYSA-N 0 0 293.326 2.718 50 0 CFAARN COc1cc(C(=O)N[C@H](C)c2ccccn2)ccc1C ZINC000012536483 371969863 /nfs/dbraw/zinc/96/98/63/371969863.db2.gz WTABWAICTVFQEK-GFCCVEGCSA-N 0 0 270.332 2.890 50 0 CFAARN O=C(Cc1cn2ccccc2n1)N[C@H]1CCc2ccccc21 ZINC000012535200 371970315 /nfs/dbraw/zinc/97/03/15/371970315.db2.gz BCJIEOVXEUWARO-INIZCTEOSA-N 0 0 291.354 2.681 50 0 CFAARN C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1cccnc1 ZINC000012538243 371971533 /nfs/dbraw/zinc/97/15/33/371971533.db2.gz HDMFUWDOZWJHID-LBPRGKRZSA-N 0 0 280.327 2.735 50 0 CFAARN O=C(C[C@H]1C=CCC1)N1CCN(c2ccccc2F)CC1 ZINC000012537420 371972430 /nfs/dbraw/zinc/97/24/30/371972430.db2.gz XFDUPZILZZLOON-AWEZNQCLSA-N 0 0 288.366 2.831 50 0 CFAARN Cc1cc(N)nc(SCc2nnc(-c3ccccc3)o2)n1 ZINC000012550314 371973745 /nfs/dbraw/zinc/97/37/45/371973745.db2.gz GHRUTNFQMGKNKV-UHFFFAOYSA-N 0 0 299.359 2.710 50 0 CFAARN Cc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1 ZINC000012545301 371974282 /nfs/dbraw/zinc/97/42/82/371974282.db2.gz AERZHWXZUUCLGL-UHFFFAOYSA-N 0 0 284.315 2.697 50 0 CFAARN Cn1cc(C(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 ZINC000012552372 371974743 /nfs/dbraw/zinc/97/47/43/371974743.db2.gz HGIJQZVHBXSICC-UHFFFAOYSA-N 0 0 293.326 2.530 50 0 CFAARN O=C1NCCCC[C@@H]1Sc1nc2cc(F)c(F)cc2[nH]1 ZINC000012559885 371976126 /nfs/dbraw/zinc/97/61/26/371976126.db2.gz GWGNCHNAXHLZOM-NSHDSACASA-N 0 0 297.330 2.602 50 0 CFAARN O=C(NCc1ccccc1)NCc1ccc(F)cc1 ZINC000012615707 371978472 /nfs/dbraw/zinc/97/84/72/371978472.db2.gz CWGAGMVRISARMW-UHFFFAOYSA-N 0 0 258.296 2.825 50 0 CFAARN CCOC(=O)c1ccc(-c2nc(-c3cccnc3)no2)cc1 ZINC000012655107 371979246 /nfs/dbraw/zinc/97/92/46/371979246.db2.gz PXSZHLVEOBKDFB-UHFFFAOYSA-N 0 0 295.298 2.975 50 0 CFAARN O=C(C[C@@H]1C=CCC1)NCc1ccc(Cn2cccn2)cc1 ZINC000012626346 371979668 /nfs/dbraw/zinc/97/96/68/371979668.db2.gz IPUWOAKGWDANIC-OAHLLOKOSA-N 0 0 295.386 2.904 50 0 CFAARN Cc1csc(NC(=O)C[C@H]2OC(=O)c3ccccc32)n1 ZINC000012679263 371981160 /nfs/dbraw/zinc/98/11/60/371981160.db2.gz CZOQLXAXMNYVSP-LLVKDONJSA-N 0 0 288.328 2.692 50 0 CFAARN CCCCNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000012679888 371981692 /nfs/dbraw/zinc/98/16/92/371981692.db2.gz WTWFCSXNYQVPKG-UHFFFAOYSA-N 0 0 280.368 2.727 50 0 CFAARN COc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1OC(F)F ZINC000012728185 371982846 /nfs/dbraw/zinc/98/28/46/371982846.db2.gz FZWVBNSEOJHGJE-CBAPKCEASA-N 0 0 271.263 2.891 50 0 CFAARN O=C(CCNC(=O)c1ccsc1)Nc1cccc(F)c1 ZINC000012779111 371985512 /nfs/dbraw/zinc/98/55/12/371985512.db2.gz KCVLEOUBZLCDSG-UHFFFAOYSA-N 0 0 292.335 2.646 50 0 CFAARN CC(C)CNC(=O)NC(=O)[C@@H](C)SCc1ccccc1 ZINC000012768756 371985890 /nfs/dbraw/zinc/98/58/90/371985890.db2.gz HRWUIRRHYIWPDG-GFCCVEGCSA-N 0 0 294.420 2.790 50 0 CFAARN CCS(=O)(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000012784785 371986646 /nfs/dbraw/zinc/98/66/46/371986646.db2.gz SWOZYBJPROIAQD-GFCCVEGCSA-N 0 0 293.388 2.775 50 0 CFAARN O=C(NCCc1ccccc1)NCc1ccc(F)cc1 ZINC000012785148 371987396 /nfs/dbraw/zinc/98/73/96/371987396.db2.gz LQUXOTOJHLXCGF-UHFFFAOYSA-N 0 0 272.323 2.868 50 0 CFAARN Cc1ccc(C)c(C(=O)CSc2nnnn2C2CC2)c1 ZINC000012795873 371987658 /nfs/dbraw/zinc/98/76/58/371987658.db2.gz KMMMNEAGOZJCRO-UHFFFAOYSA-N 0 0 288.376 2.600 50 0 CFAARN Cc1cc(=O)n2nc(N[C@@H](C)c3ccccc3)sc2n1 ZINC000012821094 371989522 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0 0 290.344 2.677 50 0 CFAARN Cn1cc([C@@H]2CCCN2Cc2nc3ccccc3o2)cn1 ZINC000071797315 176264793 /nfs/dbraw/zinc/26/47/93/176264793.db2.gz SJUJTWYQLHBOAE-AWEZNQCLSA-N 0 0 282.347 2.898 50 0 CFAARN Cn1cc([C@@H]2CCCN2c2nccc(C(F)(F)F)n2)cn1 ZINC000071797076 176265279 /nfs/dbraw/zinc/26/52/79/176265279.db2.gz TYSLCWCOIOJITO-JTQLQIEISA-N 0 0 297.284 2.570 50 0 CFAARN CC(C)Oc1ccc(N[C@@H](C(N)=O)c2ccccc2)cn1 ZINC000071818574 176270184 /nfs/dbraw/zinc/27/01/84/176270184.db2.gz JFXUEKXKNXAFRC-OAHLLOKOSA-N 0 0 285.347 2.507 50 0 CFAARN COc1ccc2c(c1)CN(Cc1nnsc1Cl)CC2 ZINC000071824973 176272006 /nfs/dbraw/zinc/27/20/06/176272006.db2.gz OCQXCLPDAVRNHM-UHFFFAOYSA-N 0 0 295.795 2.758 50 0 CFAARN C[C@H]1Cc2ccccc2N1Cc1nnc(C2CC2)o1 ZINC000071825434 176272076 /nfs/dbraw/zinc/27/20/76/176272076.db2.gz AKYREGKDPGPSAI-JTQLQIEISA-N 0 0 255.321 2.898 50 0 CFAARN CCCO[C@@H]1CCCN(C(=O)c2c(C)nsc2NC)C1 ZINC000071836809 176273857 /nfs/dbraw/zinc/27/38/57/176273857.db2.gz MXKFKAGSQPQXJC-LLVKDONJSA-N 0 0 297.424 2.524 50 0 CFAARN Cc1cc(C[S@@](=O)Cc2ccccc2F)no1 ZINC000071846916 176276236 /nfs/dbraw/zinc/27/62/36/176276236.db2.gz IEAQVTXQWHLBIM-QGZVFWFLSA-N 0 0 253.298 2.571 50 0 CFAARN COC[C@@H](C)c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 ZINC000071850997 176276497 /nfs/dbraw/zinc/27/64/97/176276497.db2.gz NIYOPXMNXKASDJ-MRVPVSSYSA-N 0 0 289.360 2.730 50 0 CFAARN CCc1cc(NC(=O)Cc2csc(C(C)(C)C)n2)n[nH]1 ZINC000071855409 176277937 /nfs/dbraw/zinc/27/79/37/176277937.db2.gz MJQDQLDYPCTKDQ-UHFFFAOYSA-N 0 0 292.408 2.907 50 0 CFAARN C[C@H](C(=O)NC1CCCC1)[S@](=O)Cc1ccc(F)cc1 ZINC000071859211 176279513 /nfs/dbraw/zinc/27/95/13/176279513.db2.gz YWCLLUVLFCASKH-GIPWTMENSA-N 0 0 297.395 2.522 50 0 CFAARN CN1CCN(C(=O)CCc2ccco2)[C@@H](c2ccccc2)C1 ZINC000071858591 176279562 /nfs/dbraw/zinc/27/95/62/176279562.db2.gz HVNMLNLPKDKSFF-QGZVFWFLSA-N 0 0 298.386 2.728 50 0 CFAARN O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1Cn1cccn1 ZINC000071865050 176281444 /nfs/dbraw/zinc/28/14/44/176281444.db2.gz UXNOZTFMKWLHMQ-HUUCEWRRSA-N 0 0 273.380 2.621 50 0 CFAARN CSCC(=O)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000071870842 176283618 /nfs/dbraw/zinc/28/36/18/176283618.db2.gz LVSFMIBRHLSORY-LBPRGKRZSA-N 0 0 281.425 2.533 50 0 CFAARN CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000071870702 176283794 /nfs/dbraw/zinc/28/37/94/176283794.db2.gz LMRAAHMLZFXBKZ-GJZGRUSLSA-N 0 0 287.407 2.965 50 0 CFAARN Cc1cnn(C2CN([C@H](C)c3ccccc3F)C2)c1 ZINC000071876813 176286302 /nfs/dbraw/zinc/28/63/02/176286302.db2.gz SGUVBUJUBHAHOB-GFCCVEGCSA-N 0 0 259.328 2.949 50 0 CFAARN Cn1cnc2c1CCN(Cc1ccc(F)c3cccnc13)C2 ZINC000071878978 176287291 /nfs/dbraw/zinc/28/72/91/176287291.db2.gz PEIYHNYFIVOVIR-UHFFFAOYSA-N 0 0 296.349 2.666 50 0 CFAARN CCc1nc(CNC(=O)COc2ccc(C)cc2)cs1 ZINC000071886501 176289769 /nfs/dbraw/zinc/28/97/69/176289769.db2.gz IDRUXRQGRCVYDS-UHFFFAOYSA-N 0 0 290.388 2.709 50 0 CFAARN Cc1noc([C@H](C)[S@@](=O)Cc2cccc(C)c2)n1 ZINC000071888548 176290230 /nfs/dbraw/zinc/29/02/30/176290230.db2.gz DISGXTNFKKNKAN-XTZNXHDOSA-N 0 0 264.350 2.696 50 0 CFAARN Cc1noc([C@H](C)[S@@](=O)Cc2ccccc2C)n1 ZINC000071887978 176290256 /nfs/dbraw/zinc/29/02/56/176290256.db2.gz GCZADALPVCUMAA-XTZNXHDOSA-N 0 0 264.350 2.696 50 0 CFAARN O=C(NCCCc1c[nH]c2ccccc12)NC1CCC1 ZINC000071886664 176290538 /nfs/dbraw/zinc/29/05/38/176290538.db2.gz GJKXMIMHWODNDK-UHFFFAOYSA-N 0 0 271.364 2.952 50 0 CFAARN Cc1noc([C@@H](C)[S@](=O)Cc2cccc(C)c2)n1 ZINC000071888549 176290557 /nfs/dbraw/zinc/29/05/57/176290557.db2.gz DISGXTNFKKNKAN-MGNBDDOMSA-N 0 0 264.350 2.696 50 0 CFAARN CC1(CNC(=O)NCc2nccs2)CCCC1 ZINC000071889163 176290717 /nfs/dbraw/zinc/29/07/17/176290717.db2.gz CMDLAVUQUAKKPE-UHFFFAOYSA-N 0 0 253.371 2.523 50 0 CFAARN CC1(CNC(=O)c2ccc3c(c2)OCO3)CCCC1 ZINC000071888902 176290802 /nfs/dbraw/zinc/29/08/02/176290802.db2.gz PQZUTALARLYSLO-UHFFFAOYSA-N 0 0 261.321 2.725 50 0 CFAARN Cc1noc([C@H](C)[S@@](=O)Cc2cccc(F)c2)n1 ZINC000071888580 176290943 /nfs/dbraw/zinc/29/09/43/176290943.db2.gz XNQGWWHZYAWFEK-DCXZOGHSSA-N 0 0 268.313 2.527 50 0 CFAARN CC(C)c1cc(C(=O)N[C@H]2CCc3c2cccc3O)[nH]n1 ZINC000071898024 176293231 /nfs/dbraw/zinc/29/32/31/176293231.db2.gz JNZIEMJEEKMNKS-LBPRGKRZSA-N 0 0 285.347 2.656 50 0 CFAARN COCCC(=O)N(Cc1ccccn1)Cc1ccccc1C ZINC000071900196 176293522 /nfs/dbraw/zinc/29/35/22/176293522.db2.gz HXRXCKZNYJEKLC-UHFFFAOYSA-N 0 0 298.386 2.955 50 0 CFAARN CCc1cc(CNC(=O)CCc2c[nH]c3ccccc23)[nH]n1 ZINC000071900357 176293545 /nfs/dbraw/zinc/29/35/45/176293545.db2.gz OLYHNSHVWLEFGL-UHFFFAOYSA-N 0 0 296.374 2.702 50 0 CFAARN CCCCN(Cc1ccc(C(N)=O)cc1)CC(F)(F)F ZINC000071900521 176294136 /nfs/dbraw/zinc/29/41/36/176294136.db2.gz IFDAAOAQYZTXGY-UHFFFAOYSA-N 0 0 288.313 2.950 50 0 CFAARN C[C@H]1C[C@H](NCC2(c3ccccc3)CCCC2)C(=O)O1 ZINC000071902404 176294507 /nfs/dbraw/zinc/29/45/07/176294507.db2.gz FIQBMHCRRPBLQQ-ZFWWWQNUSA-N 0 0 273.376 2.792 50 0 CFAARN C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCc2ccccn2)C1 ZINC000071903033 176294645 /nfs/dbraw/zinc/29/46/45/176294645.db2.gz NDPUSZBLKBKGSY-GDBMZVCRSA-N 0 0 290.407 2.678 50 0 CFAARN O=C(NCC[C@@H]1CCCO1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000071903769 176295027 /nfs/dbraw/zinc/29/50/27/176295027.db2.gz OHGSFWPBWYXTJV-YUTCNCBUSA-N 0 0 295.329 2.754 50 0 CFAARN CC(C)C[C@@H](CO)NC(=O)Nc1cc(F)c(F)cc1F ZINC000071910307 176297373 /nfs/dbraw/zinc/29/73/73/176297373.db2.gz YQCVIJYRWUMZGJ-QMMMGPOBSA-N 0 0 290.285 2.632 50 0 CFAARN Cc1ccc(S[C@H]2CCN(CC(F)(F)F)C2=O)nc1 ZINC000071910966 176297726 /nfs/dbraw/zinc/29/77/26/176297726.db2.gz MKIHTFMJQGKDND-VIFPVBQESA-N 0 0 290.310 2.645 50 0 CFAARN CCCCS[C@@H](C)C(=O)N(C)c1ccccn1 ZINC000071914728 176298771 /nfs/dbraw/zinc/29/87/71/176298771.db2.gz MELCYMNGOZESAO-NSHDSACASA-N 0 0 252.383 2.966 50 0 CFAARN CCCCSCCC(=O)N1CCC(n2ccnc2)CC1 ZINC000071916131 176299427 /nfs/dbraw/zinc/29/94/27/176299427.db2.gz KHOAOCRQZALYLH-UHFFFAOYSA-N 0 0 295.452 2.970 50 0 CFAARN C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc2[nH]ccc21 ZINC000071921160 176300323 /nfs/dbraw/zinc/30/03/23/176300323.db2.gz DZDRAWIYPICXDZ-GHMZBOCLSA-N 0 0 275.352 2.696 50 0 CFAARN CCCNC(=O)CCCC(=O)OC1CCCCC1 ZINC000071920418 176300551 /nfs/dbraw/zinc/30/05/51/176300551.db2.gz GAHFTQMBSCYAJH-UHFFFAOYSA-N 0 0 255.358 2.559 50 0 CFAARN C[C@H](CCO)S[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000071922075 176300915 /nfs/dbraw/zinc/30/09/15/176300915.db2.gz AZFOCSSHACPNCU-NEPJUHHUSA-N 0 0 273.442 2.670 50 0 CFAARN C[C@@H](OC(=O)C1CCOCC1)c1c(F)cccc1N(C)C ZINC000071922305 176301115 /nfs/dbraw/zinc/30/11/15/176301115.db2.gz WYPPNPHYLAZRDJ-LLVKDONJSA-N 0 0 295.354 2.923 50 0 CFAARN CCN(CC)C(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000071943567 176303095 /nfs/dbraw/zinc/30/30/95/176303095.db2.gz VETIAUKGXYIMMS-UHFFFAOYSA-N 0 0 272.352 2.805 50 0 CFAARN CC(C)[C@H](C)NC(=O)NCc1ccc(Cl)nc1 ZINC000071998193 176308276 /nfs/dbraw/zinc/30/82/76/176308276.db2.gz REPXNQFDQCRQPD-VIFPVBQESA-N 0 0 255.749 2.579 50 0 CFAARN c1csc(Cn2nnnc2SC2CCCC2)c1 ZINC000072066582 176312005 /nfs/dbraw/zinc/31/20/05/176312005.db2.gz IWCARUYYXHVGNI-UHFFFAOYSA-N 0 0 266.395 2.818 50 0 CFAARN C[C@@H](c1nccn1CCN1CCCOC1=O)c1ccccc1 ZINC000072150956 176326325 /nfs/dbraw/zinc/32/63/25/176326325.db2.gz IAGSHCCJTIYPFX-CQSZACIVSA-N 0 0 299.374 2.877 50 0 CFAARN Cc1cc(C[C@@H]2COC[C@@H]2Nc2ccc3cc[nH]c3n2)on1 ZINC000072150840 176326370 /nfs/dbraw/zinc/32/63/70/176326370.db2.gz KMSHPRGBBFPNGV-OCCSQVGLSA-N 0 0 298.346 2.529 50 0 CFAARN O=C(NCc1cnn2ccccc12)c1ccccc1Cl ZINC000072163068 176330328 /nfs/dbraw/zinc/33/03/28/176330328.db2.gz RXDRGNBIKFNMSP-UHFFFAOYSA-N 0 0 285.734 2.918 50 0 CFAARN CC[C@H](CC(=O)N1CCC[C@@H](n2cncn2)C1)C(C)C ZINC000072235137 176345136 /nfs/dbraw/zinc/34/51/36/176345136.db2.gz IQQVZIJFDHDFSW-ZIAGYGMSSA-N 0 0 278.400 2.514 50 0 CFAARN CCn1nc(C)c2nc(C(C)C)nc(Nc3cnn(C)c3)c21 ZINC000072238319 176346752 /nfs/dbraw/zinc/34/67/52/176346752.db2.gz ZIERWNKDGFYCTP-UHFFFAOYSA-N 0 0 299.382 2.755 50 0 CFAARN O=C(NC1CCCC1)c1nnsc1-c1ccccc1 ZINC000072239967 176347937 /nfs/dbraw/zinc/34/79/37/176347937.db2.gz SZLVSWOFWAKUOU-UHFFFAOYSA-N 0 0 273.361 2.878 50 0 CFAARN CCn1ccc(NC(=O)c2nnsc2-c2ccccc2)n1 ZINC000072239946 176347962 /nfs/dbraw/zinc/34/79/62/176347962.db2.gz MNZGDUZMYUHMBR-UHFFFAOYSA-N 0 0 299.359 2.674 50 0 CFAARN Cc1cc(NC(=O)c2nnsc2-c2ccccc2)no1 ZINC000072239996 176348049 /nfs/dbraw/zinc/34/80/49/176348049.db2.gz LUXNCZHOXHOHCD-UHFFFAOYSA-N 0 0 286.316 2.754 50 0 CFAARN CCn1nc(C)c(CCC(=O)Nc2cc(C)ccn2)c1C ZINC000072240472 176348555 /nfs/dbraw/zinc/34/85/55/176348555.db2.gz SWTQUBZNCBLDKH-UHFFFAOYSA-N 0 0 286.379 2.795 50 0 CFAARN O=C(CCc1cccs1)NCC[C@@H](O)c1ccccc1 ZINC000072259938 176351253 /nfs/dbraw/zinc/35/12/53/176351253.db2.gz UEFJLGGTGHHSJY-OAHLLOKOSA-N 0 0 289.400 2.921 50 0 CFAARN O=C(c1ccc(-c2ccc(=O)[nH]c2)s1)N1CCCCC1 ZINC000072260069 176351822 /nfs/dbraw/zinc/35/18/22/176351822.db2.gz NKRWZEHXZOHOME-UHFFFAOYSA-N 0 0 288.372 2.730 50 0 CFAARN CC(C)OCc1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000072264795 176351860 /nfs/dbraw/zinc/35/18/60/176351860.db2.gz AQOOZGXNARNMFG-UHFFFAOYSA-N 0 0 297.420 2.833 50 0 CFAARN O=C(NCC[C@@H](O)c1ccccc1)c1c(F)cccc1F ZINC000072265258 176352024 /nfs/dbraw/zinc/35/20/24/176352024.db2.gz QZCZDBUTZAVPNG-CQSZACIVSA-N 0 0 291.297 2.818 50 0 CFAARN Cc1noc(C)c1CCC(=O)Nc1ccn(C(C)(C)C)n1 ZINC000072271256 176354615 /nfs/dbraw/zinc/35/46/15/176354615.db2.gz PWJNITZCUDCMBA-UHFFFAOYSA-N 0 0 290.367 2.814 50 0 CFAARN COc1ccc(Cc2noc(-c3cccn3C)n2)cc1OC ZINC000072274944 176356102 /nfs/dbraw/zinc/35/61/02/176356102.db2.gz IXEOUPOFACMGOB-UHFFFAOYSA-N 0 0 299.330 2.683 50 0 CFAARN c1ccc2oc(NC[C@H]3CCCN3c3cccnn3)nc2c1 ZINC000072276316 176356107 /nfs/dbraw/zinc/35/61/07/176356107.db2.gz YCZHIKUHHZFOJY-GFCCVEGCSA-N 0 0 295.346 2.699 50 0 CFAARN CC(C)c1ocnc1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072277440 176356723 /nfs/dbraw/zinc/35/67/23/176356723.db2.gz YHCNTPKIWFYKTM-LLVKDONJSA-N 0 0 288.351 2.541 50 0 CFAARN CCc1cc(C(=O)N[C@H]2CCc3nccn3C2)sc1C ZINC000072278522 176357338 /nfs/dbraw/zinc/35/73/38/176357338.db2.gz SQHJOXNKCSYFEF-LBPRGKRZSA-N 0 0 289.404 2.560 50 0 CFAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1cccc(C)c1C)C2 ZINC000072278896 176357970 /nfs/dbraw/zinc/35/79/70/176357970.db2.gz SQQJFCQOQOUCNK-AWEZNQCLSA-N 0 0 283.375 2.553 50 0 CFAARN Cc1cnccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000072281375 176359304 /nfs/dbraw/zinc/35/93/04/176359304.db2.gz NXBAKCFIFSRBAE-UHFFFAOYSA-N 0 0 288.372 2.680 50 0 CFAARN O=C(Nc1ccccn1)N[C@@H](CCO)C1CCCCC1 ZINC000072286273 176359860 /nfs/dbraw/zinc/35/98/60/176359860.db2.gz FAVWDHOHKDWCAE-ZDUSSCGKSA-N 0 0 277.368 2.534 50 0 CFAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCCC1 ZINC000072287200 176360351 /nfs/dbraw/zinc/36/03/51/176360351.db2.gz INOUCJHLVXZKLK-LLVKDONJSA-N 0 0 291.347 2.756 50 0 CFAARN CC(C)n1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000072286906 176360400 /nfs/dbraw/zinc/36/04/00/176360400.db2.gz AKIJSNYOTGDZGA-CYBMUJFWSA-N 0 0 273.384 2.567 50 0 CFAARN Cc1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)cc1C ZINC000072291564 176362238 /nfs/dbraw/zinc/36/22/38/176362238.db2.gz KOASPUXTIIWXFP-UHFFFAOYSA-N 0 0 293.330 2.531 50 0 CFAARN Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)n1 ZINC000072298713 176363755 /nfs/dbraw/zinc/36/37/55/176363755.db2.gz PUBAMYFKVSXCHC-OLZOCXBDSA-N 0 0 294.420 2.727 50 0 CFAARN CCc1nc([C@@H]2CCCN2C(=O)c2ccoc2C)no1 ZINC000072299251 176364398 /nfs/dbraw/zinc/36/43/98/176364398.db2.gz UQYVFBIERKMYON-NSHDSACASA-N 0 0 275.308 2.511 50 0 CFAARN O=C(CCCc1ccc(Cl)cc1)NC[C@@H]1CCC[C@H]1O ZINC000072301314 176364909 /nfs/dbraw/zinc/36/49/09/176364909.db2.gz YESNWQVJSDZALH-DZGCQCFKSA-N 0 0 295.810 2.940 50 0 CFAARN Cc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cn1 ZINC000072330256 176370283 /nfs/dbraw/zinc/37/02/83/176370283.db2.gz GRATXGVXSWJZFS-UHFFFAOYSA-N 0 0 298.342 2.802 50 0 CFAARN CCc1ccc(CNC(=O)COC(=O)c2ccccc2)cc1 ZINC000072333779 176370370 /nfs/dbraw/zinc/37/03/70/176370370.db2.gz KIEOXBDTYUGMNJ-UHFFFAOYSA-N 0 0 297.354 2.722 50 0 CFAARN CCCCN(C)C(=O)COC(=O)Cc1ccc(Cl)cc1 ZINC000072333750 176370455 /nfs/dbraw/zinc/37/04/55/176370455.db2.gz HYNQSNOSVDRDLQ-UHFFFAOYSA-N 0 0 297.782 2.684 50 0 CFAARN CC(=O)N1CCC[C@H]1CCc1ccc(Cl)nc1 ZINC000072344248 176372786 /nfs/dbraw/zinc/37/27/86/176372786.db2.gz RZYLWBFGFZEKGS-LBPRGKRZSA-N 0 0 252.745 2.679 50 0 CFAARN Cc1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1 ZINC000072351010 176373407 /nfs/dbraw/zinc/37/34/07/176373407.db2.gz OWOFJAMWJKYVSQ-UHFFFAOYSA-N 0 0 271.364 2.762 50 0 CFAARN CCc1nn2c(Cc3ccccc3Cl)nnc2s1 ZINC000072401580 176397182 /nfs/dbraw/zinc/39/71/82/176397182.db2.gz YDHFWCOYDPLICF-UHFFFAOYSA-N 0 0 278.768 2.992 50 0 CFAARN CC(C)CNS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000072414527 176399125 /nfs/dbraw/zinc/39/91/25/176399125.db2.gz BXCHJNRFDZXFIV-UHFFFAOYSA-N 0 0 282.192 2.928 50 0 CFAARN COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H](C)C1 ZINC000072433280 176402742 /nfs/dbraw/zinc/40/27/42/176402742.db2.gz SLFWQFAHTOLBHI-OLZOCXBDSA-N 0 0 277.364 2.721 50 0 CFAARN Cc1nn2c(nc(C)cc2NCC2(O)CCCCC2)c1C ZINC000072469475 176406415 /nfs/dbraw/zinc/40/64/15/176406415.db2.gz KCGBJJZKTNUTRO-UHFFFAOYSA-N 0 0 288.395 2.762 50 0 CFAARN CC(C)(C)OC(=O)N1C(=O)[C@H]2CCC=CCC[C@H]21 ZINC000072481887 176408084 /nfs/dbraw/zinc/40/80/84/176408084.db2.gz NHSZBVNXCBOMFH-WDEREUQCSA-N 0 0 251.326 2.879 50 0 CFAARN CCOC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000073648007 176481991 /nfs/dbraw/zinc/48/19/91/176481991.db2.gz MLHIPPWQJPNHEG-UHFFFAOYSA-N 0 0 257.311 2.802 50 0 CFAARN C[C@H](NC(=O)N1CCCC(C)(C)CC1)c1cnn(C)c1 ZINC000074476125 176568876 /nfs/dbraw/zinc/56/88/76/176568876.db2.gz RALQAQXUCALHED-LBPRGKRZSA-N 0 0 278.400 2.703 50 0 CFAARN O=C(Cc1cccs1)NC[C@@H]1COc2ccccc21 ZINC000074913538 176633914 /nfs/dbraw/zinc/63/39/14/176633914.db2.gz FAFWRSUBMANNBI-LLVKDONJSA-N 0 0 273.357 2.583 50 0 CFAARN CSCC[C@@](C)(O)CNC(=O)c1ccccc1SC ZINC000075157449 176668250 /nfs/dbraw/zinc/66/82/50/176668250.db2.gz ZYLUBLRQPQIAMT-CQSZACIVSA-N 0 0 299.461 2.642 50 0 CFAARN CC[C@@H](C(=O)NC[C@@H](O)c1ccoc1)c1ccccc1 ZINC000075171607 176671580 /nfs/dbraw/zinc/67/15/80/176671580.db2.gz WEKIMMOUYCHKJQ-HUUCEWRRSA-N 0 0 273.332 2.623 50 0 CFAARN CCOC(=O)c1cc(NC(=O)c2cccs2)c[nH]1 ZINC000075257922 176679594 /nfs/dbraw/zinc/67/95/94/176679594.db2.gz JDBHJUKSFQOFLI-UHFFFAOYSA-N 0 0 264.306 2.505 50 0 CFAARN CCOC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C ZINC000075300688 176685103 /nfs/dbraw/zinc/68/51/03/176685103.db2.gz OHMCRYLLELYLPY-UHFFFAOYSA-N 0 0 286.353 2.975 50 0 CFAARN O=C(CN1CCOC[C@H]1c1ccccc1)Nc1ccccc1 ZINC000076119434 176915995 /nfs/dbraw/zinc/91/59/95/176915995.db2.gz FTQNTPDDRVPJPO-KRWDZBQOSA-N 0 0 296.370 2.699 50 0 CFAARN Cc1cnn(CCC(=O)NCCc2cc(C)cc(C)c2)c1 ZINC000076370290 177006867 /nfs/dbraw/zinc/00/68/67/177006867.db2.gz ODGHXLKGOXFGLS-UHFFFAOYSA-N 0 0 285.391 2.557 50 0 CFAARN CCNC(=O)CCCC(=O)Oc1ccc(Cl)c(C)c1 ZINC000076810397 177103035 /nfs/dbraw/zinc/10/30/35/177103035.db2.gz IKEQAMGGRXVPGU-UHFFFAOYSA-N 0 0 283.755 2.860 50 0 CFAARN CCOc1c(F)cccc1C(=O)OC[C@H]1CCCO1 ZINC000076846585 177119270 /nfs/dbraw/zinc/11/92/70/177119270.db2.gz QMSPGUXSXJYHRV-SNVBAGLBSA-N 0 0 268.284 2.560 50 0 CFAARN O=C(NCC[C@H](O)C1CC1)c1cccc2ccccc21 ZINC000077107618 177224409 /nfs/dbraw/zinc/22/44/09/177224409.db2.gz VHIIUCCHKHXIFM-INIZCTEOSA-N 0 0 269.344 2.731 50 0 CFAARN O=C(NCC[C@@H](O)C1CC1)NCc1cccc2ccccc21 ZINC000077108791 177224963 /nfs/dbraw/zinc/22/49/63/177224963.db2.gz RTBQRCXEPDVPLH-QGZVFWFLSA-N 0 0 298.386 2.800 50 0 CFAARN O=C(NCC[C@H](O)c1cccs1)NC1CCCCC1 ZINC000077115913 177225778 /nfs/dbraw/zinc/22/57/78/177225778.db2.gz UIVHYICNVPJKPU-LBPRGKRZSA-N 0 0 282.409 2.804 50 0 CFAARN Cc1cc(C(=O)NCC[C@@H](O)c2cccs2)c(C)o1 ZINC000077113262 177225893 /nfs/dbraw/zinc/22/58/93/177225893.db2.gz SDIYLMXWZOTRAO-GFCCVEGCSA-N 0 0 279.361 2.811 50 0 CFAARN CSC[C@@H](CCO)Nc1ncccc1C(F)(F)F ZINC000077236751 177236909 /nfs/dbraw/zinc/23/69/09/177236909.db2.gz IUIBSGMAUBLMEU-MRVPVSSYSA-N 0 0 280.315 2.626 50 0 CFAARN CC(C)c1cc(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)[nH]n1 ZINC000077285860 177248842 /nfs/dbraw/zinc/24/88/42/177248842.db2.gz KCISATPXSIHZPM-SRVKXCTJSA-N 0 0 261.369 2.842 50 0 CFAARN COCCC[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000077288059 177249043 /nfs/dbraw/zinc/24/90/43/177249043.db2.gz QFNFOFMKJLNQQP-HNNXBMFYSA-N 0 0 291.391 2.600 50 0 CFAARN Cc1ncnc(N2CCC([C@H](O)CC(C)C)CC2)c1C ZINC000077287824 177249179 /nfs/dbraw/zinc/24/91/79/177249179.db2.gz GELLGKKYQLPDNK-OAHLLOKOSA-N 0 0 277.412 2.717 50 0 CFAARN Cc1cc(C(=O)N(C)Cc2cccc3cnccc32)no1 ZINC000077338682 177254075 /nfs/dbraw/zinc/25/40/75/177254075.db2.gz YKLAOUGARSUHDT-UHFFFAOYSA-N 0 0 281.315 2.803 50 0 CFAARN CCCc1cnc(C)nc1N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077380315 177260754 /nfs/dbraw/zinc/26/07/54/177260754.db2.gz RLOQTAMULTVVMJ-CQSZACIVSA-N 0 0 285.395 2.845 50 0 CFAARN CCCCS(=O)(=O)N(C)[C@H](C)c1nc(C)sc1C ZINC000077385123 177261351 /nfs/dbraw/zinc/26/13/51/177261351.db2.gz DYXPRKYLAOWMJN-SECBINFHSA-N 0 0 290.454 2.883 50 0 CFAARN CCCc1cc(C(=O)NCCOCc2ccccc2)no1 ZINC000077455167 177270565 /nfs/dbraw/zinc/27/05/65/177270565.db2.gz UDIQGVLFVOLBRA-UHFFFAOYSA-N 0 0 288.347 2.574 50 0 CFAARN CC[C@H](NC(=O)c1cnn(C(C)C)c1)c1ccncc1 ZINC000077540050 177279412 /nfs/dbraw/zinc/27/94/12/177279412.db2.gz UGDZRBPQKNBSNL-AWEZNQCLSA-N 0 0 272.352 2.740 50 0 CFAARN CCc1nc(C)sc1CN1CCOC[C@@H]1CC ZINC000077554051 177280631 /nfs/dbraw/zinc/28/06/31/177280631.db2.gz PHCNCAMAXMETDM-NSHDSACASA-N 0 0 254.399 2.625 50 0 CFAARN COCCOCC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077555767 177280811 /nfs/dbraw/zinc/28/08/11/177280811.db2.gz XPKRMQKXDMHSPN-OAHLLOKOSA-N 0 0 295.354 2.542 50 0 CFAARN COCCC[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000077565890 177281219 /nfs/dbraw/zinc/28/12/19/177281219.db2.gz GSBOERXKOCJRMO-ZDUSSCGKSA-N 0 0 281.421 2.956 50 0 CFAARN CSC[C@@H](CCO)NC(=O)Nc1c(C)cc(C)cc1C ZINC000077658657 177292197 /nfs/dbraw/zinc/29/21/97/177292197.db2.gz AHUOUYNLLGZFSD-CYBMUJFWSA-N 0 0 296.436 2.847 50 0 CFAARN CCc1nnc2ccc(N3CCC4(C3)CCCCC4)nn21 ZINC000078411106 177339537 /nfs/dbraw/zinc/33/95/37/177339537.db2.gz QWNLESYBDAOEHH-UHFFFAOYSA-N 0 0 285.395 2.847 50 0 CFAARN Cc1cccnc1CNC(=O)c1cc(F)ccc1F ZINC000078509477 177348561 /nfs/dbraw/zinc/34/85/61/177348561.db2.gz JVTXOBCEYZJSMV-UHFFFAOYSA-N 0 0 262.259 2.598 50 0 CFAARN CCN(C)c1ccccc1NC(=O)c1cc(C)no1 ZINC000078601359 177358799 /nfs/dbraw/zinc/35/87/99/177358799.db2.gz FYFBJNHMHYFVBK-UHFFFAOYSA-N 0 0 259.309 2.691 50 0 CFAARN CCc1csc(NC(=O)NC[C@H]2CCO[C@H]2C(C)C)n1 ZINC000078631925 177362264 /nfs/dbraw/zinc/36/22/64/177362264.db2.gz XBMCRFVJUKSPJA-PWSUYJOCSA-N 0 0 297.424 2.888 50 0 CFAARN CCCN(CC)c1ccc(C(=O)NCc2cc[nH]n2)cc1 ZINC000078720365 177375327 /nfs/dbraw/zinc/37/53/27/177375327.db2.gz ZXZKITIITYZTJK-UHFFFAOYSA-N 0 0 286.379 2.576 50 0 CFAARN CCCNC(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000078755211 177382070 /nfs/dbraw/zinc/38/20/70/177382070.db2.gz VPPLGLZYMZPIAJ-UHFFFAOYSA-N 0 0 270.336 2.984 50 0 CFAARN Cc1nn(C)c(C)c1Cc1nc(-c2ccsc2)no1 ZINC000078773662 177385183 /nfs/dbraw/zinc/38/51/83/177385183.db2.gz PCFYDEHCXQCQSW-UHFFFAOYSA-N 0 0 274.349 2.739 50 0 CFAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1cccnc1Cl ZINC000078790266 177388755 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/nfs/dbraw/zinc/63/00/70/373630070.db2.gz YQXXLHLEQROGGN-UHFFFAOYSA-N 0 0 298.289 2.816 50 0 CFAARN CCCCNC(=O)NCCNc1ccc2ccccc2n1 ZINC000058159967 373630172 /nfs/dbraw/zinc/63/01/72/373630172.db2.gz AOQBOHKPRJBXNX-UHFFFAOYSA-N 0 0 286.379 2.746 50 0 CFAARN CCOCCO[C@H](C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000058162315 373630236 /nfs/dbraw/zinc/63/02/36/373630236.db2.gz OUARVRWAVSYOAF-GFCCVEGCSA-N 0 0 290.363 2.856 50 0 CFAARN Cc1noc(C)c1NC(=O)COc1ccc(F)cc1F ZINC000058191495 373631773 /nfs/dbraw/zinc/63/17/73/373631773.db2.gz OFCHYPQOMUWQKF-UHFFFAOYSA-N 0 0 282.246 2.587 50 0 CFAARN CCn1c(CN(C)C(=O)NCC2CC2)nc2ccccc21 ZINC000058208783 373633273 /nfs/dbraw/zinc/63/32/73/373633273.db2.gz JXMAGTSJJPHFJZ-UHFFFAOYSA-N 0 0 286.379 2.608 50 0 CFAARN CSc1ccc([C@H](C)NC(=O)c2cc(C)nn2C)cc1 ZINC000058214888 373633758 /nfs/dbraw/zinc/63/37/58/373633758.db2.gz GKGXEYRNNMVKAO-NSHDSACASA-N 0 0 289.404 2.941 50 0 CFAARN O=C(C[C@H]1C=CCC1)NCCn1cnc2ccccc21 ZINC000058209926 373633843 /nfs/dbraw/zinc/63/38/43/373633843.db2.gz BWZIYMCNDKBDDN-ZDUSSCGKSA-N 0 0 269.348 2.509 50 0 CFAARN O=C(Cc1ccccc1O)Nc1cccc(-n2cccn2)c1 ZINC000058432575 373657948 /nfs/dbraw/zinc/65/79/48/373657948.db2.gz VLHDTXZOSOTVEI-UHFFFAOYSA-N 0 0 293.326 2.759 50 0 CFAARN CCN(c1ccc(C(=O)Nc2ccn(C)n2)cc1)C(C)C ZINC000058251442 373637470 /nfs/dbraw/zinc/63/74/70/373637470.db2.gz XUSZTIZLKMWABJ-UHFFFAOYSA-N 0 0 286.379 2.907 50 0 CFAARN O=C(Cc1cccs1)N(Cc1cccnc1)C1CC1 ZINC000058283349 373641229 /nfs/dbraw/zinc/64/12/29/373641229.db2.gz XGLXKBDUFZHIOG-UHFFFAOYSA-N 0 0 272.373 2.877 50 0 CFAARN COc1ccc(CCC(=O)NCCc2cccc(O)c2)cc1 ZINC000058295955 373643035 /nfs/dbraw/zinc/64/30/35/373643035.db2.gz MIZOYXAPZFAKFZ-UHFFFAOYSA-N 0 0 299.370 2.692 50 0 CFAARN CC(C)(C)C(=O)NCc1cccnc1N1CCCCC1 ZINC000058290436 373643435 /nfs/dbraw/zinc/64/34/35/373643435.db2.gz QTGQPYIILRRHGD-UHFFFAOYSA-N 0 0 275.396 2.734 50 0 CFAARN NC(=O)c1ccccc1OCc1ccn(-c2ccccc2)n1 ZINC000058308128 373644795 /nfs/dbraw/zinc/64/47/95/373644795.db2.gz AOEVSABBGJWZAR-UHFFFAOYSA-N 0 0 293.326 2.550 50 0 CFAARN NC(=O)[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000058314144 373644936 /nfs/dbraw/zinc/64/49/36/373644936.db2.gz XQKHHDDPXZUORV-CQSZACIVSA-N 0 0 292.741 2.795 50 0 CFAARN NC(=O)c1cccc(OCCCOc2ccccc2)c1 ZINC000058329168 373645634 /nfs/dbraw/zinc/64/56/34/373645634.db2.gz MONITFYEAZFDMP-UHFFFAOYSA-N 0 0 271.316 2.633 50 0 CFAARN CN(C)C(=O)[C@H]1CCCN1Cc1ccc(F)cc1Cl ZINC000058452526 373658518 /nfs/dbraw/zinc/65/85/18/373658518.db2.gz BQSMTVJWINWTAO-CYBMUJFWSA-N 0 0 284.762 2.532 50 0 CFAARN O[C@@H](CNc1ncnc2ccccc21)c1ccccc1F ZINC000058331182 373647005 /nfs/dbraw/zinc/64/70/05/373647005.db2.gz YJVNEMMIVBVNPL-HNNXBMFYSA-N 0 0 283.306 2.914 50 0 CFAARN Cc1ccccc1CC(=O)NC[C@H](O)c1cccc(F)c1 ZINC000058341539 373648334 /nfs/dbraw/zinc/64/83/34/373648334.db2.gz IFAGRANPDHUQBL-INIZCTEOSA-N 0 0 287.334 2.526 50 0 CFAARN CCOC(=O)CCN(CC1CC1)C(=O)c1ccc(F)cc1 ZINC000058377577 373650921 /nfs/dbraw/zinc/65/09/21/373650921.db2.gz VYQDMJVHEBWYKG-UHFFFAOYSA-N 0 0 293.338 2.631 50 0 CFAARN CN(Cc1ccc(O)cc1)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000058366799 373651039 /nfs/dbraw/zinc/65/10/39/373651039.db2.gz URGJBDVMRBSGJI-UHFFFAOYSA-N 0 0 297.314 2.648 50 0 CFAARN Cc1csc([C@H]2CCCCN2Cc2nc(C)no2)n1 ZINC000058379454 373652598 /nfs/dbraw/zinc/65/25/98/373652598.db2.gz YGZDJHHSJYOEKR-LLVKDONJSA-N 0 0 278.381 2.870 50 0 CFAARN O=C(NCCc1cccnc1)c1ccc2ccccc2n1 ZINC000057541956 373598044 /nfs/dbraw/zinc/59/80/44/373598044.db2.gz CDFUZOFVUUYMNJ-UHFFFAOYSA-N 0 0 277.327 2.602 50 0 CFAARN Cc1ccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1C ZINC000057536064 373598239 /nfs/dbraw/zinc/59/82/39/373598239.db2.gz XLJHGTNYVZNZSA-GFCCVEGCSA-N 0 0 276.380 2.793 50 0 CFAARN C[C@H](NC(=O)c1ccc(-n2ccnc2)nc1)c1ccccc1 ZINC000057563027 373599965 /nfs/dbraw/zinc/59/99/65/373599965.db2.gz CTUAKSYLGYGMKU-ZDUSSCGKSA-N 0 0 292.342 2.758 50 0 CFAARN O=C(c1n[nH]c2ccccc21)N1CCCCCCC1 ZINC000057674917 373606772 /nfs/dbraw/zinc/60/67/72/373606772.db2.gz OEXMKXDVKBZPJH-UHFFFAOYSA-N 0 0 257.337 2.969 50 0 CFAARN O=C(Nc1ncccc1OC(F)F)c1ccsc1 ZINC000057697604 373608996 /nfs/dbraw/zinc/60/89/96/373608996.db2.gz UGIBORXTQQNGPK-UHFFFAOYSA-N 0 0 270.260 2.997 50 0 CFAARN Cc1cc([C@H](C)NCc2c(C)nn(C)c2N(C)C)c(C)o1 ZINC000058433965 373659346 /nfs/dbraw/zinc/65/93/46/373659346.db2.gz VTXQUFAQWOCLQB-NSHDSACASA-N 0 0 290.411 2.855 50 0 CFAARN CC[C@@H](C)C(=O)OCc1cc(F)cc2c1OCOC2 ZINC000058553127 373663948 /nfs/dbraw/zinc/66/39/48/373663948.db2.gz AXORIVLOTIKSBO-SECBINFHSA-N 0 0 268.284 2.782 50 0 CFAARN COc1ccc(NCC(=O)N2CCCC[C@@H]2C)cc1F ZINC000059801794 373683667 /nfs/dbraw/zinc/68/36/67/373683667.db2.gz XEDQTVGDWJPGEM-NSHDSACASA-N 0 0 280.343 2.647 50 0 CFAARN CCN(C)c1cccc(NC(=O)C2CCOCC2)c1 ZINC000060354599 373690615 /nfs/dbraw/zinc/69/06/15/373690615.db2.gz NHYUURKAEKUXEM-UHFFFAOYSA-N 0 0 262.353 2.508 50 0 CFAARN CCc1ccsc1C(=O)N(C)CC(=O)OC(C)(C)C ZINC000060344627 373691302 /nfs/dbraw/zinc/69/13/02/373691302.db2.gz FBKGOERGOMEBSJ-UHFFFAOYSA-N 0 0 283.393 2.724 50 0 CFAARN O=C(Nc1nc(-c2ccccn2)cs1)c1ccccn1 ZINC000012523323 284412152 /nfs/dbraw/zinc/41/21/52/284412152.db2.gz FULUQIKIVKRMCT-UHFFFAOYSA-N 0 0 282.328 2.852 50 0 CFAARN CS(=O)(=O)CCSCc1cc(F)cc2cccnc21 ZINC000060515398 373697247 /nfs/dbraw/zinc/69/72/47/373697247.db2.gz RJBPGGFYJFDRRC-UHFFFAOYSA-N 0 0 299.392 2.652 50 0 CFAARN CCN(CC)C(=O)/C=C/c1ccc(-n2ccnc2)cc1 ZINC000060520093 373697254 /nfs/dbraw/zinc/69/72/54/373697254.db2.gz FXZSPXLDSASQKH-JXMROGBWSA-N 0 0 269.348 2.754 50 0 CFAARN C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccccn1 ZINC000060777532 373703136 /nfs/dbraw/zinc/70/31/36/373703136.db2.gz OUZHLDDOKMKLTQ-VIFPVBQESA-N 0 0 262.259 2.851 50 0 CFAARN CC(C)(C)CC(=O)Oc1ccc(N2CCOC2=O)cc1 ZINC000060867792 373706272 /nfs/dbraw/zinc/70/62/72/373706272.db2.gz HPURIYDDNRFWQI-UHFFFAOYSA-N 0 0 277.320 2.985 50 0 CFAARN Cn1cc(NC(=O)Cn2ccc3c2cccc3Cl)cn1 ZINC000061717747 373724067 /nfs/dbraw/zinc/72/40/67/373724067.db2.gz UJJFYGQGGRWLPX-UHFFFAOYSA-N 0 0 288.738 2.667 50 0 CFAARN Cn1ccc2c1cccc2NC(=O)c1cccnc1 ZINC000061719620 373724534 /nfs/dbraw/zinc/72/45/34/373724534.db2.gz GDOYWZHXKBCVLV-UHFFFAOYSA-N 0 0 251.289 2.826 50 0 CFAARN C[C@H](c1cn2ccccc2n1)N1C(=O)c2ccccc2C1=O ZINC000061997460 373743457 /nfs/dbraw/zinc/74/34/57/373743457.db2.gz ZMDLFJQPLOZEHY-LLVKDONJSA-N 0 0 291.310 2.692 50 0 CFAARN C[C@](O)(CNC(=O)c1cccc2ccccc21)C1CC1 ZINC000062021629 373743851 /nfs/dbraw/zinc/74/38/51/373743851.db2.gz YUKPLZAQCUVCHI-KRWDZBQOSA-N 0 0 269.344 2.731 50 0 CFAARN CSCC[C@@H]([NH2+]Cc1cccc(OC(C)C)c1)C(=O)[O-] ZINC000062718287 373763294 /nfs/dbraw/zinc/76/32/94/373763294.db2.gz NCAKNZIRUDGDBA-CQSZACIVSA-N 0 0 297.420 2.770 50 0 CFAARN O=C(Cc1cccs1)NCc1noc(-c2ccccc2)n1 ZINC000063487072 373807520 /nfs/dbraw/zinc/80/75/20/373807520.db2.gz HOOQZBAKGHSOJJ-UHFFFAOYSA-N 0 0 299.355 2.657 50 0 CFAARN CC[C@@H](CO)N(Cc1cccs1)Cc1cc(C)nn1C ZINC000063856617 373817273 /nfs/dbraw/zinc/81/72/73/373817273.db2.gz BURGDURPMYWXGW-ZDUSSCGKSA-N 0 0 293.436 2.563 50 0 CFAARN CN(CC1CCCC1)C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000064089045 373818604 /nfs/dbraw/zinc/81/86/04/373818604.db2.gz XGKCYJYYMLRFTL-FQEVSTJZSA-N 0 0 293.432 2.827 50 0 CFAARN CCOc1ccc(C(=O)N2CCN(C)c3ncccc32)cc1 ZINC000064929679 373839552 /nfs/dbraw/zinc/83/95/52/373839552.db2.gz VSURGQUNJNTFDO-UHFFFAOYSA-N 0 0 297.358 2.577 50 0 CFAARN O=C(NCCSC(F)(F)F)c1ccc2c(c1)COC2 ZINC000064393803 373822614 /nfs/dbraw/zinc/82/26/14/373822614.db2.gz KETIGGWKXWZSJW-UHFFFAOYSA-N 0 0 291.294 2.700 50 0 CFAARN Cc1cc(C)cc(C(=O)NCc2ccc3c(c2)nnn3C)c1 ZINC000064542077 373824848 /nfs/dbraw/zinc/82/48/48/373824848.db2.gz WHGBXWOHIHMXLX-UHFFFAOYSA-N 0 0 294.358 2.515 50 0 CFAARN CCC(=O)N1CCc2c1cccc2C(=O)NC1CCCC1 ZINC000064542681 373824947 /nfs/dbraw/zinc/82/49/47/373824947.db2.gz XPISKBMSTCBLIW-UHFFFAOYSA-N 0 0 286.375 2.658 50 0 CFAARN COc1cncc(C(=O)Nc2cc(F)ccc2F)c1 ZINC000064542030 373825617 /nfs/dbraw/zinc/82/56/17/373825617.db2.gz USFDCOCDWIRXLS-UHFFFAOYSA-N 0 0 264.231 2.621 50 0 CFAARN O=C(c1cccnc1)N1CCc2cc(-c3ccno3)ccc21 ZINC000064543161 373826744 /nfs/dbraw/zinc/82/67/44/373826744.db2.gz AFTBOBBMHRXLMA-UHFFFAOYSA-N 0 0 291.310 2.940 50 0 CFAARN Clc1cccc(-c2noc(Cn3ccnc3)n2)c1 ZINC000064542869 373827184 /nfs/dbraw/zinc/82/71/84/373827184.db2.gz ZHQXFBZVWXEBBJ-UHFFFAOYSA-N 0 0 260.684 2.635 50 0 CFAARN Cc1nnsc1CN(C)C(=O)c1ccc(C)cc1C ZINC000064555794 373829857 /nfs/dbraw/zinc/82/98/57/373829857.db2.gz UAAVIMRTWBYARJ-UHFFFAOYSA-N 0 0 275.377 2.736 50 0 CFAARN Cc1cc(C(=O)NCc2ccc(F)cc2Cl)on1 ZINC000064555338 373830092 /nfs/dbraw/zinc/83/00/92/373830092.db2.gz KHZDGBOPYXLZPK-UHFFFAOYSA-N 0 0 268.675 2.706 50 0 CFAARN Cc1cc(Nc2cccc(F)c2C)n2ncnc2n1 ZINC000064555366 373830226 /nfs/dbraw/zinc/83/02/26/373830226.db2.gz IMFLMVSFZZXAOV-UHFFFAOYSA-N 0 0 257.272 2.624 50 0 CFAARN CCCNC(=O)CCc1cn(C)nc1-c1ccc(F)cc1 ZINC000064659728 373831720 /nfs/dbraw/zinc/83/17/20/373831720.db2.gz FMIOHYUWUDROIZ-UHFFFAOYSA-N 0 0 289.354 2.685 50 0 CFAARN O=C(Cc1ccc(F)cc1)NCCn1cnc2ccccc21 ZINC000064661416 373832053 /nfs/dbraw/zinc/83/20/53/373832053.db2.gz CZCYAVRPWSAWKU-UHFFFAOYSA-N 0 0 297.333 2.534 50 0 CFAARN CNC(=O)C[C@H]1COc2ccccc2N1Cc1ccccc1 ZINC000064663439 373833560 /nfs/dbraw/zinc/83/35/60/373833560.db2.gz KASGVRRSLCMJOR-HNNXBMFYSA-N 0 0 296.370 2.590 50 0 CFAARN Cc1ccc2c(c1)OC[C@@H](CC(=O)NC1CCCC1)N2C ZINC000064663517 373833719 /nfs/dbraw/zinc/83/37/19/373833719.db2.gz KLZBQCFVFGGWMM-CQSZACIVSA-N 0 0 288.391 2.641 50 0 CFAARN CCCCC(=O)N1CC(OCc2ccc(C)cc2)C1 ZINC000064665757 373833776 /nfs/dbraw/zinc/83/37/76/373833776.db2.gz RALMVUYHKZAMHJ-UHFFFAOYSA-N 0 0 261.365 2.913 50 0 CFAARN COC(=O)[C@@H](NC(=O)/C=C/c1ccc(C)o1)c1ccccc1 ZINC000064844486 373837361 /nfs/dbraw/zinc/83/73/61/373837361.db2.gz VTODEHSAIDTLOG-OFAQMXQXSA-N 0 0 299.326 2.632 50 0 CFAARN CCCOCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000065492160 373878308 /nfs/dbraw/zinc/87/83/08/373878308.db2.gz ZDDPGYRAFDNQNE-CQSZACIVSA-N 0 0 287.363 2.653 50 0 CFAARN CC(=O)Nc1ccc(-n2ccc(C)n2)c2cccnc12 ZINC000065506224 373879817 /nfs/dbraw/zinc/87/98/17/373879817.db2.gz KKNLKSCXBOHONF-UHFFFAOYSA-N 0 0 266.304 2.687 50 0 CFAARN C[C@H](Nc1nc(N(C)C)nc2c1CCCC2)c1cccnc1 ZINC000065497544 373880559 /nfs/dbraw/zinc/88/05/59/373880559.db2.gz REBLHVWKFXGPDH-LBPRGKRZSA-N 0 0 297.406 2.990 50 0 CFAARN O=C(C[C@@H]1C=CCC1)NC[C@H](O)c1ccc(Cl)cc1 ZINC000065548814 373886751 /nfs/dbraw/zinc/88/67/51/373886751.db2.gz SDDPJQTVEUMWDI-RISCZKNCSA-N 0 0 279.767 2.846 50 0 CFAARN C[C@@H]1COCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000065550587 373887222 /nfs/dbraw/zinc/88/72/22/373887222.db2.gz KDSISSVVSFHGGT-LLVKDONJSA-N 0 0 276.311 2.701 50 0 CFAARN O=C(Cc1ccccc1)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000065547481 373887962 /nfs/dbraw/zinc/88/79/62/373887962.db2.gz DZBAHOBPVKHSFX-UHFFFAOYSA-N 0 0 296.248 2.575 50 0 CFAARN Cc1ncc(C(=O)NC[C@@H](C)N(C)c2ccccc2)s1 ZINC000065576906 373888923 /nfs/dbraw/zinc/88/89/23/373888923.db2.gz HWBWLPJHPQRQIG-LLVKDONJSA-N 0 0 289.404 2.706 50 0 CFAARN CCCCNC(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000065566241 373889609 /nfs/dbraw/zinc/88/96/09/373889609.db2.gz KCTCBBLJLVQSOM-UHFFFAOYSA-N 0 0 291.351 2.560 50 0 CFAARN CCCNC(=O)CCC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000065567806 373889672 /nfs/dbraw/zinc/88/96/72/373889672.db2.gz GRUWMVIRAVPNLO-LLVKDONJSA-N 0 0 296.798 2.824 50 0 CFAARN CNC(=O)c1cnc(/C=C/c2ccc(F)c(F)c2)s1 ZINC000065593074 373891418 /nfs/dbraw/zinc/89/14/18/373891418.db2.gz LPBAAQUYEZSAHB-HWKANZROSA-N 0 0 280.299 2.951 50 0 CFAARN COCCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000065609908 373896135 /nfs/dbraw/zinc/89/61/35/373896135.db2.gz SRVFLTDQBOPDCF-LBPRGKRZSA-N 0 0 288.347 2.570 50 0 CFAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OC1CCCC1 ZINC000065654402 373897457 /nfs/dbraw/zinc/89/74/57/373897457.db2.gz VGNRIFGJPQADJB-LBPRGKRZSA-N 0 0 283.368 2.872 50 0 CFAARN Cc1nnc(-c2cccn2CC(=O)Nc2ccccc2C)o1 ZINC000065035351 373841606 /nfs/dbraw/zinc/84/16/06/373841606.db2.gz PIRSNTLBMKERMD-UHFFFAOYSA-N 0 0 296.330 2.794 50 0 CFAARN Cc1c2cccc(C)c2oc1-c1noc(C(=O)NC2CC2)n1 ZINC000065010040 373841619 /nfs/dbraw/zinc/84/16/19/373841619.db2.gz DQKDDPKFWLMZKB-UHFFFAOYSA-N 0 0 297.314 2.992 50 0 CFAARN CSc1ccc(NC(=O)N2CCc3[nH]cnc3C2)cc1 ZINC000065164296 373845241 /nfs/dbraw/zinc/84/52/41/373845241.db2.gz MGJTVJNSAVZOMQ-UHFFFAOYSA-N 0 0 288.376 2.722 50 0 CFAARN O=C(Nc1ccccc1Cl)N1CCc2[nH]cnc2C1 ZINC000065164210 373845639 /nfs/dbraw/zinc/84/56/39/373845639.db2.gz FYIHHHLRMANWCE-UHFFFAOYSA-N 0 0 276.727 2.653 50 0 CFAARN CCc1cccc(NC(=O)N2CCc3[nH]cnc3C2)c1 ZINC000065164286 373845921 /nfs/dbraw/zinc/84/59/21/373845921.db2.gz VAEWRHRWNRONOT-UHFFFAOYSA-N 0 0 270.336 2.562 50 0 CFAARN CCc1nc2cc(-c3noc(-c4ccnn4C)n3)ccc2o1 ZINC000065149806 373846195 /nfs/dbraw/zinc/84/61/95/373846195.db2.gz RTQCBAYTCDSAIL-UHFFFAOYSA-N 0 0 295.302 2.841 50 0 CFAARN Cc1ccc(NC(=O)N2CCc3[nH]cnc3C2)cc1Cl ZINC000065164148 373847056 /nfs/dbraw/zinc/84/70/56/373847056.db2.gz FYRPCUASHZAWGM-UHFFFAOYSA-N 0 0 290.754 2.962 50 0 CFAARN COCCC1CCN(C(=O)c2ccc(OC)cc2C)CC1 ZINC000065180914 373848291 /nfs/dbraw/zinc/84/82/91/373848291.db2.gz HVERZERBRGIEOL-UHFFFAOYSA-N 0 0 291.391 2.892 50 0 CFAARN CCCCN1Cc2cc(Br)ccc2OCC1=O ZINC000065184418 373848547 /nfs/dbraw/zinc/84/85/47/373848547.db2.gz GLUYHWQKLFXNAC-UHFFFAOYSA-N 0 0 298.180 2.970 50 0 CFAARN COc1ccc(NC(=O)c2cn3c(n2)CCCC3)cc1F ZINC000065231707 373850049 /nfs/dbraw/zinc/85/00/49/373850049.db2.gz TVWBOCOFMYWINO-UHFFFAOYSA-N 0 0 289.310 2.619 50 0 CFAARN CCc1nccn1Cc1noc(-c2ccccc2F)n1 ZINC000065288334 373855045 /nfs/dbraw/zinc/85/50/45/373855045.db2.gz FMAVRVUOFRBSTN-UHFFFAOYSA-N 0 0 272.283 2.683 50 0 CFAARN CCc1nccn1Cc1noc(-c2ccc(C)cc2)n1 ZINC000065288337 373855374 /nfs/dbraw/zinc/85/53/74/373855374.db2.gz VAGWGVLQEUZDNJ-UHFFFAOYSA-N 0 0 268.320 2.852 50 0 CFAARN CC[C@H](OC)c1n[nH]c(=O)n1-c1ccc2ccccc2c1 ZINC000065373710 373858593 /nfs/dbraw/zinc/85/85/93/373858593.db2.gz IHTHGKLJRWIBDE-AWEZNQCLSA-N 0 0 283.331 2.811 50 0 CFAARN CC(C)Cc1nc([C@H](C)n2ccnc2C(C)C)n[nH]1 ZINC000065366210 373858836 /nfs/dbraw/zinc/85/88/36/373858836.db2.gz KYXSYNBAHUPTAW-NSHDSACASA-N 0 0 261.373 2.932 50 0 CFAARN COc1ccc(CCc2n[nH]c(CC(C)C)n2)cc1OC ZINC000065370166 373859192 /nfs/dbraw/zinc/85/91/92/373859192.db2.gz XCQDLBRZKOURHP-UHFFFAOYSA-N 0 0 289.379 2.806 50 0 CFAARN C[C@H](c1ccccn1)N(C)Cc1cccn1-c1ncccn1 ZINC000065383453 373861644 /nfs/dbraw/zinc/86/16/44/373861644.db2.gz NRILPAFILAYCHR-CQSZACIVSA-N 0 0 293.374 2.855 50 0 CFAARN CSCC[C@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21 ZINC000065382735 373861900 /nfs/dbraw/zinc/86/19/00/373861900.db2.gz ZANFDWTXFBVUNS-VIFPVBQESA-N 0 0 265.382 2.856 50 0 CFAARN CNc1ccnc(N(C)Cc2ccc3ccccc3n2)n1 ZINC000065394519 373864396 /nfs/dbraw/zinc/86/43/96/373864396.db2.gz FSUWSDQUQPCCSL-UHFFFAOYSA-N 0 0 279.347 2.703 50 0 CFAARN COc1ccc(F)c(-c2ccc(CNC(C)=O)cn2)c1 ZINC000065404063 373866402 /nfs/dbraw/zinc/86/64/02/373866402.db2.gz PRDCPSKAZCPKLI-UHFFFAOYSA-N 0 0 274.295 2.532 50 0 CFAARN CCCc1nc(C(=O)N(C)[C@H](C)c2ccon2)cs1 ZINC000065406207 373868173 /nfs/dbraw/zinc/86/81/73/373868173.db2.gz HOAHLYVCYNHIQX-SECBINFHSA-N 0 0 279.365 2.917 50 0 CFAARN c1nn2ccccc2c1-c1nnc(Cc2ccccc2)[nH]1 ZINC000065419377 373868332 /nfs/dbraw/zinc/86/83/32/373868332.db2.gz FEGSTEIVSORCNN-UHFFFAOYSA-N 0 0 275.315 2.710 50 0 CFAARN O=C(N[C@H]1CCOc2ccccc21)c1cc(C2CC2)on1 ZINC000065410556 373869251 /nfs/dbraw/zinc/86/92/51/373869251.db2.gz PNHRCYFSSMKWGV-LBPRGKRZSA-N 0 0 284.315 2.806 50 0 CFAARN C[C@@H]1CN(c2ncnc3c2cnn3C)c2ccccc21 ZINC000065429172 373871456 /nfs/dbraw/zinc/87/14/56/373871456.db2.gz KLZPYEFPMHGAEM-SNVBAGLBSA-N 0 0 265.320 2.619 50 0 CFAARN CC[C@H](c1cccnc1)[N@H+](C)Cc1ncccc1C(=O)[O-] ZINC000065434207 373872266 /nfs/dbraw/zinc/87/22/66/373872266.db2.gz GEPTWSNBNIQGAS-OAHLLOKOSA-N 0 0 285.347 2.758 50 0 CFAARN Cc1cc(NC(=O)CNc2cc(Cl)ccc2F)no1 ZINC000065440111 373872845 /nfs/dbraw/zinc/87/28/45/373872845.db2.gz HDPRPWPLKAJSQF-UHFFFAOYSA-N 0 0 283.690 2.826 50 0 CFAARN Cc1ccc([C@@H](C)NC(=O)Nc2c(C)n[nH]c2C)o1 ZINC000065434215 373873614 /nfs/dbraw/zinc/87/36/14/373873614.db2.gz FABIIDULXMPCQZ-MRVPVSSYSA-N 0 0 262.313 2.811 50 0 CFAARN COc1c(C)cnc(CN(C)c2nc(C)cc(C)n2)c1C ZINC000065468143 373875611 /nfs/dbraw/zinc/87/56/11/373875611.db2.gz SKJJYQWCFCPLIV-UHFFFAOYSA-N 0 0 286.379 2.750 50 0 CFAARN Cn1cc(C(=O)N2CCC[C@@H]2C2CCCCC2)ccc1=O ZINC000065467534 373875946 /nfs/dbraw/zinc/87/59/46/373875946.db2.gz JUDAQLJXRCIDPT-OAHLLOKOSA-N 0 0 288.391 2.570 50 0 CFAARN CNC(=O)c1cccc(-n2cnc(-c3ccccc3)c2)c1 ZINC000065461285 373876224 /nfs/dbraw/zinc/87/62/24/373876224.db2.gz GGPKHQKHTKBLON-UHFFFAOYSA-N 0 0 277.327 2.899 50 0 CFAARN Cc1nnsc1CN(C)Cc1cccc(-n2cccn2)c1 ZINC000065491106 373877714 /nfs/dbraw/zinc/87/77/14/373877714.db2.gz HEYIZFJGVZUAPI-UHFFFAOYSA-N 0 0 299.403 2.664 50 0 CFAARN Cc1csc([C@@H]2CN(CC3(O)CCCCC3)CCO2)n1 ZINC000065478954 373877827 /nfs/dbraw/zinc/87/78/27/373877827.db2.gz ULUOVWMHBJFNCM-ZDUSSCGKSA-N 0 0 296.436 2.520 50 0 CFAARN CN(C(=O)C[S@](=O)Cc1ccccc1)c1ccccc1 ZINC000066300124 373922622 /nfs/dbraw/zinc/92/26/22/373922622.db2.gz AWXVVLBWVKYFRB-FQEVSTJZSA-N 0 0 287.384 2.598 50 0 CFAARN CC(C)(C)OC(=O)Nc1ccc(NC(=O)C2CC2)cn1 ZINC000066511099 373935255 /nfs/dbraw/zinc/93/52/55/373935255.db2.gz LBJOWSOIEFXEMI-UHFFFAOYSA-N 0 0 277.324 2.777 50 0 CFAARN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 ZINC000067713917 373995376 /nfs/dbraw/zinc/99/53/76/373995376.db2.gz GFSOINHNZTZCMH-ZDUSSCGKSA-N 0 0 284.359 2.791 50 0 CFAARN CCc1nc(C)c(C(=O)NCCc2nc(C)c(C)s2)o1 ZINC000067741978 373996381 /nfs/dbraw/zinc/99/63/81/373996381.db2.gz RZPNLRGGHYRZLH-UHFFFAOYSA-N 0 0 293.392 2.591 50 0 CFAARN NC(=O)c1cc2c(cc1/C=C/c1ccccc1)OCO2 ZINC000067726244 373996769 /nfs/dbraw/zinc/99/67/69/373996769.db2.gz FNMIYYNJJHGTPO-VOTSOKGWSA-N 0 0 267.284 2.685 50 0 CFAARN Cc1ccc(F)cc1-n1c(CCc2ccccc2)n[nH]c1=O ZINC000067785140 374000900 /nfs/dbraw/zinc/00/09/00/374000900.db2.gz PVZDWFLTTBNOSR-UHFFFAOYSA-N 0 0 297.333 2.793 50 0 CFAARN COc1ccc(C)cc1-n1cnnc1-c1cc(C2CC2)[nH]n1 ZINC000067784437 374001197 /nfs/dbraw/zinc/00/11/97/374001197.db2.gz INBDOKFICZBIPY-UHFFFAOYSA-N 0 0 295.346 2.852 50 0 CFAARN CC(C)=CC(=O)N(CC1CCC1)C[C@H]1CCCO1 ZINC000067788646 374001276 /nfs/dbraw/zinc/00/12/76/374001276.db2.gz MFDZSGAHHOQZMH-CQSZACIVSA-N 0 0 251.370 2.760 50 0 CFAARN Cc1cc2nc(CN(C)Cc3ccc(CO)o3)[nH]c2cc1C ZINC000067878985 374012443 /nfs/dbraw/zinc/01/24/43/374012443.db2.gz NABNIYLEBXSUMD-UHFFFAOYSA-N 0 0 299.374 2.897 50 0 CFAARN Cc1nc(CCNC(=O)c2cc(C(C)C)on2)sc1C ZINC000067878521 374013041 /nfs/dbraw/zinc/01/30/41/374013041.db2.gz LAAPADJENJLJAF-UHFFFAOYSA-N 0 0 293.392 2.844 50 0 CFAARN CC(C)CNC(=O)c1snc(-c2ccccc2)c1N ZINC000067334712 373975490 /nfs/dbraw/zinc/97/54/90/373975490.db2.gz ZQBYGIRKBHYVFZ-UHFFFAOYSA-N 0 0 275.377 2.778 50 0 CFAARN CC(=O)c1cc(C(=O)N(C)Cc2c(C)noc2C)cs1 ZINC000067514497 373980638 /nfs/dbraw/zinc/98/06/38/373980638.db2.gz ITSFVECODSRWHD-UHFFFAOYSA-N 0 0 292.360 2.828 50 0 CFAARN COc1ccc(F)cc1C(=O)Nc1cnc2n1CCCC2 ZINC000067649693 373986970 /nfs/dbraw/zinc/98/69/70/373986970.db2.gz CCOHGZVXIJSALU-UHFFFAOYSA-N 0 0 289.310 2.619 50 0 CFAARN CNC(=O)COc1ccc(-c2c(F)cccc2OC)cc1 ZINC000067643148 373987142 /nfs/dbraw/zinc/98/71/42/373987142.db2.gz KEQPIFGHHKVXPX-UHFFFAOYSA-N 0 0 289.306 2.626 50 0 CFAARN Cc1cccc2[nH]c(-c3ccc(OCCO)cc3)nc21 ZINC000067641983 373987171 /nfs/dbraw/zinc/98/71/71/373987171.db2.gz OADOQOSFCRIQNH-UHFFFAOYSA-N 0 0 268.316 2.909 50 0 CFAARN CCCc1nc(C(=O)Nc2cnc3n2CCCC3)cs1 ZINC000067649588 373987224 /nfs/dbraw/zinc/98/72/24/373987224.db2.gz QSIODJHQIOFJOL-UHFFFAOYSA-N 0 0 290.392 2.881 50 0 CFAARN c1ncn(C[C@@H]2CCCN2c2nc3ccccc3s2)n1 ZINC000069601697 374078901 /nfs/dbraw/zinc/07/89/01/374078901.db2.gz WZNDPJNFVNSGTL-NSHDSACASA-N 0 0 285.376 2.557 50 0 CFAARN COc1ccc([C@@H](C)Sc2nc(N)n[nH]2)cc1Cl ZINC000069618002 374078934 /nfs/dbraw/zinc/07/89/34/374078934.db2.gz YJNUNAYVFXCOAN-ZCFIWIBFSA-N 0 0 284.772 2.902 50 0 CFAARN Brc1ccccc1CN1CC(n2cccn2)C1 ZINC000069616380 374079078 /nfs/dbraw/zinc/07/90/78/374079078.db2.gz PIRUZLCQLPFYSW-UHFFFAOYSA-N 0 0 292.180 2.703 50 0 CFAARN CC(C)OCC(=O)N1CCCCC[C@H]1c1ccncc1 ZINC000068177798 374024677 /nfs/dbraw/zinc/02/46/77/374024677.db2.gz MIKJQDOIFFMRON-HNNXBMFYSA-N 0 0 276.380 2.950 50 0 CFAARN Cn1nc(C(C)(C)C)cc1NC(=O)OCC(F)(F)F ZINC000068585012 374034738 /nfs/dbraw/zinc/03/47/38/374034738.db2.gz MNCDKTOJODKTPX-UHFFFAOYSA-N 0 0 279.262 2.828 50 0 CFAARN CCN(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000069632641 374081151 /nfs/dbraw/zinc/08/11/51/374081151.db2.gz GRIPQVJPEPYKOR-UHFFFAOYSA-N 0 0 278.352 2.965 50 0 CFAARN COc1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1C ZINC000069035673 374045683 /nfs/dbraw/zinc/04/56/83/374045683.db2.gz QIHODZVEVQBLRV-CYBMUJFWSA-N 0 0 278.352 2.646 50 0 CFAARN Fc1ccc(CNc2nnc(-c3cnccn3)s2)cc1 ZINC000069138070 374049902 /nfs/dbraw/zinc/04/99/02/374049902.db2.gz IZMSBARUZDYFHZ-UHFFFAOYSA-N 0 0 287.323 2.746 50 0 CFAARN O=C1CCCN1c1ccc(OCc2nc(C3CC3)no2)cc1 ZINC000069150414 374049929 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282.347 2.701 50 0 CFAARN C[C@@H](Nc1cc(Cl)c2cc[nH]c2n1)c1nncn1C ZINC000072164841 176331335 /nfs/dbraw/zinc/33/13/35/176331335.db2.gz MOEDTDJTVWBTDT-SSDOTTSWSA-N 0 0 276.731 2.518 50 0 CFAARN COc1cccc(OC2CN(C[C@H](C)C(F)(F)F)C2)c1 ZINC000072168120 176331808 /nfs/dbraw/zinc/33/18/08/176331808.db2.gz NDVUVSIHBWHASE-JTQLQIEISA-N 0 0 289.297 2.957 50 0 CFAARN CCCc1cc(NCC[C@H]2CCCOC2)n2nccc2n1 ZINC000072169464 176332598 /nfs/dbraw/zinc/33/25/98/176332598.db2.gz AABNDCCLTVIOEB-CYBMUJFWSA-N 0 0 288.395 2.910 50 0 CFAARN CC(C)c1noc(-c2cn(CCc3ccccc3)nn2)n1 ZINC000072169207 176332635 /nfs/dbraw/zinc/33/26/35/176332635.db2.gz DHFNWQOLIXATHW-UHFFFAOYSA-N 0 0 283.335 2.694 50 0 CFAARN Cc1ccc(C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC000072194159 176337264 /nfs/dbraw/zinc/33/72/64/176337264.db2.gz ATYGIIRPFYKOHU-UHFFFAOYSA-N 0 0 299.292 2.979 50 0 CFAARN Cc1ccc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)s1 ZINC000072232034 176344175 /nfs/dbraw/zinc/34/41/75/176344175.db2.gz VKPFVDCCCXPJDY-NSHDSACASA-N 0 0 291.376 2.768 50 0 CFAARN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccco1 ZINC000072233990 176344591 /nfs/dbraw/zinc/34/45/91/176344591.db2.gz LLDAHGOSUPKCFS-GFCCVEGCSA-N 0 0 273.336 2.607 50 0 CFAARN O=C(Cc1ccccc1)NCCCn1ncc2ccccc21 ZINC000072239456 176347536 /nfs/dbraw/zinc/34/75/36/176347536.db2.gz YVUCIWMEPIEBGO-UHFFFAOYSA-N 0 0 293.370 2.785 50 0 CFAARN O=C(NCCCn1ncc2ccccc21)c1ccc(F)cc1 ZINC000072239454 176347559 /nfs/dbraw/zinc/34/75/59/176347559.db2.gz RBRGYZWNMYWHSY-UHFFFAOYSA-N 0 0 297.333 2.996 50 0 CFAARN Cc1ccc2cnn(CCCNC(=O)c3ccccn3)c2c1 ZINC000072239514 176347613 /nfs/dbraw/zinc/34/76/13/176347613.db2.gz GFXOJJODVUOYIR-UHFFFAOYSA-N 0 0 294.358 2.560 50 0 CFAARN COc1cc(C(=O)NCc2cccnc2)cc2occc21 ZINC000072240079 176347894 /nfs/dbraw/zinc/34/78/94/176347894.db2.gz QFECWJBFCNXZNU-UHFFFAOYSA-N 0 0 282.299 2.766 50 0 CFAARN O=C(CCCc1ccccc1)N[C@H]1CCCc2ncncc21 ZINC000072242682 176349173 /nfs/dbraw/zinc/34/91/73/176349173.db2.gz MKAVVZYXWKPLCX-KRWDZBQOSA-N 0 0 295.386 2.993 50 0 CFAARN O=C(N[C@@H]1CCCc2ncncc21)[C@H]1C[C@@H]1c1ccccc1 ZINC000072242677 176349321 /nfs/dbraw/zinc/34/93/21/176349321.db2.gz JDSDPEFGJLTYMD-JKIFEVAISA-N 0 0 293.370 2.774 50 0 CFAARN O=C(NCc1ccncc1)c1ccc(-c2ccco2)o1 ZINC000072243284 176349702 /nfs/dbraw/zinc/34/97/02/176349702.db2.gz VYBQRDVUXQIRHP-UHFFFAOYSA-N 0 0 268.272 2.865 50 0 CFAARN CC(C)c1cc(C(=O)Nc2cnn(CC3CC3)c2)no1 ZINC000072251974 176350019 /nfs/dbraw/zinc/35/00/19/176350019.db2.gz YGOPLQMAXZENGR-UHFFFAOYSA-N 0 0 274.324 2.657 50 0 CFAARN O=C(CCn1ncc2c1cccc2Cl)NCC1CCC1 ZINC000072259797 176351046 /nfs/dbraw/zinc/35/10/46/176351046.db2.gz DWINNYGJGQCOQA-UHFFFAOYSA-N 0 0 291.782 2.996 50 0 CFAARN Cc1nc(CN2CCc3cnc(C(C)C)nc3C2)oc1C ZINC000072268498 176353162 /nfs/dbraw/zinc/35/31/62/176353162.db2.gz IUNNMVULEOKVQW-UHFFFAOYSA-N 0 0 286.379 2.763 50 0 CFAARN Cc1nc(C)c([C@@H](C)N(C)C(=O)NC[C@@H]2CCCO2)s1 ZINC000072270030 176354130 /nfs/dbraw/zinc/35/41/30/176354130.db2.gz SMHOOZABOPQPEZ-PWSUYJOCSA-N 0 0 297.424 2.641 50 0 CFAARN O=C(CCCc1ccccn1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072274091 176355381 /nfs/dbraw/zinc/35/53/81/176355381.db2.gz FMNHPKMRYHTTCL-CQSZACIVSA-N 0 0 298.390 2.534 50 0 CFAARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccccc1O ZINC000072274529 176356053 /nfs/dbraw/zinc/35/60/53/176356053.db2.gz GJWGXZFAYJNAJQ-UHFFFAOYSA-N 0 0 295.289 2.782 50 0 CFAARN O=C(Nc1ccc(CN(C(=O)C2CC2)C2CC2)cc1)C1CC1 ZINC000072283668 176359686 /nfs/dbraw/zinc/35/96/86/176359686.db2.gz OOMCWDNQSVICCJ-UHFFFAOYSA-N 0 0 298.386 2.936 50 0 CFAARN COCCCCS(=O)(=O)[C@@H]1CCCc2ccccc21 ZINC000072289654 176361348 /nfs/dbraw/zinc/36/13/48/176361348.db2.gz JEDHHWCDLHETJY-OAHLLOKOSA-N 0 0 282.405 2.905 50 0 CFAARN Oc1ccc(CNc2nccc(C(F)(F)F)n2)cc1F ZINC000072291276 176362136 /nfs/dbraw/zinc/36/21/36/176362136.db2.gz TWRNJVTXJBICRF-UHFFFAOYSA-N 0 0 287.216 2.952 50 0 CFAARN C[C@H](C(=O)N1CCC[C@H](c2cc[nH]n2)C1)c1cccs1 ZINC000072291633 176362184 /nfs/dbraw/zinc/36/21/84/176362184.db2.gz YGZJAEUDROLMKS-RYUDHWBXSA-N 0 0 289.404 2.981 50 0 CFAARN CC(C)c1nc([C@@H]2CCCN(C(=O)C3CC=CC3)C2)no1 ZINC000072293328 176362703 /nfs/dbraw/zinc/36/27/03/176362703.db2.gz KANUOPPHYINMMN-CYBMUJFWSA-N 0 0 289.379 2.865 50 0 CFAARN Cc1cc(C)c(C(=O)Nc2cc(F)ccc2C)c(=O)[nH]1 ZINC000072299933 176364533 /nfs/dbraw/zinc/36/45/33/176364533.db2.gz FEOSJNCESYDQBH-UHFFFAOYSA-N 0 0 274.295 2.692 50 0 CFAARN O=C(NCc1ccccc1)c1ccc(Br)nc1 ZINC000072305096 176365968 /nfs/dbraw/zinc/36/59/68/176365968.db2.gz SSPNNIGYBRBJOS-UHFFFAOYSA-N 0 0 291.148 2.774 50 0 CFAARN CCc1cccc(NC(=O)COC(=O)c2ccc(C)nc2)c1 ZINC000072330230 176370297 /nfs/dbraw/zinc/37/02/97/176370297.db2.gz XRENRYBQWHZLPP-UHFFFAOYSA-N 0 0 298.342 2.748 50 0 CFAARN CC(=O)N1CCC[C@H](Cc2cccc(Br)n2)C1 ZINC000072343876 176372494 /nfs/dbraw/zinc/37/24/94/176372494.db2.gz LYTLKCLIATXTIW-LLVKDONJSA-N 0 0 297.196 2.645 50 0 CFAARN Cn1c(C(=O)NCc2cccnc2)cc2cc(F)ccc21 ZINC000072405716 176397683 /nfs/dbraw/zinc/39/76/83/176397683.db2.gz IKRDMWSACUINRP-UHFFFAOYSA-N 0 0 283.306 2.642 50 0 CFAARN O=C([O-])c1ccc(C[C@@H]2CC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072408050 176397836 /nfs/dbraw/zinc/39/78/36/176397836.db2.gz RCTMFOJRZNYAHQ-INIZCTEOSA-N 0 0 296.370 2.844 50 0 CFAARN CCc1cc(NCC(F)F)n2nc(C)c(C)c2n1 ZINC000072408558 176398384 /nfs/dbraw/zinc/39/83/84/176398384.db2.gz HSBLPFADJOLSOE-UHFFFAOYSA-N 0 0 254.284 2.586 50 0 CFAARN Cc1cc(CNc2cc(C(C)C)nc3ccnn32)nn1C ZINC000072412466 176398930 /nfs/dbraw/zinc/39/89/30/176398930.db2.gz MJLDQJATRLPRJG-UHFFFAOYSA-N 0 0 284.367 2.507 50 0 CFAARN COc1cn(S(=O)(=O)c2ccccc2)c2ccccc12 ZINC000072482141 176408412 /nfs/dbraw/zinc/40/84/12/176408412.db2.gz VBNRTPWONAGEFI-UHFFFAOYSA-N 0 0 287.340 2.887 50 0 CFAARN CCc1ncc(CN(C)C(=O)CC2(O)CCCCC2)s1 ZINC000073498512 176474203 /nfs/dbraw/zinc/47/42/03/176474203.db2.gz VZONPEKAVWCJCT-UHFFFAOYSA-N 0 0 296.436 2.749 50 0 CFAARN CC(C)Cc1noc(Cn2cnc3cc(F)c(F)cc32)n1 ZINC000073528971 176475386 /nfs/dbraw/zinc/47/53/86/176475386.db2.gz NTNWQULINZHBHP-UHFFFAOYSA-N 0 0 292.289 2.944 50 0 CFAARN CCCCNS(=O)(=O)c1cc(C)c(OCC)cc1C ZINC000074921714 176635635 /nfs/dbraw/zinc/63/56/35/176635635.db2.gz IWUYDVRYGKSXBF-UHFFFAOYSA-N 0 0 285.409 2.781 50 0 CFAARN CC(C)n1cc([C@@H](O)C(Cl)(Cl)Cl)cn1 ZINC000074934407 176637057 /nfs/dbraw/zinc/63/70/57/176637057.db2.gz LVFLFFUCGFWOKY-SSDOTTSWSA-N 0 0 257.548 2.868 50 0 CFAARN O=C1C[C@@H](CNc2cncc(Cl)n2)c2ccccc2N1 ZINC000075094618 176659184 /nfs/dbraw/zinc/65/91/84/176659184.db2.gz PDPBXALZRZMPRV-VIFPVBQESA-N 0 0 288.738 2.668 50 0 CFAARN Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)c(=O)[nH]1 ZINC000075119008 176661584 /nfs/dbraw/zinc/66/15/84/176661584.db2.gz PTFZZBWGNCXJIS-SNVBAGLBSA-N 0 0 276.361 2.578 50 0 CFAARN CCCC(O)(CCC)CNC(=O)Nc1cccnc1 ZINC000075143638 176665775 /nfs/dbraw/zinc/66/57/75/176665775.db2.gz OAYQVLGDPLWBPT-UHFFFAOYSA-N 0 0 265.357 2.534 50 0 CFAARN O=C(NCc1cnn2ccccc12)c1c[nH]c2ccccc12 ZINC000075162808 176669648 /nfs/dbraw/zinc/66/96/48/176669648.db2.gz MNNCRNBNUDPIBA-UHFFFAOYSA-N 0 0 290.326 2.746 50 0 CFAARN CC[C@H](O)CN(Cc1cccnc1)c1ccccc1 ZINC000076040646 176883363 /nfs/dbraw/zinc/88/33/63/176883363.db2.gz PLTJYGGFNBMMNP-INIZCTEOSA-N 0 0 256.349 2.859 50 0 CFAARN CCO[C@H]1CCCN(Cc2nc3c(cccc3F)[nH]2)C1 ZINC000076399825 177016400 /nfs/dbraw/zinc/01/64/00/177016400.db2.gz PNSNLWMOGVSWOS-NSHDSACASA-N 0 0 277.343 2.703 50 0 CFAARN O=C(OCc1ccccc1)N1CCCC2(CC(=O)C2)C1 ZINC000076914482 177132749 /nfs/dbraw/zinc/13/27/49/177132749.db2.gz TYPXLONFNRCARO-UHFFFAOYSA-N 0 0 273.332 2.768 50 0 CFAARN Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)on1 ZINC000076918593 177132862 /nfs/dbraw/zinc/13/28/62/177132862.db2.gz XQAGAPASLZSUBL-NWDGAFQWSA-N 0 0 276.723 2.922 50 0 CFAARN O=C(NCC[C@@H](O)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000077107699 177224770 /nfs/dbraw/zinc/22/47/70/177224770.db2.gz JRLQLIUYAFIPDD-GFCCVEGCSA-N 0 0 287.281 2.596 50 0 CFAARN CC(C)(C)[C@H](O)CCNC(=O)CSCc1ccccc1 ZINC000077109245 177224931 /nfs/dbraw/zinc/22/49/31/177224931.db2.gz XCOPKYZQFWMQRR-CQSZACIVSA-N 0 0 295.448 2.833 50 0 CFAARN O=C(Cc1ccc(F)cc1)NCC[C@H](O)c1cccs1 ZINC000077113411 177225941 /nfs/dbraw/zinc/22/59/41/177225941.db2.gz QAQHHMDVFXNXHX-ZDUSSCGKSA-N 0 0 293.363 2.670 50 0 CFAARN Cc1cc(CCNC(=O)c2cccc(C(F)(F)F)c2)on1 ZINC000077122497 177226289 /nfs/dbraw/zinc/22/62/89/177226289.db2.gz RVRNQNVSRYDUAX-UHFFFAOYSA-N 0 0 298.264 2.974 50 0 CFAARN Cc1cc(CCNC(=O)c2nc3ccccc3s2)on1 ZINC000077122793 177226736 /nfs/dbraw/zinc/22/67/36/177226736.db2.gz USTQZTJOOSGVJA-UHFFFAOYSA-N 0 0 287.344 2.565 50 0 CFAARN CC(=O)c1c(F)cccc1NCCCOC[C@H]1CCOC1 ZINC000077229899 177236921 /nfs/dbraw/zinc/23/69/21/177236921.db2.gz XDEMRUHGETWICR-CYBMUJFWSA-N 0 0 295.354 2.883 50 0 CFAARN CSC[C@H](CCO)Nc1nc2ccccc2s1 ZINC000077236820 177237655 /nfs/dbraw/zinc/23/76/55/177237655.db2.gz NHNXKOGYNHEBRR-VIFPVBQESA-N 0 0 268.407 2.822 50 0 CFAARN CSCC[C@H](C)NC(=O)NCc1sccc1C ZINC000077349937 177255178 /nfs/dbraw/zinc/25/51/78/177255178.db2.gz XSWPKNORHNLPKQ-JTQLQIEISA-N 0 0 272.439 2.997 50 0 CFAARN O=C(C1CCC1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000077472595 177272591 /nfs/dbraw/zinc/27/25/91/177272591.db2.gz PSVWTELHSCBSAW-UHFFFAOYSA-N 0 0 276.355 2.665 50 0 CFAARN O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077487956 177274325 /nfs/dbraw/zinc/27/43/25/177274325.db2.gz YPFDKRDULFOQBT-MRXNPFEDSA-N 0 0 295.386 2.918 50 0 CFAARN COc1ccccc1OCCCc1ccccc1C(N)=O ZINC000077504620 177275872 /nfs/dbraw/zinc/27/58/72/177275872.db2.gz GKNLLGDJXIFSKT-UHFFFAOYSA-N 0 0 285.343 2.806 50 0 CFAARN Cc1ccccc1[C@@H]1CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000077505324 177276343 /nfs/dbraw/zinc/27/63/43/177276343.db2.gz NHYGEGHVTUUEEO-OAHLLOKOSA-N 0 0 295.386 2.992 50 0 CFAARN Cc1ncc(C(=O)N2CCC(c3ccncc3)CC2)s1 ZINC000077521044 177277693 /nfs/dbraw/zinc/27/76/93/177277693.db2.gz GUMGTTGCHLHBFG-UHFFFAOYSA-N 0 0 287.388 2.866 50 0 CFAARN CC[C@H]1CCC[C@@H](NC(=O)NCCCCn2ccnc2)C1 ZINC000077550561 177279998 /nfs/dbraw/zinc/27/99/98/177279998.db2.gz CVYRMSANPGXAKH-LSDHHAIUSA-N 0 0 292.427 2.931 50 0 CFAARN Cc1ncsc1CNC(=O)N1CC[C@@H](C)C[C@H]1C 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177342961 /nfs/dbraw/zinc/34/29/61/177342961.db2.gz HSPCQENOOCLOEO-CHWSQXEVSA-N 0 0 296.411 2.644 50 0 CFAARN Cc1noc(C)c1CN(C)c1nccc(C(F)(F)F)n1 ZINC000078484464 177345544 /nfs/dbraw/zinc/34/55/44/177345544.db2.gz DURPAARAYMUCRM-UHFFFAOYSA-N 0 0 286.257 2.737 50 0 CFAARN COCc1ccc(C(=O)N(CC(F)F)C2CC2)cc1 ZINC000078610872 177359842 /nfs/dbraw/zinc/35/98/42/177359842.db2.gz BVSVIETZHLZQNM-UHFFFAOYSA-N 0 0 269.291 2.703 50 0 CFAARN CCC(CC)CNC(=O)NC[C@@H](O)C(CC)CC ZINC000078645554 177365712 /nfs/dbraw/zinc/36/57/12/177365712.db2.gz UVTOJLPAJLZQBL-CYBMUJFWSA-N 0 0 258.406 2.519 50 0 CFAARN Cc1ccc(NCc2c[nH]nc2-c2cccnc2)nc1 ZINC000078648325 177366038 /nfs/dbraw/zinc/36/60/38/177366038.db2.gz SIHLKXBOGHBGIV-UHFFFAOYSA-N 0 0 265.320 2.787 50 0 CFAARN COc1cccc([C@H](CO)Nc2ccc(Cl)cn2)c1 ZINC000078668021 177368162 /nfs/dbraw/zinc/36/81/62/177368162.db2.gz XFSRRCPSESVFHA-ZDUSSCGKSA-N 0 0 278.739 2.889 50 0 CFAARN OC[C@H](Cc1c[nH]c2ccccc12)Nc1ccccn1 ZINC000078666923 177368552 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RJJVDGNFNIOLSZ-IUODEOHRSA-N 0 0 261.365 2.995 50 0 CFAARN O=Cc1cc(Cl)c(=O)n(Cc2ccc(F)cc2)c1 ZINC000014007888 326842548 /nfs/dbraw/zinc/84/25/48/326842548.db2.gz FDGPZSQVOGDHPK-UHFFFAOYSA-N 0 0 265.671 2.502 50 0 CFAARN CCOc1ccccc1[C@H]1SCC(=O)N1C1CC1 ZINC000017197973 326852428 /nfs/dbraw/zinc/85/24/28/326852428.db2.gz KDRUBNWIMRHPOX-CQSZACIVSA-N 0 0 263.362 2.822 50 0 CFAARN OC1(CNc2nc(C(F)(F)F)nc3ccccc32)CCC1 ZINC000069619923 327100162 /nfs/dbraw/zinc/10/01/62/327100162.db2.gz OTGKOLCJOPQJEG-UHFFFAOYSA-N 0 0 297.280 2.976 50 0 CFAARN COC[C@@H]1CCN(c2cc(C(C)C)nc3cc(C)nn32)C1 ZINC000072439913 327110889 /nfs/dbraw/zinc/11/08/89/327110889.db2.gz JNLRHBNLWDCZHU-CYBMUJFWSA-N 0 0 288.395 2.634 50 0 CFAARN CCCC[C@@H]1C(=O)N(C)CCN1Cc1ccsc1 ZINC000077421469 327132220 /nfs/dbraw/zinc/13/22/20/327132220.db2.gz QAAMSIWFXCGUGN-CYBMUJFWSA-N 0 0 266.410 2.581 50 0 CFAARN Cc1cccc2sc(NC(=O)c3ccno3)nc21 ZINC000010253800 329093466 /nfs/dbraw/zinc/09/34/66/329093466.db2.gz KRUGBIRZNWNCOO-UHFFFAOYSA-N 0 0 259.290 2.845 50 0 CFAARN Cc1nc(Cn2cc(NC(=O)C(C)(C)C)cn2)cs1 ZINC000096435629 329526038 /nfs/dbraw/zinc/52/60/38/329526038.db2.gz GADJDEAKSWPDFW-UHFFFAOYSA-N 0 0 278.381 2.681 50 0 CFAARN COc1ccc(COC(=O)[C@H]2C[C@H]2c2ccco2)cn1 ZINC000096442951 533714254 /nfs/dbraw/zinc/71/42/54/533714254.db2.gz PTIPBNWURDFLGD-NEPJUHHUSA-N 0 0 273.288 2.530 50 0 CFAARN CCOC(=O)CC(=O)CSc1ccc2ccccc2n1 ZINC000383532410 336112685 /nfs/dbraw/zinc/11/26/85/336112685.db2.gz BHDLUAMANPITII-UHFFFAOYSA-N 0 0 289.356 2.849 50 0 CFAARN CCc1cnc(C)nc1NC[C@H]1CC[C@H](CO)CC1 ZINC000828784501 782108763 /nfs/dbraw/zinc/10/87/63/782108763.db2.gz DYZIIFOELVQGGT-JOCQHMNTSA-N 0 0 263.385 2.558 50 0 CFAARN C[C@@H](O)CNc1nc2ccccc2n1Cc1ccccc1 ZINC000000513253 533718354 /nfs/dbraw/zinc/71/83/54/533718354.db2.gz CYZMULQKFJPZBC-CYBMUJFWSA-N 0 0 281.359 2.877 50 0 CFAARN CCCn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O ZINC000004479091 500678072 /nfs/dbraw/zinc/67/80/72/500678072.db2.gz KWDQGAPSMILCPS-UHFFFAOYSA-N 0 0 288.738 2.646 50 0 CFAARN CO[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C1CCCC1 ZINC000252481794 500835213 /nfs/dbraw/zinc/83/52/13/500835213.db2.gz CRZVZBRYDXYWLU-STQMWFEESA-N 0 0 253.386 2.887 50 0 CFAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccncc2)cn1 ZINC000044950950 500852236 /nfs/dbraw/zinc/85/22/36/500852236.db2.gz KJARQYZUKGSTKD-CQSZACIVSA-N 0 0 298.346 2.854 50 0 CFAARN Cc1nn(C)c2c1nc(C(C)C)nc2NCc1cccnc1 ZINC000032508891 501009053 /nfs/dbraw/zinc/00/90/53/501009053.db2.gz FFXZMCJJBOHTJT-UHFFFAOYSA-N 0 0 296.378 2.802 50 0 CFAARN CSC[C@@H]1CCN(C(=O)c2cccnc2NC(C)C)C1 ZINC000096437306 533750962 /nfs/dbraw/zinc/75/09/62/533750962.db2.gz FDEDDOCQJLDFQO-GFCCVEGCSA-N 0 0 293.436 2.727 50 0 CFAARN CS[C@@H]1CCC[C@H]1N(C)C(=O)c1ccc(F)nc1 ZINC000096443242 533960278 /nfs/dbraw/zinc/96/02/78/533960278.db2.gz SHUAJEVJEBGEJW-GHMZBOCLSA-N 0 0 268.357 2.577 50 0 CFAARN C[C@@H]1C[C@H](Nc2ccc(OC(C)(C)C)cc2)C(=O)O1 ZINC000096437167 533968735 /nfs/dbraw/zinc/96/87/35/533968735.db2.gz LFFNKSPYXPTOMD-MFKMUULPSA-N 0 0 263.337 2.980 50 0 CFAARN COc1ccccc1C(=O)N[C@H](C)c1ccncc1 ZINC000004750035 533975143 /nfs/dbraw/zinc/97/51/43/533975143.db2.gz BMOHNHZIUJFIEN-LLVKDONJSA-N 0 0 256.305 2.581 50 0 CFAARN Cc1ccc(CNC(=O)N2CCC[C@H]3CCC[C@@H]32)cn1 ZINC000098014396 534000566 /nfs/dbraw/zinc/00/05/66/534000566.db2.gz OLZFYTDDEOQFSM-CABCVRRESA-N 0 0 273.380 2.864 50 0 CFAARN Cc1ccc(CNC(=O)N2CC[C@H](C)C[C@H]2C)cn1 ZINC000098013011 534003930 /nfs/dbraw/zinc/00/39/30/534003930.db2.gz JYWOVKICTPYAMX-WCQYABFASA-N 0 0 261.369 2.720 50 0 CFAARN COc1ccc(NC(=O)CSC2CCOCC2)cc1 ZINC000131339203 534087042 /nfs/dbraw/zinc/08/70/42/534087042.db2.gz PJPARJRGBKUVDU-UHFFFAOYSA-N 0 0 281.377 2.546 50 0 CFAARN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CC(F)(F)F ZINC000098009590 534113523 /nfs/dbraw/zinc/11/35/23/534113523.db2.gz CWSSHRFEIGCTRR-QPUJVOFHSA-N 0 0 257.255 2.989 50 0 CFAARN COc1ccccc1OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000000471097 534193373 /nfs/dbraw/zinc/19/33/73/534193373.db2.gz IETUYBIQVIPXIT-CHWSQXEVSA-N 0 0 277.364 2.864 50 0 CFAARN Cc1cccc2nc(C(=O)N(C)c3ccccc3)cn21 ZINC000029484586 518190800 /nfs/dbraw/zinc/19/08/00/518190800.db2.gz CDOOGHMBPCWFQH-UHFFFAOYSA-N 0 0 265.316 2.919 50 0 CFAARN CC(C)(C)c1nnc(SCC(=O)NC2CCCCC2)[nH]1 ZINC000012255077 519087323 /nfs/dbraw/zinc/08/73/23/519087323.db2.gz QSCUOVWWZIARQY-UHFFFAOYSA-N 0 0 296.440 2.643 50 0 CFAARN Cc1noc(OCc2ncc(-c3cccc(F)c3)o2)n1 ZINC000096447786 534435902 /nfs/dbraw/zinc/43/59/02/534435902.db2.gz BJQXQKGEYSQUGT-UHFFFAOYSA-N 0 0 275.239 2.751 50 0 CFAARN Cc1nc(SCCOc2ccccc2)[nH]c(=O)c1C ZINC000002812281 534531062 /nfs/dbraw/zinc/53/10/62/534531062.db2.gz ZMXGSVYINBVVGR-UHFFFAOYSA-N 0 0 276.361 2.558 50 0 CFAARN CCOCCC(=O)N1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095353133 521673441 /nfs/dbraw/zinc/67/34/41/521673441.db2.gz LUEJAAGHENKPMN-CQSZACIVSA-N 0 0 293.411 2.597 50 0 CFAARN COCC(=O)Nc1ccc(NCCc2ccccc2)cc1 ZINC000037057823 522785958 /nfs/dbraw/zinc/78/59/58/522785958.db2.gz WZFICVMKANPTHW-UHFFFAOYSA-N 0 0 284.359 2.926 50 0 CFAARN CCn1cc(NC(=O)N(C)C2Cc3ccccc3C2)cn1 ZINC000055086503 523415602 /nfs/dbraw/zinc/41/56/02/523415602.db2.gz QRKDNGVJHBLVNX-UHFFFAOYSA-N 0 0 284.363 2.534 50 0 CFAARN COc1ccc(C(=O)CSc2nnc(C)s2)cc1F ZINC000037486580 523591591 /nfs/dbraw/zinc/59/15/91/523591591.db2.gz GRIQMYZGSZBLAZ-UHFFFAOYSA-N 0 0 298.364 2.969 50 0 CFAARN CCc1cc(C(=O)NC[C@H]2CCC[C@@H](CO)C2)oc1CC ZINC000360640485 523767741 /nfs/dbraw/zinc/76/77/41/523767741.db2.gz PNUOBUCEARNFBK-QWHCGFSZSA-N 0 0 293.407 2.933 50 0 CFAARN CN(C)C(=O)c1cncc(NCCCC2CCCC2)n1 ZINC000341588762 524031969 /nfs/dbraw/zinc/03/19/69/524031969.db2.gz FHNZKYFNMSJIEW-UHFFFAOYSA-N 0 0 276.384 2.561 50 0 CFAARN Cc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)n(C)n1 ZINC000068042006 524160046 /nfs/dbraw/zinc/16/00/46/524160046.db2.gz WTDUCQZCRHGQSM-UHFFFAOYSA-N 0 0 287.363 2.984 50 0 CFAARN C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000252216823 524335401 /nfs/dbraw/zinc/33/54/01/524335401.db2.gz XXCRZZKYNGSUNJ-AGIUHOORSA-N 0 0 296.411 2.548 50 0 CFAARN Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(O)c2)c1 ZINC000003511706 524421422 /nfs/dbraw/zinc/42/14/22/524421422.db2.gz RHLXZMWCNXFYGJ-UHFFFAOYSA-N 0 0 299.326 2.805 50 0 CFAARN Cc1ccc(C[NH2+]C2CCC(C(=O)[O-])CC2)cc1F ZINC000086735426 524570564 /nfs/dbraw/zinc/57/05/64/524570564.db2.gz BPSCMTDZXWVNSU-UHFFFAOYSA-N 0 0 265.328 2.867 50 0 CFAARN COc1ccccc1OCCCC(=O)NCc1ccco1 ZINC000001892988 524669619 /nfs/dbraw/zinc/66/96/19/524669619.db2.gz RJDJDMVGSTZFBH-UHFFFAOYSA-N 0 0 289.331 2.764 50 0 CFAARN Cc1cccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000068038478 524805710 /nfs/dbraw/zinc/80/57/10/524805710.db2.gz PVIGKDCNZDGNGN-UHFFFAOYSA-N 0 0 290.388 2.862 50 0 CFAARN C[C@@H]1CN(C[C@H]2CCCCO2)c2ccccc2NC1=O ZINC000245496372 524978984 /nfs/dbraw/zinc/97/89/84/524978984.db2.gz RGWDBKNAXAKDMH-CHWSQXEVSA-N 0 0 274.364 2.650 50 0 CFAARN C[C@H](NC(=O)N1CC(C2CCC2)C1)c1nccs1 ZINC000334831408 525011323 /nfs/dbraw/zinc/01/13/23/525011323.db2.gz YFWFAHDFOKPPKN-VIFPVBQESA-N 0 0 265.382 2.646 50 0 CFAARN C[C@@H]1CN(Cc2ncc(-c3ccccc3)o2)CCO1 ZINC000054172053 525033101 /nfs/dbraw/zinc/03/31/01/525033101.db2.gz NIJIFPNRMAJKAT-GFCCVEGCSA-N 0 0 258.321 2.562 50 0 CFAARN O=C(CCC(=O)c1ccccc1)O[C@@H]1CCSC1 ZINC000096441924 534828447 /nfs/dbraw/zinc/82/84/47/534828447.db2.gz QINASONVBKRMOU-GFCCVEGCSA-N 0 0 264.346 2.698 50 0 CFAARN Cc1ccccc1OCC(=O)OCc1ncc(Cl)n1C ZINC000032860239 525280577 /nfs/dbraw/zinc/28/05/77/525280577.db2.gz PVACOXDUQUALSG-UHFFFAOYSA-N 0 0 294.738 2.504 50 0 CFAARN C[S@](=O)c1ccc(NC(=O)[C@H]2C[C@H]2C2CC2)cc1F ZINC000245338667 525396144 /nfs/dbraw/zinc/39/61/44/525396144.db2.gz NRYIFHLLQPIUDR-ADWYPQAOSA-N 0 0 281.352 2.548 50 0 CFAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nccc(=O)[nH]1 ZINC000012312235 525432815 /nfs/dbraw/zinc/43/28/15/525432815.db2.gz PAERCFKHGRKQSD-UHFFFAOYSA-N 0 0 299.355 2.535 50 0 CFAARN C[C@@H]1C[C@H]1[C@@H](NS(C)(=O)=O)c1ccc(Cl)cc1 ZINC000246136024 525501817 /nfs/dbraw/zinc/50/18/17/525501817.db2.gz JYJHSLUYZXXUPP-FXAINCCUSA-N 0 0 273.785 2.586 50 0 CFAARN Cc1cc(C(=O)NCCSCc2ccccc2)no1 ZINC000048374796 526267385 /nfs/dbraw/zinc/26/73/85/526267385.db2.gz WNDDWJCKFXAHIV-UHFFFAOYSA-N 0 0 276.361 2.646 50 0 CFAARN Cc1nn(Cc2ccccc2)c(C)c1CNc1ncccn1 ZINC000052720130 526295338 /nfs/dbraw/zinc/29/53/38/526295338.db2.gz BKSNVQLCDDOTIT-UHFFFAOYSA-N 0 0 293.374 2.950 50 0 CFAARN O[C@H](Cc1ccc2ccccc2c1)Cn1cccn1 ZINC000360686686 526296847 /nfs/dbraw/zinc/29/68/47/526296847.db2.gz ZHJYVWAPHVKXMJ-MRXNPFEDSA-N 0 0 252.317 2.640 50 0 CFAARN CC(C)(C)NC(=O)/C=C\c1ccc(Br)o1 ZINC000096571292 526299976 /nfs/dbraw/zinc/29/99/76/526299976.db2.gz OXAKLYYLYCMNDD-ALCCZGGFSA-N 0 0 272.142 2.970 50 0 CFAARN CC(=O)N1CCC(C(=O)Oc2cc(Cl)ccc2C)CC1 ZINC000096442837 526527647 /nfs/dbraw/zinc/52/76/47/526527647.db2.gz SZKDAFQGKPSXGM-UHFFFAOYSA-N 0 0 295.766 2.812 50 0 CFAARN CC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000096500890 526639053 /nfs/dbraw/zinc/63/90/53/526639053.db2.gz NIPOKQDDZRATDQ-GFCCVEGCSA-N 0 0 273.254 2.625 50 0 CFAARN CC(=O)NC(C)(C)Cc1cccc(Br)c1 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ZINC000057188030 373581709 /nfs/dbraw/zinc/58/17/09/373581709.db2.gz MJRGGTZFINQMRF-GJZGRUSLSA-N 0 0 292.354 2.755 50 0 CFAARN CCn1nc(C)c2ncnc(NC3CCCCC3)c21 ZINC000057280050 373584264 /nfs/dbraw/zinc/58/42/64/373584264.db2.gz MQQQGKBMXNHRAF-UHFFFAOYSA-N 0 0 259.357 2.899 50 0 CFAARN CCCc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1)C2 ZINC000057218679 373584672 /nfs/dbraw/zinc/58/46/72/373584672.db2.gz QOFQVVRZZDJYEM-UHFFFAOYSA-N 0 0 283.375 2.693 50 0 CFAARN CCn1nc(C)c2ncnc(NCc3ccc(C)o3)c21 ZINC000057312450 373588360 /nfs/dbraw/zinc/58/83/60/373588360.db2.gz JPHHREMTSUUGAI-UHFFFAOYSA-N 0 0 271.324 2.668 50 0 CFAARN Cc1nn(C)c2c1nc(C1CC1)nc2NC1CCCC1 ZINC000057356000 373590087 /nfs/dbraw/zinc/59/00/87/373590087.db2.gz ZGUDWXHGBKDVCS-UHFFFAOYSA-N 0 0 271.368 2.904 50 0 CFAARN O=C([O-])c1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000057353451 373590296 /nfs/dbraw/zinc/59/02/96/373590296.db2.gz JIOFNJSAZYOFRM-UHFFFAOYSA-N 0 0 295.342 2.593 50 0 CFAARN CC(=O)Nc1ccc(O)c(C(=O)N2CCCCCCC2)c1 ZINC000055110374 373541193 /nfs/dbraw/zinc/54/11/93/373541193.db2.gz UZJFAKAUXPKWRD-UHFFFAOYSA-N 0 0 290.363 2.757 50 0 CFAARN COCCN(Cc1sccc1C)C(=O)c1ccc[nH]1 ZINC000055119485 373541452 /nfs/dbraw/zinc/54/14/52/373541452.db2.gz YNHXYWZCJYLMOY-UHFFFAOYSA-N 0 0 278.377 2.673 50 0 CFAARN CCOC[C@@H](O)CNc1cc(C)c2cc(C)ccc2n1 ZINC000055108961 373541482 /nfs/dbraw/zinc/54/14/82/373541482.db2.gz YKKOSVISHTXQCK-ZDUSSCGKSA-N 0 0 274.364 2.661 50 0 CFAARN CCN(Cc1noc(CC(C)C)n1)C(=O)[C@@H]1CC=CCC1 ZINC000055107458 373542425 /nfs/dbraw/zinc/54/24/25/373542425.db2.gz MZTZGUQMEQBKNN-CYBMUJFWSA-N 0 0 291.395 2.973 50 0 CFAARN CCCCN(Cc1ccccc1F)C(=O)Cc1cnc[nH]1 ZINC000055227383 373546550 /nfs/dbraw/zinc/54/65/50/373546550.db2.gz NJYWYZLZLNWSEK-UHFFFAOYSA-N 0 0 289.354 2.920 50 0 CFAARN CCOC(=O)N1CCN([C@H](C)Cc2ccc(F)cc2)CC1 ZINC000055291818 373547106 /nfs/dbraw/zinc/54/71/06/373547106.db2.gz PYZLWGGDVXNDRX-CYBMUJFWSA-N 0 0 294.370 2.531 50 0 CFAARN CCOC(=O)[C@@H]1CCCCN1Cc1c(F)cccc1F ZINC000055291821 373547757 /nfs/dbraw/zinc/54/77/57/373547757.db2.gz IRXMFPKQOKPSBD-AWEZNQCLSA-N 0 0 283.318 2.882 50 0 CFAARN COc1ccccc1[C@H](C)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC000057488204 373594731 /nfs/dbraw/zinc/59/47/31/373594731.db2.gz OOEJSGUKTWKFRS-SJCJKPOMSA-N 0 0 297.354 2.876 50 0 CFAARN O=C(c1ncc[nH]1)N(Cc1nccs1)Cc1ccccc1 ZINC000055360609 373550242 /nfs/dbraw/zinc/55/02/42/373550242.db2.gz AILQKAUKAJHSMV-UHFFFAOYSA-N 0 0 298.371 2.709 50 0 CFAARN CCN(CC)C(=O)Cc1csc(-c2ccco2)n1 ZINC000055951789 373559826 /nfs/dbraw/zinc/55/98/26/373559826.db2.gz DHBOKSNLWQZALF-UHFFFAOYSA-N 0 0 264.350 2.814 50 0 CFAARN CCCCCC(=O)Nc1cc(C(=O)N(C)C)ccc1OC ZINC000055840953 373560727 /nfs/dbraw/zinc/56/07/27/373560727.db2.gz KAPHAQHTHSPCMU-UHFFFAOYSA-N 0 0 292.379 2.916 50 0 CFAARN C[C@H](SCc1coc(-c2ccc(F)cc2)n1)C(N)=O ZINC000056244121 373562642 /nfs/dbraw/zinc/56/26/42/373562642.db2.gz DVSYEVFBQNGNAE-QMMMGPOBSA-N 0 0 280.324 2.588 50 0 CFAARN C[C@@H](c1cc(F)ccc1F)N1CCC(CC(N)=O)CC1 ZINC000056494248 373564893 /nfs/dbraw/zinc/56/48/93/373564893.db2.gz BCMUPBHNXLRYDK-JTQLQIEISA-N 0 0 282.334 2.613 50 0 CFAARN CCOC(=O)/C=C\c1ccc(NCc2nc(C)no2)cc1 ZINC000056706628 373566213 /nfs/dbraw/zinc/56/62/13/373566213.db2.gz NYPJAWRUIHDDCA-TWGQIWQCSA-N 0 0 287.319 2.566 50 0 CFAARN Cc1ccccc1C(=O)N1CCN(c2ccccc2O)CC1 ZINC000057524761 373595942 /nfs/dbraw/zinc/59/59/42/373595942.db2.gz ITZPIFSROXYTRT-UHFFFAOYSA-N 0 0 296.370 2.663 50 0 CFAARN COC[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000056922092 373576370 /nfs/dbraw/zinc/57/63/70/373576370.db2.gz KIEUPEAYWXQWFT-CYBMUJFWSA-N 0 0 281.783 2.768 50 0 CFAARN O=c1[nH]c(NC2CCCC2)nc2nccc(-c3ccco3)c12 ZINC000057531116 373596285 /nfs/dbraw/zinc/59/62/85/373596285.db2.gz WBIUOMVNIWMKLO-UHFFFAOYSA-N 0 0 296.330 2.933 50 0 CFAARN COc1cc(CNC(=O)c2cccc(C)c2C)ccn1 ZINC000057535997 373596508 /nfs/dbraw/zinc/59/65/08/373596508.db2.gz FHGZLQKKVZCZIJ-UHFFFAOYSA-N 0 0 270.332 2.637 50 0 CFAARN Cc1ccc(-n2nnnc2SCCc2ccncc2)cc1 ZINC000058008020 373623360 /nfs/dbraw/zinc/62/33/60/373623360.db2.gz HEEUOVGKODRWLK-UHFFFAOYSA-N 0 0 297.387 2.701 50 0 CFAARN CS(=O)(=O)c1cccc(OCc2ccccc2)c1 ZINC000058151928 373627117 /nfs/dbraw/zinc/62/71/17/373627117.db2.gz JYMZSYYRQAWTSF-UHFFFAOYSA-N 0 0 262.330 2.669 50 0 CFAARN Cc1ccc([C@H](NC(=O)c2cnn(C)c2)C2CC2)cc1 ZINC000058136763 373627520 /nfs/dbraw/zinc/62/75/20/373627520.db2.gz HVLIWQMNIOVMEM-HNNXBMFYSA-N 0 0 269.348 2.610 50 0 CFAARN COc1ccc(CC(=O)NCCSC(F)(F)F)cc1 ZINC000058150249 373627587 /nfs/dbraw/zinc/62/75/87/373627587.db2.gz KFILRZNHEUDPNX-UHFFFAOYSA-N 0 0 293.310 2.607 50 0 CFAARN C[C@H]1C[C@H]1C(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000058245084 373636532 /nfs/dbraw/zinc/63/65/32/373636532.db2.gz MOWOKPFJESJTRO-NWDGAFQWSA-N 0 0 287.363 2.909 50 0 CFAARN COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000058264773 373638622 /nfs/dbraw/zinc/63/86/22/373638622.db2.gz VTMKSKVTQUJYJZ-UHFFFAOYSA-N 0 0 295.338 2.985 50 0 CFAARN C[C@H](C(=O)N1CCc2ccc(Cl)cc21)n1ccnc1 ZINC000058265688 373639443 /nfs/dbraw/zinc/63/94/43/373639443.db2.gz FCQRIAFSPATTFL-SNVBAGLBSA-N 0 0 275.739 2.687 50 0 CFAARN CCCCn1nccc1NC(=O)c1cccc(OC)c1 ZINC000058289458 373640463 /nfs/dbraw/zinc/64/04/63/373640463.db2.gz KTAKTXCMPUMWMN-UHFFFAOYSA-N 0 0 273.336 2.944 50 0 CFAARN Cc1cc(C)c(CN[C@H](C(N)=O)c2ccccc2)c(C)c1 ZINC000058283126 373640486 /nfs/dbraw/zinc/64/04/86/373640486.db2.gz AGEQJIFYDHHFKR-KRWDZBQOSA-N 0 0 282.387 2.928 50 0 CFAARN O=C(/C=C/c1cccc2cccnc12)NC[C@H]1CCCO1 ZINC000058312871 373644909 /nfs/dbraw/zinc/64/49/09/373644909.db2.gz FZKSUJWRJOYULC-XVJNWHFHSA-N 0 0 282.343 2.543 50 0 CFAARN COc1ccc(C)cc1CCNC(=O)C1CCCC1 ZINC000058341062 373646755 /nfs/dbraw/zinc/64/67/55/373646755.db2.gz IBEAUANIOHHJBQ-UHFFFAOYSA-N 0 0 261.365 2.853 50 0 CFAARN CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000058329828 373646768 /nfs/dbraw/zinc/64/67/68/373646768.db2.gz QLMPMAHXBVXDPB-WDEREUQCSA-N 0 0 268.154 2.641 50 0 CFAARN Cc1cccc(C)c1-n1nnnc1COc1ccccc1F ZINC000058356468 373648083 /nfs/dbraw/zinc/64/80/83/373648083.db2.gz AENOBOITCNUDCB-UHFFFAOYSA-N 0 0 298.321 2.997 50 0 CFAARN C[C@@H]1CCC[C@H](NC(=O)CNCc2ccccc2F)[C@@H]1C ZINC000058444872 373658794 /nfs/dbraw/zinc/65/87/94/373658794.db2.gz NOHHYXJOLYVXCJ-IOASZLSFSA-N 0 0 292.398 2.856 50 0 CFAARN C[C@H]1CCCCN1C(=O)CN1CCc2sccc2C1 ZINC000058380280 373652300 /nfs/dbraw/zinc/65/23/00/373652300.db2.gz UASUVBUMSLTIKF-LBPRGKRZSA-N 0 0 278.421 2.507 50 0 CFAARN Oc1ccc(-c2csc(N3CCSCC3)n2)c(O)c1 ZINC000058381468 373652496 /nfs/dbraw/zinc/65/24/96/373652496.db2.gz NWMBIWCBEZWDLA-UHFFFAOYSA-N 0 0 294.401 2.775 50 0 CFAARN Cc1nn(C)c(N(C)C)c1CNCc1ccccc1Cl ZINC000058392621 373652658 /nfs/dbraw/zinc/65/26/58/373652658.db2.gz NTDOQBASBLCGFT-UHFFFAOYSA-N 0 0 292.814 2.738 50 0 CFAARN CCc1noc(CN(Cc2cccs2)C2CC2)n1 ZINC000058406393 373654392 /nfs/dbraw/zinc/65/43/92/373654392.db2.gz BQZQJNDXHXYAQQ-UHFFFAOYSA-N 0 0 263.366 2.858 50 0 CFAARN CC[C@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 ZINC000058393622 373654470 /nfs/dbraw/zinc/65/44/70/373654470.db2.gz RRYQWRZUMXSSKG-LBPRGKRZSA-N 0 0 297.362 2.564 50 0 CFAARN COc1ccc(Cl)cc1NCCC(=O)N1CCCC1 ZINC000058393262 373654907 /nfs/dbraw/zinc/65/49/07/373654907.db2.gz QSLDHZOPTJLJKC-UHFFFAOYSA-N 0 0 282.771 2.773 50 0 CFAARN CCN(C1CC1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000057547330 373598245 /nfs/dbraw/zinc/59/82/45/373598245.db2.gz XFYXJXFATRZBDE-UHFFFAOYSA-N 0 0 290.388 2.716 50 0 CFAARN O=C(c1ccccc1O)N1CCC(n2cccc2)CC1 ZINC000057558666 373599617 /nfs/dbraw/zinc/59/96/17/373599617.db2.gz JVMJYQBLYMFWTH-UHFFFAOYSA-N 0 0 270.332 2.671 50 0 CFAARN CN(C[C@H]1CCCO1)C(=O)Nc1cccc2cccnc21 ZINC000058424422 373656143 /nfs/dbraw/zinc/65/61/43/373656143.db2.gz XIOUDDMFHASINP-CYBMUJFWSA-N 0 0 285.347 2.878 50 0 CFAARN O[C@@H]1CCCc2c(OCc3nc(C4CC4)no3)cccc21 ZINC000058426679 373656223 /nfs/dbraw/zinc/65/62/23/373656223.db2.gz FBMQHGMRICDNKW-CYBMUJFWSA-N 0 0 286.331 2.896 50 0 CFAARN CCCOCc1nc2ccc(C(C)C)cc2c(=O)[nH]1 ZINC000057771818 373610425 /nfs/dbraw/zinc/61/04/25/373610425.db2.gz TYOQYKNCIMWVEU-UHFFFAOYSA-N 0 0 260.337 2.973 50 0 CFAARN Cc1ccccc1CCNC(=O)c1ccc2nccn2c1 ZINC000057778084 373612058 /nfs/dbraw/zinc/61/20/58/373612058.db2.gz FXLAULDGGUQZLY-UHFFFAOYSA-N 0 0 279.343 2.615 50 0 CFAARN COc1ccccc1[C@@H](C)N(C)C(=O)C1CCOCC1 ZINC000058691669 373665291 /nfs/dbraw/zinc/66/52/91/373665291.db2.gz HJQDBBQIVCOZNW-GFCCVEGCSA-N 0 0 277.364 2.641 50 0 CFAARN O=C(NCc1sccc1Br)C1CC1 ZINC000058766104 373669621 /nfs/dbraw/zinc/66/96/21/373669621.db2.gz YTLHAQFYICSOKV-UHFFFAOYSA-N 0 0 260.156 2.537 50 0 CFAARN S=c1[nH]c2ccccc2c2nc(-c3ccc[nH]3)nn21 ZINC000059216601 373679084 /nfs/dbraw/zinc/67/90/84/373679084.db2.gz ACWRHBDMPYWYDK-UHFFFAOYSA-N 0 0 267.317 2.561 50 0 CFAARN O=C1C2CCN(CC2)[C@@H]1Cc1ccc2ccccc2c1O ZINC000059946534 373686807 /nfs/dbraw/zinc/68/68/07/373686807.db2.gz BLKVWKSXSUBHHH-MRXNPFEDSA-N 0 0 281.355 2.751 50 0 CFAARN CC(C)(CNC(=O)c1ccccn1)c1ccc2c(c1)OCO2 ZINC000060214634 373688851 /nfs/dbraw/zinc/68/88/51/373688851.db2.gz QCNQUGBVLBAWNQ-UHFFFAOYSA-N 0 0 298.342 2.518 50 0 CFAARN C[C@H]1C[C@H]1C(=O)N(C1=NCCS1)c1ccccc1 ZINC000060540251 373699612 /nfs/dbraw/zinc/69/96/12/373699612.db2.gz ONZZKFYXDIQBLZ-CMPLNLGQSA-N 0 0 260.362 2.778 50 0 CFAARN CCc1cccc(N2CCC(NC(=O)C3CC3)CC2)c1 ZINC000061561892 373721653 /nfs/dbraw/zinc/72/16/53/373721653.db2.gz PUGPHRBCXFBMFW-UHFFFAOYSA-N 0 0 272.392 2.744 50 0 CFAARN COc1ccc(-c2nn3c(nc4c(c3N)CCC4)c2C)cc1 ZINC000061721886 373723315 /nfs/dbraw/zinc/72/33/15/373723315.db2.gz JPDVZDZPNRREIL-UHFFFAOYSA-N 0 0 294.358 2.784 50 0 CFAARN CCN(CC)Cc1nnc2sc(-c3ccccc3)nn12 ZINC000061722157 373725905 /nfs/dbraw/zinc/72/59/05/373725905.db2.gz DQBBBZJMSFOGIH-UHFFFAOYSA-N 0 0 287.392 2.695 50 0 CFAARN COc1ccc(Br)c(-c2nc(C)no2)c1 ZINC000061957940 373741705 /nfs/dbraw/zinc/74/17/05/373741705.db2.gz QIMOOQJGKHOELR-UHFFFAOYSA-N 0 0 269.098 2.816 50 0 CFAARN O=C(Cc1nnc(-c2cccs2)o1)NC1CCCCC1 ZINC000062007270 373742707 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291253269 /nfs/dbraw/zinc/25/32/69/291253269.db2.gz PCABDCOPPLKTQT-SSDOTTSWSA-N 0 0 289.278 2.700 50 0 CFAARN C[C@@H]1CN(C(=O)c2ccc3ccccc3c2O)CCC1=O ZINC000168832275 541012897 /nfs/dbraw/zinc/01/28/97/541012897.db2.gz POKSCDPIQMYPMU-LLVKDONJSA-N 0 0 283.327 2.597 50 0 CFAARN CC[C@@H](NC(=O)c1ncoc1C(C)C)c1nc(C)c[nH]1 ZINC000670464113 541005451 /nfs/dbraw/zinc/00/54/51/541005451.db2.gz CPLPUFFLUVIJBJ-SNVBAGLBSA-N 0 0 276.340 2.711 50 0 CFAARN CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1F ZINC000263429366 541005459 /nfs/dbraw/zinc/00/54/59/541005459.db2.gz RPEMMKVUADJHBE-ZDUSSCGKSA-N 0 0 281.327 2.664 50 0 CFAARN C[C@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccn2)O1 ZINC000180597018 189264408 /nfs/dbraw/zinc/26/44/08/189264408.db2.gz HJDLJOZJRRUJMI-IONNQARKSA-N 0 0 274.242 2.606 50 0 CFAARN Cc1ncc(C(C)C)c(N(C)CCC(C)(C)O)n1 ZINC000670466795 541006524 /nfs/dbraw/zinc/00/65/24/541006524.db2.gz RECCNGRYEXVFIZ-UHFFFAOYSA-N 0 0 251.374 2.506 50 0 CFAARN Cc1noc(C)c1CCc1ncnn1Cc1ccccc1 ZINC000670470549 541009293 /nfs/dbraw/zinc/00/92/93/541009293.db2.gz ZDTYUFUVVPMXRX-UHFFFAOYSA-N 0 0 282.347 2.716 50 0 CFAARN O=C(CCNc1ncc(Cl)cn1)Nc1ccccc1 ZINC000301488480 201025371 /nfs/dbraw/zinc/02/53/71/201025371.db2.gz JJFBPUDFMIJMEA-UHFFFAOYSA-N 0 0 276.727 2.571 50 0 CFAARN Fc1cccc(CNc2nnc([C@@H]3CCCO3)o2)c1 ZINC000181970854 189311447 /nfs/dbraw/zinc/31/14/47/189311447.db2.gz NZTLBDCLXHJNEQ-NSHDSACASA-N 0 0 263.272 2.672 50 0 CFAARN Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1 ZINC000095949270 283655068 /nfs/dbraw/zinc/65/50/68/283655068.db2.gz HAPGZIFYKJEXFT-UHFFFAOYSA-N 0 0 256.078 2.561 50 0 CFAARN Cc1cc(Cl)ccc1C(=O)N(C)C1(C(N)=O)CCCC1 ZINC000182411784 189323052 /nfs/dbraw/zinc/32/30/52/189323052.db2.gz GDTIPXLLRYUECJ-UHFFFAOYSA-N 0 0 294.782 2.519 50 0 CFAARN O=C(c1cccnc1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183653150 189365251 /nfs/dbraw/zinc/36/52/51/189365251.db2.gz JUPTWKSBUMJYHF-OAHLLOKOSA-N 0 0 286.306 2.514 50 0 CFAARN CCc1nsc(N2CCCC[C@@H](SC)C2)n1 ZINC000301758472 201180511 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/nfs/dbraw/zinc/46/73/63/189467363.db2.gz GKUOWJVEUZYKND-LBPRGKRZSA-N 0 0 273.336 2.538 50 0 CFAARN COc1ccc(OC(=O)CCc2cscn2)cc1C ZINC000076475743 541315069 /nfs/dbraw/zinc/31/50/69/541315069.db2.gz UYBHJNGJYFZICK-UHFFFAOYSA-N 0 0 277.345 2.998 50 0 CFAARN Clc1ccnc2[nH]c(I)cc21 ZINC000019046105 294118277 /nfs/dbraw/zinc/11/82/77/294118277.db2.gz PNYLOXIZBXVOPD-UHFFFAOYSA-N 0 0 278.480 2.821 50 0 in-vitro CFAARN COc1cc(NC(=O)c2scnc2C)ccc1F ZINC000189438481 189535002 /nfs/dbraw/zinc/53/50/02/189535002.db2.gz ZFFXELPTLSADGN-UHFFFAOYSA-N 0 0 266.297 2.852 50 0 CFAARN CCc1noc(C)c1NC(=O)N1CCO[C@](C)(CC)C1 ZINC000190137367 189555428 /nfs/dbraw/zinc/55/54/28/189555428.db2.gz AJSGFLXMDFZNJJ-CQSZACIVSA-N 0 0 281.356 2.578 50 0 CFAARN Cc1ncc(CSC[C@@H](O)C(F)(F)F)s1 ZINC000191127474 189583248 /nfs/dbraw/zinc/58/32/48/189583248.db2.gz OCJDHEDQCOPLIY-SSDOTTSWSA-N 0 0 257.302 2.608 50 0 CFAARN CCOc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)cc1C ZINC000077693288 541366727 /nfs/dbraw/zinc/36/67/27/541366727.db2.gz LVAYUAJYHAECPN-RYUDHWBXSA-N 0 0 280.368 2.532 50 0 CFAARN CO[C@H]1CC[C@@H](NC(=O)NCCCc2cccc(F)c2)C1 ZINC000191382640 189594086 /nfs/dbraw/zinc/59/40/86/189594086.db2.gz BMCZWSIPKJSALE-CABCVRRESA-N 0 0 294.370 2.625 50 0 CFAARN C[C@@H](O)CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000192507691 189623535 /nfs/dbraw/zinc/62/35/35/189623535.db2.gz PIWQIVKYTMBZEF-DMTCVQMQSA-N 0 0 296.798 2.717 50 0 CFAARN O=C(CCc1ccccc1)Nc1nc2c(s1)COCC2 ZINC000075166198 283796044 /nfs/dbraw/zinc/79/60/44/283796044.db2.gz IGWIWTSMZSYLAE-UHFFFAOYSA-N 0 0 288.372 2.787 50 0 CFAARN Cc1csc([C@@H](C)CNC(=O)Nc2ncccc2F)n1 ZINC000194012055 189653066 /nfs/dbraw/zinc/65/30/66/189653066.db2.gz JHIPDAHWJFXMSA-QMMMGPOBSA-N 0 0 294.355 2.911 50 0 CFAARN CCOC(=O)[C@H](CC)S[C@@H](C)c1nnc(C)s1 ZINC000194543907 189662935 /nfs/dbraw/zinc/66/29/35/189662935.db2.gz DJIVTMOENIJZGH-CBAPKCEASA-N 0 0 274.411 2.982 50 0 CFAARN O=C(/C=C/c1ccccc1)N[C@@H]1CCN(c2nccs2)C1 ZINC000206807957 189685778 /nfs/dbraw/zinc/68/57/78/189685778.db2.gz WITONXOCSZWULT-PSKZRQQASA-N 0 0 299.399 2.551 50 0 CFAARN O=C(CCc1ccccc1Cl)N1CCO[C@H](C2CC2)C1 ZINC000217883742 189712413 /nfs/dbraw/zinc/71/24/13/189712413.db2.gz PIBFXMKNSWOKCU-HNNXBMFYSA-N 0 0 293.794 2.910 50 0 CFAARN Clc1ccc(CNc2ncncn2)cc1Cl ZINC000220077201 189721694 /nfs/dbraw/zinc/72/16/94/189721694.db2.gz KQDQYEVKQNNDJS-UHFFFAOYSA-N 0 0 255.108 2.791 50 0 CFAARN Cc1ccc(C2(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1 ZINC000220090285 189721860 /nfs/dbraw/zinc/72/18/60/189721860.db2.gz RBYWAHRHTXSYMT-OAHLLOKOSA-N 0 0 287.403 2.960 50 0 CFAARN C[C@]1(C(=O)N[C@H]2CCCOc3ccccc32)C[C@H]1F ZINC000424641224 291368283 /nfs/dbraw/zinc/36/82/83/291368283.db2.gz OLLAMTBTOCEJID-LNSITVRQSA-N 0 0 263.312 2.765 50 0 CFAARN CC1(C)CCC[C@@H]1NC(=O)Cc1ccc2n[nH]cc2c1 ZINC000225421474 189750382 /nfs/dbraw/zinc/75/03/82/189750382.db2.gz PAFJIADXBSOZBC-AWEZNQCLSA-N 0 0 271.364 2.800 50 0 CFAARN CC(C)n1ncc2cc(NC(=O)[C@H]3C[C@H]3C)cnc21 ZINC000017525890 541648361 /nfs/dbraw/zinc/64/83/61/541648361.db2.gz MJNNCELQAWRVGF-SKDRFNHKSA-N 0 0 258.325 2.607 50 0 CFAARN O=C([C@H]1CCCc2c3ccccc3[nH]c21)N1CC=CC1 ZINC000019642688 296118439 /nfs/dbraw/zinc/11/84/39/296118439.db2.gz JNWAIRBWYMMLSI-AWEZNQCLSA-N 0 0 266.344 2.986 50 0 CFAARN O=C(Cc1cccc(F)c1)NCc1ccc(F)cc1 ZINC000002635867 169816951 /nfs/dbraw/zinc/81/69/51/169816951.db2.gz WAYKWTSTHLQDMB-UHFFFAOYSA-N 0 0 261.271 2.824 50 0 CFAARN O=C(N[C@@H]1CCc2ccccc21)c1ccc2[nH]cnc2c1 ZINC000040017854 284107903 /nfs/dbraw/zinc/10/79/03/284107903.db2.gz JDFCYNCCNSKAAB-CQSZACIVSA-N 0 0 277.327 2.980 50 0 CFAARN Fc1ccc(C2(CNc3ncnc4oncc43)CC2)cc1 ZINC000225503605 189755195 /nfs/dbraw/zinc/75/51/95/189755195.db2.gz PFUKULKMNPIHOR-UHFFFAOYSA-N 0 0 284.294 2.901 50 0 CFAARN CCN1C[C@@H](c2nc(Cc3cc(C)ccc3C)no2)CC1=O ZINC000225590234 189758594 /nfs/dbraw/zinc/75/85/94/189758594.db2.gz PSYYBYWPFCPXDP-AWEZNQCLSA-N 0 0 299.374 2.613 50 0 CFAARN CCOCC1(C(=O)N[C@H]2CCC[C@@H](SC)C2)CC1 ZINC000225648976 189761184 /nfs/dbraw/zinc/76/11/84/189761184.db2.gz JXTLMDJBMHKTAP-NWDGAFQWSA-N 0 0 271.426 2.594 50 0 CFAARN CC(=O)c1ccc(CCNC(=O)c2ccco2)s1 ZINC000225669840 189761586 /nfs/dbraw/zinc/76/15/86/189761586.db2.gz SBUYDVLBOATMKF-UHFFFAOYSA-N 0 0 263.318 2.516 50 0 CFAARN O=C(c1ccoc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225677061 189761682 /nfs/dbraw/zinc/76/16/82/189761682.db2.gz NRBVOVCXKDPKCD-GFCCVEGCSA-N 0 0 285.299 2.638 50 0 CFAARN CCSCCCNC(=O)N[C@H](C)c1ncc(C)s1 ZINC000225695288 189762182 /nfs/dbraw/zinc/76/21/82/189762182.db2.gz STAXHGQUULUQGZ-SNVBAGLBSA-N 0 0 287.454 2.955 50 0 CFAARN C[C@H](O)c1ccc(CCNC(=O)NC2CCCCC2)s1 ZINC000225690244 189762207 /nfs/dbraw/zinc/76/22/07/189762207.db2.gz UIEHDVWWTNFPEU-NSHDSACASA-N 0 0 296.436 2.976 50 0 CFAARN C[C@]1(C(=O)Nc2ccccn2)CC(c2ccc(F)cc2)=NO1 ZINC000226747247 189777929 /nfs/dbraw/zinc/77/79/29/189777929.db2.gz PUKLNTNBMSURIW-MRXNPFEDSA-N 0 0 299.305 2.743 50 0 CFAARN CC[C@H](C(=O)Nc1ccc(C)[nH]c1=O)c1c(C)noc1C ZINC000330853301 203316241 /nfs/dbraw/zinc/31/62/41/203316241.db2.gz MLDLIENOFJBLJN-NSHDSACASA-N 0 0 289.335 2.833 50 0 CFAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C=C\c1ccco1 ZINC000229660689 189801263 /nfs/dbraw/zinc/80/12/63/189801263.db2.gz IJBXJXMAJVRTTK-WACGGTQYSA-N 0 0 291.347 2.626 50 0 CFAARN O=C([C@H]1SCCc2sccc21)N1CCCC1 ZINC000089885359 296156477 /nfs/dbraw/zinc/15/64/77/296156477.db2.gz MTKHSNUMMGQMCO-NSHDSACASA-N 0 0 253.392 2.701 50 0 CFAARN Cc1cccc(N2CCC(NC(=O)[C@@H]3CC=CCC3)CC2)n1 ZINC000116668997 376200497 /nfs/dbraw/zinc/20/04/97/376200497.db2.gz PKNLSMHZADBHGF-OAHLLOKOSA-N 0 0 299.418 2.831 50 0 CFAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCCCC1 ZINC000028649300 296170951 /nfs/dbraw/zinc/17/09/51/296170951.db2.gz RWTSLXPEZYBBHI-UHFFFAOYSA-N 0 0 281.739 2.737 50 0 CFAARN Cc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1 ZINC000000199651 371556116 /nfs/dbraw/zinc/55/61/16/371556116.db2.gz POVASVWFMVBKHO-UHFFFAOYSA-N 0 0 255.321 2.849 50 0 CFAARN CC[C@@H](C(=O)NCc1ccncc1)c1ccccc1 ZINC000000030799 371510682 /nfs/dbraw/zinc/51/06/82/371510682.db2.gz RWQPVSKWCCBCND-OAHLLOKOSA-N 0 0 254.333 2.892 50 0 CFAARN COc1ccc(C(=O)N2CCc3ccccc3C2)cc1OC ZINC000000029919 371510911 /nfs/dbraw/zinc/51/09/11/371510911.db2.gz WZZHIICBEWCZHH-UHFFFAOYSA-N 0 0 297.354 2.902 50 0 CFAARN CC(=O)Oc1ccccc1C(=O)NCCc1ccccc1 ZINC000000030101 371511089 /nfs/dbraw/zinc/51/10/89/371511089.db2.gz CDMORFHCNVDTOY-UHFFFAOYSA-N 0 0 283.327 2.584 50 0 CFAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)OCO2 ZINC000000035563 371512668 /nfs/dbraw/zinc/51/26/68/371512668.db2.gz WKNRUDRPNCBZME-UHFFFAOYSA-N 0 0 277.226 2.946 50 0 CFAARN Cc1noc(C)c1COc1ccc2ccc(=O)oc2c1 ZINC000000038312 371514060 /nfs/dbraw/zinc/51/40/60/371514060.db2.gz MSXDLPJTYVZYDB-UHFFFAOYSA-N 0 0 271.272 2.977 50 0 CFAARN O=C(CSc1cccs1)Nc1nccs1 ZINC000000042394 371515692 /nfs/dbraw/zinc/51/56/92/371515692.db2.gz URIQMMLVJWQRIR-UHFFFAOYSA-N 0 0 256.377 2.935 50 0 CFAARN O=C(c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000000049309 371516801 /nfs/dbraw/zinc/51/68/01/371516801.db2.gz 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373284044 /nfs/dbraw/zinc/28/40/44/373284044.db2.gz RJIIOTFEGASJHA-GFCCVEGCSA-N 0 0 262.328 2.981 50 0 CFAARN Cc1ccc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1C ZINC000049275650 373284544 /nfs/dbraw/zinc/28/45/44/373284544.db2.gz DZFDLZOPIMPTOX-UKRRQHHQSA-N 0 0 277.364 2.826 50 0 CFAARN COc1cccc(CS(=O)(=O)Cc2csc(C)n2)c1 ZINC000050140525 373357588 /nfs/dbraw/zinc/35/75/88/373357588.db2.gz PMPQQNSZSCANKS-UHFFFAOYSA-N 0 0 297.401 2.575 50 0 CFAARN CON(C)C(=O)c1ccccc1Oc1cccnc1 ZINC000052027385 373430906 /nfs/dbraw/zinc/43/09/06/373430906.db2.gz DFXXIKPZWDSSJZ-UHFFFAOYSA-N 0 0 258.277 2.507 50 0 CFAARN C/C=C/C=C\C(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000051065450 373388234 /nfs/dbraw/zinc/38/82/34/373388234.db2.gz JXEKJWAXDFNLLT-STMOGGTPSA-N 0 0 255.321 2.654 50 0 CFAARN Cc1cc(C)nc(NC2CCN(C(=O)C(C)(C)C)CC2)n1 ZINC000052218485 373443174 /nfs/dbraw/zinc/44/31/74/373443174.db2.gz DEWYVHUJDHMTRF-UHFFFAOYSA-N 0 0 290.411 2.542 50 0 CFAARN CC(=O)c1ccc(N2CCN(Cc3cc(C)no3)CC2)cc1 ZINC000052723221 373450619 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CC1CCN(C(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000062618842 393626403 /nfs/dbraw/zinc/62/64/03/393626403.db2.gz MCPXGWNZFBDPST-AWEZNQCLSA-N 0 0 259.349 2.811 50 0 CFAARN O=C(Nc1nc2c(s1)CCC2)NC1CCCC1 ZINC000070642214 393639492 /nfs/dbraw/zinc/63/94/92/393639492.db2.gz IUGJBLRMYXZGKZ-UHFFFAOYSA-N 0 0 251.355 2.696 50 0 CFAARN FC(F)(F)[C@H]1CN(c2nc(-c3ccccc3)no2)CCO1 ZINC000071712053 393640785 /nfs/dbraw/zinc/64/07/85/393640785.db2.gz HLHWBZRALOXRIO-SNVBAGLBSA-N 0 0 299.252 2.504 50 0 CFAARN COC(C)(C)c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000195578671 393744217 /nfs/dbraw/zinc/74/42/17/393744217.db2.gz AYFOJXMTODSSPY-UHFFFAOYSA-N 0 0 260.293 2.553 50 0 CFAARN CO[C@@H](CNC(=O)NCCc1ccccc1)c1ccco1 ZINC000206868834 393752404 /nfs/dbraw/zinc/75/24/04/393752404.db2.gz WLDGOBXDPUFNPD-HNNXBMFYSA-N 0 0 288.347 2.509 50 0 CFAARN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000086729440 393755089 /nfs/dbraw/zinc/75/50/89/393755089.db2.gz MEVGBMFDXZMGJD-LBPRGKRZSA-N 0 0 271.719 2.918 50 0 CFAARN CSCc1cccc(NC(=O)NC[C@H]2CCC[C@@H]2O)c1 ZINC000096434822 393833549 /nfs/dbraw/zinc/83/35/49/393833549.db2.gz YQWYUCMPNXUJFK-OCCSQVGLSA-N 0 0 294.420 2.832 50 0 CFAARN COCCN(C(=O)Nc1cccnc1)[C@@H]1CCC[C@@H]1C ZINC000225438048 393768904 /nfs/dbraw/zinc/76/89/04/393768904.db2.gz PSHPYWOJIACSOY-GXTWGEPZSA-N 0 0 277.368 2.751 50 0 CFAARN CCCCO[C@H](C)C(=O)N(C)c1ncc(F)cc1F ZINC000239672674 393797861 /nfs/dbraw/zinc/79/78/61/393797861.db2.gz BUQQWPIYWJGZGI-SECBINFHSA-N 0 0 272.295 2.528 50 0 CFAARN c1csc(CN(C[C@H]2CCCO2)[C@H]2CCSC2)n1 ZINC000240244186 393798114 /nfs/dbraw/zinc/79/81/14/393798114.db2.gz DKRIXOQKGBHLAU-NWDGAFQWSA-N 0 0 284.450 2.630 50 0 CFAARN COc1nc(C(F)(F)F)ccc1Br ZINC000095642118 393812938 /nfs/dbraw/zinc/81/29/38/393812938.db2.gz LNPUJUBLIZLHQE-UHFFFAOYSA-N 0 0 256.021 2.872 50 0 CFAARN CC[C@@H](C)c1ccccc1OCc1nc(C)nn1CCO ZINC000096151050 393816230 /nfs/dbraw/zinc/81/62/30/393816230.db2.gz QCMUJMDVOBOUKP-GFCCVEGCSA-N 0 0 289.379 2.671 50 0 CFAARN CC(C)CNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000096192922 393816911 /nfs/dbraw/zinc/81/69/11/393816911.db2.gz PABNENZTIVSIGQ-HNNXBMFYSA-N 0 0 294.782 2.995 50 0 CFAARN Cc1nc(Cl)cc(C(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000096182646 393817190 /nfs/dbraw/zinc/81/71/90/393817190.db2.gz WDYMUOHOJYBPSM-DTORHVGOSA-N 0 0 267.760 2.557 50 0 CFAARN Cc1cccc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)n1 ZINC000096192565 393817219 /nfs/dbraw/zinc/81/72/19/393817219.db2.gz DQQHPTVHHPXBDM-QGZVFWFLSA-N 0 0 295.342 2.912 50 0 CFAARN C[C@@H]1CCCN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C1 ZINC000096192053 393817277 /nfs/dbraw/zinc/81/72/77/393817277.db2.gz KGLTXYKBGCCFTK-CQSZACIVSA-N 0 0 296.370 2.710 50 0 CFAARN O=C(c1ccc(Oc2cccc(F)c2)o1)N1CCOCC1 ZINC000096183907 393817399 /nfs/dbraw/zinc/81/73/99/393817399.db2.gz CJKYIPFSQGEPQR-UHFFFAOYSA-N 0 0 291.278 2.683 50 0 CFAARN CC(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 ZINC000096357692 393820179 /nfs/dbraw/zinc/82/01/79/393820179.db2.gz XROIYTHLMXKWCN-UHFFFAOYSA-N 0 0 283.287 2.879 50 0 CFAARN C[C@H](Cc1ccc2ccccc2c1)NC(=O)Cn1cccn1 ZINC000096402707 393820192 /nfs/dbraw/zinc/82/01/92/393820192.db2.gz FEXRISCYFTWRCW-CQSZACIVSA-N 0 0 293.370 2.784 50 0 CFAARN O=C(OCC1CC1)c1ccc(NC(=O)C2CC2)s1 ZINC000096402351 393820356 /nfs/dbraw/zinc/82/03/56/393820356.db2.gz VLBUWFBTKUPNDO-UHFFFAOYSA-N 0 0 265.334 2.663 50 0 CFAARN CO[C@H](C(=O)NC(C1CC1)C1CC1)c1ccccc1 ZINC000096405844 393821241 /nfs/dbraw/zinc/82/12/41/393821241.db2.gz HXUBBISRGXZIGD-HNNXBMFYSA-N 0 0 259.349 2.679 50 0 CFAARN O=C(NCC1CCC1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000096407167 393821246 /nfs/dbraw/zinc/82/12/46/393821246.db2.gz STVZWXACLFALMM-QWRGUYRKSA-N 0 0 265.303 2.985 50 0 CFAARN CONC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000096404716 393821311 /nfs/dbraw/zinc/82/13/11/393821311.db2.gz GIAXZTZYSCGQRF-IUCAKERBSA-N 0 0 260.120 2.775 50 0 CFAARN CCOCCCC(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000096409453 393822920 /nfs/dbraw/zinc/82/29/20/393822920.db2.gz PAIFBWRSUKMUKQ-VXGBXAGGSA-N 0 0 259.415 2.594 50 0 CFAARN COC(=O)c1ccc(C(=O)Nc2cccc3[nH]cnc32)cc1 ZINC000096411802 393824026 /nfs/dbraw/zinc/82/40/26/393824026.db2.gz RQBSIWVKQWUNQA-UHFFFAOYSA-N 0 0 295.298 2.602 50 0 CFAARN Cc1cccc(C(C)(C)NC(=O)[C@H](C)n2cccn2)c1 ZINC000096412110 393825050 /nfs/dbraw/zinc/82/50/50/393825050.db2.gz MIGCXIGTJWGDFL-ZDUSSCGKSA-N 0 0 271.364 2.804 50 0 CFAARN CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000096416453 393826335 /nfs/dbraw/zinc/82/63/35/393826335.db2.gz CMFRDZLNPNQXQZ-HZPDHXFCSA-N 0 0 275.392 2.797 50 0 CFAARN CCOCC(=O)N[C@H](CC)c1cc(F)ccc1F ZINC000096419074 393826942 /nfs/dbraw/zinc/82/69/42/393826942.db2.gz YVBJTJOBSZMPTG-GFCCVEGCSA-N 0 0 257.280 2.569 50 0 CFAARN CC(C)[C@@H](CNC(=O)C1CC=CC1)NC(=O)OC(C)(C)C ZINC000096418765 393827119 /nfs/dbraw/zinc/82/71/19/393827119.db2.gz NTPLGBYTSRTWHW-CYBMUJFWSA-N 0 0 296.411 2.618 50 0 CFAARN Cc1cccc(NC2CCN([C@@H]3C[C@H](C)OC3=O)CC2)c1 ZINC000096421213 393828223 /nfs/dbraw/zinc/82/82/23/393828223.db2.gz FYKLYBZWWIUIEZ-XJKSGUPXSA-N 0 0 288.391 2.575 50 0 CFAARN CC(C)[C@H](O)CNC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000096420202 393828289 /nfs/dbraw/zinc/82/82/89/393828289.db2.gz NPYLATBDQRKSGF-CYBMUJFWSA-N 0 0 299.802 2.544 50 0 CFAARN COc1ccc([C@H](C)CCNC(=O)[C@H]2CCCOC2)cc1 ZINC000096423382 393828670 /nfs/dbraw/zinc/82/86/70/393828670.db2.gz PIKPZJIELHKFHI-HIFRSBDPSA-N 0 0 291.391 2.732 50 0 CFAARN CCCNC(=O)CCNc1ccc2ccc(F)cc2n1 ZINC000096429213 393830370 /nfs/dbraw/zinc/83/03/70/393830370.db2.gz SUGQPXYENZWYPU-UHFFFAOYSA-N 0 0 275.327 2.702 50 0 CFAARN O=C(CCc1cccc(Cl)c1)NC[C@@H]1CCC[C@H]1O ZINC000096427096 393830613 /nfs/dbraw/zinc/83/06/13/393830613.db2.gz GGMBBYZEBMGDKN-GXTWGEPZSA-N 0 0 281.783 2.550 50 0 CFAARN CCSCC[C@@H](C)Nc1ncc(C(N)=O)cc1Cl ZINC000096429853 393830904 /nfs/dbraw/zinc/83/09/04/393830904.db2.gz CDNICXBYBAIPRK-MRVPVSSYSA-N 0 0 287.816 2.778 50 0 CFAARN O=C(C[C@@H]1CCOC1)N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000096432728 393832554 /nfs/dbraw/zinc/83/25/54/393832554.db2.gz WOUIEQCMGIHNNX-MGPLVRAMSA-N 0 0 295.329 2.959 50 0 CFAARN CCSCC[C@H](C)NC(=O)c1ccc[nH]c1=S ZINC000096433101 393832724 /nfs/dbraw/zinc/83/27/24/393832724.db2.gz QVPFZDXIFZMGGT-VIFPVBQESA-N 0 0 270.423 2.632 50 0 CFAARN CCO[C@@H]1C[C@H](NC(=O)C2(C)CCOCC2)C12CCCC2 ZINC000096432512 393832999 /nfs/dbraw/zinc/83/29/99/393832999.db2.gz DEMZTIKECPAHTK-UONOGXRCSA-N 0 0 295.423 2.657 50 0 CFAARN CC[C@H]1COCCN1C(=O)Nc1ccccc1N(C)CC ZINC000096434900 393833480 /nfs/dbraw/zinc/83/34/80/393833480.db2.gz IZBNGBVRRFVABF-ZDUSSCGKSA-N 0 0 291.395 2.785 50 0 CFAARN Cc1nn(C(C)C)c(C)c1C(=O)N1CC=C(C)CC1 ZINC000426387047 393888304 /nfs/dbraw/zinc/88/83/04/393888304.db2.gz HFRANFBRVRVNQZ-UHFFFAOYSA-N 0 0 261.369 2.873 50 0 CFAARN CC(C)(C)c1n[nH]cc1-c1ccc(S(C)(=O)=O)cc1 ZINC000426677847 393889328 /nfs/dbraw/zinc/88/93/28/393889328.db2.gz VILGIOJZONDBNJ-UHFFFAOYSA-N 0 0 278.377 2.778 50 0 CFAARN COc1cc(C(=O)N2CCCc3cccc(Cl)c32)on1 ZINC000097108880 393840087 /nfs/dbraw/zinc/84/00/87/393840087.db2.gz ZAWQOOKIWOCSAD-UHFFFAOYSA-N 0 0 292.722 2.930 50 0 CFAARN CC[C@@](C)(O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000097102877 393841221 /nfs/dbraw/zinc/84/12/21/393841221.db2.gz SNUKCKYNHHJOGI-OAHLLOKOSA-N 0 0 291.372 2.510 50 0 CFAARN CCOC(=O)c1ccccc1C(=O)OCC(C)C ZINC000098181703 393842960 /nfs/dbraw/zinc/84/29/60/393842960.db2.gz POXXQVSKWJPZNO-UHFFFAOYSA-N 0 0 250.294 2.676 50 0 CFAARN Cc1cc2[nH]c(=S)n(-c3ccc(C)cc3)c(=O)c2[nH]1 ZINC000102921883 393853034 /nfs/dbraw/zinc/85/30/34/393853034.db2.gz OBQIPXAFBOMGKJ-UHFFFAOYSA-N 0 0 271.345 2.993 50 0 CFAARN COc1cccc(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000824795611 781996978 /nfs/dbraw/zinc/99/69/78/781996978.db2.gz JLBJXCBNNCZYIA-FRRDWIJNSA-N 0 0 259.349 2.922 50 0 CFAARN O=C(C[C@H]1CCCC[C@@H]1O)NC1(c2cccc(F)c2)CC1 ZINC000252486138 393935602 /nfs/dbraw/zinc/93/56/02/393935602.db2.gz HHWAFVWWTMVPCT-DOMZBBRYSA-N 0 0 291.366 2.872 50 0 CFAARN COC(=O)c1cc(Cl)c(Br)cc1O ZINC000259987303 393946579 /nfs/dbraw/zinc/94/65/79/393946579.db2.gz HBLLQAAMTGHSNF-UHFFFAOYSA-N 0 0 265.490 2.595 50 0 CFAARN CCc1ncnc(N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1F ZINC000271133130 394016595 /nfs/dbraw/zinc/01/65/95/394016595.db2.gz VWYBYZWJJGLBNS-WCQGTBRESA-N 0 0 265.332 2.548 50 0 CFAARN Cc1nc2cc(C=NNc3nc(C)cc(=O)[nH]3)ccc2s1 ZINC000263632517 393964232 /nfs/dbraw/zinc/96/42/32/393964232.db2.gz KNFQWTYHBBNYPI-UHFFFAOYSA-N 0 0 299.359 2.855 50 0 CFAARN CC[C@H](c1ccccc1)[S@@](=O)Cc1nnc(C)n1C ZINC000123535864 393982892 /nfs/dbraw/zinc/98/28/92/393982892.db2.gz HFKXKSXPQBCOTQ-BFUOFWGJSA-N 0 0 277.393 2.524 50 0 CFAARN CC1(C(=O)N2CCN(c3ccccc3)CC2)CCCC1 ZINC000003215054 134643153 /nfs/dbraw/zinc/64/31/53/134643153.db2.gz YLWDPRZIJHQUSB-UHFFFAOYSA-N 0 0 272.392 2.916 50 0 CFAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1 ZINC000006747190 134662275 /nfs/dbraw/zinc/66/22/75/134662275.db2.gz UQTKLQDNSNGSCI-AWEZNQCLSA-N 0 0 296.374 2.640 50 0 CFAARN Cc1ccc2c(c1)CCCN2CC(=O)Nc1nccs1 ZINC000011254219 134674996 /nfs/dbraw/zinc/67/49/96/134674996.db2.gz CELJXUJFVZEFBV-UHFFFAOYSA-N 0 0 287.388 2.843 50 0 CFAARN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1cn3ccccc3n1)N2 ZINC000153673050 394289556 /nfs/dbraw/zinc/28/95/56/394289556.db2.gz HPTVVTOIOWPUDP-INIZCTEOSA-N 0 0 292.342 2.839 50 0 CFAARN C[C@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 ZINC000041155513 134878401 /nfs/dbraw/zinc/87/84/01/134878401.db2.gz ZHWXQBPSTMFMDU-ZDUSSCGKSA-N 0 0 283.327 2.880 50 0 CFAARN Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000054126359 134925740 /nfs/dbraw/zinc/92/57/40/134925740.db2.gz LCFGZNZWZMLJFR-UHFFFAOYSA-N 0 0 284.363 2.961 50 0 CFAARN Cc1cccc(NC(=O)NCC2CCOCC2)c1C ZINC000169763027 394370739 /nfs/dbraw/zinc/37/07/39/394370739.db2.gz MDBSAQKAVRUQQY-UHFFFAOYSA-N 0 0 262.353 2.852 50 0 CFAARN C[C@@H](C(=O)[O-])[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000170049266 394371087 /nfs/dbraw/zinc/37/10/87/394371087.db2.gz JZJGWOSWCAYNNK-NSHDSACASA-N 0 0 271.316 2.778 50 0 CFAARN Cc1noc([C@@H]2CCCN(c3nccc4occc43)C2)n1 ZINC000091455035 135070407 /nfs/dbraw/zinc/07/04/07/135070407.db2.gz ZDOGCNZWPVFZNE-LLVKDONJSA-N 0 0 284.319 2.903 50 0 CFAARN 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540199888 /nfs/dbraw/zinc/19/98/88/540199888.db2.gz UXIYBTZEMJLQQY-HNNXBMFYSA-N 0 0 291.391 2.598 50 0 CFAARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccnc1 ZINC000002766002 169827422 /nfs/dbraw/zinc/82/74/22/169827422.db2.gz AZQOKVVOANMFPV-UHFFFAOYSA-N 0 0 296.305 2.718 50 0 CFAARN CCCCc1noc(CN(C)c2c(C)noc2C)n1 ZINC000084746915 540207711 /nfs/dbraw/zinc/20/77/11/540207711.db2.gz KRKJDIUBFIXYJO-UHFFFAOYSA-N 0 0 264.329 2.653 50 0 CFAARN CCO[C@@H](C)c1noc(COc2cccc([C@H](C)O)c2)n1 ZINC000084800636 540209958 /nfs/dbraw/zinc/20/99/58/540209958.db2.gz VLDIIUKJKHIZTM-QWRGUYRKSA-N 0 0 292.335 2.799 50 0 CFAARN C[C@H](OC(=O)C1CC1)c1nnc(-c2cccs2)o1 ZINC000084667964 540204856 /nfs/dbraw/zinc/20/48/56/540204856.db2.gz MNBLPANKZVKFCN-ZETCQYMHSA-N 0 0 264.306 2.812 50 0 CFAARN CC1(C)OC[C@H](CCOC(=O)CCc2cccc(F)c2)O1 ZINC000084673839 540205195 /nfs/dbraw/zinc/20/51/95/540205195.db2.gz GLUBGTPTEXHGQU-AWEZNQCLSA-N 0 0 296.338 2.843 50 0 CFAARN CC(C)[C@@H](OC(=O)C1CCC1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000084686200 540205241 /nfs/dbraw/zinc/20/52/41/540205241.db2.gz UQTIDPUMPLTPOX-VNHYZAJKSA-N 0 0 295.423 2.859 50 0 CFAARN CCn1cc(-c2nc(-c3cccc(OC)c3)no2)cn1 ZINC000174867066 188921424 /nfs/dbraw/zinc/92/14/24/188921424.db2.gz QDCXVDGDXCOVPE-UHFFFAOYSA-N 0 0 270.292 2.629 50 0 CFAARN O=C([O-])CC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072478483 304052627 /nfs/dbraw/zinc/05/26/27/304052627.db2.gz ZNDQYUGRBKIDLI-ZDUSSCGKSA-N 0 0 251.301 2.827 50 0 CFAARN O=C([C@@H]1C[C@H]1c1ccco1)N1CCO[C@@H](c2ccccc2)C1 ZINC000247949296 540235692 /nfs/dbraw/zinc/23/56/92/540235692.db2.gz SDPKVXLASCPVHU-BFYDXBDKSA-N 0 0 297.354 2.983 50 0 CFAARN Cc1cc(C(=O)NCC(=O)C(C)(C)C)c(C(F)(F)F)o1 ZINC000274483080 192614182 /nfs/dbraw/zinc/61/41/82/192614182.db2.gz BJHIQIXKVYUIKI-UHFFFAOYSA-N 0 0 291.269 2.952 50 0 CFAARN CN1c2ccccc2/C(=C2/NC[C@H](c3ccccc3)O2)C1=O ZINC000252509965 283264039 /nfs/dbraw/zinc/26/40/39/283264039.db2.gz YZIIPKRMMDCSOM-XNSRXUQDSA-N 0 0 292.338 2.693 50 0 CFAARN Cc1cccc(NC(=O)c2cc(Cl)n(C)n2)c1C ZINC000006732423 540368078 /nfs/dbraw/zinc/36/80/78/540368078.db2.gz GLGFURDUGXRZMW-UHFFFAOYSA-N 0 0 263.728 2.943 50 0 CFAARN Cc1c(C(=O)NC[C@@H]2CCCc3ccccc32)cnn1C ZINC000123606493 540379889 /nfs/dbraw/zinc/37/98/89/540379889.db2.gz QEWGMXQEWHXFTA-AWEZNQCLSA-N 0 0 283.375 2.578 50 0 CFAARN CCOC(=O)C1(C(=O)OC2CCCCCC2)CC1 ZINC000092814526 540412228 /nfs/dbraw/zinc/41/22/28/540412228.db2.gz VMCVWJCYVMVGLX-UHFFFAOYSA-N 0 0 254.326 2.596 50 0 CFAARN C[C@H]1Cc2ccccc2N1C(=O)C1CCC(=O)CC1 ZINC000072306924 291168195 /nfs/dbraw/zinc/16/81/95/291168195.db2.gz FNJAHWKRGNPJCC-NSHDSACASA-N 0 0 257.333 2.724 50 0 CFAARN Cc1noc2ncnc(NCCc3ccc4c(c3)CCO4)c12 ZINC000192455587 540438282 /nfs/dbraw/zinc/43/82/82/540438282.db2.gz KUSYBKNSBGCWAO-UHFFFAOYSA-N 0 0 296.330 2.516 50 0 CFAARN CCn1ccc(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2C)n1 ZINC000585090104 540461226 /nfs/dbraw/zinc/46/12/26/540461226.db2.gz HJAOWSOAAZAXAX-ACJLOTCBSA-N 0 0 297.402 2.885 50 0 CFAARN COCc1nc(C)cc(N[C@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000585091301 540461505 /nfs/dbraw/zinc/46/15/05/540461505.db2.gz ZCCMYCKFEJDRJZ-XJKSGUPXSA-N 0 0 291.395 2.691 50 0 CFAARN O=S1(=O)CCCN1Cc1cccc(-c2ccsc2)c1 ZINC000585091969 540461723 /nfs/dbraw/zinc/46/17/23/540461723.db2.gz VYWQSMSVCSVUBM-UHFFFAOYSA-N 0 0 293.413 2.951 50 0 CFAARN O=C(CN1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000036183270 540509466 /nfs/dbraw/zinc/50/94/66/540509466.db2.gz ODGCGDCJPHAFII-UHFFFAOYSA-N 0 0 281.355 2.869 50 0 CFAARN O=S(=O)(C1CC1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000207961123 540537053 /nfs/dbraw/zinc/53/70/53/540537053.db2.gz BOIMHOSXXNVYCU-ZDUSSCGKSA-N 0 0 297.395 2.887 50 0 CFAARN O=C(c1ccc2[nH]ccc2c1)N1CCCO[C@H]2CCC[C@@H]21 ZINC000169988229 540551142 /nfs/dbraw/zinc/55/11/42/540551142.db2.gz GAIHCACSYMSSSW-HOTGVXAUSA-N 0 0 284.359 2.952 50 0 CFAARN CCS[C@@H]1CC[C@]1(O)CNc1cc(C)nc(C2CC2)n1 ZINC000170017357 540551801 /nfs/dbraw/zinc/55/18/01/540551801.db2.gz AUWZFUCRPMGAJX-DOMZBBRYSA-N 0 0 293.436 2.721 50 0 CFAARN CCc1ccc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)o1 ZINC000253606462 540557716 /nfs/dbraw/zinc/55/77/16/540557716.db2.gz NMYXZIORSBHSGF-IACUBPJLSA-N 0 0 277.364 2.728 50 0 CFAARN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000674927971 540590331 /nfs/dbraw/zinc/59/03/31/540590331.db2.gz RBARIWTXGHMBKK-BFYDXBDKSA-N 0 0 292.423 2.777 50 0 CFAARN CC(=O)[C@H]1COc2cccc(Br)c2C1 ZINC000675063889 540648654 /nfs/dbraw/zinc/64/86/54/540648654.db2.gz RYAHNWZGWAIGNJ-MRVPVSSYSA-N 0 0 255.111 2.589 50 0 CFAARN O=C(NC1CCC(O)CC1)c1sccc1C1CC1 ZINC000084618174 540684861 /nfs/dbraw/zinc/68/48/61/540684861.db2.gz NSATYTGQTIISSS-UHFFFAOYSA-N 0 0 265.378 2.659 50 0 CFAARN Cc1cc(CNC(=O)N2CCOC[C@@H]2C2CC2)c(C)s1 ZINC000095444965 540724238 /nfs/dbraw/zinc/72/42/38/540724238.db2.gz WLOZISPPYWJSAL-CQSZACIVSA-N 0 0 294.420 2.685 50 0 CFAARN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c(C)s1 ZINC000095425950 540724297 /nfs/dbraw/zinc/72/42/97/540724297.db2.gz OCPNNDGKKIARGT-STQMWFEESA-N 0 0 297.445 2.711 50 0 CFAARN Cc1[nH]ccc1C(=O)N1CCC(O)(c2ccccc2C)CC1 ZINC000095408737 540724666 /nfs/dbraw/zinc/72/46/66/540724666.db2.gz NDYSJXGGDQOCAX-UHFFFAOYSA-N 0 0 298.386 2.755 50 0 CFAARN Cc1cc(C)n(Cc2ccc(C(=O)N3CCCCC3)o2)n1 ZINC000095393881 540724854 /nfs/dbraw/zinc/72/48/54/540724854.db2.gz UEANAKHOFJZZCQ-UHFFFAOYSA-N 0 0 287.363 2.767 50 0 CFAARN O=C([C@H]1CCCO1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000095396174 540724950 /nfs/dbraw/zinc/72/49/50/540724950.db2.gz DVCJJRIDUGKEKY-UONOGXRCSA-N 0 0 281.302 2.807 50 0 CFAARN C[C@H]1c2ccc(F)cc2CCN1C(=O)C1=COCCC1 ZINC000095399303 540725003 /nfs/dbraw/zinc/72/50/03/540725003.db2.gz VFZQSAPMCONOKV-NSHDSACASA-N 0 0 275.323 2.966 50 0 CFAARN C[C@H]1CCN(C)c2ccccc2N1C(=O)CCn1cccn1 ZINC000095416985 540725369 /nfs/dbraw/zinc/72/53/69/540725369.db2.gz FFIAPRFDDZVZRH-AWEZNQCLSA-N 0 0 298.390 2.535 50 0 CFAARN CC(=O)N1CCCc2cc(-c3nc(C4CC4)no3)ccc21 ZINC000095412808 540725571 /nfs/dbraw/zinc/72/55/71/540725571.db2.gz JPYWBEHYRNMAJK-UHFFFAOYSA-N 0 0 283.331 2.913 50 0 CFAARN COc1cccc(Cl)c1CC(=O)N1CCOCC[C@H]1C ZINC000095943169 540726311 /nfs/dbraw/zinc/72/63/11/540726311.db2.gz HWERFRWMZNSYDE-LLVKDONJSA-N 0 0 297.782 2.529 50 0 CFAARN O=C(N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)C1CC1 ZINC000089857941 540719970 /nfs/dbraw/zinc/71/99/70/540719970.db2.gz VKYYPFZUQSHDIJ-HOTGVXAUSA-N 0 0 281.359 2.638 50 0 CFAARN COc1cccc([C@H]2CC(c3ccco3)=NN2C(C)=O)c1 ZINC000089930441 540720240 /nfs/dbraw/zinc/72/02/40/540720240.db2.gz ZZBDLZDDDHPJJB-OAHLLOKOSA-N 0 0 284.315 2.986 50 0 CFAARN O=C(CSCCO[C@H]1CCCCO1)Nc1ccccc1 ZINC000252484509 540745831 /nfs/dbraw/zinc/74/58/31/540745831.db2.gz FYCXGEXFIFBMBE-HNNXBMFYSA-N 0 0 295.404 2.902 50 0 CFAARN C/C=C\CSc1nnc(N2CCCC2)n1C1CC1 ZINC000208892972 540760197 /nfs/dbraw/zinc/76/01/97/540760197.db2.gz CXZNGPDCUYNJMV-IHWYPQMZSA-N 0 0 264.398 2.881 50 0 CFAARN CC[C@H](C)Oc1cccc(N[C@@H](C)CC(=O)NC)c1 ZINC000299180954 200633147 /nfs/dbraw/zinc/63/31/47/200633147.db2.gz XPXYNDVRWZZIIG-RYUDHWBXSA-N 0 0 264.369 2.800 50 0 CFAARN Cc1nc2ccccc2c(C)c1CC(=O)N1CCO[C@@H](C)C1 ZINC000011454749 540881087 /nfs/dbraw/zinc/88/10/87/540881087.db2.gz VROGILONGHADSV-LBPRGKRZSA-N 0 0 298.386 2.641 50 0 CFAARN CN(Cc1nc[nH]n1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000179793882 189220805 /nfs/dbraw/zinc/22/08/05/189220805.db2.gz HQQABMOGZTXYSB-UHFFFAOYSA-N 0 0 288.248 2.595 50 0 CFAARN CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1Cl ZINC000012890030 540922835 /nfs/dbraw/zinc/92/28/35/540922835.db2.gz NSVJYEGISYFGBN-XVKPBYJWSA-N 0 0 266.728 2.893 50 0 CFAARN Cc1cccc(OCc2cc(=O)n3ccccc3n2)c1C ZINC000012974247 540925840 /nfs/dbraw/zinc/92/58/40/540925840.db2.gz VSMIDMVCHOUZPP-UHFFFAOYSA-N 0 0 280.327 2.890 50 0 CFAARN Cc1cc(CNC(=O)Cc2cccc3ccccc32)ncn1 ZINC000585359371 540940031 /nfs/dbraw/zinc/94/00/31/540940031.db2.gz HNESNXXMXVXPOF-UHFFFAOYSA-N 0 0 291.354 2.797 50 0 CFAARN Cc1cccc(Oc2ncnc3c2cnn3C)c1C ZINC000014212104 540961934 /nfs/dbraw/zinc/96/19/34/540961934.db2.gz QCVGSJVPKMJDEJ-UHFFFAOYSA-N 0 0 254.293 2.772 50 0 CFAARN O=C(NCc1ccncc1)NC1CCCCCCC1 ZINC000012537306 540966143 /nfs/dbraw/zinc/96/61/43/540966143.db2.gz XOXGZGPEIRWKMF-UHFFFAOYSA-N 0 0 261.369 2.994 50 0 CFAARN Cc1nc(C)c(C)c(N2CCC(Oc3ccncc3)CC2)n1 ZINC000670434618 540992819 /nfs/dbraw/zinc/99/28/19/540992819.db2.gz ABIHZNUCHRTNND-UHFFFAOYSA-N 0 0 298.390 2.845 50 0 CFAARN CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(C)c1 ZINC000670435027 540993216 /nfs/dbraw/zinc/99/32/16/540993216.db2.gz XARSPGVICUQNPO-FOLVSLTJSA-N 0 0 289.375 2.542 50 0 CFAARN CC(C)CCc1nc([C@@H]2C[C@@H]3C=C[C@H]2C3)n(CCCO)n1 ZINC000670435290 540993282 /nfs/dbraw/zinc/99/32/82/540993282.db2.gz WBQLQGRLAJDMSN-QLFBSQMISA-N 0 0 289.423 2.929 50 0 CFAARN C[C@H](NC(=S)NC(=O)C1CCCC1)c1ccccc1 ZINC000003281154 540993471 /nfs/dbraw/zinc/99/34/71/540993471.db2.gz YLHJBVFDTOKFRL-NSHDSACASA-N 0 0 276.405 2.929 50 0 CFAARN COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1c(C)ncn1C ZINC000670436366 540994006 /nfs/dbraw/zinc/99/40/06/540994006.db2.gz WNBOJDJMCQLNOA-HNNXBMFYSA-N 0 0 299.374 2.545 50 0 CFAARN O=C([O-])C[N@@H+]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000670436565 540994059 /nfs/dbraw/zinc/99/40/59/540994059.db2.gz SNUZVFZMUHKVQO-NSHDSACASA-N 0 0 253.729 2.604 50 0 CFAARN Cc1cccc2[nH]c(C[N@@H+](C)[C@H]3CCSC3)nc21 ZINC000670441771 540996214 /nfs/dbraw/zinc/99/62/14/540996214.db2.gz LYEOYUHBHJFJOU-NSHDSACASA-N 0 0 261.394 2.809 50 0 CFAARN Cc1cccnc1C[C@@H](C)Nc1ncnc2[nH]ccc21 ZINC000670441774 540996325 /nfs/dbraw/zinc/99/63/25/540996325.db2.gz YCNMQDLHFZVHJP-LLVKDONJSA-N 0 0 267.336 2.704 50 0 CFAARN CCc1csc(CNC(=O)c2onc3c2CCCC3)n1 ZINC000670444691 540996699 /nfs/dbraw/zinc/99/66/99/540996699.db2.gz BKASXCFLUFGCJN-UHFFFAOYSA-N 0 0 291.376 2.502 50 0 CFAARN CN(CC[C@@H]1CC1(F)F)Cc1noc(C2CCC2)n1 ZINC000670448115 540997794 /nfs/dbraw/zinc/99/77/94/540997794.db2.gz DJPILVLVBURPTF-SNVBAGLBSA-N 0 0 271.311 2.814 50 0 CFAARN COc1c(C)cc(-c2nc(C)nn2CC(C)(C)O)cc1C ZINC000670448178 540997815 /nfs/dbraw/zinc/99/78/15/540997815.db2.gz WUPMKGGTCAHAGW-UHFFFAOYSA-N 0 0 289.379 2.650 50 0 CFAARN 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/nfs/dbraw/zinc/19/33/94/373193394.db2.gz DISHNFSGTVLVMA-UHFFFAOYSA-N 0 0 284.348 2.694 50 0 CFAARN CC(C)CCc1nc(CSc2nc(N)n[nH]2)cs1 ZINC000049151692 373273759 /nfs/dbraw/zinc/27/37/59/373273759.db2.gz MILDQPFRFBXHLF-UHFFFAOYSA-N 0 0 283.426 2.724 50 0 CFAARN CN(CC1CC1)c1cnn(-c2ccccc2)c(=O)c1Cl ZINC000049236123 373278225 /nfs/dbraw/zinc/27/82/25/373278225.db2.gz CSGDXMYBAHAMMJ-UHFFFAOYSA-N 0 0 289.766 2.732 50 0 CFAARN C[C@@H](C(=O)NCCc1ccc(Cl)s1)n1cccn1 ZINC000049009477 373250333 /nfs/dbraw/zinc/25/03/33/373250333.db2.gz YYDRSHARCYGFJJ-VIFPVBQESA-N 0 0 283.784 2.518 50 0 CFAARN CSc1ccccc1C(=O)NC[C@@H](O)c1ccc(C)o1 ZINC000049026764 373250938 /nfs/dbraw/zinc/25/09/38/373250938.db2.gz MKHBDRXZLUOEFL-GFCCVEGCSA-N 0 0 291.372 2.773 50 0 CFAARN O=C(Nc1nnc(-c2ccsc2)o1)C1CCCC1 ZINC000049029093 373251794 /nfs/dbraw/zinc/25/17/94/373251794.db2.gz DBVAZRUYDMZDOL-UHFFFAOYSA-N 0 0 263.322 2.927 50 0 CFAARN C[C@H](c1cccc(C(F)(F)F)c1)N(CC(N)=O)C1CC1 ZINC000049237349 373278525 /nfs/dbraw/zinc/27/85/25/373278525.db2.gz JQCPEWQJKSDGDO-SECBINFHSA-N 0 0 286.297 2.716 50 0 CFAARN Cc1cc(CNC(=O)N(C)Cc2ccccc2C)no1 ZINC000049051572 373255730 /nfs/dbraw/zinc/25/57/30/373255730.db2.gz SKINFSQGXUTRST-UHFFFAOYSA-N 0 0 273.336 2.633 50 0 CFAARN O=C(N[C@@H]1CCn2nccc2C1)c1cccc2ccccc21 ZINC000245173953 189915679 /nfs/dbraw/zinc/91/56/79/189915679.db2.gz YDRLGTAPCZTHKR-CQSZACIVSA-N 0 0 291.354 2.781 50 0 CFAARN Nc1n[nH]c(SCCCOc2cccc(Cl)c2)n1 ZINC000049372300 373290457 /nfs/dbraw/zinc/29/04/57/373290457.db2.gz RIIDQPAWCROJKX-UHFFFAOYSA-N 0 0 284.772 2.602 50 0 CFAARN Cc1ccccc1OCCNC(=O)c1ccccc1 ZINC000049357250 373291012 /nfs/dbraw/zinc/29/10/12/373291012.db2.gz CHEJMFIUDXBMMS-UHFFFAOYSA-N 0 0 255.317 2.804 50 0 CFAARN Cc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1F ZINC000049398130 373293260 /nfs/dbraw/zinc/29/32/60/373293260.db2.gz XOVVUHKEWIVFND-UHFFFAOYSA-N 0 0 282.315 2.597 50 0 CFAARN Cc1nccn1CCNC(=O)c1ccc(Cl)cc1Cl ZINC000049460988 373299254 /nfs/dbraw/zinc/29/92/54/373299254.db2.gz 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288.234 2.826 50 0 CFAARN CCN(Cc1nc(Cc2ccccc2)no1)[C@@H](C)COC ZINC000052220071 373442482 /nfs/dbraw/zinc/44/24/82/373442482.db2.gz XBCLIPWAEPYYRQ-ZDUSSCGKSA-N 0 0 289.379 2.517 50 0 CFAARN Cc1nn(C(C)C)c(C)c1Nc1ncnc2c1cnn2C ZINC000052473318 373444342 /nfs/dbraw/zinc/44/43/42/373444342.db2.gz LOKCAAHXLQQVQX-UHFFFAOYSA-N 0 0 285.355 2.501 50 0 CFAARN Cc1cc(C)cc(C2(C(=O)N[C@@H](C)Cn3cccn3)CC2)c1 ZINC000052665612 373448118 /nfs/dbraw/zinc/44/81/18/373448118.db2.gz ZKBMYBGYTLUEPN-HNNXBMFYSA-N 0 0 297.402 2.736 50 0 CFAARN CC(C)NC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000052929396 373458354 /nfs/dbraw/zinc/45/83/54/373458354.db2.gz QYHNHKUOTHLNKP-UHFFFAOYSA-N 0 0 289.379 2.843 50 0 CFAARN COc1cc(CNC(=O)C2(c3cccc(C)c3)CC2)ccn1 ZINC000053023612 373461117 /nfs/dbraw/zinc/46/11/17/373461117.db2.gz XEWFBAJUJVZPEG-UHFFFAOYSA-N 0 0 296.370 2.747 50 0 CFAARN Cc1nc2c(cnn2C)c(N(C)CCCc2ccccc2)n1 ZINC000054059486 373495419 /nfs/dbraw/zinc/49/54/19/373495419.db2.gz TWXANQJIWUANJS-UHFFFAOYSA-N 0 0 295.390 2.741 50 0 CFAARN O=C(NCCCOCc1ccco1)c1ccc(F)c(F)c1 ZINC000054228872 373506879 /nfs/dbraw/zinc/50/68/79/373506879.db2.gz NLFYMGGTZPTBCO-UHFFFAOYSA-N 0 0 295.285 2.895 50 0 CFAARN O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000055007109 373532585 /nfs/dbraw/zinc/53/25/85/373532585.db2.gz OFEPCOPVKWNNPY-GWCFXTLKSA-N 0 0 294.782 2.823 50 0 CFAARN Cc1cc(NC(=O)CCCc2nc3ccccc3[nH]2)n[nH]1 ZINC000053833264 373487702 /nfs/dbraw/zinc/48/77/02/373487702.db2.gz BXQYHQNZZGSAQE-UHFFFAOYSA-N 0 0 283.335 2.556 50 0 CFAARN Cc1cc(=O)oc2c1ccc1c2CN(C(C)C)CO1 ZINC000057134923 373579238 /nfs/dbraw/zinc/57/92/38/373579238.db2.gz OMNTWHNECVROIG-UHFFFAOYSA-N 0 0 259.305 2.662 50 0 CFAARN CCCn1cc(NC(=O)Cc2ccc(F)cc2)ccc1=O ZINC000057143657 373579721 /nfs/dbraw/zinc/57/97/21/373579721.db2.gz LGCPIXNVGZTOAN-UHFFFAOYSA-N 0 0 288.322 2.579 50 0 CFAARN CCO[C@H](CC)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000057191727 373581137 /nfs/dbraw/zinc/58/11/37/373581137.db2.gz XOKXNBCOWOHMPH-SMDDNHRTSA-N 0 0 295.379 2.696 50 0 CFAARN Cc1ccc2c(cnn2CCC(=O)N2CCC[C@@H](C)C2)c1 ZINC000057279351 373584213 /nfs/dbraw/zinc/58/42/13/373584213.db2.gz XNVZQSQWWKZHNM-CQSZACIVSA-N 0 0 285.391 2.993 50 0 CFAARN Cc1nn(C)c2ncc(NC(=O)C[C@@H](C)C3CC3)cc12 ZINC000057305004 373586197 /nfs/dbraw/zinc/58/61/97/373586197.db2.gz KJZIXBOOLNIFAH-SECBINFHSA-N 0 0 272.352 2.651 50 0 CFAARN Cc1nn(C)c2c1nc(C1CC1)nc2NCc1cccnc1 ZINC000057356008 373590432 /nfs/dbraw/zinc/59/04/32/373590432.db2.gz WDSRJSWRQGMILG-UHFFFAOYSA-N 0 0 294.362 2.556 50 0 CFAARN CSc1ccc2c(C)cc(NCCNC(C)=O)nc2c1 ZINC000055088220 373539798 /nfs/dbraw/zinc/53/97/98/373539798.db2.gz ISPQTKYNGISAET-UHFFFAOYSA-N 0 0 289.404 2.813 50 0 CFAARN COCCN(C/C=C/c1ccccc1)Cc1cc(C)n[nH]1 ZINC000055197609 373544383 /nfs/dbraw/zinc/54/43/83/373544383.db2.gz UWQWFZVKGFTYKA-RMKNXTFCSA-N 0 0 285.391 2.880 50 0 CFAARN COCCN(C/C=C/c1ccccc1)Cc1ncc[nH]1 ZINC000055198468 373544837 /nfs/dbraw/zinc/54/48/37/373544837.db2.gz KBFGQSSHSJAYNL-VMPITWQZSA-N 0 0 271.364 2.572 50 0 CFAARN Cc1ccc(C)c(OCCN(C)C(=O)c2cnccn2)c1C ZINC000055252388 373546154 /nfs/dbraw/zinc/54/61/54/373546154.db2.gz ARQQJTDDZKACBT-UHFFFAOYSA-N 0 0 299.374 2.553 50 0 CFAARN C[C@]12CC3CC(C(=O)N4CC[C@H](O)C4)(C1)C[C@@](C)(C3)C2 ZINC000055271879 373547476 /nfs/dbraw/zinc/54/74/76/373547476.db2.gz HIYUWYMBXXQDDM-YSXDYPPWSA-N 0 0 277.408 2.576 50 0 CFAARN COC(=O)NCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000055361782 373549342 /nfs/dbraw/zinc/54/93/42/373549342.db2.gz ULZCTIUPZVARPP-UHFFFAOYSA-N 0 0 298.298 2.881 50 0 CFAARN CC[C@H](C)N(Cc1cccnc1)C(=O)c1ncccc1O ZINC000055325662 373549488 /nfs/dbraw/zinc/54/94/88/373549488.db2.gz CXAZTIRYAWOGNA-LBPRGKRZSA-N 0 0 285.347 2.623 50 0 CFAARN CC[C@@H](CO)N(Cc1ccsc1)Cc1cc(C)nn1C ZINC000055369154 373549740 /nfs/dbraw/zinc/54/97/40/373549740.db2.gz NXGPMBDENGBXFW-AWEZNQCLSA-N 0 0 293.436 2.563 50 0 CFAARN COc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1Cl ZINC000055422099 373551105 /nfs/dbraw/zinc/55/11/05/373551105.db2.gz PPBCMOAROPRTEY-JTQLQIEISA-N 0 0 282.771 2.771 50 0 CFAARN CCOC(=O)c1c(/C=C/N(C)C)oc2ccc(O)cc21 ZINC000055543013 373555995 /nfs/dbraw/zinc/55/59/95/373555995.db2.gz YVSCRTZCHATUNQ-BQYQJAHWSA-N 0 0 275.304 2.847 50 0 CFAARN Cc1c(C(=O)Nc2ccccc2O)nnn1-c1ccccc1 ZINC000055482107 373556112 /nfs/dbraw/zinc/55/61/12/373556112.db2.gz GRKILXXLBCGGFH-UHFFFAOYSA-N 0 0 294.314 2.534 50 0 CFAARN CN(C(=O)CSc1ccncc1)C1Cc2ccccc2C1 ZINC000055626818 373557774 /nfs/dbraw/zinc/55/77/74/373557774.db2.gz HPUMHYVLPSFLJF-UHFFFAOYSA-N 0 0 298.411 2.800 50 0 CFAARN Cc1nc(C)c([C@@H](C)NC(=O)c2cccnc2)s1 ZINC000056021536 373560376 /nfs/dbraw/zinc/56/03/76/373560376.db2.gz MUKMFRDSBDRKPO-SECBINFHSA-N 0 0 261.350 2.646 50 0 CFAARN Cc1ncc(CN(C)C(=O)NCc2ccccc2F)s1 ZINC000056330614 373562530 /nfs/dbraw/zinc/56/25/30/373562530.db2.gz KAEBLUVUOYDBSW-UHFFFAOYSA-N 0 0 293.367 2.932 50 0 CFAARN CC(C)Oc1ccccc1CN[C@H](C(N)=O)c1ccccc1 ZINC000056207800 373562597 /nfs/dbraw/zinc/56/25/97/373562597.db2.gz NWLHRUVUVMNLOM-KRWDZBQOSA-N 0 0 298.386 2.790 50 0 CFAARN O=C(Nc1cnn(CCO)c1)Nc1cccc2ccccc21 ZINC000056518143 373564068 /nfs/dbraw/zinc/56/40/68/373564068.db2.gz VXFFIPBKNYLYIV-UHFFFAOYSA-N 0 0 296.330 2.673 50 0 CFAARN COc1c(C)cnc(CNC(=O)/C=C\c2ccco2)c1C ZINC000056659006 373567047 /nfs/dbraw/zinc/56/70/47/373567047.db2.gz JYALFIQMMOZXAW-SREVYHEPSA-N 0 0 286.331 2.630 50 0 CFAARN c1ccc2c(c1)nc(-c1ccncc1)nc2N1CCC1 ZINC000057517019 373595922 /nfs/dbraw/zinc/59/59/22/373595922.db2.gz KOKKZTZXWKRFJD-UHFFFAOYSA-N 0 0 262.316 2.902 50 0 CFAARN Cc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)c(F)c1 ZINC000057535999 373595967 /nfs/dbraw/zinc/59/59/67/373595967.db2.gz QAPHKHBIHJTDGP-UHFFFAOYSA-N 0 0 296.305 2.967 50 0 CFAARN O=C(Nc1cn[nH]c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057029585 373577337 /nfs/dbraw/zinc/57/73/37/373577337.db2.gz RHNXELHTKZXBPK-UHFFFAOYSA-N 0 0 299.309 2.620 50 0 CFAARN Cc1ccc(NC(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000058023038 373622365 /nfs/dbraw/zinc/62/23/65/373622365.db2.gz GFXUUNXCRHGQCZ-GFCCVEGCSA-N 0 0 289.379 2.564 50 0 CFAARN Cc1noc([C@H](C)NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000058136296 373627776 /nfs/dbraw/zinc/62/77/76/373627776.db2.gz DUXAHHDGIYKSDT-ZETCQYMHSA-N 0 0 280.715 2.914 50 0 CFAARN CCCCn1cc(C(=O)c2cc(C)ccc2O)cn1 ZINC000058167212 373628703 /nfs/dbraw/zinc/62/87/03/373628703.db2.gz FAGAQVABNMMCJL-UHFFFAOYSA-N 0 0 258.321 2.928 50 0 CFAARN CC(C)(C)n1c(NC(=O)c2ccncc2)nc2ccccc21 ZINC000058202817 373631260 /nfs/dbraw/zinc/63/12/60/373631260.db2.gz JTQCAJMJWSVUFD-UHFFFAOYSA-N 0 0 294.358 2.861 50 0 CFAARN COc1c(C)cnc(CN(C)C(=O)C2CCCC2)c1C ZINC000058201301 373632199 /nfs/dbraw/zinc/63/21/99/373632199.db2.gz QMLHRBGQLPXFNB-UHFFFAOYSA-N 0 0 276.380 2.856 50 0 CFAARN Cc1noc(C)c1[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000058249035 373636770 /nfs/dbraw/zinc/63/67/70/373636770.db2.gz SXFGXUPKBYWXDP-SNVBAGLBSA-N 0 0 250.342 2.653 50 0 CFAARN CCCN(CCc1ccccn1)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000058265364 373639083 /nfs/dbraw/zinc/63/90/83/373639083.db2.gz QXRLMPIKZXLWMR-UHFFFAOYSA-N 0 0 299.374 2.707 50 0 CFAARN 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130792275 /nfs/dbraw/zinc/79/22/75/130792275.db2.gz LKUHUPUCNVILIH-AWEZNQCLSA-N 0 0 266.344 2.986 50 0 CFAARN C[C@@H](NCc1cncn1C)c1nc(C2CCCCC2)no1 ZINC000237365615 131026319 /nfs/dbraw/zinc/02/63/19/131026319.db2.gz PSOXJCXCPXUNRX-LLVKDONJSA-N 0 0 289.383 2.702 50 0 CFAARN O=C(NCCCc1ccccc1)N1CCCC[C@@H]1CCO ZINC000244401206 131083870 /nfs/dbraw/zinc/08/38/70/131083870.db2.gz YKLHWQIAYRPSGP-MRXNPFEDSA-N 0 0 290.407 2.566 50 0 CFAARN CCCCNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000248269374 131113805 /nfs/dbraw/zinc/11/38/05/131113805.db2.gz YXSDVNUVXTVFPA-HNNXBMFYSA-N 0 0 277.364 2.774 50 0 CFAARN C[C@H](Sc1nncs1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000251598000 131130431 /nfs/dbraw/zinc/13/04/31/131130431.db2.gz BOGLQABICGZLGB-UTLUCORTSA-N 0 0 285.438 2.714 50 0 CFAARN Cc1cc2c(cc1C)C(N1CCOCC1)=NC(C)(C)C2 ZINC000005541713 292001444 /nfs/dbraw/zinc/00/14/44/292001444.db2.gz WWZHIFPQMCFCIK-UHFFFAOYSA-N 0 0 272.392 2.717 50 0 CFAARN COCc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](C)N2 ZINC000095471691 285513624 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ZINC000040089041 174188592 /nfs/dbraw/zinc/18/85/92/174188592.db2.gz IFCZCVOKPGXXMG-QGZVFWFLSA-N 0 0 299.370 2.775 50 0 CFAARN O=C(NCCOc1cccc(F)c1)C1CCCC1 ZINC000040089136 174188677 /nfs/dbraw/zinc/18/86/77/174188677.db2.gz LRGTVJVZROJHFE-UHFFFAOYSA-N 0 0 251.301 2.511 50 0 CFAARN Cc1ccc([C@H](O)CNC(=O)C2CCCCC2)cc1 ZINC000040089558 174188909 /nfs/dbraw/zinc/18/89/09/174188909.db2.gz PLOOEUOMIRRAII-OAHLLOKOSA-N 0 0 261.365 2.725 50 0 CFAARN CNC(=O)Cc1ccccc1NC(=O)/C=C/c1ccccc1 ZINC000040090362 174189272 /nfs/dbraw/zinc/18/92/72/174189272.db2.gz ITZRNEGDIDPTQK-VAWYXSNFSA-N 0 0 294.354 2.627 50 0 CFAARN Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1 ZINC000040092870 174189358 /nfs/dbraw/zinc/18/93/58/174189358.db2.gz XDRAHQLWGZYHNS-VIFPVBQESA-N 0 0 261.243 2.901 50 0 CFAARN COc1ccccc1NC(=O)c1ccc(Cn2cccn2)o1 ZINC000040092135 174189526 /nfs/dbraw/zinc/18/95/26/174189526.db2.gz JZDWHYKLOAYZHO-UHFFFAOYSA-N 0 0 297.314 2.785 50 0 CFAARN CS[C@@H](C)C(=O)N(C)CCCOc1ccc(F)cc1 ZINC000040094110 174190128 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276.365 2.604 50 0 CFAARN CC[C@@H](C)NC(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000002796642 371755352 /nfs/dbraw/zinc/75/53/52/371755352.db2.gz NIFMUCVVMWRSAF-MRVPVSSYSA-N 0 0 273.279 2.825 50 0 CFAARN CC(C)CCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000002831874 371757685 /nfs/dbraw/zinc/75/76/85/371757685.db2.gz GTOFGNOMRUHITA-GQCTYLIASA-N 0 0 261.321 2.591 50 0 CFAARN CCN(CC)C(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000002838017 371759577 /nfs/dbraw/zinc/75/95/77/371759577.db2.gz FBELBXFMHVSKHC-UHFFFAOYSA-N 0 0 289.162 2.800 50 0 CFAARN CCOC(=O)CNC(=O)c1cc2c(s1)CC[C@H](CC)C2 ZINC000002872749 371761386 /nfs/dbraw/zinc/76/13/86/371761386.db2.gz GIWXAKKCVRVFKI-JTQLQIEISA-N 0 0 295.404 2.556 50 0 CFAARN COc1cnn(-c2cccc(Cl)c2)c(=O)c1Cl ZINC000002875088 371761712 /nfs/dbraw/zinc/76/17/12/371761712.db2.gz FBHXHSRAOHUFMI-UHFFFAOYSA-N 0 0 271.103 2.548 50 0 CFAARN C[C@@]1(C(=O)Nc2ccc3c(c2)OCO3)CC1(Cl)Cl ZINC000002872649 371761794 /nfs/dbraw/zinc/76/17/94/371761794.db2.gz SOWXGSMJCJIUJC-NSHDSACASA-N 0 0 288.130 2.938 50 0 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371779728 /nfs/dbraw/zinc/77/97/28/371779728.db2.gz JBZQYPOCBCNVFX-UHFFFAOYSA-N 0 0 280.371 2.578 50 0 CFAARN Nc1nnc(SCC(=O)c2ccccc2Cl)s1 ZINC000003224233 371780675 /nfs/dbraw/zinc/78/06/75/371780675.db2.gz SDVVKZCVNICXTF-UHFFFAOYSA-N 0 0 285.781 2.749 50 0 CFAARN Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1O ZINC000003218235 371780853 /nfs/dbraw/zinc/78/08/53/371780853.db2.gz HVDNNZACKSNDBV-UHFFFAOYSA-N 0 0 299.326 2.805 50 0 CFAARN Cc1ccc(NC(=O)COC(=O)[C@H]2C[C@@H]2C)cc1Cl ZINC000003219412 371781240 /nfs/dbraw/zinc/78/12/40/371781240.db2.gz QONRZQVDQCUACU-ONGXEEELSA-N 0 0 281.739 2.786 50 0 CFAARN Cc1cnc(NC(=O)c2ccc(F)cc2F)s1 ZINC000003334270 371793474 /nfs/dbraw/zinc/79/34/74/371793474.db2.gz UYAUZBAITYFSQK-UHFFFAOYSA-N 0 0 254.261 2.982 50 0 CFAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000003259428 371784995 /nfs/dbraw/zinc/78/49/95/371784995.db2.gz ULMHLCMNPIBZPK-UHFFFAOYSA-N 0 0 289.347 2.918 50 0 CFAARN Cc1ccsc1C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C ZINC000003317369 371791019 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ZINC000071796168 176264345 /nfs/dbraw/zinc/26/43/45/176264345.db2.gz HBHRLMDBJBGOQH-INIZCTEOSA-N 0 0 282.347 2.711 50 0 CFAARN COc1ccc(CN(C)[C@@H](C)c2nc(C)no2)c(OC)c1 ZINC000071794954 176264441 /nfs/dbraw/zinc/26/44/41/176264441.db2.gz ZQHBTKUKXUSPLG-JTQLQIEISA-N 0 0 291.351 2.588 50 0 CFAARN Cc1nc(CSc2n[nH]c(-c3cccnc3)n2)oc1C ZINC000071795744 176264727 /nfs/dbraw/zinc/26/47/27/176264727.db2.gz PUNALDXRFLMMTP-UHFFFAOYSA-N 0 0 287.348 2.764 50 0 CFAARN O=C(Nc1ccc(Cl)nc1)c1cccc2c1OCCO2 ZINC000071803700 176266471 /nfs/dbraw/zinc/26/64/71/176266471.db2.gz YUTVQNXXBARICC-UHFFFAOYSA-N 0 0 290.706 2.759 50 0 CFAARN C[C@H](NC(=O)Nc1cccc2[nH]ccc21)[C@@H]1CCCO1 ZINC000071803367 176266710 /nfs/dbraw/zinc/26/67/10/176266710.db2.gz WFWWLXAXJHRRRQ-HZMBPMFUSA-N 0 0 273.336 2.857 50 0 CFAARN CCc1ccc([C@H](C)NC(=O)c2cc(C)nn2C)cc1 ZINC000071817179 176269569 /nfs/dbraw/zinc/26/95/69/176269569.db2.gz KCEWCBHOHBCKLA-LBPRGKRZSA-N 0 0 271.364 2.782 50 0 CFAARN C[C@@H]1Cc2ccccc2N1Cc1nnc(C2CC2)o1 ZINC000071825433 176271950 /nfs/dbraw/zinc/27/19/50/176271950.db2.gz AKYREGKDPGPSAI-SNVBAGLBSA-N 0 0 255.321 2.898 50 0 CFAARN Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H]2c2ccncc2)n1 ZINC000071828381 176272306 /nfs/dbraw/zinc/27/23/06/176272306.db2.gz NKNJDPOGBXODTD-ZBFHGGJFSA-N 0 0 298.390 2.820 50 0 CFAARN CCc1cc(=O)n2nc(N[C@@H](C)[C@@H](C)CC)sc2n1 ZINC000071833148 176273438 /nfs/dbraw/zinc/27/34/38/176273438.db2.gz CVDDUZITNIYVBY-IUCAKERBSA-N 0 0 280.397 2.560 50 0 CFAARN O=C(N[C@H]1CCC[C@H]1n1ccnc1)C1CCCCC1 ZINC000071843156 176275294 /nfs/dbraw/zinc/27/52/94/176275294.db2.gz YZDOLTNTFDRBKZ-UONOGXRCSA-N 0 0 261.369 2.673 50 0 CFAARN COc1ccc(C2(C(=O)NCc3cc[nH]n3)CCCC2)cc1 ZINC000071844163 176275338 /nfs/dbraw/zinc/27/53/38/176275338.db2.gz JYVMHIXKNVYMAD-UHFFFAOYSA-N 0 0 299.374 2.547 50 0 CFAARN Cc1ccc(S[C@H](C)C(=O)NCC(C)C)nc1 ZINC000071855606 176278284 /nfs/dbraw/zinc/27/82/84/176278284.db2.gz ZZZOAXFRIGMSPV-LLVKDONJSA-N 0 0 252.383 2.643 50 0 CFAARN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCOCC1 ZINC000071856565 176278747 /nfs/dbraw/zinc/27/87/47/176278747.db2.gz CHQCLNDCLPPJDG-OAHLLOKOSA-N 0 0 292.354 2.709 50 0 CFAARN CSc1ncccc1C(=O)OCCCc1cccnc1 ZINC000071862946 176280700 /nfs/dbraw/zinc/28/07/00/176280700.db2.gz CJWWSAKARYKOSE-UHFFFAOYSA-N 0 0 288.372 2.988 50 0 CFAARN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COc2ccccc2O1 ZINC000022690846 287315738 /nfs/dbraw/zinc/31/57/38/287315738.db2.gz BFQFSESGDPWACH-JMSVASOKSA-N 0 0 275.348 2.521 50 0 CFAARN CC(C)c1nccn1[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000071870857 176283635 /nfs/dbraw/zinc/28/36/35/176283635.db2.gz FOHAFWLAFQWAGV-CYBMUJFWSA-N 0 0 286.379 2.812 50 0 CFAARN CCOc1ncccc1C(=O)OCCCc1ccncc1 ZINC000071872168 176284307 /nfs/dbraw/zinc/28/43/07/176284307.db2.gz QNOGKDXIAWYCJH-UHFFFAOYSA-N 0 0 286.331 2.665 50 0 CFAARN CC(C)(C)OC(=O)CSc1nncn1-c1ccccc1 ZINC000071877670 176286247 /nfs/dbraw/zinc/28/62/47/176286247.db2.gz KOIBJTRPNKZXES-UHFFFAOYSA-N 0 0 291.376 2.701 50 0 CFAARN c1cnn(C2CN(Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000071879037 176287298 /nfs/dbraw/zinc/28/72/98/176287298.db2.gz ORLNKRUJETVWJC-UHFFFAOYSA-N 0 0 280.331 2.595 50 0 CFAARN O=C(Cc1c[nH]c2cc(Cl)ccc12)O[C@@H]1CCOC1 ZINC000071883870 176289209 /nfs/dbraw/zinc/28/92/09/176289209.db2.gz HXUOSXYCOBKHAE-LLVKDONJSA-N 0 0 279.723 2.696 50 0 CFAARN Cc1noc(C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000071890017 176290763 /nfs/dbraw/zinc/29/07/63/176290763.db2.gz AEMIQLYWDAFDNG-UHFFFAOYSA-N 0 0 262.284 2.614 50 0 CFAARN CC(=O)Cc1nsc(N(C)C(=O)CC2CCCCC2)n1 ZINC000071893513 176291830 /nfs/dbraw/zinc/29/18/30/176291830.db2.gz GJQLJRYEXYFWKD-UHFFFAOYSA-N 0 0 295.408 2.603 50 0 CFAARN O=C(NCCCNc1cccc(F)n1)c1ccc(F)cc1 ZINC000071894511 176292059 /nfs/dbraw/zinc/29/20/59/176292059.db2.gz LVCZUHOSDFUISZ-UHFFFAOYSA-N 0 0 291.301 2.592 50 0 CFAARN CCS[C@@H]1CCCCN(C(=O)c2cc(C(C)=O)c[nH]2)C1 ZINC000071899427 176293343 /nfs/dbraw/zinc/29/33/43/176293343.db2.gz DPLLTRXVJAWSQP-CYBMUJFWSA-N 0 0 294.420 2.965 50 0 CFAARN C[C@H](N[C@H]1CCOC1=O)c1nc(-c2ccccc2)cs1 ZINC000071902705 176294420 /nfs/dbraw/zinc/29/44/20/176294420.db2.gz CXOZZZACVPMCDP-JQWIXIFHSA-N 0 0 288.372 2.776 50 0 CFAARN CC(C)OC(=O)N1CCC(Nc2cccc(F)n2)CC1 ZINC000071903146 176294636 /nfs/dbraw/zinc/29/46/36/176294636.db2.gz STELRBAUKIRSOT-UHFFFAOYSA-N 0 0 281.331 2.642 50 0 CFAARN COCCN(Cc1ccccn1)C(=O)c1cccc(C)c1C ZINC000071903825 176294964 /nfs/dbraw/zinc/29/49/64/176294964.db2.gz HYZLTAIICSCHON-UHFFFAOYSA-N 0 0 298.386 2.987 50 0 CFAARN CCOCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 ZINC000071904508 176295562 /nfs/dbraw/zinc/29/55/62/176295562.db2.gz ACQYVFSEYJJSPZ-HNNXBMFYSA-N 0 0 261.365 2.565 50 0 CFAARN C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)Cc1cccc(O)c1 ZINC000071904778 176295626 /nfs/dbraw/zinc/29/56/26/176295626.db2.gz CEMUAYFMNKFWBW-CJNGLKHVSA-N 0 0 291.391 2.946 50 0 CFAARN CC[C@H](C)NC(=O)NCCCOC1CCCCC1 ZINC000071912612 176298166 /nfs/dbraw/zinc/29/81/66/176298166.db2.gz NAASVGXWVAAQDS-LBPRGKRZSA-N 0 0 256.390 2.824 50 0 CFAARN CCO[C@@H](C)c1noc(COc2ccc(C=O)cc2)n1 ZINC000071914705 176298487 /nfs/dbraw/zinc/29/84/87/176298487.db2.gz GCBJBJPESQEGBZ-JTQLQIEISA-N 0 0 276.292 2.559 50 0 CFAARN COC(=O)c1cc(CN(C)[C@H](C)c2cccnc2)oc1C ZINC000071915616 176299461 /nfs/dbraw/zinc/29/94/61/176299461.db2.gz QHFYQRXEKNWZNZ-LLVKDONJSA-N 0 0 288.347 2.963 50 0 CFAARN O=C(C[C@@H]1CCCO1)OC[C@@H]1CCN(c2ccccc2)C1 ZINC000071920405 176300294 /nfs/dbraw/zinc/30/02/94/176300294.db2.gz UFAUOOMKWCKKOD-ZBFHGGJFSA-N 0 0 289.375 2.625 50 0 CFAARN COCCOC[C@@H](OC(=O)c1ccoc1)C(C)(C)C ZINC000071920411 176300666 /nfs/dbraw/zinc/30/06/66/176300666.db2.gz GBVUXRSJGRAYGU-GFCCVEGCSA-N 0 0 270.325 2.514 50 0 CFAARN Cc1cc(N[C@H]2CCCC[C@H]2CO)nc(-c2ccncc2)n1 ZINC000071920577 176300675 /nfs/dbraw/zinc/30/06/75/176300675.db2.gz QFXDTRXWBBVDBH-GJZGRUSLSA-N 0 0 298.390 2.810 50 0 CFAARN CCOc1ccc(NC(=O)NC2CCC(O)CC2)c(C)c1 ZINC000071944461 176303099 /nfs/dbraw/zinc/30/30/99/176303099.db2.gz CBZZBYPDSUJDEQ-UHFFFAOYSA-N 0 0 292.379 2.819 50 0 CFAARN Cc1nnc(SC[C@H](O)c2c(F)cccc2F)s1 ZINC000071948560 176303858 /nfs/dbraw/zinc/30/38/58/176303858.db2.gz MRXFGYNTQRZDET-VIFPVBQESA-N 0 0 288.344 2.950 50 0 CFAARN Cc1oc(-c2cccs2)nc1CS[C@H](C)C(N)=O ZINC000071996310 176308279 /nfs/dbraw/zinc/30/82/79/176308279.db2.gz OUPXJWKGISFBQL-MRVPVSSYSA-N 0 0 282.390 2.819 50 0 CFAARN CCN(CC)C(=O)N[C@@H](C)COc1ccc(F)cc1F ZINC000072026188 176309417 /nfs/dbraw/zinc/30/94/17/176309417.db2.gz FZCQJRMMMJJCTR-JTQLQIEISA-N 0 0 286.322 2.784 50 0 CFAARN CCOc1ccc(NC(=O)CNC(=O)CCC(C)C)cc1 ZINC000072036948 176309994 /nfs/dbraw/zinc/30/99/94/176309994.db2.gz SCAWBTDFJBFHCL-UHFFFAOYSA-N 0 0 292.379 2.576 50 0 CFAARN Cc1cccc([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C(C)C)c1 ZINC000072115722 176318321 /nfs/dbraw/zinc/31/83/21/176318321.db2.gz VPRGGNKRIPTLFG-LBPRGKRZSA-N 0 0 285.347 2.952 50 0 CFAARN COc1cccc(OCCNC(=O)c2ccccc2)c1 ZINC000072119339 176319684 /nfs/dbraw/zinc/31/96/84/176319684.db2.gz DVJQPNXAUNWGLJ-UHFFFAOYSA-N 0 0 271.316 2.504 50 0 CFAARN c1cc2ccc(NCCCc3nnc4ccccn43)nc2[nH]1 ZINC000072127271 176320819 /nfs/dbraw/zinc/32/08/19/176320819.db2.gz VYHUSWUNIRHCHM-UHFFFAOYSA-N 0 0 292.346 2.650 50 0 CFAARN C[C@H](Nc1ccc2cc[nH]c2n1)c1cn2ncsc2n1 ZINC000072134286 176321593 /nfs/dbraw/zinc/32/15/93/176321593.db2.gz WWJSIJLZRPOOIB-QMMMGPOBSA-N 0 0 284.348 2.840 50 0 CFAARN O=C(c1ccc2[nH]ccc2c1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000072147832 176325920 /nfs/dbraw/zinc/32/59/20/176325920.db2.gz QJADQYKCIYVQDY-GFCCVEGCSA-N 0 0 298.264 2.571 50 0 CFAARN Cc1ncc(CN(C)Cc2ccc(-n3cccn3)cc2)n1C ZINC000072154395 176328279 /nfs/dbraw/zinc/32/82/79/176328279.db2.gz DVUPTAXTKBXIBL-UHFFFAOYSA-N 0 0 295.390 2.546 50 0 CFAARN Cc1nc2c(cnn2C)c(NCC2=CCCCC2)n1 ZINC000072164061 176330399 /nfs/dbraw/zinc/33/03/99/176330399.db2.gz PUGVHZLZLUWYHC-UHFFFAOYSA-N 0 0 257.341 2.584 50 0 CFAARN Cn1ccc2c1nccc2-c1cc(C(=O)NC2CC2)ccn1 ZINC000072163555 176330463 /nfs/dbraw/zinc/33/04/63/176330463.db2.gz NSVFQMGNEITKMA-UHFFFAOYSA-N 0 0 292.342 2.528 50 0 CFAARN Cc1nn(C)c(C)c1CN1CC(Oc2cccc(C)c2)C1 ZINC000072164410 176330672 /nfs/dbraw/zinc/33/06/72/176330672.db2.gz ZWDLMPPAOPGUFJ-UHFFFAOYSA-N 0 0 285.391 2.609 50 0 CFAARN Cc1cccc2c1cnn2CCCNC(=O)c1ccccn1 ZINC000072239542 176347659 /nfs/dbraw/zinc/34/76/59/176347659.db2.gz PKEYVYPORGQNCQ-UHFFFAOYSA-N 0 0 294.358 2.560 50 0 CFAARN COc1cc(C(=O)NCc2ccccn2)cc2occc21 ZINC000072240071 176347970 /nfs/dbraw/zinc/34/79/70/176347970.db2.gz ZYKMQOWLLCLSTI-UHFFFAOYSA-N 0 0 282.299 2.766 50 0 CFAARN Cc1ccc(-c2snnc2C(=O)NCC(C)C)cc1 ZINC000072240045 176348120 /nfs/dbraw/zinc/34/81/20/176348120.db2.gz JPJLPGGOZZIQOR-UHFFFAOYSA-N 0 0 275.377 2.899 50 0 CFAARN CCn1nc(C)c(CCC(=O)NCCc2ccccc2)c1C ZINC000072240503 176348245 /nfs/dbraw/zinc/34/82/45/176348245.db2.gz QOJIBZPEBGPPAY-UHFFFAOYSA-N 0 0 299.418 2.811 50 0 CFAARN CCn1nc(C)c(CCC(=O)Nc2ccc(C)cn2)c1C ZINC000072240480 176348397 /nfs/dbraw/zinc/34/83/97/176348397.db2.gz SFEVKSHFSVQCPP-UHFFFAOYSA-N 0 0 286.379 2.795 50 0 CFAARN Cc1cc(C)c(C(=O)Nc2ccc3c(c2)CCCO3)c(=O)[nH]1 ZINC000072240552 176348524 /nfs/dbraw/zinc/34/85/24/176348524.db2.gz XIYDRTRILKRDDI-UHFFFAOYSA-N 0 0 298.342 2.569 50 0 CFAARN CC(C)(C)[C@@H](O)CCNC(=O)c1cccc(Cl)c1 ZINC000072242724 176349291 /nfs/dbraw/zinc/34/92/91/176349291.db2.gz QATAVFRPXDRGMB-LBPRGKRZSA-N 0 0 269.772 2.867 50 0 CFAARN Cc1cc(-c2ccc(C(=O)NCC(C)C)s2)c[nH]c1=O ZINC000072243436 176349552 /nfs/dbraw/zinc/34/95/52/176349552.db2.gz DXRHUJGYBUKMEF-UHFFFAOYSA-N 0 0 290.388 2.798 50 0 CFAARN O=C(CCc1cccs1)NCC[C@H](O)c1ccccc1 ZINC000072259939 176351308 /nfs/dbraw/zinc/35/13/08/176351308.db2.gz UEFJLGGTGHHSJY-HNNXBMFYSA-N 0 0 289.400 2.921 50 0 CFAARN CCc1ncc2c(n1)CN(Cc1nc3ccccc3o1)CC2 ZINC000072268433 176353208 /nfs/dbraw/zinc/35/32/08/176353208.db2.gz LTBRYZBNSIXDLE-UHFFFAOYSA-N 0 0 294.358 2.739 50 0 CFAARN Cc1ccc(-c2cc(C(=O)NCc3ccoc3)[nH]n2)s1 ZINC000072271174 176354472 /nfs/dbraw/zinc/35/44/72/176354472.db2.gz YLDDZQSOGLGISM-UHFFFAOYSA-N 0 0 287.344 2.970 50 0 CFAARN O=C(CCc1ccc2ccccc2c1)NCc1ncc[nH]1 ZINC000072283645 176359438 /nfs/dbraw/zinc/35/94/38/176359438.db2.gz TZXWPLDVYKZCBV-UHFFFAOYSA-N 0 0 279.343 2.812 50 0 CFAARN O=C(CCOc1ccccc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072282699 176359491 /nfs/dbraw/zinc/35/94/91/176359491.db2.gz GZQJJSVAFQUFKA-CQSZACIVSA-N 0 0 299.374 2.585 50 0 CFAARN CC[C@H](Sc1ncc(C(C)C)n1C(C)C)C(N)=O ZINC000072292151 176361882 /nfs/dbraw/zinc/36/18/82/176361882.db2.gz OLPCUJQACCJZLI-NSHDSACASA-N 0 0 269.414 2.943 50 0 CFAARN Cc1ncc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)s1 ZINC000072291809 176362262 /nfs/dbraw/zinc/36/22/62/176362262.db2.gz SLXZXCAUSIKIME-VIFPVBQESA-N 0 0 270.398 2.614 50 0 CFAARN Cc1ncn(CCOc2ccc3c(C)cc(=O)oc3c2)c1C ZINC000072293940 176363141 /nfs/dbraw/zinc/36/31/41/176363141.db2.gz YJMBHXOZSFOBGP-UHFFFAOYSA-N 0 0 298.342 2.994 50 0 CFAARN Cc1cnc(NC(=O)NC[C@@](C)(O)c2ccsc2)s1 ZINC000072294033 176363162 /nfs/dbraw/zinc/36/31/62/176363162.db2.gz QZXWLDCJGZNLKT-GFCCVEGCSA-N 0 0 297.405 2.542 50 0 CFAARN COc1cccc(CN(C)C(=O)[C@@H]2Cc3ccccc32)c1 ZINC000072296548 176363617 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Cc1nc(-c2nn3c(nnc3-c3ccccc3)s2)co1 ZINC000049544735 373307821 /nfs/dbraw/zinc/30/78/21/373307821.db2.gz QYARSBGKTQTZBN-UHFFFAOYSA-N 0 0 283.316 2.816 50 0 CFAARN O=C(NCC1(CO)CC1)C1(c2cccs2)CCCCC1 ZINC000049524488 373308890 /nfs/dbraw/zinc/30/88/90/373308890.db2.gz HHEBNWRWNRREQF-UHFFFAOYSA-N 0 0 293.432 2.839 50 0 CFAARN Cc1sc2nc(C)n3nc(-c4cnccn4)nc3c2c1C ZINC000049550139 373310170 /nfs/dbraw/zinc/31/01/70/373310170.db2.gz NSDPZAFXZYFWNJ-UHFFFAOYSA-N 0 0 296.359 2.721 50 0 CFAARN COC(=O)N(C)CC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000049621185 373312673 /nfs/dbraw/zinc/31/26/73/373312673.db2.gz WXBKYRFJXXGLKM-UHFFFAOYSA-N 0 0 298.342 2.575 50 0 CFAARN Cc1ccc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1C ZINC000049275648 373283634 /nfs/dbraw/zinc/28/36/34/373283634.db2.gz DZFDLZOPIMPTOX-ZFWWWQNUSA-N 0 0 277.364 2.826 50 0 CFAARN CC[C@H](Nc1ncnc2nc[nH]c21)c1ccccc1 ZINC000050197571 373363675 /nfs/dbraw/zinc/36/36/75/373363675.db2.gz RVHSEXOWWRYORG-NSHDSACASA-N 0 0 253.309 2.916 50 0 CFAARN 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CCn1c(CNCc2ccc(OC)nc2)nc2ccccc21 ZINC000054041339 373492016 /nfs/dbraw/zinc/49/20/16/373492016.db2.gz CLWHWTSDQQWZTB-UHFFFAOYSA-N 0 0 296.374 2.750 50 0 CFAARN Cc1ccccc1C(=O)NCCCOCc1ccco1 ZINC000054227026 373507037 /nfs/dbraw/zinc/50/70/37/373507037.db2.gz AUYQQZYZKUJSSE-UHFFFAOYSA-N 0 0 273.332 2.925 50 0 CFAARN Fc1ccccc1N1CCN(Cc2ccccn2)CC1 ZINC000054275893 373509329 /nfs/dbraw/zinc/50/93/29/373509329.db2.gz BWGWYVDWEZNKKF-UHFFFAOYSA-N 0 0 271.339 2.543 50 0 CFAARN CCCCCOc1cc(C)c(Cl)cc1S(N)(=O)=O ZINC000054363318 373523264 /nfs/dbraw/zinc/52/32/64/373523264.db2.gz LDYDZYZQKAIWCG-UHFFFAOYSA-N 0 0 291.800 2.865 50 0 CFAARN Nc1cc(F)ccc1-c1nc(-c2cccs2)n[nH]1 ZINC000054700199 373527970 /nfs/dbraw/zinc/52/79/70/373527970.db2.gz BJWULSCISBLQSR-UHFFFAOYSA-N 0 0 260.297 2.922 50 0 CFAARN O=C(NCc1ccccn1)NCC1(c2ccccc2)CC1 ZINC000054926456 373532692 /nfs/dbraw/zinc/53/26/92/373532692.db2.gz WJECIOSYVGTOPA-UHFFFAOYSA-N 0 0 281.359 2.613 50 0 CFAARN Cc1cc(C(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)no1 ZINC000053641289 373483718 /nfs/dbraw/zinc/48/37/18/373483718.db2.gz AYQYEGIFPDPDRJ-SKDRFNHKSA-N 0 0 274.320 2.972 50 0 CFAARN CCc1nc(CN2CCC(c3nc(C)no3)CC2)cs1 ZINC000053639421 373484191 /nfs/dbraw/zinc/48/41/91/373484191.db2.gz XMZNLCDFNGUBJX-UHFFFAOYSA-N 0 0 292.408 2.777 50 0 CFAARN CCN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000057122052 373579870 /nfs/dbraw/zinc/57/98/70/373579870.db2.gz ZOCFDPXVIYLYCH-UHFFFAOYSA-N 0 0 291.782 2.599 50 0 CFAARN O=C(NCC1CC1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000057188032 373581796 /nfs/dbraw/zinc/58/17/96/373581796.db2.gz MJRGGTZFINQMRF-CABCVRRESA-N 0 0 292.354 2.755 50 0 CFAARN Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c(C)c1 ZINC000057531683 373596761 /nfs/dbraw/zinc/59/67/61/373596761.db2.gz VFRXOGDTURMJKE-UHFFFAOYSA-N 0 0 296.326 2.887 50 0 CFAARN Cc1ccc(C(=O)Nc2cc(C(N)=O)ccc2Cl)cc1 ZINC000057291724 373586011 /nfs/dbraw/zinc/58/60/11/373586011.db2.gz BEXPUYOUZDPVPV-UHFFFAOYSA-N 0 0 288.734 3.000 50 0 CFAARN CCC(=O)Nc1ccc(-c2cnc(CN(C)C)o2)cc1 ZINC000057355774 373589134 /nfs/dbraw/zinc/58/91/34/373589134.db2.gz XVPRMEDHDRANKW-UHFFFAOYSA-N 0 0 273.336 2.752 50 0 CFAARN CC[C@@H](C)N(Cc1cc(C)nn1C)Cc1ccncc1 ZINC000055090528 373540043 /nfs/dbraw/zinc/54/00/43/373540043.db2.gz GZKCXGXYCQDERK-CQSZACIVSA-N 0 0 272.396 2.924 50 0 CFAARN CCC1(CNC(=O)Nc2nc(C)ns2)CCC1 ZINC000055197216 373544651 /nfs/dbraw/zinc/54/46/51/373544651.db2.gz ZBNZIGJHLULABQ-UHFFFAOYSA-N 0 0 254.359 2.548 50 0 CFAARN CCc1ccc(CN(Cc2ccccn2)[C@@H](CC)CO)nc1 ZINC000055283910 373547071 /nfs/dbraw/zinc/54/70/71/373547071.db2.gz ISLFXDADBFEGOX-SFHVURJKSA-N 0 0 299.418 2.812 50 0 CFAARN Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccoc2)c1 ZINC000055327484 373549140 /nfs/dbraw/zinc/54/91/40/373549140.db2.gz VMPGOEDGSFXEDL-CYBMUJFWSA-N 0 0 273.332 2.980 50 0 CFAARN CCCCOCC(=O)N(CCOC)Cc1cccs1 ZINC000055344726 373550252 /nfs/dbraw/zinc/55/02/52/373550252.db2.gz ZCXDVUKQXRWLOW-UHFFFAOYSA-N 0 0 285.409 2.540 50 0 CFAARN CC[C@@H](C)N(Cc1cccnc1)C(=O)c1ncccc1O ZINC000055325659 373550311 /nfs/dbraw/zinc/55/03/11/373550311.db2.gz CXAZTIRYAWOGNA-GFCCVEGCSA-N 0 0 285.347 2.623 50 0 CFAARN c1cn(CCCN(Cc2ccoc2)Cc2cccnc2)cn1 ZINC000055393424 373551984 /nfs/dbraw/zinc/55/19/84/373551984.db2.gz GFTAVVUIEDFBNX-UHFFFAOYSA-N 0 0 296.374 2.964 50 0 CFAARN CN(C(=O)CCCNC(=O)C(C)(C)C)c1ccccc1 ZINC000055527198 373556467 /nfs/dbraw/zinc/55/64/67/373556467.db2.gz CNEXIGKCBSCIGE-UHFFFAOYSA-N 0 0 276.380 2.592 50 0 CFAARN C[C@H]1CCCC[C@@H]1NC(=O)CCCNC(=O)C(C)(C)C ZINC000055527689 373556856 /nfs/dbraw/zinc/55/68/56/373556856.db2.gz KMTQSTBGWUQSCM-STQMWFEESA-N 0 0 282.428 2.624 50 0 CFAARN CS[C@H](C)C(=O)N(Cc1ccccn1)C(C)C ZINC000055739249 373558184 /nfs/dbraw/zinc/55/81/84/373558184.db2.gz KVRMNXKOASMFDV-LLVKDONJSA-N 0 0 252.383 2.570 50 0 CFAARN COC(=O)N(C)c1ccc(NC(=O)C2CCC2)cc1 ZINC000056448413 373565117 /nfs/dbraw/zinc/56/51/17/373565117.db2.gz ZXEKYXANVTWJOR-UHFFFAOYSA-N 0 0 262.309 2.628 50 0 CFAARN CCCCCNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000057511344 373596123 /nfs/dbraw/zinc/59/61/23/373596123.db2.gz MPBDTOFBDZBZSN-UHFFFAOYSA-N 0 0 292.770 2.841 50 0 CFAARN CN(Cc1ccncc1)C(=O)Nc1ccccc1F ZINC000057529812 373596218 /nfs/dbraw/zinc/59/62/18/373596218.db2.gz YAQMPOQOUXWRRX-UHFFFAOYSA-N 0 0 259.284 2.885 50 0 CFAARN Cc1cccnc1NC(=O)c1n[nH]c2ccccc21 ZINC000057529659 373596223 /nfs/dbraw/zinc/59/62/23/373596223.db2.gz ZVPRRYLHCTXPGN-UHFFFAOYSA-N 0 0 252.277 2.519 50 0 CFAARN Cc1cnc(C(=O)N2CCC[C@H]2c2ccccc2)cn1 ZINC000057536004 373596356 /nfs/dbraw/zinc/59/63/56/373596356.db2.gz QPGJQLFYSFGADU-HNNXBMFYSA-N 0 0 267.332 2.762 50 0 CFAARN CCCS(=O)(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000057006513 373577965 /nfs/dbraw/zinc/57/79/65/373577965.db2.gz AXCNOSICGRTHRP-GFCCVEGCSA-N 0 0 285.409 2.864 50 0 CFAARN O=C(Nc1cccnc1)Nc1cccc(-c2nnco2)c1 ZINC000058023050 373622731 /nfs/dbraw/zinc/62/27/31/373622731.db2.gz DXYZBUNZIGBVRV-UHFFFAOYSA-N 0 0 281.275 2.776 50 0 CFAARN Cc1oc(-c2ccccc2)nc1CCNC(=O)[C@@H]1C[C@@H]1C ZINC000058418742 373657231 /nfs/dbraw/zinc/65/72/31/373657231.db2.gz OTWYYQGAWQKYSR-SMDDNHRTSA-N 0 0 284.359 2.965 50 0 CFAARN O=C(NO[C@@H]1CCCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000058418851 373657352 /nfs/dbraw/zinc/65/73/52/373657352.db2.gz HRNDNSXGHKJTSI-MHCOZEDOSA-N 0 0 279.380 2.777 50 0 CFAARN CCOCCCN1C(=O)[C@H](SC)[C@@H]1c1cccs1 ZINC000058155052 373627598 /nfs/dbraw/zinc/62/75/98/373627598.db2.gz VTFQXQQPFOXGSA-NWDGAFQWSA-N 0 0 285.434 2.790 50 0 CFAARN C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)[C@@H]2CCOC2=O)o1 ZINC000058158925 373629491 /nfs/dbraw/zinc/62/94/91/373629491.db2.gz XGLRCNQYWHADHP-LERXQTSPSA-N 0 0 275.348 2.683 50 0 CFAARN CO[C@@H]1CCCC[C@H]1OC(=O)c1cnc2onc(C)c2c1 ZINC000058170952 373629627 /nfs/dbraw/zinc/62/96/27/373629627.db2.gz PXRDHOWRZLJIHH-CHWSQXEVSA-N 0 0 290.319 2.646 50 0 CFAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C(C)C ZINC000058177927 373629761 /nfs/dbraw/zinc/62/97/61/373629761.db2.gz YEJMJRVSNZGWCY-UHFFFAOYSA-N 0 0 271.364 2.761 50 0 CFAARN CC[C@](C)(NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)OC ZINC000058183637 373631580 /nfs/dbraw/zinc/63/15/80/373631580.db2.gz ZVBHKPLLZWUQJV-BZNIZROVSA-N 0 0 295.354 2.777 50 0 CFAARN CCOC(=O)c1c2ccccc2oc1Cn1ccnc1 ZINC000058201725 373632396 /nfs/dbraw/zinc/63/23/96/373632396.db2.gz HSJUZBDFZBJWGZ-UHFFFAOYSA-N 0 0 270.288 2.854 50 0 CFAARN Cc1ccc(-c2csc(NC(=O)c3cn[nH]n3)n2)cc1C ZINC000058216523 373633010 /nfs/dbraw/zinc/63/30/10/373633010.db2.gz PVLCNJZQJDUDMR-UHFFFAOYSA-N 0 0 299.359 2.797 50 0 CFAARN COc1ccc(Br)cc1CNC(=O)C(C)C ZINC000058213783 373634239 /nfs/dbraw/zinc/63/42/39/373634239.db2.gz YRYGHCOPMRPKHL-UHFFFAOYSA-N 0 0 286.169 2.730 50 0 CFAARN O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccn[nH]1 ZINC000058227354 373635520 /nfs/dbraw/zinc/63/55/20/373635520.db2.gz FFOWCBQIEKWWQN-UHFFFAOYSA-N 0 0 294.314 2.527 50 0 CFAARN COc1ccccc1C(=O)N[C@H](C)CC[C@H]1CCCO1 ZINC000058268431 373639365 /nfs/dbraw/zinc/63/93/65/373639365.db2.gz KKSVZVPPSHZZDM-CHWSQXEVSA-N 0 0 277.364 2.773 50 0 CFAARN Cc1nn(C)c2nc(C)cc(C(=O)OCc3ccoc3)c12 ZINC000058267425 373639501 /nfs/dbraw/zinc/63/95/01/373639501.db2.gz CLBLVPGLBVZQQH-UHFFFAOYSA-N 0 0 285.303 2.535 50 0 CFAARN C[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000058282302 373640393 /nfs/dbraw/zinc/64/03/93/373640393.db2.gz TXSDUOORMSDNFE-NSHDSACASA-N 0 0 287.338 2.778 50 0 CFAARN Cc1ncc(COC(=O)c2cccc3c2OCCO3)s1 ZINC000058282132 373640416 /nfs/dbraw/zinc/64/04/16/373640416.db2.gz YCODNWSHDBEQJJ-UHFFFAOYSA-N 0 0 291.328 2.580 50 0 CFAARN CCOC(=O)NC(=O)CS[C@H](C)c1ccccc1F ZINC000058277761 373640645 /nfs/dbraw/zinc/64/06/45/373640645.db2.gz RCFDBNFPHMXTJC-SECBINFHSA-N 0 0 285.340 2.893 50 0 CFAARN O=C(CC1CCCC1)Nc1cccc(-c2ccc(=O)[nH]n2)c1 ZINC000058283275 373640976 /nfs/dbraw/zinc/64/09/76/373640976.db2.gz QITIERSOTTWVQJ-UHFFFAOYSA-N 0 0 297.358 2.956 50 0 CFAARN CC(C)CCOCCNC(=O)c1c(F)cccc1F ZINC000058325942 373644411 /nfs/dbraw/zinc/64/44/11/373644411.db2.gz PNIOKWRZDHECDG-UHFFFAOYSA-N 0 0 271.307 2.757 50 0 CFAARN Cc1nn(C)c(C)c1CC(=O)NCC[C@H](C)c1ccccc1 ZINC000058331912 373646177 /nfs/dbraw/zinc/64/61/77/373646177.db2.gz ICLPUMVHUPYYDL-ZDUSSCGKSA-N 0 0 299.418 2.889 50 0 CFAARN Cc1ccc(C(=O)NCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000058328637 373646671 /nfs/dbraw/zinc/64/66/71/373646671.db2.gz IJIACKOLGNCUAR-UHFFFAOYSA-N 0 0 292.379 2.592 50 0 CFAARN Cc1c2ccccc2oc1C(=O)NO[C@H]1CCCCO1 ZINC000058342180 373647813 /nfs/dbraw/zinc/64/78/13/373647813.db2.gz LJCHHJWDZOVSPV-ZDUSSCGKSA-N 0 0 275.304 2.929 50 0 CFAARN CCN(C)c1ccc(C(=O)Nc2cccnc2)cc1 ZINC000058344008 373647824 /nfs/dbraw/zinc/64/78/24/373647824.db2.gz YLFPMFSORMEQGF-UHFFFAOYSA-N 0 0 255.321 2.790 50 0 CFAARN C[C@@H](CO)NC(=O)Nc1ccccc1SC(F)F ZINC000058342215 373648258 /nfs/dbraw/zinc/64/82/58/373648258.db2.gz JWTPQZFJRMWWLJ-ZETCQYMHSA-N 0 0 276.308 2.504 50 0 CFAARN Cc1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000058344879 373648765 /nfs/dbraw/zinc/64/87/65/373648765.db2.gz RRSZDRZJEQBNNF-JKSUJKDBSA-N 0 0 282.343 2.775 50 0 CFAARN CCN(Cc1ccco1)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000058357287 373650834 /nfs/dbraw/zinc/65/08/34/373650834.db2.gz XCMZJAQESZDGMB-UHFFFAOYSA-N 0 0 296.330 2.523 50 0 CFAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cc(C2CC2)on1 ZINC000058392288 373652095 /nfs/dbraw/zinc/65/20/95/373652095.db2.gz JJSTYHCJUGKPNT-BXUZGUMPSA-N 0 0 292.379 2.877 50 0 CFAARN Cc1cc2cc(NC(=O)COCC3CC3)ccc2[nH]1 ZINC000058391245 373652775 /nfs/dbraw/zinc/65/27/75/373652775.db2.gz RGISZXGSLZROBT-UHFFFAOYSA-N 0 0 258.321 2.841 50 0 CFAARN COC[C@H](C)c1nc(-c2ccc(O)cc2O)cs1 ZINC000058390825 373652799 /nfs/dbraw/zinc/65/27/99/373652799.db2.gz YZLNQHAYXUEIHX-QMMMGPOBSA-N 0 0 265.334 2.971 50 0 CFAARN O=C(NCc1ccccc1CO)Nc1cc(F)ccc1F ZINC000058402335 373654560 /nfs/dbraw/zinc/65/45/60/373654560.db2.gz ZPCDVLFLJARJKT-UHFFFAOYSA-N 0 0 292.285 2.779 50 0 CFAARN O=C([O-])CC[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000057555834 373597965 /nfs/dbraw/zinc/59/79/65/373597965.db2.gz DRUXIRJSPAZGFS-UHFFFAOYSA-N 0 0 267.756 2.994 50 0 CFAARN CN1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 ZINC000057547352 373598115 /nfs/dbraw/zinc/59/81/15/373598115.db2.gz ZXIYUYBMRSBXFO-SAPNQHFASA-N 0 0 296.370 2.594 50 0 CFAARN Cc1ccccc1NCCC(=O)Nc1c2c(nn1C)CCC2 ZINC000058416606 373656784 /nfs/dbraw/zinc/65/67/84/373656784.db2.gz VYGIGDLNFMHDFG-UHFFFAOYSA-N 0 0 298.390 2.658 50 0 CFAARN FC(F)CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000057917424 373619250 /nfs/dbraw/zinc/61/92/50/373619250.db2.gz UUUCKFHQZXXYTK-UHFFFAOYSA-N 0 0 274.742 2.723 50 0 CFAARN Cc1cc([C@@H]2CCCN2c2ccc3nccnc3n2)no1 ZINC000057994704 373621168 /nfs/dbraw/zinc/62/11/68/373621168.db2.gz GHLPPLPLQPUWOV-ZDUSSCGKSA-N 0 0 281.319 2.663 50 0 CFAARN CCCNC(=O)c1sc2nc(C)cc(C)c2c1N ZINC000058576595 373662585 /nfs/dbraw/zinc/66/25/85/373662585.db2.gz YZLLBGXYIYBYKJ-UHFFFAOYSA-N 0 0 263.366 2.635 50 0 CFAARN Cc1cccn2cc(COC(=O)c3ccc(O)cc3)nc12 ZINC000058633558 373665059 /nfs/dbraw/zinc/66/50/59/373665059.db2.gz LBRRORJXLZMVHM-UHFFFAOYSA-N 0 0 282.299 2.705 50 0 CFAARN O=S(=O)(CCOc1ccccc1)Cc1cccc(F)c1 ZINC000058658166 373665204 /nfs/dbraw/zinc/66/52/04/373665204.db2.gz UEMFMSHUBZIYTF-UHFFFAOYSA-N 0 0 294.347 2.820 50 0 CFAARN Cc1cc(CN(C)C(=O)C(C)(C)c2ccccc2)no1 ZINC000058761717 373668961 /nfs/dbraw/zinc/66/89/61/373668961.db2.gz CEHRDPHLPBZMIL-UHFFFAOYSA-N 0 0 272.348 2.919 50 0 CFAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(C(C)(C)C)o1 ZINC000059419567 373680452 /nfs/dbraw/zinc/68/04/52/373680452.db2.gz AKDAHEMXEWRXGU-SNVBAGLBSA-N 0 0 297.424 2.860 50 0 CFAARN CCCc1ccc(OCCNC(=O)CCC(C)=O)cc1 ZINC000059720728 373683214 /nfs/dbraw/zinc/68/32/14/373683214.db2.gz AYAHPOSROOWVOJ-UHFFFAOYSA-N 0 0 277.364 2.503 50 0 CFAARN COCCCn1cnnc1SCc1ccc(F)cc1 ZINC000059758353 373683602 /nfs/dbraw/zinc/68/36/02/373683602.db2.gz KSIGXILQNNSQCY-UHFFFAOYSA-N 0 0 281.356 2.746 50 0 CFAARN CCCN(CCc1ccccn1)C(=O)c1cccnc1 ZINC000061436353 373718672 /nfs/dbraw/zinc/71/86/72/373718672.db2.gz AEVNFZKZQIWMNM-UHFFFAOYSA-N 0 0 269.348 2.572 50 0 CFAARN CC(C)Oc1cccc(CNC(=O)N2CCSCC2)c1 ZINC000059854542 373686547 /nfs/dbraw/zinc/68/65/47/373686547.db2.gz 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2.602 50 0 CFAARN CC(C)(C)CC(=O)N1CCC(Oc2ccncc2)CC1 ZINC000252492200 383413435 /nfs/dbraw/zinc/41/34/35/383413435.db2.gz MFLTZFRCOBJAOV-UHFFFAOYSA-N 0 0 276.380 2.888 50 0 CFAARN C[C@](CO)(CNC(=O)CCC1CCC1)Cc1ccccc1 ZINC000252500767 383413892 /nfs/dbraw/zinc/41/38/92/383413892.db2.gz TVDTXMSJOVAYRA-GOSISDBHSA-N 0 0 289.419 2.924 50 0 CFAARN O=C(Cn1nnc(C2CC2)n1)c1cccc(Cl)c1Cl ZINC000252499884 383414087 /nfs/dbraw/zinc/41/40/87/383414087.db2.gz SIBVTBFXEMQYPE-UHFFFAOYSA-N 0 0 297.145 2.740 50 0 CFAARN CO[C@H]1CCN(c2ccc(C(=O)NC3CCCC3)cc2)C1 ZINC000252497621 383414321 /nfs/dbraw/zinc/41/43/21/383414321.db2.gz QKZFDXAWGAGFEF-INIZCTEOSA-N 0 0 288.391 2.584 50 0 CFAARN O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCc1ccccc1 ZINC000250823998 383380760 /nfs/dbraw/zinc/38/07/60/383380760.db2.gz VIKGAMUBVNONOP-OAGGEKHMSA-N 0 0 273.376 2.947 50 0 CFAARN COc1ccc2[nH]c(C(=O)Nc3nnc(C(C)C)[nH]3)cc2c1 ZINC000253395489 383455244 /nfs/dbraw/zinc/45/52/44/383455244.db2.gz ALNAUYWDCCHUMA-UHFFFAOYSA-N 0 0 299.334 2.670 50 0 CFAARN C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(F)cn2)[C@@H]1C ZINC000253404611 383456475 /nfs/dbraw/zinc/45/64/75/383456475.db2.gz BJRILRVXIAQMBS-JTNHKYCSSA-N 0 0 264.344 2.704 50 0 CFAARN CCCNC(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000253425088 383458991 /nfs/dbraw/zinc/45/89/91/383458991.db2.gz OPXAJEHAQCOGHC-UHFFFAOYSA-N 0 0 283.322 2.799 50 0 CFAARN CC(C)(C)C(=O)NCCn1cc(-c2ccccc2)cn1 ZINC000253471633 383460698 /nfs/dbraw/zinc/46/06/98/383460698.db2.gz DUXMKOFBLHCAMN-UHFFFAOYSA-N 0 0 271.364 2.712 50 0 CFAARN CO[C@H](CNC(=O)NC(C)C)c1cc2ccccc2o1 ZINC000253472388 383461064 /nfs/dbraw/zinc/46/10/64/383461064.db2.gz LZATXZKXFKAJOR-CQSZACIVSA-N 0 0 276.336 2.828 50 0 CFAARN Oc1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1O ZINC000254350656 383465831 /nfs/dbraw/zinc/46/58/31/383465831.db2.gz QQADCYJELGQJQY-UHFFFAOYSA-N 0 0 297.236 2.958 50 0 CFAARN CCOCCC(=O)n1ccccc1=NC1CCCCC1 ZINC000254510567 383468248 /nfs/dbraw/zinc/46/82/48/383468248.db2.gz DRAPBUPPMIMEBI-UHFFFAOYSA-N 0 0 276.380 2.788 50 0 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Cc1cc(=O)n(C)c(=Nc2ccc(C(F)(F)F)cc2)o1 ZINC000252626942 383422300 /nfs/dbraw/zinc/42/23/00/383422300.db2.gz RITNMTHRLZVXHK-UHFFFAOYSA-N 0 0 284.237 2.538 50 0 CFAARN Cc1ccc(NN=C2C(=O)ON=C2c2ccccc2)cc1 ZINC000252625488 383422438 /nfs/dbraw/zinc/42/24/38/383422438.db2.gz QLASDNDYVDZTMF-UHFFFAOYSA-N 0 0 279.299 2.724 50 0 CFAARN COc1ccc(C(=O)N2CCC3(CC[C@H]3OC)CC2)cc1 ZINC000257176602 383490080 /nfs/dbraw/zinc/49/00/80/383490080.db2.gz CQZSJSKQMLNUGD-OAHLLOKOSA-N 0 0 289.375 2.726 50 0 CFAARN CCC(=O)N1CC[C@H](Cc2noc(-c3ccccc3)n2)C1 ZINC000257182850 383490585 /nfs/dbraw/zinc/49/05/85/383490585.db2.gz QIFNBMJUTZZCQC-GFCCVEGCSA-N 0 0 285.347 2.538 50 0 CFAARN CO[C@H]1CCC12CCN(C(=O)CC1CCCC1)CC2 ZINC000257180410 383490767 /nfs/dbraw/zinc/49/07/67/383490767.db2.gz KSSGHBWBLCFBLT-AWEZNQCLSA-N 0 0 265.397 2.984 50 0 CFAARN Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1C(=O)c1cccs1 ZINC000257181701 383491025 /nfs/dbraw/zinc/49/10/25/383491025.db2.gz NSVGOYONYTUEDQ-GXFFZTMASA-N 0 0 285.372 2.749 50 0 CFAARN CCOc1ccc2c(n1)CCN(C(=O)C1CCCC1)C2 ZINC000257184240 383491046 /nfs/dbraw/zinc/49/10/46/383491046.db2.gz UAVTWTWSEORTBP-UHFFFAOYSA-N 0 0 274.364 2.555 50 0 CFAARN CC(=O)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccc(F)cc3)ncc12 ZINC000257184097 383491051 /nfs/dbraw/zinc/49/10/51/383491051.db2.gz TWRDTAQEQFZUNP-XJKSGUPXSA-N 0 0 297.333 2.891 50 0 CFAARN Cc1cccc(NC(=O)C[C@H]2CCCCN(C)C2=O)c1 ZINC000257185888 383492400 /nfs/dbraw/zinc/49/24/00/383492400.db2.gz XWZPXKXRRNAVMB-CYBMUJFWSA-N 0 0 274.364 2.582 50 0 CFAARN CCNC(=O)N1CC[C@@H](CCOc2ccccc2)C1 ZINC000257194588 383492959 /nfs/dbraw/zinc/49/29/59/383492959.db2.gz UHYCAQIDGBUGAM-ZDUSSCGKSA-N 0 0 262.353 2.507 50 0 CFAARN CNC(=O)NCCc1ncc(C)n1C1CCCCCC1 ZINC000257193903 383493269 /nfs/dbraw/zinc/49/32/69/383493269.db2.gz SDIARDXTBNGHFB-UHFFFAOYSA-N 0 0 278.400 2.558 50 0 CFAARN Cc1cnc([C@H]2CCN(C(=O)NC(C)C)C2)n1C(C)C ZINC000257196292 383493407 /nfs/dbraw/zinc/49/34/07/383493407.db2.gz XYPXIOJFPNUAKJ-ZDUSSCGKSA-N 0 0 278.400 2.680 50 0 CFAARN CC(C)c1noc([C@@H](C)N2CCC[C@H]2Cn2cccn2)n1 ZINC000257365733 383497070 /nfs/dbraw/zinc/49/70/70/383497070.db2.gz JFKPMDLDAFVMAV-OLZOCXBDSA-N 0 0 289.383 2.615 50 0 CFAARN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000262658884 383634024 /nfs/dbraw/zinc/63/40/24/383634024.db2.gz NEAPOWDLFSOHJQ-GUYCJALGSA-N 0 0 273.376 2.830 50 0 CFAARN Cc1cc(NC(=O)C[C@@H]2CCc3ccccc3C2)n[nH]1 ZINC000264840663 383789548 /nfs/dbraw/zinc/78/95/48/383789548.db2.gz JOBDDNIEEAOWIZ-GFCCVEGCSA-N 0 0 269.348 2.852 50 0 CFAARN O=C1NC(=O)C(=Cc2ccccc2Br)S1 ZINC000016449007 296356064 /nfs/dbraw/zinc/35/60/64/296356064.db2.gz BLCHWUBPPGEKBS-YVMONPNESA-N 0 0 284.134 2.773 50 0 CFAARN O=C1NC(=O)C(=Cc2ccccc2Br)S1 ZINC000001435594 296356596 /nfs/dbraw/zinc/35/65/96/296356596.db2.gz BLCHWUBPPGEKBS-VMPITWQZSA-N 0 0 284.134 2.773 50 0 CFAARN COc1ccc(OS(=O)(=O)Cc2ccccc2)cc1 ZINC000005360364 533022982 /nfs/dbraw/zinc/02/29/82/533022982.db2.gz KXTRDSKEGLBEJO-UHFFFAOYSA-N 0 0 278.329 2.604 50 0 CFAARN O=C([O-])CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000267484503 384400927 /nfs/dbraw/zinc/40/09/27/384400927.db2.gz KRRMMABFGFDTEH-STQMWFEESA-N 0 0 297.420 2.891 50 0 CFAARN C[C@@H]1CCN(C(=O)C2CCOCC2)[C@@H]2CCCC[C@@H]12 ZINC000642308992 384422484 /nfs/dbraw/zinc/42/24/84/384422484.db2.gz YFLBZMBBDAKXCM-VHDGCEQUSA-N 0 0 265.397 2.840 50 0 CFAARN Cc1c(-c2nc(C(C)(C)C3=CCCCC3)no2)nnn1C ZINC000278044490 384466127 /nfs/dbraw/zinc/46/61/27/384466127.db2.gz LIMNXYPPJIHZLO-UHFFFAOYSA-N 0 0 287.367 2.952 50 0 CFAARN CCc1nn(C)cc1NC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000278239531 384505290 /nfs/dbraw/zinc/50/52/90/384505290.db2.gz ZCKIGHKWTWGVOW-CYBMUJFWSA-N 0 0 299.374 2.660 50 0 CFAARN COC(=O)[C@H](Cc1ccc(C)cc1)SC1=NCCS1 ZINC000280063499 384870789 /nfs/dbraw/zinc/87/07/89/384870789.db2.gz ZBLMGWZCASTGRT-LBPRGKRZSA-N 0 0 295.429 2.915 50 0 CFAARN Cc1cc(C)nc(N2CCC[C@@H]2c2cccnc2)n1 ZINC000032908950 291874227 /nfs/dbraw/zinc/87/42/27/291874227.db2.gz CWERFQGATBXMDZ-CQSZACIVSA-N 0 0 254.337 2.830 50 0 CFAARN CCC[C@@H](Nc1ncccn1)[C@@H](O)c1ccccc1 ZINC000280572652 385067408 /nfs/dbraw/zinc/06/74/08/385067408.db2.gz VOZZGAOYXPHWAY-KGLIPLIRSA-N 0 0 257.337 2.791 50 0 CFAARN COCC1(CNC(=O)CCCc2ccccc2)CCC1 ZINC000282735849 385379426 /nfs/dbraw/zinc/37/94/26/385379426.db2.gz SWVXFVOZLYGMIY-UHFFFAOYSA-N 0 0 275.392 2.942 50 0 CFAARN CCn1c2ccccc2nc1NCc1cnc(C2CC2)o1 ZINC000639430616 385523315 /nfs/dbraw/zinc/52/33/15/385523315.db2.gz YNLDAGNOTSXNJD-UHFFFAOYSA-N 0 0 282.347 2.956 50 0 CFAARN COCC1(C(=O)Nc2cccc(-c3ncc[nH]3)c2)CCC1 ZINC000284028556 385526360 /nfs/dbraw/zinc/52/63/60/385526360.db2.gz PBHIXZYMTUPVRS-UHFFFAOYSA-N 0 0 285.347 2.832 50 0 CFAARN Cc1nc2ccccc2nc1CN1CCC=C(F)C1 ZINC000272401681 385528412 /nfs/dbraw/zinc/52/84/12/385528412.db2.gz DUIMKSLZHDJSKP-UHFFFAOYSA-N 0 0 257.312 2.997 50 0 CFAARN C[C@@H]1COc2ccccc2CN1Cc1cccnc1 ZINC000272918908 385652384 /nfs/dbraw/zinc/65/23/84/385652384.db2.gz ILNIQBYJXGBXHA-CYBMUJFWSA-N 0 0 254.333 2.865 50 0 CFAARN C[C@@](O)(C(=O)NCc1ccc(C2CCC2)cc1)C1CC1 ZINC000286995237 385758047 /nfs/dbraw/zinc/75/80/47/385758047.db2.gz UIJBUBOZNMTPJX-KRWDZBQOSA-N 0 0 273.376 2.731 50 0 CFAARN COC(=O)C(C)(C)NC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000096455535 533158974 /nfs/dbraw/zinc/15/89/74/533158974.db2.gz IPAYDIODWQQIIL-SSDOTTSWSA-N 0 0 289.784 2.573 50 0 CFAARN COc1ccc(-c2ccc(N(C)C)nn2)c2cccnc12 ZINC000097819692 533181367 /nfs/dbraw/zinc/18/13/67/533181367.db2.gz SWONTYWGTTVWLL-UHFFFAOYSA-N 0 0 280.331 2.766 50 0 CFAARN OC1CCC(Nc2ncnc3sc4c(c32)CCC4)CC1 ZINC000008149148 285245411 /nfs/dbraw/zinc/24/54/11/285245411.db2.gz MSTQQUNBHBOBCK-UHFFFAOYSA-N 0 0 289.404 2.895 50 0 CFAARN Cc1nn(C(C)(C)C)c(=O)n1Cc1cnc2ccccc2c1 ZINC000281310514 195191939 /nfs/dbraw/zinc/19/19/39/195191939.db2.gz KNKPFXAYHJYXTF-UHFFFAOYSA-N 0 0 296.374 2.705 50 0 CFAARN CSc1ccc(CCNC(=O)Cc2cccnc2)cc1 ZINC000281390005 195221727 /nfs/dbraw/zinc/22/17/27/195221727.db2.gz LWTLGIZXUCJTPU-UHFFFAOYSA-N 0 0 286.400 2.705 50 0 CFAARN CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000081670325 177838968 /nfs/dbraw/zinc/83/89/68/177838968.db2.gz OLFHQLPDXSOIIA-HIFRSBDPSA-N 0 0 253.386 2.842 50 0 CFAARN O[C@@H]1CCCN(c2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000009737297 285315219 /nfs/dbraw/zinc/31/52/19/285315219.db2.gz WABVCWVDUFYHIN-SECBINFHSA-N 0 0 297.280 2.610 50 0 CFAARN CO[C@H](CNC(=O)c1ccc[nH]1)c1cccc(Cl)c1 ZINC000081324740 177788823 /nfs/dbraw/zinc/78/88/23/177788823.db2.gz ALCNGPWBALLHCS-CYBMUJFWSA-N 0 0 278.739 2.786 50 0 CFAARN Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000003885341 260013656 /nfs/dbraw/zinc/01/36/56/260013656.db2.gz FDVYFKMOPNABOK-UHFFFAOYSA-N 0 0 282.752 2.723 50 0 CFAARN CN(C(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccn1 ZINC000096413128 256765205 /nfs/dbraw/zinc/76/52/05/256765205.db2.gz DWXXFOQSVZHZQP-SNVBAGLBSA-N 0 0 259.136 2.628 50 0 CFAARN O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)[C@@H]1CCCO1 ZINC000096432673 256754648 /nfs/dbraw/zinc/75/46/48/256754648.db2.gz SVOWIJJPTMPJCG-UONOGXRCSA-N 0 0 281.302 2.711 50 0 CFAARN 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/nfs/dbraw/zinc/83/03/89/373830389.db2.gz MXIGHMWYARGZAC-UHFFFAOYSA-N 0 0 283.335 2.905 50 0 CFAARN CC(C)NC(=O)CCc1cn(C)nc1-c1ccc(F)cc1 ZINC000064659745 373831592 /nfs/dbraw/zinc/83/15/92/373831592.db2.gz DJQPEBJMXFTIDH-UHFFFAOYSA-N 0 0 289.354 2.683 50 0 CFAARN O=C(NCc1ccc(F)cc1)n1ncc2ccccc21 ZINC000064662497 373834053 /nfs/dbraw/zinc/83/40/53/373834053.db2.gz SNBFSUQVSAQUBB-UHFFFAOYSA-N 0 0 269.279 2.933 50 0 CFAARN CCn1cnc2ccc(-c3noc(-c4cnccn4)n3)cc21 ZINC000064759486 373834133 /nfs/dbraw/zinc/83/41/33/373834133.db2.gz IQMSVQBPJSQBPW-UHFFFAOYSA-N 0 0 292.302 2.563 50 0 CFAARN Nc1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000063110891 373787098 /nfs/dbraw/zinc/78/70/98/373787098.db2.gz DGBMWLIYOSBXKT-UHFFFAOYSA-N 0 0 263.243 2.904 50 0 CFAARN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2ncccc2C)c1 ZINC000063242928 373799927 /nfs/dbraw/zinc/79/99/27/373799927.db2.gz CWNQOULLCCVOBG-CYBMUJFWSA-N 0 0 298.342 2.999 50 0 CFAARN O=C(c1ccc2nncn2c1)N1CCC[C@H]1C1CCCC1 ZINC000065515740 373881896 /nfs/dbraw/zinc/88/18/96/373881896.db2.gz NBMNBSQDHYDLDF-AWEZNQCLSA-N 0 0 284.363 2.524 50 0 CFAARN COCc1nc(C2CC2)nn1-c1cc(Cl)ccc1OC ZINC000065526506 373882895 /nfs/dbraw/zinc/88/28/95/373882895.db2.gz OPVKREUVFHAKLG-UHFFFAOYSA-N 0 0 293.754 2.953 50 0 CFAARN Cc1cccc(CNC(=O)NCC2(c3ccccc3)CC2)n1 ZINC000065540239 373884225 /nfs/dbraw/zinc/88/42/25/373884225.db2.gz YUPYYYMCWAUAES-UHFFFAOYSA-N 0 0 295.386 2.921 50 0 CFAARN Cc1noc(C)c1CCC(=O)N(C)[C@@H](C)c1ccccn1 ZINC000065533980 373885519 /nfs/dbraw/zinc/88/55/19/373885519.db2.gz LLDJMLYFDHPYRP-LBPRGKRZSA-N 0 0 287.363 2.839 50 0 CFAARN C[C@H](c1ccc(F)cc1)n1c(=O)[nH]nc1-c1ccc(O)cc1 ZINC000065530947 373885722 /nfs/dbraw/zinc/88/57/22/373885722.db2.gz XFNVPUWMWWXWBM-SNVBAGLBSA-N 0 0 299.305 2.692 50 0 CFAARN CCC(CC)NC(=O)Nc1ccccc1CN(C)C(C)=O ZINC000065554060 373886476 /nfs/dbraw/zinc/88/64/76/373886476.db2.gz GKPZRUULRVNARI-UHFFFAOYSA-N 0 0 291.395 2.975 50 0 CFAARN C[C@H]1COCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000065550589 373887980 /nfs/dbraw/zinc/88/79/80/373887980.db2.gz KDSISSVVSFHGGT-NSHDSACASA-N 0 0 276.311 2.701 50 0 CFAARN COC(=O)C(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000065590880 373891768 /nfs/dbraw/zinc/89/17/68/373891768.db2.gz DRRFYIIEIVIESM-VXGBXAGGSA-N 0 0 295.766 2.511 50 0 CFAARN CCNC(=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000065608650 373894404 /nfs/dbraw/zinc/89/44/04/373894404.db2.gz DMZYDNPPVGLEID-UHFFFAOYSA-N 0 0 283.375 2.856 50 0 CFAARN O=C(c1cc2c(cc1O)CCCC2)N1CCCSCC1 ZINC000065618454 373895838 /nfs/dbraw/zinc/89/58/38/373895838.db2.gz OXOIEAAJVLSMII-UHFFFAOYSA-N 0 0 291.416 2.850 50 0 CFAARN CCC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000065609000 373895875 /nfs/dbraw/zinc/89/58/75/373895875.db2.gz MDENRHDKFNWEIR-UHFFFAOYSA-N 0 0 284.363 2.588 50 0 CFAARN CCCC(C)(C)NC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000065042124 373841765 /nfs/dbraw/zinc/84/17/65/373841765.db2.gz MVIBXUKFNYOSEN-UHFFFAOYSA-N 0 0 293.363 2.775 50 0 CFAARN O=C(NCc1noc(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000064988179 373842238 /nfs/dbraw/zinc/84/22/38/373842238.db2.gz IRAYZHJWQAUEIY-UHFFFAOYSA-N 0 0 297.289 2.806 50 0 CFAARN Cn1c2ccc(-c3noc(-c4ccccc4)n3)cc2oc1=O ZINC000065138241 373843661 /nfs/dbraw/zinc/84/36/61/373843661.db2.gz SEUXQQSKQOTJGI-UHFFFAOYSA-N 0 0 293.282 2.849 50 0 CFAARN COc1ccc(-c2ncccc2CNC(=O)C2CC2)cc1 ZINC000065171178 373845509 /nfs/dbraw/zinc/84/55/09/373845509.db2.gz JGOFRQZUWBPIFR-UHFFFAOYSA-N 0 0 282.343 2.783 50 0 CFAARN O=C(c1ccoc1)N1CCc2[nH]cnc2[C@@H]1c1ccccc1 ZINC000065164447 373846372 /nfs/dbraw/zinc/84/63/72/373846372.db2.gz WABYGVIODGYRFR-INIZCTEOSA-N 0 0 293.326 2.791 50 0 CFAARN CCn1cc(CCNC(=O)NC(C)(C)C)c2cccnc21 ZINC000065156256 373846531 /nfs/dbraw/zinc/84/65/31/373846531.db2.gz MJKXLZUNJNMZBX-UHFFFAOYSA-N 0 0 288.395 2.696 50 0 CFAARN CC(C)(C)c1ccc(C(=O)N2CCc3[nH]cnc3C2)cc1 ZINC000065164049 373846542 /nfs/dbraw/zinc/84/65/42/373846542.db2.gz PLPHYMVVXHPWOL-UHFFFAOYSA-N 0 0 283.375 2.906 50 0 CFAARN CCCn1cc(CCNC(=O)CC)c2cccnc21 ZINC000065163908 373846722 /nfs/dbraw/zinc/84/67/22/373846722.db2.gz MTMTXJHLXAPLRS-UHFFFAOYSA-N 0 0 259.353 2.515 50 0 CFAARN CCC(=O)NCc1ccc(-n2cc(C)nc2CC)cc1 ZINC000065201633 373848396 /nfs/dbraw/zinc/84/83/96/373848396.db2.gz MRJMSHBLRYUHOM-UHFFFAOYSA-N 0 0 271.364 2.769 50 0 CFAARN CCc1nccn1-c1ccc(CNC(=O)c2ccco2)cc1 ZINC000065201788 373849213 /nfs/dbraw/zinc/84/92/13/373849213.db2.gz MJFIQKARCXBOGP-UHFFFAOYSA-N 0 0 295.342 2.958 50 0 CFAARN c1cn(-c2ccc(-c3noc(-c4ccoc4)n3)cn2)cn1 ZINC000065239582 373850644 /nfs/dbraw/zinc/85/06/44/373850644.db2.gz LFFIWSZZCWYFJD-UHFFFAOYSA-N 0 0 279.259 2.577 50 0 CFAARN c1cn(-c2ccc(-c3nnc(-c4ccoc4)o3)cn2)cn1 ZINC000065259412 373852820 /nfs/dbraw/zinc/85/28/20/373852820.db2.gz ODJVBWZFCWFPCB-UHFFFAOYSA-N 0 0 279.259 2.577 50 0 CFAARN O=C(c1ccccc1)N1CCC(c2nnc(C3CC3)[nH]2)CC1 ZINC000065287485 373852843 /nfs/dbraw/zinc/85/28/43/373852843.db2.gz UGIJHCYOKSCACI-UHFFFAOYSA-N 0 0 296.374 2.702 50 0 CFAARN CCCN(C)C(=O)CCc1cc2ccc(C)cc2[nH]c1=O ZINC000065245585 373852881 /nfs/dbraw/zinc/85/28/81/373852881.db2.gz QVXLDKHKPCUKTE-UHFFFAOYSA-N 0 0 286.375 2.638 50 0 CFAARN CC(C)c1nnc2n1CCN(C(=O)CC1CCCCC1)C2 ZINC000065289082 373855555 /nfs/dbraw/zinc/85/55/55/373855555.db2.gz OSNIYLROHMZRIB-UHFFFAOYSA-N 0 0 290.411 2.714 50 0 CFAARN COc1cc(-n2cnc3ccccc32)ccc1NC(C)=O ZINC000065382314 373860596 /nfs/dbraw/zinc/86/05/96/373860596.db2.gz QTZYNUGRNYZLRU-UHFFFAOYSA-N 0 0 281.315 2.993 50 0 CFAARN CCCn1cc(-c2nc(C)nn2-c2ccccn2)c(C)n1 ZINC000065393791 373864062 /nfs/dbraw/zinc/86/40/62/373864062.db2.gz GFSSCWFDOCNRHY-UHFFFAOYSA-N 0 0 282.351 2.553 50 0 CFAARN CC[C@@H]1C=CCN1C(=O)c1c(C)[nH]c(C(C)=O)c1C ZINC000065393688 373864229 /nfs/dbraw/zinc/86/42/29/373864229.db2.gz NKRQTCDEOGRUAY-GFCCVEGCSA-N 0 0 260.337 2.625 50 0 CFAARN CCOc1ccc(C(F)(F)F)cc1-n1cnnc1 ZINC000065395700 373864539 /nfs/dbraw/zinc/86/45/39/373864539.db2.gz PPTYVTDAPSPWFP-UHFFFAOYSA-N 0 0 257.215 2.685 50 0 CFAARN COc1ccc(CN(C)Cc2ncc[nH]2)c2cccnc12 ZINC000065395995 373866198 /nfs/dbraw/zinc/86/61/98/373866198.db2.gz ABENOSRQQGEPSQ-UHFFFAOYSA-N 0 0 282.347 2.599 50 0 CFAARN CCc1cnc(C)nc1N[C@@H](CC)c1cnn(C)c1 ZINC000065406098 373866965 /nfs/dbraw/zinc/86/69/65/373866965.db2.gz WBBMDGURSKGCAR-ZDUSSCGKSA-N 0 0 259.357 2.644 50 0 CFAARN COc1ccc(C(C)C)cc1[C@H]1NCCc2nc[nH]c21 ZINC000065417597 373868875 /nfs/dbraw/zinc/86/88/75/373868875.db2.gz DATRQLKIKYPVNK-OAHLLOKOSA-N 0 0 271.364 2.777 50 0 CFAARN O=c1[nH]nc(Cc2ccccc2)n1CCc1ccccc1F ZINC000065455243 373872475 /nfs/dbraw/zinc/87/24/75/373872475.db2.gz AUADXBGYGDPOIX-UHFFFAOYSA-N 0 0 297.333 2.544 50 0 CFAARN Cc1cc(N(C)CC2(C)COC2)nc(-c2ccccc2)n1 ZINC000065436048 373873397 /nfs/dbraw/zinc/87/33/97/373873397.db2.gz CJUKHICCOZVLNK-UHFFFAOYSA-N 0 0 283.375 2.925 50 0 CFAARN Cn1ccnc1C(=O)c1cccc(-c2ccccc2CO)c1 ZINC000065463982 373874870 /nfs/dbraw/zinc/87/48/70/373874870.db2.gz LZRRBHFQJQXKAO-UHFFFAOYSA-N 0 0 292.338 2.810 50 0 CFAARN Cc1csc([C@H]2CN(CC3(O)CCCCC3)CCO2)n1 ZINC000065478956 373877182 /nfs/dbraw/zinc/87/71/82/373877182.db2.gz ULUOVWMHBJFNCM-CYBMUJFWSA-N 0 0 296.436 2.520 50 0 CFAARN CCOC(=O)c1oc(Br)nc1C(F)(F)F ZINC000066054659 373909073 /nfs/dbraw/zinc/90/90/73/373909073.db2.gz CNQYPGDMCBJWCI-UHFFFAOYSA-N 0 0 288.019 2.633 50 0 CFAARN O=c1c2cc[nH]c2[nH]c(I)c1Cl ZINC000066054420 373909367 /nfs/dbraw/zinc/90/93/67/373909367.db2.gz BTPHFLZBMKUKQV-UHFFFAOYSA-N 0 0 294.479 2.527 50 0 CFAARN OCc1coc2cc(I)ccc12 ZINC000066055208 373909485 /nfs/dbraw/zinc/90/94/85/373909485.db2.gz OGBKTSZBGVZCRV-UHFFFAOYSA-N 0 0 274.057 2.530 50 0 CFAARN Cc1cccc(C)c1OC[C@H](O)CSc1nccn1C ZINC000066237306 373921420 /nfs/dbraw/zinc/92/14/20/373921420.db2.gz MZYLFPRNYNRLQV-ZDUSSCGKSA-N 0 0 292.404 2.569 50 0 CFAARN Cc1ccsc1-c1cccc(NC(=O)Cn2cncn2)c1 ZINC000066553454 373936062 /nfs/dbraw/zinc/93/60/62/373936062.db2.gz TZZWRGLEPYXNIR-UHFFFAOYSA-N 0 0 298.371 2.954 50 0 CFAARN CCNC(=O)NCCOc1ccccc1C(C)(C)C ZINC000066596114 373941878 /nfs/dbraw/zinc/94/18/78/373941878.db2.gz IKDMYVPZOMRILD-UHFFFAOYSA-N 0 0 264.369 2.682 50 0 CFAARN c1c[nH]c(-c2ccccc2OCCCn2ccnc2)n1 ZINC000067712877 373994847 /nfs/dbraw/zinc/99/48/47/373994847.db2.gz IMVHWXCWYJAONX-UHFFFAOYSA-N 0 0 268.320 2.742 50 0 CFAARN c1cn(CC2(c3nnc(CCc4ccccc4)[nH]3)CC2)cn1 ZINC000067723661 373997193 /nfs/dbraw/zinc/99/71/93/373997193.db2.gz VZCAPIUKZOOHGL-UHFFFAOYSA-N 0 0 293.374 2.518 50 0 CFAARN COc1cccc(F)c1-c1cnc(-n2cnnc2)c(C)c1 ZINC000067725465 373997505 /nfs/dbraw/zinc/99/75/05/373997505.db2.gz NAXHVNQUXIMOEW-UHFFFAOYSA-N 0 0 284.294 2.785 50 0 CFAARN CCOc1ccccc1C(=O)NCc1c(C)noc1C ZINC000067755812 373998722 /nfs/dbraw/zinc/99/87/22/373998722.db2.gz GZWDVFIYRPAKQE-UHFFFAOYSA-N 0 0 274.320 2.620 50 0 CFAARN C[N@H+](Cc1ccccc1C(=O)[O-])C1Cc2ccccc2C1 ZINC000067756993 373998984 /nfs/dbraw/zinc/99/89/84/373998984.db2.gz VXIQUPJJLZRYBV-UHFFFAOYSA-N 0 0 281.355 2.984 50 0 CFAARN Cc1noc(C)c1CNC(=O)c1ccc(Cl)s1 ZINC000067757523 373999599 /nfs/dbraw/zinc/99/95/99/373999599.db2.gz LZQCGFMLPIQAHX-UHFFFAOYSA-N 0 0 270.741 2.936 50 0 CFAARN CCOc1ccc(-c2nccn2Cc2cccnc2)cn1 ZINC000067786569 374001423 /nfs/dbraw/zinc/00/14/23/374001423.db2.gz NDRAPUZSHVGJQE-UHFFFAOYSA-N 0 0 280.331 2.787 50 0 CFAARN CCOC(=O)c1cccnc1-c1cccc(NC(C)=O)c1 ZINC000067789814 374001643 /nfs/dbraw/zinc/00/16/43/374001643.db2.gz HAMOJTWCBHTBQO-UHFFFAOYSA-N 0 0 284.315 2.884 50 0 CFAARN COCC(=O)Nc1cccc(-c2ccc3c(c2)OCO3)c1 ZINC000067841817 374005880 /nfs/dbraw/zinc/00/58/80/374005880.db2.gz FSWSVLVMJNNLAG-UHFFFAOYSA-N 0 0 285.299 2.667 50 0 CFAARN CC(=O)c1ccc(C(=O)Nc2cnc3n2CCCC3)s1 ZINC000067834348 374006688 /nfs/dbraw/zinc/00/66/88/374006688.db2.gz BOVLDGMEOBREDT-UHFFFAOYSA-N 0 0 289.360 2.736 50 0 CFAARN C[C@H](Cc1cccs1)Nc1ccc(-c2nccn2C)nn1 ZINC000067833893 374007420 /nfs/dbraw/zinc/00/74/20/374007420.db2.gz VCJJQAJAWXWQBU-LLVKDONJSA-N 0 0 299.403 2.982 50 0 CFAARN Nc1ncc(-c2nccn2CCC2=CCCCC2)cn1 ZINC000067846867 374008426 /nfs/dbraw/zinc/00/84/26/374008426.db2.gz FYJWJRMZACIFSG-UHFFFAOYSA-N 0 0 269.352 2.813 50 0 CFAARN Cc1n[nH]c(C)c1Cc1nncn1-c1cccc(C)c1 ZINC000067847744 374008683 /nfs/dbraw/zinc/00/86/83/374008683.db2.gz HKBVVOGKLJOJED-UHFFFAOYSA-N 0 0 267.336 2.506 50 0 CFAARN CCNC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1C[C@@H]1C ZINC000067170932 373971670 /nfs/dbraw/zinc/97/16/70/373971670.db2.gz SKRSKGMWPNSLGN-WPRPVWTQSA-N 0 0 280.755 2.684 50 0 CFAARN O=C(NCc1ccnc(OCC2CC2)c1)Nc1cccnc1 ZINC000067427170 373979408 /nfs/dbraw/zinc/97/94/08/373979408.db2.gz ILDAZYUBINZKAY-UHFFFAOYSA-N 0 0 298.346 2.587 50 0 CFAARN CO[C@H](C)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000068127526 374022067 /nfs/dbraw/zinc/02/20/67/374022067.db2.gz KRHYGBHFSHILAJ-TZMCWYRMSA-N 0 0 264.369 2.504 50 0 CFAARN Cc1cc(C)nc(N(C)CCc2nc3ccccc3[nH]2)n1 ZINC000067604603 373987979 /nfs/dbraw/zinc/98/79/79/373987979.db2.gz GFDISWOTRNSRRJ-UHFFFAOYSA-N 0 0 281.363 2.649 50 0 CFAARN CC[C@@H](c1ccc(OC)cc1)N(C)C(=O)c1ccnc(N)c1 ZINC000067649446 373988003 /nfs/dbraw/zinc/98/80/03/373988003.db2.gz QIJFELMBSUKOPZ-HNNXBMFYSA-N 0 0 299.374 2.896 50 0 CFAARN 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CFAARN Cc1ccc([C@H](C)NS(=O)(=O)CC2CCCC2)cn1 ZINC000825191331 782005045 /nfs/dbraw/zinc/00/50/45/782005045.db2.gz ZHNUMYVUHVQOQX-LBPRGKRZSA-N 0 0 282.409 2.561 50 0 CFAARN Cc1ccccc1S(=O)(=O)NCCCC[C@@H]1CCCO1 ZINC000825235303 782007173 /nfs/dbraw/zinc/00/71/73/782007173.db2.gz DMDVIYWXJLJJLC-CQSZACIVSA-N 0 0 297.420 2.623 50 0 CFAARN Cc1nc([C@H]2CCOC(C)(C)C2)n(CC(F)(F)F)n1 ZINC000825292152 782008097 /nfs/dbraw/zinc/00/80/97/782008097.db2.gz SJGDVLILNSMBDK-VIFPVBQESA-N 0 0 277.290 2.821 50 0 CFAARN Cc1nc(-c2ccc3ccn(C)c3c2)n(CC(C)(C)O)n1 ZINC000825292094 782008227 /nfs/dbraw/zinc/00/82/27/782008227.db2.gz PMPVVLVXXVOHPH-UHFFFAOYSA-N 0 0 284.363 2.516 50 0 CFAARN Cc1nnc(N(C)Cc2nc3cc(C)c(C)cc3[nH]2)s1 ZINC000825296813 782008437 /nfs/dbraw/zinc/00/84/37/782008437.db2.gz YYGNVJUOUPZRHY-UHFFFAOYSA-N 0 0 287.392 2.976 50 0 CFAARN COc1cccc(C(=O)N2CCS[C@H](C)[C@H]2C)c1 ZINC000098010504 286441758 /nfs/dbraw/zinc/44/17/58/286441758.db2.gz MHFQEUJAOMAAEC-GHMZBOCLSA-N 0 0 265.378 2.661 50 0 CFAARN COc1cccc([C@@H]2CC(=O)Nc3c2nc2n3CCCC2)c1 ZINC000067908301 286462964 /nfs/dbraw/zinc/46/29/64/286462964.db2.gz IALSZJCLHGNGLH-ZDUSSCGKSA-N 0 0 297.358 2.702 50 0 CFAARN COc1cccc([C@H]2NC(=O)c3cccc(C)c3N2)c1OC ZINC000027577991 286469887 /nfs/dbraw/zinc/46/98/87/286469887.db2.gz UXJOGTKFZOPVLX-MRXNPFEDSA-N 0 0 298.342 2.866 50 0 CFAARN COc1cccc2c3c(c(=O)n(C)c12)C=CC(C)(C)O3 ZINC000015216874 286487377 /nfs/dbraw/zinc/48/73/77/286487377.db2.gz SYNIFQKDJZQOLI-UHFFFAOYSA-N 0 0 271.316 2.731 50 0 biogenic,in-vitro CFAARN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cccc3ccn(C)c32)cn1 ZINC000367414404 156327645 /nfs/dbraw/zinc/32/76/45/156327645.db2.gz CVNZMIVAOSBBAT-UONOGXRCSA-N 0 0 294.358 2.654 50 0 CFAARN Cc1cc(N2CCC(Oc3ncccc3C)CC2)nc(C)n1 ZINC000374006884 157056974 /nfs/dbraw/zinc/05/69/74/157056974.db2.gz YHHSLPABGYTGGT-UHFFFAOYSA-N 0 0 298.390 2.845 50 0 CFAARN C[C@H](CC1CCCC1)C(=O)N1CCC2(CCO2)CC1 ZINC000374465787 157117413 /nfs/dbraw/zinc/11/74/13/157117413.db2.gz FWXITSVXBVGUEI-CYBMUJFWSA-N 0 0 265.397 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Cc1cnccc1C(=O)N1CCCc2occc2C1 ZINC000288971732 302385106 /nfs/dbraw/zinc/38/51/06/302385106.db2.gz ATEKBWLBLAIROX-UHFFFAOYSA-N 0 0 256.305 2.572 50 0 CFAARN Cc1nc(C)c([C@@H]2NC(=O)[C@H]3CCCCN32)s1 ZINC000078757383 302578193 /nfs/dbraw/zinc/57/81/93/302578193.db2.gz NTFMTVKALHANHJ-MWLCHTKSSA-N 0 0 251.355 2.583 50 0 CFAARN Cc1nn(C)c2c1[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000072116034 302788740 /nfs/dbraw/zinc/78/87/40/302788740.db2.gz UJFWYGXHFWSWJS-AWEZNQCLSA-N 0 0 299.374 2.990 50 0 CFAARN Cn1ncc2c1ncnc2N1CCC[C@H]1CC(C)(C)C ZINC000065415626 303061808 /nfs/dbraw/zinc/06/18/08/303061808.db2.gz JOLJMTCGKXQUAY-NSHDSACASA-N 0 0 273.384 2.768 50 0 CFAARN C[C@H](NC(=O)CCC(=O)NC1CCCC1)C1=CCCCC1 ZINC000827989668 782064871 /nfs/dbraw/zinc/06/48/71/782064871.db2.gz QXQNYFLHGZQVII-ZDUSSCGKSA-N 0 0 292.423 2.831 50 0 CFAARN [O-][n+]1onc(C23CC4CC(CC(C4)C2)C3)c1Br ZINC000000300381 304849663 /nfs/dbraw/zinc/84/96/63/304849663.db2.gz UHPNJHIALXCOBJ-UHFFFAOYSA-N 0 0 299.168 2.538 50 0 CFAARN CC(C)c1ccc(-n2ncnc2CN2CCCCC2=O)cc1 ZINC000828263750 782084404 /nfs/dbraw/zinc/08/44/04/782084404.db2.gz BBJMIQCNZJQSKZ-UHFFFAOYSA-N 0 0 298.390 2.903 50 0 CFAARN CC(C)[C@H](NC(=O)c1ccsc1)c1nccn1C ZINC000534580325 328311608 /nfs/dbraw/zinc/31/16/08/328311608.db2.gz QSXYZVJJTPZRDS-NSHDSACASA-N 0 0 263.366 2.609 50 0 CFAARN CCCn1ncnc1[C@@H](C)NC(=O)c1cccc(F)c1C ZINC000534585398 328314941 /nfs/dbraw/zinc/31/49/41/328314941.db2.gz HAXKCPORYDQHNA-LLVKDONJSA-N 0 0 290.342 2.627 50 0 CFAARN CC(C)[C@@H](NC(=O)c1cc(Cl)cn1C)c1nccn1C ZINC000534586322 328315575 /nfs/dbraw/zinc/31/55/75/328315575.db2.gz NHLJNJQOIBETFV-GFCCVEGCSA-N 0 0 294.786 2.539 50 0 CFAARN CSCc1ccc(C(=O)NC[C@H](C)n2cc(C)cn2)o1 ZINC000534587837 328316224 /nfs/dbraw/zinc/31/62/24/328316224.db2.gz DUXUUYNXBTWZCG-NSHDSACASA-N 0 0 293.392 2.639 50 0 CFAARN COC[C@H](C)NC(=O)c1ccc(-c2cnc(C)c(C)n2)cc1 ZINC000534589140 328317330 /nfs/dbraw/zinc/31/73/30/328317330.db2.gz ZWTXRCSYKLBFBF-NSHDSACASA-N 0 0 299.374 2.525 50 0 CFAARN 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/nfs/dbraw/zinc/46/49/40/374464940.db2.gz QAWJRQHCTVQPKM-CQSZACIVSA-N 0 0 263.381 2.776 50 0 CFAARN Cc1ccc(NC(=O)Nc2cnc(N(C)C)nc2)cc1C ZINC000075161924 374465077 /nfs/dbraw/zinc/46/50/77/374465077.db2.gz BXZSAJQHEBOALM-UHFFFAOYSA-N 0 0 285.351 2.803 50 0 CFAARN O=C(C1CCCC1)N1CCOC[C@@H]1c1ccccc1 ZINC000074836608 374441727 /nfs/dbraw/zinc/44/17/27/374441727.db2.gz KNYSKAJVBBKUEI-OAHLLOKOSA-N 0 0 259.349 2.777 50 0 CFAARN CSCC[C@](C)(O)CNC(=O)Nc1ccccc1C ZINC000075157670 374465656 /nfs/dbraw/zinc/46/56/56/374465656.db2.gz ZSSHQNZFFAFGAG-AWEZNQCLSA-N 0 0 282.409 2.621 50 0 CFAARN CO[C@@]1(C)C[C@H](Nc2ccccc2S(C)(=O)=O)C1(C)C ZINC000075064790 374456580 /nfs/dbraw/zinc/45/65/80/374456580.db2.gz HJXDZOFKYXTUFH-ZFWWWQNUSA-N 0 0 297.420 2.706 50 0 CFAARN COCc1ccccc1C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000075093536 374456690 /nfs/dbraw/zinc/45/66/90/374456690.db2.gz YNYGJQWPEUAEAB-NVXWUHKLSA-N 0 0 291.391 2.504 50 0 CFAARN Cc1ccc(C(=O)N(C)Cc2cccc(Cl)c2)c(=O)[nH]1 ZINC000075118153 374457828 /nfs/dbraw/zinc/45/78/28/374457828.db2.gz VLEGQJPGRLSWJG-UHFFFAOYSA-N 0 0 290.750 2.609 50 0 CFAARN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000075130938 374460033 /nfs/dbraw/zinc/46/00/33/374460033.db2.gz HSRCGDOEPSLKPP-CYBMUJFWSA-N 0 0 273.336 2.516 50 0 CFAARN Cc1noc2ncc(NC(=O)c3cc(Cl)c[nH]3)cc12 ZINC000075126633 374460223 /nfs/dbraw/zinc/46/02/23/374460223.db2.gz CFPWELVLALFAFK-UHFFFAOYSA-N 0 0 276.683 2.765 50 0 CFAARN O=C(Nc1ccncc1)N[C@H](CCO)C1CCCCC1 ZINC000075139948 374460988 /nfs/dbraw/zinc/46/09/88/374460988.db2.gz BOHAFSLHNBAAGM-CQSZACIVSA-N 0 0 277.368 2.534 50 0 CFAARN COc1ccc2cc(NC(=O)Cc3cc(C)on3)ccc2n1 ZINC000075612395 374495743 /nfs/dbraw/zinc/49/57/43/374495743.db2.gz IOEMDQHVLDLMQN-UHFFFAOYSA-N 0 0 297.314 2.721 50 0 CFAARN Cc1nc(-c2c(C)cc(C)nc2NC(=O)c2ccco2)no1 ZINC000075550925 374491504 /nfs/dbraw/zinc/49/15/04/374491504.db2.gz NLTGHDNFYKRKMA-UHFFFAOYSA-N 0 0 298.302 2.902 50 0 CFAARN CC(C)c1nc([C@@H]2CCCN2CCc2ccccn2)no1 ZINC000075582658 374493545 /nfs/dbraw/zinc/49/35/45/374493545.db2.gz KIZSDGDENVZRAK-AWEZNQCLSA-N 0 0 286.379 2.968 50 0 CFAARN CC(C)c1nc([C@H]2CCCN2C[C@@H]2CCCCO2)no1 ZINC000075581766 374493754 /nfs/dbraw/zinc/49/37/54/374493754.db2.gz ZIYKBCVFRRYYKV-QWHCGFSZSA-N 0 0 279.384 2.899 50 0 CFAARN C[C@H](NC(=O)c1ccc(N2CCCC2)nn1)c1ccccc1 ZINC000075172563 374466816 /nfs/dbraw/zinc/46/68/16/374466816.db2.gz JLMPFYODDPABIK-ZDUSSCGKSA-N 0 0 296.374 2.568 50 0 CFAARN O=C(/C=C/c1cccs1)Nc1nc2c(s1)COCC2 ZINC000075166175 374466930 /nfs/dbraw/zinc/46/69/30/374466930.db2.gz MFRGNIKDWAQACY-ONEGZZNKSA-N 0 0 292.385 2.929 50 0 CFAARN CC(C)Oc1ccc(C(=O)NC[C@@H](O)c2ccoc2)cc1 ZINC000075171670 374467134 /nfs/dbraw/zinc/46/71/34/374467134.db2.gz QVCROOGTTOKNCJ-OAHLLOKOSA-N 0 0 289.331 2.530 50 0 CFAARN O=C(C[C@@H]1CCc2ccccc21)NCC1(O)CCCCC1 ZINC000075208903 374468473 /nfs/dbraw/zinc/46/84/73/374468473.db2.gz YYXKXWLEWGJSEB-HNNXBMFYSA-N 0 0 287.403 2.918 50 0 CFAARN CCOC(=O)c1cc(NC(=O)c2cccs2)cn1C ZINC000075215934 374468919 /nfs/dbraw/zinc/46/89/19/374468919.db2.gz GTPAKMJQJSHQQR-UHFFFAOYSA-N 0 0 278.333 2.516 50 0 CFAARN CCOC(=O)c1cnn2c1nc(C)cc2-c1ccccc1 ZINC000075279783 374473633 /nfs/dbraw/zinc/47/36/33/374473633.db2.gz ZJARMAWYESAFCK-UHFFFAOYSA-N 0 0 281.315 2.881 50 0 CFAARN CN1CC(C)(C)C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000075284487 374473859 /nfs/dbraw/zinc/47/38/59/374473859.db2.gz COVYSXSAEWWFGW-UHFFFAOYSA-N 0 0 266.728 2.765 50 0 CFAARN O=C(c1ccc2c(c1)CCN2C(=O)C1CC1)N1CCCCC1 ZINC000075351698 374476955 /nfs/dbraw/zinc/47/69/55/374476955.db2.gz XQDGGYQCAVQXFO-UHFFFAOYSA-N 0 0 298.386 2.612 50 0 CFAARN Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C)n2)c(C)o1 ZINC000076043222 374525011 /nfs/dbraw/zinc/52/50/11/374525011.db2.gz WVBJCAWXGHZGSE-GFCCVEGCSA-N 0 0 275.308 2.565 50 0 CFAARN CCc1cnc(NC(=O)c2cc3ccccc3c(=O)[nH]2)s1 ZINC000076066627 374528272 /nfs/dbraw/zinc/52/82/72/374528272.db2.gz VMRNPWCSNWIXOM-UHFFFAOYSA-N 0 0 299.355 2.799 50 0 CFAARN CCOCC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000076067126 374528438 /nfs/dbraw/zinc/52/84/38/374528438.db2.gz YXPVLRMOHQBIDP-ZDUSSCGKSA-N 0 0 279.405 2.664 50 0 CFAARN Cc1cc(C(=O)NCc2ccc(-c3cccnc3)cc2)on1 ZINC000076068565 374528948 /nfs/dbraw/zinc/52/89/48/374528948.db2.gz PLJGCAOZWFTZMX-UHFFFAOYSA-N 0 0 293.326 2.975 50 0 CFAARN c1ccc2[nH]c([C@@H]3CCCN(c4cnccn4)C3)nc2c1 ZINC000077515989 374563822 /nfs/dbraw/zinc/56/38/22/374563822.db2.gz HZSPXRLGYDEXML-GFCCVEGCSA-N 0 0 279.347 2.737 50 0 CFAARN C[C@@H]1CN(c2nc3ccccc3cc2CO)CCS1 ZINC000077964437 374564092 /nfs/dbraw/zinc/56/40/92/374564092.db2.gz YYIWHYJHZOOXSA-LLVKDONJSA-N 0 0 274.389 2.669 50 0 CFAARN CC1(C)Oc2cc(Br)ccc2NC1=O ZINC000076499721 374555198 /nfs/dbraw/zinc/55/51/98/374555198.db2.gz SZPRSMJCVKHIIX-UHFFFAOYSA-N 0 0 256.099 2.559 50 0 CFAARN CN(C)C(=O)CC[C@H]1CCCN(c2ccc(Cl)cn2)C1 ZINC000077437376 374561538 /nfs/dbraw/zinc/56/15/38/374561538.db2.gz BEHRDQJPVFAMEN-GFCCVEGCSA-N 0 0 295.814 2.820 50 0 CFAARN COc1ccccc1[C@@H](C)S[C@@H]1CCN(C)C1=O ZINC000079007380 374582830 /nfs/dbraw/zinc/58/28/30/374582830.db2.gz FJCXBKUNFFXFEU-ZWNOBZJWSA-N 0 0 265.378 2.720 50 0 CFAARN CO[C@@](C)(C(=O)Nc1ccnc(C)c1)c1ccccc1 ZINC000079001817 374582967 /nfs/dbraw/zinc/58/29/67/374582967.db2.gz ISORBFDEDFBINQ-MRXNPFEDSA-N 0 0 270.332 2.890 50 0 CFAARN Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)c(C)n1 ZINC000078949872 374577189 /nfs/dbraw/zinc/57/71/89/374577189.db2.gz HHHHFBXXKNNUFC-QGZVFWFLSA-N 0 0 296.370 2.912 50 0 CFAARN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ncc[nH]1 ZINC000079013208 374583067 /nfs/dbraw/zinc/58/30/67/374583067.db2.gz GTRUTKIMBKMVQS-NSHDSACASA-N 0 0 293.754 2.537 50 0 CFAARN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)S(C)(=O)=O ZINC000078985543 374578928 /nfs/dbraw/zinc/57/89/28/374578928.db2.gz MUSKCSIAZCHYJF-VHSXEESVSA-N 0 0 275.801 2.723 50 0 CFAARN Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1COCCO1 ZINC000078997411 374580433 /nfs/dbraw/zinc/58/04/33/374580433.db2.gz HVOFOIQAIAOGCD-HZPDHXFCSA-N 0 0 291.391 2.614 50 0 CFAARN Cc1nc(CN2CCN(c3ccccc3)CC2)cs1 ZINC000078281947 374566645 /nfs/dbraw/zinc/56/66/45/374566645.db2.gz KBRDNUZFMZNILU-UHFFFAOYSA-N 0 0 273.405 2.774 50 0 CFAARN COC(=O)[C@H](C)CSCc1noc(-c2ccccc2)n1 ZINC000079052970 374587869 /nfs/dbraw/zinc/58/78/69/374587869.db2.gz GPTAAEMHIQWCGG-SNVBAGLBSA-N 0 0 292.360 2.779 50 0 CFAARN CC[C@@H](CNC(=O)[C@H]1CCCOC1)Oc1cccc(F)c1 ZINC000079055195 374589029 /nfs/dbraw/zinc/58/90/29/374589029.db2.gz PDBVHBGHBWQUGY-JSGCOSHPSA-N 0 0 295.354 2.526 50 0 CFAARN CCSc1ccc(Cl)cc1C(=O)Nc1nc[nH]n1 ZINC000079054322 374589130 /nfs/dbraw/zinc/58/91/30/374589130.db2.gz XTCXGJFVIWTKGD-UHFFFAOYSA-N 0 0 282.756 2.822 50 0 CFAARN O=C(Nc1ccc(-c2ccccc2)nn1)c1cscn1 ZINC000079055665 374589289 /nfs/dbraw/zinc/58/92/89/374589289.db2.gz WMWAKXUVUCYRTG-UHFFFAOYSA-N 0 0 282.328 2.852 50 0 CFAARN C[C@@H](CO)S[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000079087423 374592816 /nfs/dbraw/zinc/59/28/16/374592816.db2.gz YBQLCVGXDHROSN-GXFFZTMASA-N 0 0 299.823 2.949 50 0 CFAARN c1ccc(OC[C@@H]2CCCN2Cc2nnc(C3CC3)o2)cc1 ZINC000079100082 374593750 /nfs/dbraw/zinc/59/37/50/374593750.db2.gz BEJDLYHTKWCXRF-AWEZNQCLSA-N 0 0 299.374 2.990 50 0 CFAARN Cc1cc(C(=O)CCC(=O)N[C@@H](C)CCCO)c(C)s1 ZINC000079095228 374594339 /nfs/dbraw/zinc/59/43/39/374594339.db2.gz HUPAIPMCYGGVGS-JTQLQIEISA-N 0 0 297.420 2.605 50 0 CFAARN CCOC(=O)CN(Cc1ccccc1F)C(C)(C)C ZINC000079111121 374596563 /nfs/dbraw/zinc/59/65/63/374596563.db2.gz ZEZLGNCVXCYXJS-UHFFFAOYSA-N 0 0 267.344 2.989 50 0 CFAARN Cc1cncc(C(=O)Nc2cnc3ccccc3n2)c1 ZINC000079024574 374584356 /nfs/dbraw/zinc/58/43/56/374584356.db2.gz DLSNIOYYDVRCNI-UHFFFAOYSA-N 0 0 264.288 2.586 50 0 CFAARN O=C(Cc1cccnc1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 ZINC000079033120 374585752 /nfs/dbraw/zinc/58/57/52/374585752.db2.gz XTXWYMRBLSNWOM-SJORKVTESA-N 0 0 296.370 2.740 50 0 CFAARN CCOC(=O)C[C@H](C)SCc1nc(-c2ccoc2)no1 ZINC000079358986 374606192 /nfs/dbraw/zinc/60/61/92/374606192.db2.gz VEJFKWVTBOUTLD-VIFPVBQESA-N 0 0 296.348 2.905 50 0 CFAARN CC(C)Cc1nnc(NC(=O)c2cc3ccccc3n2C)[nH]1 ZINC000079482294 374615729 /nfs/dbraw/zinc/61/57/29/374615729.db2.gz DBHUVVFOFCGULT-UHFFFAOYSA-N 0 0 297.362 2.747 50 0 CFAARN COc1ccsc1C(=O)Nc1ccc([S@](C)=O)cc1 ZINC000080542847 374660414 /nfs/dbraw/zinc/66/04/14/374660414.db2.gz QAVHTYSYBCDYRO-LJQANCHMSA-N 0 0 295.385 2.746 50 0 CFAARN CC(C)[C@@](C)(O)CNc1cncc(Br)c1 ZINC000080679602 374669503 /nfs/dbraw/zinc/66/95/03/374669503.db2.gz AACNNMAJYLOGIN-NSHDSACASA-N 0 0 273.174 2.663 50 0 CFAARN CSC[C@H](C)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000080752209 374670520 /nfs/dbraw/zinc/67/05/20/374670520.db2.gz JMEKADBKVODXKL-WDEREUQCSA-N 0 0 285.384 2.708 50 0 CFAARN Cc1ccc(/C=C/C(=O)NC[C@@](C)(O)c2ccc(C)o2)o1 ZINC000080901077 374676931 /nfs/dbraw/zinc/67/69/31/374676931.db2.gz CYEKUMIGSZXLNN-MNDMWVCDSA-N 0 0 289.331 2.527 50 0 CFAARN C[C@](O)(CNC(=O)C=C1CCCCC1)c1ccsc1 ZINC000080891946 374677541 /nfs/dbraw/zinc/67/75/41/374677541.db2.gz PECJTGBBYRHRMN-HNNXBMFYSA-N 0 0 279.405 2.962 50 0 CFAARN O=C(NCC[C@H](O)c1ccccc1)c1cccs1 ZINC000081254141 374688865 /nfs/dbraw/zinc/68/88/65/374688865.db2.gz IGZRJMVHMWWDDY-LBPRGKRZSA-N 0 0 261.346 2.602 50 0 CFAARN CCOC(=O)c1sc(-c2cccc(N)c2)nc1C ZINC000083456304 374745971 /nfs/dbraw/zinc/74/59/71/374745971.db2.gz OVKXAQAYSDVISE-UHFFFAOYSA-N 0 0 262.334 2.877 50 0 CFAARN Cc1cnc(NCc2ccc3c(c2)OCCO3)s1 ZINC000083456185 374746992 /nfs/dbraw/zinc/74/69/92/374746992.db2.gz UBMQSCCLJZSUQL-UHFFFAOYSA-N 0 0 262.334 2.835 50 0 CFAARN CC(=O)Nc1cccc(NCCCc2nc(C)no2)c1C ZINC000084041298 374760707 /nfs/dbraw/zinc/76/07/07/374760707.db2.gz URQNYVZPRMFIDT-UHFFFAOYSA-N 0 0 288.351 2.690 50 0 CFAARN CCC(=O)c1cccc(CC[C@@H]2CCS(=O)(=O)C2)c1 ZINC000082091505 374726093 /nfs/dbraw/zinc/72/60/93/374726093.db2.gz VERBCWGYAPGODG-CYBMUJFWSA-N 0 0 280.389 2.647 50 0 CFAARN CC(C)c1nc(CN(C)C(=O)CCc2cccs2)no1 ZINC000082098300 374726270 /nfs/dbraw/zinc/72/62/70/374726270.db2.gz SJJJPMTYUXFMOX-UHFFFAOYSA-N 0 0 293.392 2.846 50 0 CFAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1C ZINC000082324720 374735368 /nfs/dbraw/zinc/73/53/68/374735368.db2.gz JEVYANKVQIJBND-GFCCVEGCSA-N 0 0 252.745 2.681 50 0 CFAARN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000086729438 374806866 /nfs/dbraw/zinc/80/68/66/374806866.db2.gz MEVGBMFDXZMGJD-GFCCVEGCSA-N 0 0 271.719 2.918 50 0 CFAARN Cc1ccccc1C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000084234480 374770965 /nfs/dbraw/zinc/77/09/65/374770965.db2.gz LRULRFHOWYYFQP-UHFFFAOYSA-N 0 0 296.374 2.502 50 0 CFAARN Cc1nc([C@H]2CCCN2Cc2nc3ccccc3n2C)no1 ZINC000084281047 374774543 /nfs/dbraw/zinc/77/45/43/374774543.db2.gz DBEDMQRWUQKNCY-CQSZACIVSA-N 0 0 297.362 2.602 50 0 CFAARN CCc1nc(CC)n(Cc2nc(-c3ccsc3)no2)n1 ZINC000084490018 374778461 /nfs/dbraw/zinc/77/84/61/374778461.db2.gz QRXCFMMFQYZTAZ-UHFFFAOYSA-N 0 0 289.364 2.563 50 0 CFAARN c1ccc(C2(c3nc(-c4cnccn4)no3)CCC2)cc1 ZINC000084512508 374780402 /nfs/dbraw/zinc/78/04/02/374780402.db2.gz RVQODRDWOZMGJE-UHFFFAOYSA-N 0 0 278.315 2.997 50 0 CFAARN C[C@@H](NCc1ccc(Cl)o1)c1nnc2n1CCCC2 ZINC000084667996 374786792 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/nfs/dbraw/zinc/87/15/61/374871561.db2.gz JYCKLJFRCJNSIW-UHFFFAOYSA-N 0 0 269.776 2.708 50 0 CFAARN CCS[C@H]1CCC[C@H](Nc2ccc3nnc(C)n3n2)C1 ZINC000089275101 374892185 /nfs/dbraw/zinc/89/21/85/374892185.db2.gz CPSGRPYJBSRDBH-RYUDHWBXSA-N 0 0 291.424 2.909 50 0 CFAARN CCc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1C ZINC000089280047 374894179 /nfs/dbraw/zinc/89/41/79/374894179.db2.gz DDMANXJBZHWCCP-UWVGGRQHSA-N 0 0 259.309 2.616 50 0 CFAARN CCc1nc(COc2c(C)nn(C)c2C)cs1 ZINC000089289961 374894194 /nfs/dbraw/zinc/89/41/94/374894194.db2.gz SZZDXOZDVMXVRZ-UHFFFAOYSA-N 0 0 251.355 2.635 50 0 CFAARN CCS[C@@H]1CCCCN(C(=O)c2ccnnc2C)C1 ZINC000089275159 374894325 /nfs/dbraw/zinc/89/43/25/374894325.db2.gz IZYVXRIKWXPBJW-GFCCVEGCSA-N 0 0 279.409 2.533 50 0 CFAARN CCSC[C@@H](C)N(C)c1nc(C2CC2)ns1 ZINC000089275215 374894369 /nfs/dbraw/zinc/89/43/69/374894369.db2.gz FUKGWKISCIPGGO-MRVPVSSYSA-N 0 0 257.428 2.993 50 0 CFAARN CCc1nc(CS[C@H]2CCN(C3CC3)C2=O)cs1 ZINC000089289970 374894617 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O=C1N[C@]2(CCCc3ccccc32)NN1c1ccccc1 ZINC000003041857 280301445 /nfs/dbraw/zinc/30/14/45/280301445.db2.gz MHHZJYPMFYYVLT-QGZVFWFLSA-N 0 0 279.343 2.910 50 0 CFAARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000012374517 280316389 /nfs/dbraw/zinc/31/63/89/280316389.db2.gz LVBNTQRVWHUJOP-VXGBXAGGSA-N 0 0 261.708 2.796 50 0 CFAARN O=C1[C@H]2Cc3ccccc3CN2C(=S)N1c1ccccc1 ZINC000002797078 280328932 /nfs/dbraw/zinc/32/89/32/280328932.db2.gz ZOJHMHHALRFRQE-OAHLLOKOSA-N 0 0 294.379 2.745 50 0 CFAARN C[C@@H]1CN(Cc2csc(Br)c2)CCO1 ZINC000048009469 288222874 /nfs/dbraw/zinc/22/28/74/288222874.db2.gz WIMMGAOOBKLTFF-MRVPVSSYSA-N 0 0 276.199 2.731 50 0 CFAARN O=S(=O)(Oc1cccnc1)c1ccc(Cl)cc1 ZINC000004114411 280339531 /nfs/dbraw/zinc/33/95/31/280339531.db2.gz ROQJRRUJXYFNKB-UHFFFAOYSA-N 0 0 269.709 2.503 50 0 CFAARN Cc1cc(C)cc(OCc2cc(=O)n3ccsc3n2)c1 ZINC000009219157 280424635 /nfs/dbraw/zinc/42/46/35/280424635.db2.gz AHCKNBPZPQUSFW-UHFFFAOYSA-N 0 0 286.356 2.952 50 0 CFAARN O[C@H]1CCCN(c2nc(C(F)(F)F)nc3ccccc32)C1 ZINC000009737296 280444441 /nfs/dbraw/zinc/44/44/41/280444441.db2.gz WABVCWVDUFYHIN-VIFPVBQESA-N 0 0 297.280 2.610 50 0 CFAARN COc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000057407806 280453930 /nfs/dbraw/zinc/45/39/30/280453930.db2.gz RQOOARKWYWZNTB-UHFFFAOYSA-N 0 0 273.357 2.955 50 0 CFAARN c1nc2c3c4c(sc3nc(N3CCCC3)n2n1)CCCC4 ZINC000005556453 280509752 /nfs/dbraw/zinc/50/97/52/280509752.db2.gz NRXKNYADDRJFCD-UHFFFAOYSA-N 0 0 299.403 2.818 50 0 CFAARN CC(C)(C)[C@@H]1C[C@H](NC(=O)C2CC=CC2)CCO1 ZINC000095449023 280579546 /nfs/dbraw/zinc/57/95/46/280579546.db2.gz ZEIWYQUZXGYLIS-OLZOCXBDSA-N 0 0 251.370 2.663 50 0 CFAARN O=C(Nc1ccncc1F)c1ccc(Cl)cn1 ZINC000095979532 280579598 /nfs/dbraw/zinc/57/95/98/280579598.db2.gz VYHDQTVUIJBICW-UHFFFAOYSA-N 0 0 251.648 2.521 50 0 CFAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@H]2c1ccc(F)cc1 ZINC000072115975 280790170 /nfs/dbraw/zinc/79/01/70/280790170.db2.gz XBPHIOCZSMMCRN-NSHDSACASA-N 0 0 289.310 2.783 50 0 CFAARN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1Cl ZINC000003900988 280861041 /nfs/dbraw/zinc/86/10/41/280861041.db2.gz GYYUNYKCOJLLNO-IOQCUFBNSA-N 0 0 287.746 2.960 50 0 CFAARN Cc1ccc2c(c1)CC[C@H](c1nc(-c3ncc[nH]3)no1)O2 ZINC000285038845 281062554 /nfs/dbraw/zinc/06/25/54/281062554.db2.gz IZGNWUDPXLFGQK-GFCCVEGCSA-N 0 0 282.303 2.834 50 0 CFAARN Cc1ccc2c(c1)c1c3n2CCN([N+](=O)[O-])[C@H]3CCC1 ZINC000000131466 281130771 /nfs/dbraw/zinc/13/07/71/281130771.db2.gz HAXQMOWZBABKNS-AWEZNQCLSA-N 0 0 271.320 2.834 50 0 biogenic,in-vitro CFAARN Cc1cc(C(=O)N2CCC(OC3CCC3)CC2)ns1 ZINC000335189902 281158579 /nfs/dbraw/zinc/15/85/79/281158579.db2.gz JFAQIQATVPQOIZ-UHFFFAOYSA-N 0 0 280.393 2.625 50 0 CFAARN CC[C@H]1C[N@H+](CCC(=O)[O-])Cc2ccc(Cl)cc2O1 ZINC000299788313 281165943 /nfs/dbraw/zinc/16/59/43/281165943.db2.gz QIZMQLUMLCAESE-LBPRGKRZSA-N 0 0 283.755 2.788 50 0 CFAARN Cc1cccc(-n2cnnc2[C@H](C)N2CCCC2)c1 ZINC000067784937 281188447 /nfs/dbraw/zinc/18/84/47/281188447.db2.gz 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50 0 CFAARN COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)[O-])cc1 ZINC000225442199 295247794 /nfs/dbraw/zinc/24/77/94/295247794.db2.gz TXMAJSKZQPALDK-CQSZACIVSA-N 0 0 263.337 2.697 50 0 CFAARN COc1ccc([C@]23CCCN2c2ccccc2C(=O)N3)cc1 ZINC000000398925 295253144 /nfs/dbraw/zinc/25/31/44/295253144.db2.gz VKSGEJUKUQEJQV-SFHVURJKSA-N 0 0 294.354 2.892 50 0 CFAARN COc1ccccc1-c1noc2ncnc(N3CCCC3)c12 ZINC000035510534 295344975 /nfs/dbraw/zinc/34/49/75/295344975.db2.gz LOOWZIBUCIMGKS-UHFFFAOYSA-N 0 0 296.330 2.894 50 0 CFAARN Nc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100560715 295352544 /nfs/dbraw/zinc/35/25/44/295352544.db2.gz KDLGEEURYFHQDJ-AOOOYVTPSA-N 0 0 278.739 2.602 50 0 CFAARN Nc1nc2c(c(-c3cc(F)cc4cccnc43)n1)CCC2 ZINC000215371976 295369417 /nfs/dbraw/zinc/36/94/17/295369417.db2.gz IYJZPSAIXDDZON-UHFFFAOYSA-N 0 0 280.306 2.902 50 0 CFAARN Nc1nc2c(s1)[C@H](c1cccc(O)c1)CC(=O)N2 ZINC000032089551 295369796 /nfs/dbraw/zinc/36/97/96/295369796.db2.gz JAOPHXIMISIPPG-QMMMGPOBSA-N 0 0 261.306 2.555 50 0 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C[C@H]1CC[C@]2(CCN(S(=O)(=O)CCC(F)(F)F)C2)C1 ZINC000225449143 300078850 /nfs/dbraw/zinc/07/88/50/300078850.db2.gz BDVCQTNMJOQCFG-QWRGUYRKSA-N 0 0 299.358 2.781 50 0 CFAARN Cc1cc([C@@H](C)NC(=O)NC[C@@H]2CCCO2)c(C)s1 ZINC000047580020 301404802 /nfs/dbraw/zinc/40/48/02/301404802.db2.gz NCKAAIWLZALJDC-PWSUYJOCSA-N 0 0 282.409 2.904 50 0 CFAARN Cc1cccc2c(=O)cc(C)n(CC(=O)N3CCCCC3)c12 ZINC000000523049 302052551 /nfs/dbraw/zinc/05/25/51/302052551.db2.gz ULSBIXXFBNQONC-UHFFFAOYSA-N 0 0 298.386 2.631 50 0 CFAARN Cc1cnc(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC000252475199 302335510 /nfs/dbraw/zinc/33/55/10/302335510.db2.gz VUUGKPBBRKPFFQ-HZSPNIEDSA-N 0 0 273.380 2.874 50 0 CFAARN Cc1cnc(NC(=O)CCc2c(C)noc2C)s1 ZINC000007986637 302356411 /nfs/dbraw/zinc/35/64/11/302356411.db2.gz MSKXBZGROSXXNT-UHFFFAOYSA-N 0 0 265.338 2.628 50 0 CFAARN Cc1nc2c(cnn2C)c(N2CCC[C@@H]2C2CCCC2)n1 ZINC000054838598 302652963 /nfs/dbraw/zinc/65/29/63/302652963.db2.gz AKOIZKAEHGWSPM-CQSZACIVSA-N 0 0 285.395 2.831 50 0 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/nfs/dbraw/zinc/44/76/26/372447626.db2.gz PPSLELFFYXLITP-VIFPVBQESA-N 0 0 260.322 2.528 50 0 CFAARN CC(C)[C@@H](CO)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000032590406 372447941 /nfs/dbraw/zinc/44/79/41/372447941.db2.gz UGMLYEWEHNEXDS-LLVKDONJSA-N 0 0 292.404 2.526 50 0 CFAARN Cc1cc(-c2ccc(CO)cc2)nc(N2CCCCC2)n1 ZINC000032593217 372448103 /nfs/dbraw/zinc/44/81/03/372448103.db2.gz ANDBNRAXCMNQOP-UHFFFAOYSA-N 0 0 283.375 2.935 50 0 CFAARN COc1cccc2ncn([C@@H](C)Cc3ccccn3)c(=O)c21 ZINC000032587122 372448135 /nfs/dbraw/zinc/44/81/35/372448135.db2.gz KUDRBWVIFDWSKQ-LBPRGKRZSA-N 0 0 295.342 2.604 50 0 CFAARN Cc1nn(C[C@@H](C)C(=O)NC2CCCC2)c(C)c1Cl ZINC000032611194 372449115 /nfs/dbraw/zinc/44/91/15/372449115.db2.gz ILNFZOWTFJJNQB-SECBINFHSA-N 0 0 283.803 2.848 50 0 CFAARN CCn1nnc(NCc2ccc(Cl)cc2Cl)n1 ZINC000032617137 372450317 /nfs/dbraw/zinc/45/03/17/372450317.db2.gz XJRZWYBQMZQGCH-UHFFFAOYSA-N 0 0 272.139 2.612 50 0 CFAARN O=C1NC(=O)N(Cc2ccccc2)[C@@H]1c1cccs1 ZINC000032627590 372450723 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/nfs/dbraw/zinc/46/27/46/540462746.db2.gz CIWAFNFSQVTJOM-CHWSQXEVSA-N 0 0 262.353 2.944 50 0 CFAARN Cc1ccccc1Cn1cnc2cc(F)ccc2c1=O ZINC000008485811 540502221 /nfs/dbraw/zinc/50/22/21/540502221.db2.gz DCHRJUVYBJLZLI-UHFFFAOYSA-N 0 0 268.291 2.892 50 0 CFAARN Cc1noc(C)c1CNC(=O)c1ccc2ncccc2c1 ZINC000169751115 540533401 /nfs/dbraw/zinc/53/34/01/540533401.db2.gz FQDHQSUWXVSAEN-UHFFFAOYSA-N 0 0 281.315 2.770 50 0 CFAARN O=C([C@@H]1CC(=O)Nc2ccccc21)N1CCc2ccccc21 ZINC000012867343 295997974 /nfs/dbraw/zinc/99/79/74/295997974.db2.gz WZJNODGUIJFSEI-CQSZACIVSA-N 0 0 292.338 2.702 50 0 CFAARN COc1cc(Br)c2c(c1)C[C@@H](C(C)=O)CO2 ZINC000675064365 540649262 /nfs/dbraw/zinc/64/92/62/540649262.db2.gz YQMLHCXXOATECW-SECBINFHSA-N 0 0 285.137 2.598 50 0 CFAARN CN(C)C(=O)Nc1nc(Sc2ccccc2)ns1 ZINC000083844139 540679457 /nfs/dbraw/zinc/67/94/57/540679457.db2.gz BVOLGWOAERJPOQ-UHFFFAOYSA-N 0 0 280.378 2.783 50 0 CFAARN Cc1ncsc1C(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000084065667 540681522 /nfs/dbraw/zinc/68/15/22/540681522.db2.gz NTNASAWDKSJLLY-ZMLRMANQSA-N 0 0 281.377 2.812 50 0 CFAARN Cc1nc(CC(=O)N[C@H]2CCCc3occc32)cs1 ZINC000084272082 540683128 /nfs/dbraw/zinc/68/31/28/540683128.db2.gz GMVDBJQCHXXJCQ-LBPRGKRZSA-N 0 0 276.361 2.781 50 0 CFAARN CC(C)c1cc(C(=O)N2CCC(n3cccc3)CC2)[nH]n1 ZINC000084622450 540684740 /nfs/dbraw/zinc/68/47/40/540684740.db2.gz UFZZTTYDUJCUND-UHFFFAOYSA-N 0 0 286.379 2.812 50 0 CFAARN CN(C[C@@H]1CCOC1)C(=O)c1ccc(Cl)s1 ZINC000177257438 189040086 /nfs/dbraw/zinc/04/00/86/189040086.db2.gz VOCOIYTWPQROBX-QMMMGPOBSA-N 0 0 259.758 2.510 50 0 CFAARN CCO[C@@H]1C[C@H](Nc2ncccn2)[C@@H]1Oc1ccccc1 ZINC000275044294 192891301 /nfs/dbraw/zinc/89/13/01/192891301.db2.gz ZGNFHYNNKRMRSD-ZNMIVQPWSA-N 0 0 285.347 2.514 50 0 CFAARN CCc1nc(C)ncc1C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000095401743 540724783 /nfs/dbraw/zinc/72/47/83/540724783.db2.gz LJTCLTSXYDSRCH-DOMZBBRYSA-N 0 0 273.380 2.752 50 0 CFAARN Cc1ncn(Cc2nnc(-c3ccc(F)cc3)o2)c1C ZINC000095405131 540724811 /nfs/dbraw/zinc/72/48/11/540724811.db2.gz RPEJBFXKBFCJGX-UHFFFAOYSA-N 0 0 272.283 2.737 50 0 CFAARN O=C(c1cc(-c2cc(F)ccc2F)no1)N1CCCC1 ZINC000095396672 540724837 /nfs/dbraw/zinc/72/48/37/540724837.db2.gz RJZLOCIYACHYPW-UHFFFAOYSA-N 0 0 278.258 2.856 50 0 CFAARN O=C(c1cc(Cl)c[nH]1)N1CC[C@H](O)c2ccccc2C1 ZINC000095467304 540725017 /nfs/dbraw/zinc/72/50/17/540725017.db2.gz JQZDHHJTDOVUMW-AWEZNQCLSA-N 0 0 290.750 2.748 50 0 CFAARN CC1CCC2(CCN(C(=O)C3CCOCC3)C2)CC1 ZINC000095959742 540725791 /nfs/dbraw/zinc/72/57/91/540725791.db2.gz NFYOHIXJHXIXIT-UHFFFAOYSA-N 0 0 265.397 2.842 50 0 CFAARN O[C@@H](Cn1cc(Cl)cn1)c1cccc(Cl)c1 ZINC000095974762 540725846 /nfs/dbraw/zinc/72/58/46/540725846.db2.gz NPQROURCWGHONA-NSHDSACASA-N 0 0 257.120 2.924 50 0 CFAARN CCc1ccc2nc(C[C@@H]3CCCCO3)[nH]c(=O)c2c1 ZINC000095993726 540726309 /nfs/dbraw/zinc/72/63/09/540726309.db2.gz CQOMVWMKECAXJB-LBPRGKRZSA-N 0 0 272.348 2.597 50 0 CFAARN CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1cccnn1 ZINC000095992531 540726449 /nfs/dbraw/zinc/72/64/49/540726449.db2.gz BSGAGVMASJMTPH-UHFFFAOYSA-N 0 0 296.252 2.558 50 0 CFAARN Cc1nc(C)c(C(=O)N2CCc3c2cccc3C)o1 ZINC000089688968 540718729 /nfs/dbraw/zinc/71/87/29/540718729.db2.gz RDKFAANQZYRNIT-UHFFFAOYSA-N 0 0 256.305 2.803 50 0 CFAARN Cc1ccc([C@@H](C)NC(=O)c2c(C)cc(C)[nH]c2=O)s1 ZINC000089656305 540718896 /nfs/dbraw/zinc/71/88/96/540718896.db2.gz IQZGOSOZVBNAKV-LLVKDONJSA-N 0 0 290.388 2.853 50 0 CFAARN CC(C)(C)[C@H](NC(=O)N1CCOCC1)c1cccc(F)c1 ZINC000089621619 540718939 /nfs/dbraw/zinc/71/89/39/540718939.db2.gz QDPXRGIFRHNOLY-CQSZACIVSA-N 0 0 294.370 2.955 50 0 CFAARN O=C(CCc1nc2c(cccc2F)[nH]1)N1CCCCC1 ZINC000089800215 540719358 /nfs/dbraw/zinc/71/93/58/540719358.db2.gz ARFJUQMGHLSINT-UHFFFAOYSA-N 0 0 275.327 2.647 50 0 CFAARN Brc1cccc2c1ccnc2N1CCOCC1 ZINC000089807748 540719435 /nfs/dbraw/zinc/71/94/35/540719435.db2.gz QMKJRWJKIZVKQZ-UHFFFAOYSA-N 0 0 293.164 2.834 50 0 CFAARN CC(C)c1cc(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)on1 ZINC000089893361 540720537 /nfs/dbraw/zinc/72/05/37/540720537.db2.gz AISSEIPCZPNXLV-TXEJJXNPSA-N 0 0 260.337 2.836 50 0 CFAARN Cc1ccc(CCNC(=O)N2CC[C@H](C)C[C@@H]2C)cn1 ZINC000098013015 540883441 /nfs/dbraw/zinc/88/34/41/540883441.db2.gz UPPKDDWWGMDPIP-JSGCOSHPSA-N 0 0 275.396 2.763 50 0 CFAARN O=C(NCCc1cccc(O)c1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000098016018 540884060 /nfs/dbraw/zinc/88/40/60/540884060.db2.gz IIXCEQPAWCWONG-GASCZTMLSA-N 0 0 286.375 2.542 50 0 CFAARN O=C(c1occ2c1CCC2)N1CCc2ccccc2[C@@H]1CO ZINC000585081989 540937473 /nfs/dbraw/zinc/93/74/73/540937473.db2.gz MIOUUUZMQBGIQH-INIZCTEOSA-N 0 0 297.354 2.500 50 0 CFAARN O=C(CCc1cccc(Cl)c1)N1CC(C(F)F)C1 ZINC000585392072 540939561 /nfs/dbraw/zinc/93/95/61/540939561.db2.gz VODYDLPCHLYYCD-UHFFFAOYSA-N 0 0 273.710 2.996 50 0 CFAARN C[C@@H]1[C@H](C)OCCN1C(=O)Nc1ccc2ncsc2c1 ZINC000180186653 189241768 /nfs/dbraw/zinc/24/17/68/189241768.db2.gz GWWLLRHQYFSTTC-ZJUUUORDSA-N 0 0 291.376 2.937 50 0 CFAARN CC[C@@H](NC(=O)c1csc(N)n1)c1nc(C)c(C)s1 ZINC000299786718 200872566 /nfs/dbraw/zinc/87/25/66/200872566.db2.gz PQGAGCHOFRNRAR-MRVPVSSYSA-N 0 0 296.421 2.680 50 0 CFAARN Clc1cccc(Cn2ncnc2[C@@H]2CCCO2)c1 ZINC000670434326 540992799 /nfs/dbraw/zinc/99/27/99/540992799.db2.gz SQOCFKDNCHRQCA-LBPRGKRZSA-N 0 0 263.728 2.831 50 0 CFAARN Cc1n[nH]c(CN2CCC[C@@H](c3ccncn3)C2)c1Cl ZINC000670435478 540993028 /nfs/dbraw/zinc/99/30/28/540993028.db2.gz NYIHTPMQTQTNIV-LLVKDONJSA-N 0 0 291.786 2.541 50 0 CFAARN CCc1[nH]nc2c1CN(Cc1cc(OC)ccc1F)CC2 ZINC000670437098 540994074 /nfs/dbraw/zinc/99/40/74/540994074.db2.gz BYXHSWTWBRAOCS-UHFFFAOYSA-N 0 0 289.354 2.678 50 0 CFAARN COc1cccc(CN(C)Cc2nc(C)c(C)n2C)c1 ZINC000670440532 540995826 /nfs/dbraw/zinc/99/58/26/540995826.db2.gz WRJWMEMUWGTPSH-UHFFFAOYSA-N 0 0 273.380 2.678 50 0 CFAARN CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1cncn1C1CC1 ZINC000670444451 540997110 /nfs/dbraw/zinc/99/71/10/540997110.db2.gz YWWJXBVWLJZOLE-QGZVFWFLSA-N 0 0 293.370 2.938 50 0 CFAARN CCNc1cc(C)nc2nc(-c3ccccc3)nn21 ZINC000015780419 540998062 /nfs/dbraw/zinc/99/80/62/540998062.db2.gz FQLWJZWTMWYLRW-UHFFFAOYSA-N 0 0 253.309 2.532 50 0 CFAARN CCc1cc(CN2CCN(c3cccc(C)c3)CC2)[nH]n1 ZINC000670450435 540998771 /nfs/dbraw/zinc/99/87/71/540998771.db2.gz BRCMBRIZDAMZRW-UHFFFAOYSA-N 0 0 284.407 2.603 50 0 CFAARN Cc1cccnc1[C@H](NC(=O)Cc1cccnc1)C1CC1 ZINC000299802446 200880420 /nfs/dbraw/zinc/88/04/20/200880420.db2.gz MDCCKDPPUSYYIJ-QGZVFWFLSA-N 0 0 281.359 2.595 50 0 CFAARN FC(F)Oc1ccc(CN2CCc3nocc3C2)cc1 ZINC000670458220 541001974 /nfs/dbraw/zinc/00/19/74/541001974.db2.gz CCOYUNXWJUIZPD-UHFFFAOYSA-N 0 0 280.274 2.834 50 0 CFAARN Cc1ccccc1Cn1ncnc1C[C@H]1CCCOC1 ZINC000670457433 541002039 /nfs/dbraw/zinc/00/20/39/541002039.db2.gz PCOSMNZBCNOMCE-CQSZACIVSA-N 0 0 271.364 2.604 50 0 CFAARN Cc1nc2c([nH]1)CCN(C(=O)CCCc1cccs1)C2 ZINC000670459543 541002066 /nfs/dbraw/zinc/00/20/66/541002066.db2.gz XXGXUTAWAIJIOF-UHFFFAOYSA-N 0 0 289.404 2.687 50 0 CFAARN CCCCn1ncnc1-c1ccc(N2CCOCC2)cc1 ZINC000670459559 541002201 /nfs/dbraw/zinc/00/22/01/541002201.db2.gz BZKBZQPRSUBBFR-UHFFFAOYSA-N 0 0 286.379 2.582 50 0 CFAARN O=C(NC1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000015516832 540988983 /nfs/dbraw/zinc/98/89/83/540988983.db2.gz LMOJJAKLRUINPH-UHFFFAOYSA-N 0 0 269.344 2.873 50 0 CFAARN CC(C)n1ncnc1-c1cc(-c2ccccc2)n(C)n1 ZINC000670461915 541004462 /nfs/dbraw/zinc/00/44/62/541004462.db2.gz MIKKBNUSJPXAFA-UHFFFAOYSA-N 0 0 267.336 2.927 50 0 CFAARN CC(C)c1nc(CN2CCC[C@H](c3cc[nH]n3)C2)co1 ZINC000670462940 541005213 /nfs/dbraw/zinc/00/52/13/541005213.db2.gz BOMDOWREEYCSQA-LBPRGKRZSA-N 0 0 274.368 2.901 50 0 CFAARN C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccn2)O1 ZINC000180597004 189264776 /nfs/dbraw/zinc/26/47/76/189264776.db2.gz HJDLJOZJRRUJMI-VXNVDRBHSA-N 0 0 274.242 2.606 50 0 CFAARN Cc1n[nH]cc1CN(C)Cc1ccc(C(F)(F)F)nc1 ZINC000670468295 541007160 /nfs/dbraw/zinc/00/71/60/541007160.db2.gz XJCLISILGXDQJU-UHFFFAOYSA-N 0 0 284.285 2.764 50 0 CFAARN Cc1cccc(C[C@@H](C)Nc2nc(C)ncc2C)n1 ZINC000670469193 541008080 /nfs/dbraw/zinc/00/80/80/541008080.db2.gz CLUAAPJSQMBMFK-GFCCVEGCSA-N 0 0 256.353 2.840 50 0 CFAARN CCCc1cnc(C)nc1N1CC[C@H](O)CC(C)(C)C1 ZINC000670472042 541010471 /nfs/dbraw/zinc/01/04/71/541010471.db2.gz IUMKINHNNXCOKM-AWEZNQCLSA-N 0 0 277.412 2.725 50 0 CFAARN CCCCc1nc(Cl)c(CN2CCc3nocc3C2)[nH]1 ZINC000670474149 541011630 /nfs/dbraw/zinc/01/16/30/541011630.db2.gz VMDFQSJCQSJPNI-UHFFFAOYSA-N 0 0 294.786 2.952 50 0 CFAARN C[C@H]1SCCN(C(=O)c2ccc3c(c2)CCO3)[C@@H]1C ZINC000084678532 291257394 /nfs/dbraw/zinc/25/73/94/291257394.db2.gz ZIDGSIULRFNQBX-GHMZBOCLSA-N 0 0 277.389 2.588 50 0 CFAARN Cc1ccc2nc(COc3ccc(F)cc3)[nH]c(=O)c2c1 ZINC000180972011 189285042 /nfs/dbraw/zinc/28/50/42/189285042.db2.gz XOLLAZXAXARGTN-UHFFFAOYSA-N 0 0 284.290 2.950 50 0 CFAARN c1cnn(C[C@H](Nc2cnccn2)c2ccccc2)c1 ZINC000032590349 541053637 /nfs/dbraw/zinc/05/36/37/541053637.db2.gz GOWOGYSYYIJIHI-AWEZNQCLSA-N 0 0 265.320 2.527 50 0 CFAARN CCN(C(=O)[C@H](OC)c1ccccc1)c1cccnc1 ZINC000182315934 189320042 /nfs/dbraw/zinc/32/00/42/189320042.db2.gz DHUHPHPCHBYKKF-OAHLLOKOSA-N 0 0 270.332 2.822 50 0 CFAARN CCc1cnccc1C(=O)N[C@@H]1C[C@H](OC)C1(CC)CC ZINC000182574775 189328559 /nfs/dbraw/zinc/32/85/59/189328559.db2.gz RMNJNQHPRBXHKE-CABCVRRESA-N 0 0 290.407 2.968 50 0 CFAARN COC(=O)CCCC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000182789172 189335368 /nfs/dbraw/zinc/33/53/68/189335368.db2.gz JMTIBVHJNPHULL-BLLLJJGKSA-N 0 0 275.348 2.549 50 0 CFAARN Nc1nc2scc(-c3ccc(Cl)cc3)n2n1 ZINC000031891236 283693541 /nfs/dbraw/zinc/69/35/41/283693541.db2.gz QYLDSPVRPAPPRJ-UHFFFAOYSA-N 0 0 250.714 2.693 50 0 CFAARN CCc1ncnc(Oc2cccc(-n3ccnn3)c2)c1F ZINC000302166073 201376958 /nfs/dbraw/zinc/37/69/58/201376958.db2.gz RJHGLUBXVIEXRV-UHFFFAOYSA-N 0 0 285.282 2.551 50 0 CFAARN O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000187760266 189476367 /nfs/dbraw/zinc/47/63/67/189476367.db2.gz NZNFAVCSJFWZSE-XHSDSOJGSA-N 0 0 273.376 2.693 50 0 CFAARN COc1cc(NC(=O)c2c(F)cccc2Cl)ncn1 ZINC000077198752 541342340 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177290880 /nfs/dbraw/zinc/29/08/80/177290880.db2.gz CPKOUQUOGRMMMF-ISTVAULSSA-N 0 0 286.379 2.821 50 0 CFAARN CSC[C@@H](CCO)NC(=O)Nc1cc(C)ccc1C ZINC000077658203 177291664 /nfs/dbraw/zinc/29/16/64/177291664.db2.gz HELYSFSFPCZVCZ-GFCCVEGCSA-N 0 0 282.409 2.539 50 0 CFAARN CCOc1cc(NC(=O)NC[C@H](C)C[C@@H](C)O)ccc1C ZINC000077699875 177294787 /nfs/dbraw/zinc/29/47/87/177294787.db2.gz IBWUBJLKTDYHBB-DGCLKSJQSA-N 0 0 294.395 2.922 50 0 CFAARN CSCc1cccc(NC(=O)N[C@H](C)[C@H](C)CO)c1 ZINC000077705359 177295361 /nfs/dbraw/zinc/29/53/61/177295361.db2.gz CWJRLFRMRJKDQX-GHMZBOCLSA-N 0 0 282.409 2.688 50 0 CFAARN CNC(=O)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000077750145 177298959 /nfs/dbraw/zinc/29/89/59/177298959.db2.gz BUKNBOPZPUINGX-MRXNPFEDSA-N 0 0 284.359 2.874 50 0 CFAARN COCCCNC(=O)CS[C@H](C)c1cccs1 ZINC000077960711 177313443 /nfs/dbraw/zinc/31/34/43/177313443.db2.gz LJHVOABVYQXJDE-SNVBAGLBSA-N 0 0 273.423 2.695 50 0 CFAARN CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(C)on1 ZINC000078315882 177332705 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2.828 50 0 CFAARN O=C(NCc1ccc(-c2cccnc2)cc1)[C@H]1CCCOC1 ZINC000096433321 393832514 /nfs/dbraw/zinc/83/25/14/393832514.db2.gz HERNXVUIIMVYAY-KRWDZBQOSA-N 0 0 296.370 2.791 50 0 CFAARN CCCc1nnc(NC(=O)NCC(C)(C)SC)s1 ZINC000096433818 393832568 /nfs/dbraw/zinc/83/25/68/393832568.db2.gz LCAPFTMGLSRBCL-UHFFFAOYSA-N 0 0 288.442 2.754 50 0 CFAARN CCSCC[C@@H](C)NC(=O)c1ccc[nH]c1=S ZINC000096433100 393832587 /nfs/dbraw/zinc/83/25/87/393832587.db2.gz QVPFZDXIFZMGGT-SECBINFHSA-N 0 0 270.423 2.632 50 0 CFAARN CCOCC(=O)N[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000096433001 393832623 /nfs/dbraw/zinc/83/26/23/393832623.db2.gz UEONCIVFWGTRIO-AWEZNQCLSA-N 0 0 267.344 2.546 50 0 CFAARN CCSCC[C@H](C)NC(=O)[C@@H]1COc2ccccc21 ZINC000096433061 393832795 /nfs/dbraw/zinc/83/27/95/393832795.db2.gz WPWUFEULEVXTHI-WCQYABFASA-N 0 0 279.405 2.811 50 0 CFAARN Cc1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CCC4)cc1 ZINC000100505634 393845166 /nfs/dbraw/zinc/84/51/66/393845166.db2.gz IACJLKYFKIXRQL-UHFFFAOYSA-N 0 0 265.316 2.899 50 0 CFAARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccccn2)C1 ZINC000102290746 393851025 /nfs/dbraw/zinc/85/10/25/393851025.db2.gz DHVXJGAIWJIJOA-AWEZNQCLSA-N 0 0 295.346 2.981 50 0 CFAARN Cc1ccoc1C(=O)N1CCN[C@H](c2cccc(F)c2)C1 ZINC000252497004 393936051 /nfs/dbraw/zinc/93/60/51/393936051.db2.gz PXIAZDQBQAZGFE-AWEZNQCLSA-N 0 0 288.322 2.514 50 0 CFAARN CCN1C[C@@H](C)N(C(=O)c2sccc2C)C[C@H]1C ZINC000252511176 393936777 /nfs/dbraw/zinc/93/67/77/393936777.db2.gz DRCNVAHSWYGGNJ-VXGBXAGGSA-N 0 0 266.410 2.611 50 0 CFAARN O=c1c2ccccc2nc2n1CCCN2Cc1ccccc1 ZINC000008765119 134487628 /nfs/dbraw/zinc/48/76/28/134487628.db2.gz WQHQUIOXAJNRNO-UHFFFAOYSA-N 0 0 291.354 2.807 50 0 CFAARN c1csc([C@H]2CN(c3ncnc4ccccc43)CCO2)n1 ZINC000097203835 134513696 /nfs/dbraw/zinc/51/36/96/134513696.db2.gz IDGNPMIIGZXUCP-CYBMUJFWSA-N 0 0 298.371 2.664 50 0 CFAARN c1nc2sc3c(c2c(N2CCOCC2)n1)CCCCC3 ZINC000000068562 134517769 /nfs/dbraw/zinc/51/77/69/134517769.db2.gz NSVZHHADHBUBDH-UHFFFAOYSA-N 0 0 289.404 2.797 50 0 CFAARN 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CCc1nc2ccc(C(=O)N3CCC3)cc2nc1CC ZINC000032845251 542997779 /nfs/dbraw/zinc/99/77/79/542997779.db2.gz NOZCVZVPSNTPKI-UHFFFAOYSA-N 0 0 269.348 2.601 50 0 CFAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)nc2)C1 ZINC000033185587 542999208 /nfs/dbraw/zinc/99/92/08/542999208.db2.gz YKMSSXMFYWYOOK-OCCSQVGLSA-N 0 0 284.363 2.576 50 0 CFAARN Cc1nn(CN2CCC[C@@H]3CCCC[C@H]32)c(=S)n1C ZINC000036476331 543021657 /nfs/dbraw/zinc/02/16/57/543021657.db2.gz XAFSZFRWKGBVGZ-QWHCGFSZSA-N 0 0 280.441 2.872 50 0 CFAARN Cc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000041194625 292059200 /nfs/dbraw/zinc/05/92/00/292059200.db2.gz HWOUBRVNMOGTKP-LSDHHAIUSA-N 0 0 259.349 2.779 50 0 CFAARN Cc1ccc(C(=O)N2C[C@H](C)OC[C@H]2c2ccccc2)cn1 ZINC000098014169 292068833 /nfs/dbraw/zinc/06/88/33/292068833.db2.gz UXWUZOHJSZBXEH-YOEHRIQHSA-N 0 0 296.370 2.992 50 0 CFAARN CN(C)C(=O)Cc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000048640353 543093347 /nfs/dbraw/zinc/09/33/47/543093347.db2.gz NFHUXVIWQNBFIQ-UHFFFAOYSA-N 0 0 286.400 2.930 50 0 CFAARN Cc1ccc(C(=O)N2c3ccccc3O[C@@H](C)C2=O)cc1 ZINC000000069370 292070886 /nfs/dbraw/zinc/07/08/86/292070886.db2.gz JPYZYBYDMWWEGH-LBPRGKRZSA-N 0 0 281.311 2.949 50 0 CFAARN CC1CCC2(CCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC000104071454 543103762 /nfs/dbraw/zinc/10/37/62/543103762.db2.gz FRKHPUWVKCMCSA-JVWICGRDSA-N 0 0 251.370 2.594 50 0 CFAARN CCCc1onc(C)c1C(=O)N1CCOC2(CCCC2)C1 ZINC000104292006 543103812 /nfs/dbraw/zinc/10/38/12/543103812.db2.gz JPKJWNGLJUOEBF-UHFFFAOYSA-N 0 0 292.379 2.721 50 0 CFAARN O=c1ccc2cc(Br)cc(Cl)c2[nH]1 ZINC000070054907 296532303 /nfs/dbraw/zinc/53/23/03/296532303.db2.gz RJIPPGGSXPKBAB-UHFFFAOYSA-N 0 0 258.502 2.944 50 0 CFAARN Cc1ccc(C)c([C@H]2C[N@H+](CCC(=O)[O-])[C@H](C)CO2)c1 ZINC000240900771 292088422 /nfs/dbraw/zinc/08/84/22/292088422.db2.gz ITTNTLDSZHSCBL-UKRRQHHQSA-N 0 0 277.364 2.540 50 0 CFAARN CC[C@@H]1CN(C(=O)Nc2cc(F)ccc2C)CCO1 ZINC000040525975 397552240 /nfs/dbraw/zinc/55/22/40/397552240.db2.gz SMTWXGSAWKZAHU-GFCCVEGCSA-N 0 0 266.316 2.777 50 0 CFAARN CC[C@H](C)C(=O)Nc1ccc(-n2ccnc2C)nc1 ZINC000047385271 397585738 /nfs/dbraw/zinc/58/57/38/397585738.db2.gz NPZQLSOFICPMIK-JTQLQIEISA-N 0 0 258.325 2.560 50 0 CFAARN Cc1csc(CNC(=O)N2CCc3ccccc3C2)n1 ZINC000044894034 397569736 /nfs/dbraw/zinc/56/97/36/397569736.db2.gz ZMMNSRRELKDCNB-UHFFFAOYSA-N 0 0 287.388 2.719 50 0 CFAARN O=C(NCc1ccoc1)Nc1ccn(Cc2ccccc2)n1 ZINC000044973492 397571269 /nfs/dbraw/zinc/57/12/69/397571269.db2.gz USTQAHHYTYTQHT-UHFFFAOYSA-N 0 0 296.330 2.846 50 0 CFAARN Cc1ccc(-c2cc(C)n[nH]c2=O)c(-n2cccn2)c1 ZINC000426370252 397573691 /nfs/dbraw/zinc/57/36/91/397573691.db2.gz WZRMFQYENHNGKK-UHFFFAOYSA-N 0 0 266.304 2.652 50 0 CFAARN COCCOc1ccc(-c2cnn(CC3CC3)c2)cc1 ZINC000426374479 397573710 /nfs/dbraw/zinc/57/37/10/397573710.db2.gz ZTYYEGYMJWMQHE-UHFFFAOYSA-N 0 0 272.348 2.985 50 0 CFAARN C[C@H](NC(=O)Nc1ccccc1CC(N)=O)c1ccccc1 ZINC000045725767 397577068 /nfs/dbraw/zinc/57/70/68/397577068.db2.gz ZHJIWEXKZJGLFV-LBPRGKRZSA-N 0 0 297.358 2.597 50 0 CFAARN 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372938551 /nfs/dbraw/zinc/93/85/51/372938551.db2.gz SAIWFYGSNPEQIT-UHFFFAOYSA-N 0 0 295.342 2.824 50 0 CFAARN Cc1noc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000042702715 372948234 /nfs/dbraw/zinc/94/82/34/372948234.db2.gz FURTYIIUOOVHKG-UHFFFAOYSA-N 0 0 271.198 2.649 50 0 CFAARN CC1(C)C[C@@H]1c1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1 ZINC000241701738 189904790 /nfs/dbraw/zinc/90/47/90/189904790.db2.gz QKUYTQWCWVJLMU-VXGBXAGGSA-N 0 0 289.379 2.699 50 0 CFAARN CCCC[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000241930294 189905174 /nfs/dbraw/zinc/90/51/74/189905174.db2.gz UHKSLQBMXVYZSQ-LLVKDONJSA-N 0 0 277.368 2.548 50 0 CFAARN COc1ccc(C[C@]2(O)CCCCCCC2=O)cc1 ZINC000043199239 372981644 /nfs/dbraw/zinc/98/16/44/372981644.db2.gz KMBHCIJWRXCLGP-MRXNPFEDSA-N 0 0 262.349 2.892 50 0 CFAARN CCN(Cc1cccc(F)c1)C(=O)Nc1nncs1 ZINC000043130825 372977183 /nfs/dbraw/zinc/97/71/83/372977183.db2.gz XPYZUSGWVFGEMO-UHFFFAOYSA-N 0 0 280.328 2.731 50 0 CFAARN Cc1ccccc1NC(=O)NCc1nnc2n1CCCCC2 ZINC000043135343 372977970 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Cc1cc2oc(=O)cc(CN3CCO[C@@H](C)C3)c2cc1C ZINC000025834673 372308486 /nfs/dbraw/zinc/30/84/86/372308486.db2.gz HTRQMPRKOKKOTN-ZDUSSCGKSA-N 0 0 287.359 2.631 50 0 CFAARN O=c1c2sccc2ncn1Cc1ccccc1F ZINC000026017586 372311956 /nfs/dbraw/zinc/31/19/56/372311956.db2.gz DGKWNULGFHNVAC-UHFFFAOYSA-N 0 0 260.293 2.645 50 0 CFAARN Fc1cccc(-c2nc(CSc3nc[nH]n3)co2)c1 ZINC000026015782 372312951 /nfs/dbraw/zinc/31/29/51/372312951.db2.gz VQWKGQKPSFZIEM-UHFFFAOYSA-N 0 0 276.296 2.891 50 0 CFAARN NC(=O)[C@@H](Nc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000026164359 372313809 /nfs/dbraw/zinc/31/38/09/372313809.db2.gz OGRMMAZNCJUIHL-ZDUSSCGKSA-N 0 0 292.285 2.927 50 0 CFAARN Cc1ccc(CSCCNC(=O)NCC2CC2)cc1 ZINC000026255698 372315557 /nfs/dbraw/zinc/31/55/57/372315557.db2.gz BTGRFXYOPKATDK-UHFFFAOYSA-N 0 0 278.421 2.937 50 0 CFAARN Cc1nn(C)c(C)c1NC(=O)CCC(=O)c1cccs1 ZINC000026406337 372319689 /nfs/dbraw/zinc/31/96/89/372319689.db2.gz LALMBELNZNPALN-UHFFFAOYSA-N 0 0 291.376 2.700 50 0 CFAARN Cc1nc2nc(N)ccc2c(C)c1Br ZINC000026439028 372320243 /nfs/dbraw/zinc/32/02/43/372320243.db2.gz WSSAHJGDLWNAMI-UHFFFAOYSA-N 0 0 252.115 2.591 50 0 CFAARN O=Cc1ccc(N2CCCC2)c(Br)c1 ZINC000026509895 372323863 /nfs/dbraw/zinc/32/38/63/372323863.db2.gz OPGXKDWGYYBIQB-UHFFFAOYSA-N 0 0 254.127 2.862 50 0 CFAARN Cc1cc(NC(=O)CN2CCCc3cc(F)ccc32)on1 ZINC000026624756 372325248 /nfs/dbraw/zinc/32/52/48/372325248.db2.gz HOEBUHZEBBCCAH-UHFFFAOYSA-N 0 0 289.310 2.513 50 0 CFAARN CN(CCOc1ccccc1)C(=O)NC1CCCC1 ZINC000026518911 372325522 /nfs/dbraw/zinc/32/55/22/372325522.db2.gz ZWCPUBBOKKOXGZ-UHFFFAOYSA-N 0 0 262.353 2.649 50 0 CFAARN Cc1nc(NC(=O)[C@@H](C)N(C)Cc2ccco2)sc1C ZINC000026902705 372331084 /nfs/dbraw/zinc/33/10/84/372331084.db2.gz TZANBURKJHUEBQ-SNVBAGLBSA-N 0 0 293.392 2.812 50 0 CFAARN COc1cc(C2N=NC(=S)N=N2)cc(OC)c1OC ZINC000027027761 372333530 /nfs/dbraw/zinc/33/35/30/372333530.db2.gz VEZTXRHOIKQNDD-UHFFFAOYSA-N 0 0 280.309 2.914 50 0 CFAARN Cn1cc(Cl)cc1C(=O)N1CCc2ccccc2C1 ZINC000027026424 372333637 /nfs/dbraw/zinc/33/36/37/372333637.db2.gz JLGLHXRNGZQJCL-UHFFFAOYSA-N 0 0 274.751 2.877 50 0 CFAARN C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cnn(C)c2)C2CC2)o1 ZINC000027276731 372336998 /nfs/dbraw/zinc/33/69/98/372336998.db2.gz MXXOUBPCLOWZBT-XHDPSFHLSA-N 0 0 299.374 2.941 50 0 CFAARN CSCC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000027296447 372337367 /nfs/dbraw/zinc/33/73/67/372337367.db2.gz FSJGAIDZBZELSP-SNVBAGLBSA-N 0 0 292.404 2.575 50 0 CFAARN CN(C)[C@H](CNC(=O)C1CCC1)c1ccccc1Cl ZINC000027346571 372339306 /nfs/dbraw/zinc/33/93/06/372339306.db2.gz FXHOVRWPFNFSGK-CQSZACIVSA-N 0 0 280.799 2.859 50 0 CFAARN CCCCCNC(=O)N(C)Cc1ccc(C(=O)OC)cc1 ZINC000027361801 372339617 /nfs/dbraw/zinc/33/96/17/372339617.db2.gz LXGHGMPXULFYOV-UHFFFAOYSA-N 0 0 292.379 2.805 50 0 CFAARN C[C@H](NC(=O)c1cc(F)ccc1F)c1ccncc1 ZINC000027405951 372341556 /nfs/dbraw/zinc/34/15/56/372341556.db2.gz IMHHCHGJVKOHHQ-VIFPVBQESA-N 0 0 262.259 2.851 50 0 CFAARN COc1cccc([C@@H]2NC(=O)c3cccc(C)c3N2)c1OC ZINC000027577986 372342930 /nfs/dbraw/zinc/34/29/30/372342930.db2.gz UXJOGTKFZOPVLX-INIZCTEOSA-N 0 0 298.342 2.866 50 0 CFAARN COc1cccc(SCC(=O)NCc2ccco2)c1 ZINC000027660979 372344786 /nfs/dbraw/zinc/34/47/86/372344786.db2.gz YDRVMMKPYIIJQA-UHFFFAOYSA-N 0 0 277.345 2.697 50 0 CFAARN Cc1nsc(NC(=O)COc2ccc(C(C)C)cc2)n1 ZINC000027739988 372346768 /nfs/dbraw/zinc/34/67/68/372346768.db2.gz BHAHIVWZQGBXBX-UHFFFAOYSA-N 0 0 291.376 2.987 50 0 CFAARN O=C1CS[C@@H](c2ccccn2)N1C1CCCCC1 ZINC000027753809 372348351 /nfs/dbraw/zinc/34/83/51/372348351.db2.gz JESQCRISKLGHDP-AWEZNQCLSA-N 0 0 262.378 2.988 50 0 CFAARN CCCCC(=O)NC[C@H](c1ccccc1OC)N(C)C ZINC000027794304 372348491 /nfs/dbraw/zinc/34/84/91/372348491.db2.gz PSWKEKUVJLOEOO-CQSZACIVSA-N 0 0 278.396 2.604 50 0 CFAARN O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccncc1 ZINC000027920657 372352037 /nfs/dbraw/zinc/35/20/37/372352037.db2.gz AZDJTHZKHZGKPR-UHFFFAOYSA-N 0 0 296.305 2.718 50 0 CFAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000028199995 372358372 /nfs/dbraw/zinc/35/83/72/372358372.db2.gz XTCSQDVDSLDTBP-GHMZBOCLSA-N 0 0 257.337 2.681 50 0 CFAARN Cc1cccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000028194943 372358567 /nfs/dbraw/zinc/35/85/67/372358567.db2.gz LMNGBLVDYDUBPN-ZDUSSCGKSA-N 0 0 288.734 2.986 50 0 CFAARN COc1ccc(C(=O)Nc2nc(C3CC3)cs2)cn1 ZINC000025562674 372303494 /nfs/dbraw/zinc/30/34/94/372303494.db2.gz UGQVXKUODDVAPQ-UHFFFAOYSA-N 0 0 275.333 2.676 50 0 CFAARN Cc1cc(C)n(CCNC(=O)Cc2ccc(Cl)cc2)n1 ZINC000028573917 372367990 /nfs/dbraw/zinc/36/79/90/372367990.db2.gz BNQGCRROXDKCBN-UHFFFAOYSA-N 0 0 291.782 2.512 50 0 CFAARN CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCCO2)c1 ZINC000028671819 372369958 /nfs/dbraw/zinc/36/99/58/372369958.db2.gz FLPYPIXHZCWUQK-ZDUSSCGKSA-N 0 0 263.337 2.807 50 0 CFAARN COc1ccc(Cl)cc1Nc1ncnc2n[nH]cc21 ZINC000031809588 372419036 /nfs/dbraw/zinc/41/90/36/372419036.db2.gz QRXVFMXAZSUUOM-UHFFFAOYSA-N 0 0 275.699 2.759 50 0 CFAARN O=C(Nc1nc2ccccc2s1)c1ccc2n[nH]nc2c1 ZINC000028835351 372370773 /nfs/dbraw/zinc/37/07/73/372370773.db2.gz MJLWTDPOWUXHPZ-UHFFFAOYSA-N 0 0 295.327 2.820 50 0 CFAARN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000029017537 372372492 /nfs/dbraw/zinc/37/24/92/372372492.db2.gz WAYUNURMXZRIOB-UHFFFAOYSA-N 0 0 268.744 2.814 50 0 CFAARN OC1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000028962475 372372962 /nfs/dbraw/zinc/37/29/62/372372962.db2.gz PCVCGJQYIDCYKZ-UHFFFAOYSA-N 0 0 292.766 2.952 50 0 CFAARN CC(C)CCC(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000029019158 372373013 /nfs/dbraw/zinc/37/30/13/372373013.db2.gz LJSABHKCZGLWOJ-UHFFFAOYSA-N 0 0 268.744 2.814 50 0 CFAARN COc1cc(CNC(=O)c2cc(C)ccc2C)ccn1 ZINC000029196020 372375851 /nfs/dbraw/zinc/37/58/51/372375851.db2.gz JHPMTWVNORPBAG-UHFFFAOYSA-N 0 0 270.332 2.637 50 0 CFAARN COC(=O)c1ccc(NCc2c(C)noc2C)cc1 ZINC000029398689 372379323 /nfs/dbraw/zinc/37/93/23/372379323.db2.gz YSGRVJBZVHQOTP-UHFFFAOYSA-N 0 0 260.293 2.690 50 0 CFAARN COc1ccc(F)cc1C(=O)NCCc1csc(C)n1 ZINC000029551435 372383222 /nfs/dbraw/zinc/38/32/22/372383222.db2.gz LYHMIRAODYBWHJ-UHFFFAOYSA-N 0 0 294.351 2.572 50 0 CFAARN Cc1nn(C)c(C)c1CCC(=O)NCc1ccccc1C ZINC000029657330 372384133 /nfs/dbraw/zinc/38/41/33/372384133.db2.gz IJABGUHCDANCAO-UHFFFAOYSA-N 0 0 285.391 2.594 50 0 CFAARN C[C@H](NC(=O)[C@H]1CC=CCC1)c1nnc2n1CCCCC2 ZINC000029896411 372387367 /nfs/dbraw/zinc/38/73/67/372387367.db2.gz IORYXHLEHAPNEQ-STQMWFEESA-N 0 0 288.395 2.538 50 0 CFAARN Cc1noc(CN2CCCc3c(F)cc(F)cc32)n1 ZINC000029921809 372387424 /nfs/dbraw/zinc/38/74/24/372387424.db2.gz IIFMLMPPADZLDU-UHFFFAOYSA-N 0 0 265.263 2.609 50 0 CFAARN Cc1cccnc1NC(=O)c1cc(-c2ccco2)[nH]n1 ZINC000030514905 372393744 /nfs/dbraw/zinc/39/37/44/372393744.db2.gz MSSPZWCBGZZMBQ-UHFFFAOYSA-N 0 0 268.276 2.625 50 0 CFAARN c1cnn(CCCNc2nc3ccccc3s2)c1 ZINC000030517588 372394666 /nfs/dbraw/zinc/39/46/66/372394666.db2.gz NEZJCIFZGGTZPW-UHFFFAOYSA-N 0 0 258.350 2.995 50 0 CFAARN CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCCC2)CC1 ZINC000030822990 372397967 /nfs/dbraw/zinc/39/79/67/372397967.db2.gz XFOYTRXLEICOMI-UHFFFAOYSA-N 0 0 296.411 2.692 50 0 CFAARN Cc1cc2c(ncnc2NCCC(=O)NCC(C)C)s1 ZINC000031868832 372420672 /nfs/dbraw/zinc/42/06/72/372420672.db2.gz QKRJOCUXXWFVAL-UHFFFAOYSA-N 0 0 292.408 2.574 50 0 CFAARN Cn1cc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cn1 ZINC000031110134 372403810 /nfs/dbraw/zinc/40/38/10/372403810.db2.gz SIDXCCCTCJSVTD-BQYQJAHWSA-N 0 0 293.370 2.749 50 0 CFAARN Cc1ccc(CSc2nnc(N)n2C2CC2)cc1 ZINC000031453504 372410574 /nfs/dbraw/zinc/41/05/74/372410574.db2.gz LDIKMRXACHYPRC-UHFFFAOYSA-N 0 0 260.366 2.796 50 0 CFAARN COc1ccc([C@@H](O)CNC(=O)c2ccc(C)cc2C)cc1 ZINC000031579576 372412389 /nfs/dbraw/zinc/41/23/89/372412389.db2.gz FZDZAJXCBAKJHO-KRWDZBQOSA-N 0 0 299.370 2.775 50 0 CFAARN Cc1cc(C)n(CC(=O)Nc2ccc3oc(C)nc3c2)n1 ZINC000031531327 372412628 /nfs/dbraw/zinc/41/26/28/372412628.db2.gz UOVMXXJBAKJWSA-UHFFFAOYSA-N 0 0 284.319 2.588 50 0 CFAARN Cc1cc(N)nc(SCC(=O)c2ccc(F)c(F)c2)n1 ZINC000031745626 372417274 /nfs/dbraw/zinc/41/72/74/372417274.db2.gz FZIQRZVQFPEQKO-UHFFFAOYSA-N 0 0 295.314 2.620 50 0 CFAARN Cc1ccc(CNC(=O)c2cc(-c3ccco3)n[nH]2)cc1 ZINC000028402733 372364201 /nfs/dbraw/zinc/36/42/01/372364201.db2.gz GDAJTFXYLLSNFB-UHFFFAOYSA-N 0 0 281.315 2.908 50 0 CFAARN O=C(c1ccccn1)N1CCC[C@@H]1Cc1ccccc1 ZINC000032901483 372473080 /nfs/dbraw/zinc/47/30/80/372473080.db2.gz SODPRBDALQDIDL-OAHLLOKOSA-N 0 0 266.344 2.929 50 0 CFAARN COc1ccc2cc(C(=O)NCC3CC3)c(C)nc2c1 ZINC000032906087 372473121 /nfs/dbraw/zinc/47/31/21/372473121.db2.gz CCBBUXOCHTYZFD-UHFFFAOYSA-N 0 0 270.332 2.692 50 0 CFAARN COC(=O)c1cccc(NC(=O)N2CCC[C@H](C)C2)c1 ZINC000032905334 372473228 /nfs/dbraw/zinc/47/32/28/372473228.db2.gz WLGIKVMVCRSTFX-NSHDSACASA-N 0 0 276.336 2.737 50 0 CFAARN NC(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1 ZINC000032901848 372473803 /nfs/dbraw/zinc/47/38/03/372473803.db2.gz LCAFANRTIXFCGI-UHFFFAOYSA-N 0 0 273.267 2.569 50 0 CFAARN COC(=O)c1ccccc1NC(=O)N1CCCC[C@@H]1C ZINC000032907259 372474632 /nfs/dbraw/zinc/47/46/32/372474632.db2.gz BUNMEXACDWTATN-NSHDSACASA-N 0 0 276.336 2.880 50 0 CFAARN COC(=O)c1ccc(C(F)(F)F)nc1Br ZINC000032911374 372474707 /nfs/dbraw/zinc/47/47/07/372474707.db2.gz PEEBGPINNABOSD-UHFFFAOYSA-N 0 0 284.031 2.650 50 0 CFAARN Cc1ccc(O[C@@H](C)C(=O)Nc2cccnc2N(C)C)cc1 ZINC000032912940 372474735 /nfs/dbraw/zinc/47/47/35/372474735.db2.gz QFYYXIWFXZESSY-ZDUSSCGKSA-N 0 0 299.374 2.862 50 0 CFAARN O=C(NCC1CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000032909446 372475146 /nfs/dbraw/zinc/47/51/46/372475146.db2.gz ZVZQFXIRGCRHTB-UHFFFAOYSA-N 0 0 293.798 2.582 50 0 CFAARN Cc1ccc(C(=O)NCCc2cccnc2)cc1C ZINC000032908784 372475356 /nfs/dbraw/zinc/47/53/56/372475356.db2.gz BSQDRFBSLPZOSN-UHFFFAOYSA-N 0 0 254.333 2.671 50 0 CFAARN C[C@H](NC(=O)[C@H](C)OCc1ccccc1)c1ccncc1 ZINC000032914012 372476412 /nfs/dbraw/zinc/47/64/12/372476412.db2.gz BFDJZWOSYCWCBE-KBPBESRZSA-N 0 0 284.359 2.864 50 0 CFAARN C[C@H](Cn1ccnc1)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000032923970 372477992 /nfs/dbraw/zinc/47/79/92/372477992.db2.gz SFVQYVKIOZHGGZ-RPTYSRGTSA-N 0 0 289.766 2.755 50 0 CFAARN C[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(OC(F)F)c1 ZINC000032931070 372478074 /nfs/dbraw/zinc/47/80/74/372478074.db2.gz AFPARIKFAASRHK-CABZTGNLSA-N 0 0 285.290 2.644 50 0 CFAARN O=C(COc1cccnc1)Nc1ccc(OC(F)F)cc1 ZINC000032932714 372478142 /nfs/dbraw/zinc/47/81/42/372478142.db2.gz AMSJVZGGTFPKNU-UHFFFAOYSA-N 0 0 294.257 2.701 50 0 CFAARN Cc1cccc(C)c1OCCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000032931343 372478186 /nfs/dbraw/zinc/47/81/86/372478186.db2.gz PFFMPMMZKDZORN-UHFFFAOYSA-N 0 0 299.374 2.713 50 0 CFAARN Cc1nc(-c2ccc(C(=O)NCc3ccccc3)cc2)no1 ZINC000032971423 372479867 /nfs/dbraw/zinc/47/98/67/372479867.db2.gz SANGYXLVXIYYPP-UHFFFAOYSA-N 0 0 293.326 2.975 50 0 CFAARN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1ccsc1 ZINC000031988486 372423780 /nfs/dbraw/zinc/42/37/80/372423780.db2.gz QYZKZZYFBLTWNB-UHFFFAOYSA-N 0 0 272.329 2.885 50 0 CFAARN COc1cccc2ccn(CC(=O)NC3CCCC3)c21 ZINC000032103623 372427824 /nfs/dbraw/zinc/42/78/24/372427824.db2.gz NPXDWVDDADSSMD-UHFFFAOYSA-N 0 0 272.348 2.709 50 0 CFAARN CC(C)CCNC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000032999418 372480833 /nfs/dbraw/zinc/48/08/33/372480833.db2.gz SITBXMQGVZKHOG-UHFFFAOYSA-N 0 0 292.404 2.897 50 0 CFAARN O=C([O-])C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000032149447 372432718 /nfs/dbraw/zinc/43/27/18/372432718.db2.gz YLKMRDRCEUFDMX-UHFFFAOYSA-N 0 0 291.347 2.635 50 0 CFAARN CCOc1ncccc1C(=O)N(C)Cc1cccs1 ZINC000033000370 372480938 /nfs/dbraw/zinc/48/09/38/372480938.db2.gz GRRDMEQBRITMDM-UHFFFAOYSA-N 0 0 276.361 2.814 50 0 CFAARN C[C@@H](CNC(=O)c1ccoc1)N1CCc2sccc2C1 ZINC000032429079 372439644 /nfs/dbraw/zinc/43/96/44/372439644.db2.gz XBOFHFHNINTMSZ-NSHDSACASA-N 0 0 290.388 2.518 50 0 CFAARN O=C([C@H]1CC=CCC1)N1CCN(c2ccccc2)CC1 ZINC000032975840 372481452 /nfs/dbraw/zinc/48/14/52/372481452.db2.gz VVTGGXIFXYCJDK-HNNXBMFYSA-N 0 0 270.376 2.692 50 0 CFAARN Cc1nnsc1C(=O)Nc1cccc2cccnc21 ZINC000032554085 372444613 /nfs/dbraw/zinc/44/46/13/372444613.db2.gz IKJKBYKBDSNRTO-UHFFFAOYSA-N 0 0 270.317 2.647 50 0 CFAARN CCn1nc(C)c([C@H](C)Nc2ccc(C)nn2)c1C ZINC000032541586 372444871 /nfs/dbraw/zinc/44/48/71/372444871.db2.gz RCECAKSHLOVFDT-JTQLQIEISA-N 0 0 259.357 2.791 50 0 CFAARN COc1ccc2c(c1)ncnc2NCc1ccncc1 ZINC000032544415 372445090 /nfs/dbraw/zinc/44/50/90/372445090.db2.gz MQBSWIXAGWZSQZ-UHFFFAOYSA-N 0 0 266.304 2.646 50 0 CFAARN C[C@@H](c1ccc(-c2ncccn2)cc1)N1CCOCC1 ZINC000032561852 372445781 /nfs/dbraw/zinc/44/57/81/372445781.db2.gz DUQSEPHPJDDUEY-ZDUSSCGKSA-N 0 0 269.348 2.537 50 0 CFAARN Cc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(F)c1 ZINC000032579455 372446254 /nfs/dbraw/zinc/44/62/54/372446254.db2.gz JOTMBEVJRLPGIZ-UHFFFAOYSA-N 0 0 282.315 2.597 50 0 CFAARN Cc1cc(NC(=S)N[C@@H](C)c2ccccc2)n[nH]1 ZINC000032561933 372446522 /nfs/dbraw/zinc/44/65/22/372446522.db2.gz MIMVDCYSLVWTDX-JTQLQIEISA-N 0 0 260.366 2.766 50 0 CFAARN CCC(CC)C(=O)NCCc1nc(-c2ccccc2)no1 ZINC000032593644 372447983 /nfs/dbraw/zinc/44/79/83/372447983.db2.gz QSNSXCKDWYFPPM-UHFFFAOYSA-N 0 0 287.363 2.832 50 0 CFAARN CNC(=O)c1ccc(COc2cc(C)ccc2C)o1 ZINC000032610985 372449050 /nfs/dbraw/zinc/44/90/50/372449050.db2.gz SEHWEZSMKVYBOY-UHFFFAOYSA-N 0 0 259.305 2.835 50 0 CFAARN Cc1cccc(-c2ccc(O[C@@H](C)C(N)=O)cc2)c1 ZINC000032603521 372449163 /nfs/dbraw/zinc/44/91/63/372449163.db2.gz OTZOFXAHGYKRSK-LBPRGKRZSA-N 0 0 255.317 2.915 50 0 CFAARN CCn1cc(CNC(=O)c2ccc(OC(C)C)cc2)cn1 ZINC000032610941 372449265 /nfs/dbraw/zinc/44/92/65/372449265.db2.gz VKTYQFAEKUNKLG-UHFFFAOYSA-N 0 0 287.363 2.620 50 0 CFAARN CC(=O)c1ccccc1-c1cc(-n2cc(C)cn2)ncn1 ZINC000032603585 372449406 /nfs/dbraw/zinc/44/94/06/372449406.db2.gz HAAQNAFOTCXDJH-UHFFFAOYSA-N 0 0 278.315 2.840 50 0 CFAARN CCCn1nccc1C(=O)N1c2ccccc2C[C@@H]1C ZINC000032611528 372450652 /nfs/dbraw/zinc/45/06/52/372450652.db2.gz VKRIKWYABGEDPY-LBPRGKRZSA-N 0 0 269.348 2.885 50 0 CFAARN CC[C@@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000032648054 372451672 /nfs/dbraw/zinc/45/16/72/372451672.db2.gz LTCFNVCUBFMJNW-SECBINFHSA-N 0 0 281.743 2.706 50 0 CFAARN CC(=O)Nc1ccc(NC(=O)OCC(F)(F)F)cc1 ZINC000032628858 372452191 /nfs/dbraw/zinc/45/21/91/372452191.db2.gz UMLPYVVDFWAAOR-UHFFFAOYSA-N 0 0 276.214 2.756 50 0 CFAARN CCCn1nccc1C(=O)N1CCCc2ccccc21 ZINC000032648329 372452285 /nfs/dbraw/zinc/45/22/85/372452285.db2.gz PKEZOWJNFNSYPM-UHFFFAOYSA-N 0 0 269.348 2.886 50 0 CFAARN CC(C)C(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000032668202 372453125 /nfs/dbraw/zinc/45/31/25/372453125.db2.gz LHGSTNZIGCEWMU-AWEZNQCLSA-N 0 0 260.381 2.548 50 0 CFAARN O=C(CNc1ccccc1)NC(=O)Nc1ccccc1F ZINC000032679577 372453476 /nfs/dbraw/zinc/45/34/76/372453476.db2.gz SBJGLQALZSLKCX-UHFFFAOYSA-N 0 0 287.294 2.586 50 0 CFAARN Cc1nn(C)c2c1nc(C(C)C)nc2N1CCCCC1 ZINC000032651242 372453929 /nfs/dbraw/zinc/45/39/29/372453929.db2.gz AZEDYUKFCWAOQA-UHFFFAOYSA-N 0 0 273.384 2.785 50 0 CFAARN Cc1cc(C)cc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(O)cc2)c1 ZINC000032721104 372455201 /nfs/dbraw/zinc/45/52/01/372455201.db2.gz WPPUHDXFPITRKA-SUMWQHHRSA-N 0 0 299.370 2.861 50 0 CFAARN CC[S@@](=O)c1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000032722009 372455615 /nfs/dbraw/zinc/45/56/15/372455615.db2.gz WUZXFOJVWYGAEC-RDXCRGQUSA-N 0 0 293.432 2.932 50 0 CFAARN CSc1ncc(C(=O)N2CCC2)n1-c1ccc(F)cc1 ZINC000032721256 372455830 /nfs/dbraw/zinc/45/58/30/372455830.db2.gz FDSNHLWNSWXUAK-UHFFFAOYSA-N 0 0 291.351 2.579 50 0 CFAARN COc1ccccc1CCNC(=O)C[C@@H]1C=CCC1 ZINC000032739335 372457564 /nfs/dbraw/zinc/45/75/64/372457564.db2.gz PQKCBPPUYPXEMU-CYBMUJFWSA-N 0 0 259.349 2.710 50 0 CFAARN CCCNC(=O)[C@@H](C)NC(=O)c1cc(CCC)c(C)s1 ZINC000032738234 372458109 /nfs/dbraw/zinc/45/81/09/372458109.db2.gz APCHVSMRSIXWTH-SNVBAGLBSA-N 0 0 296.436 2.654 50 0 CFAARN Cc1nnc(S[C@H](C)C(=O)N(C)C)n1C1CCCCC1 ZINC000032741669 372458798 /nfs/dbraw/zinc/45/87/98/372458798.db2.gz AISOJLWFSVTWHR-SNVBAGLBSA-N 0 0 296.440 2.661 50 0 CFAARN CC(C)C(=O)N1CCN([C@@H](C)c2ccc(F)cc2)CC1 ZINC000032759486 372458874 /nfs/dbraw/zinc/45/88/74/372458874.db2.gz NSHQKCIDJCJKHU-ZDUSSCGKSA-N 0 0 278.371 2.687 50 0 CFAARN O[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000032758319 372459109 /nfs/dbraw/zinc/45/91/09/372459109.db2.gz KIYCTFMCQPORQI-CQSZACIVSA-N 0 0 292.379 2.906 50 0 CFAARN CC(C)NC(=O)CN(C)[C@H](C)c1cc2ccccc2o1 ZINC000032754472 372459268 /nfs/dbraw/zinc/45/92/68/372459268.db2.gz AOVOPWNPNOZCCM-GFCCVEGCSA-N 0 0 274.364 2.950 50 0 CFAARN CN(Cc1ccccc1F)C(=O)c1cccc2cn[nH]c21 ZINC000032752981 372459730 /nfs/dbraw/zinc/45/97/30/372459730.db2.gz VACQCZUNCKKMAP-UHFFFAOYSA-N 0 0 283.306 2.974 50 0 CFAARN COCc1cccc(C(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000032747728 372460051 /nfs/dbraw/zinc/46/00/51/372460051.db2.gz XXGISDIPQNOHOB-BETUJISGSA-N 0 0 261.365 2.951 50 0 CFAARN CC[C@@H](C)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000032767993 372460466 /nfs/dbraw/zinc/46/04/66/372460466.db2.gz GVLRUQKHEIMOST-PRHODGIISA-N 0 0 253.729 2.558 50 0 CFAARN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCC1 ZINC000032768339 372460750 /nfs/dbraw/zinc/46/07/50/372460750.db2.gz APFNQPJDVQYINF-UHFFFAOYSA-N 0 0 272.348 2.661 50 0 CFAARN O=C(OCCOc1ccccc1)c1cc(Cl)c[nH]1 ZINC000032777129 372461108 /nfs/dbraw/zinc/46/11/08/372461108.db2.gz JFRDXMAFSFLYNQ-UHFFFAOYSA-N 0 0 265.696 2.904 50 0 CFAARN COC[C@H](C)NC(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000032765582 372461661 /nfs/dbraw/zinc/46/16/61/372461661.db2.gz KGMNNYWPSWEJLX-LBPRGKRZSA-N 0 0 299.374 2.514 50 0 CFAARN Cc1cccc2nc(CSc3nccn3C)cn21 ZINC000032778930 372462384 /nfs/dbraw/zinc/46/23/84/372462384.db2.gz KXQMZCXQMDIDRD-UHFFFAOYSA-N 0 0 258.350 2.669 50 0 CFAARN Cc1ccc(CSc2ncccc2C(N)=O)cc1 ZINC000032778660 372462576 /nfs/dbraw/zinc/46/25/76/372462576.db2.gz QFODZDOJICTESG-UHFFFAOYSA-N 0 0 258.346 2.781 50 0 CFAARN Cc1cccc(C(=O)NC[C@H](C)N2CCc3ccccc32)n1 ZINC000032817330 372464045 /nfs/dbraw/zinc/46/40/45/372464045.db2.gz QZSOTOWTBAWAHA-AWEZNQCLSA-N 0 0 295.386 2.571 50 0 CFAARN COCc1cccc(C(=O)Nc2ccc(C)cn2)c1 ZINC000032815046 372464376 /nfs/dbraw/zinc/46/43/76/372464376.db2.gz OXWVOHNOAMGFPS-UHFFFAOYSA-N 0 0 256.305 2.789 50 0 CFAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000032812593 372464417 /nfs/dbraw/zinc/46/44/17/372464417.db2.gz CWCBSDKXXPBVRC-CQSZACIVSA-N 0 0 288.347 2.528 50 0 CFAARN C[C@@H]1CN(Cc2ccc(F)c3cccnc23)CCO1 ZINC000032824032 372465634 /nfs/dbraw/zinc/46/56/34/372465634.db2.gz BIAATQNHOSXFQE-LLVKDONJSA-N 0 0 260.312 2.595 50 0 CFAARN O=S(=O)(NCCSC1CCCC1)c1cccs1 ZINC000032825863 372466265 /nfs/dbraw/zinc/46/62/65/372466265.db2.gz XNLSPSOYIRIGAY-UHFFFAOYSA-N 0 0 291.463 2.702 50 0 CFAARN CCOc1ccc([C@H]2CCCN2C(=O)c2cnn(C)c2)cc1 ZINC000032821006 372466345 /nfs/dbraw/zinc/46/63/45/372466345.db2.gz AMSKFQUMPDFZJG-MRXNPFEDSA-N 0 0 299.374 2.796 50 0 CFAARN Cc1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)s1 ZINC000032818454 372466740 /nfs/dbraw/zinc/46/67/40/372466740.db2.gz QZQPYHNQBZMEQF-UHFFFAOYSA-N 0 0 298.371 2.567 50 0 CFAARN Cc1cccc(Cn2cnc3ccsc3c2=O)c1 ZINC000032850504 372468123 /nfs/dbraw/zinc/46/81/23/372468123.db2.gz OQUFUSRBMQAJIU-UHFFFAOYSA-N 0 0 256.330 2.815 50 0 CFAARN C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc32)CCO1 ZINC000032865162 372469550 /nfs/dbraw/zinc/46/95/50/372469550.db2.gz SIZVNVDWCWBENT-LBPRGKRZSA-N 0 0 296.370 2.973 50 0 CFAARN CCCCN(C)C(=O)c1cnn(-c2ccccc2)c1 ZINC000032873826 372469946 /nfs/dbraw/zinc/46/99/46/372469946.db2.gz LXMJRLVRQHBQBB-UHFFFAOYSA-N 0 0 257.337 2.744 50 0 CFAARN Cc1noc2nc(C)cc(C(=O)N3CCC[C@@H](C)C3)c12 ZINC000032870390 372470098 /nfs/dbraw/zinc/47/00/98/372470098.db2.gz FXPSCXOIDOBFBR-SECBINFHSA-N 0 0 273.336 2.712 50 0 CFAARN COc1ccc(OC)c([C@@H](C)NC(=O)NCC(C)C)c1 ZINC000032862707 372470139 /nfs/dbraw/zinc/47/01/39/372470139.db2.gz ANIAPDVMXMAMOE-LLVKDONJSA-N 0 0 280.368 2.720 50 0 CFAARN CCOc1ncccc1C(=O)NCC1(c2ccccc2)CC1 ZINC000032872013 372470196 /nfs/dbraw/zinc/47/01/96/372470196.db2.gz OTZBCCVOWXBQRW-UHFFFAOYSA-N 0 0 296.370 2.942 50 0 CFAARN NC(=O)[C@H](Oc1ccccc1Cl)c1ccccc1 ZINC000032879166 372470369 /nfs/dbraw/zinc/47/03/69/372470369.db2.gz GYZMGKWYJKSDNG-CYBMUJFWSA-N 0 0 261.708 2.945 50 0 CFAARN O=C(CCC1CCCC1)N1CCN(c2nccs2)CC1 ZINC000032873838 372470394 /nfs/dbraw/zinc/47/03/94/372470394.db2.gz DBTUZMRBFLVQND-UHFFFAOYSA-N 0 0 293.436 2.762 50 0 CFAARN Cc1cc(CSc2nnc(C(C)(C)C)[nH]2)on1 ZINC000032883992 372471530 /nfs/dbraw/zinc/47/15/30/372471530.db2.gz WRLOJTDXJDIGGR-UHFFFAOYSA-N 0 0 252.343 2.691 50 0 CFAARN C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc2c(c1)OCO2 ZINC000032889251 372471900 /nfs/dbraw/zinc/47/19/00/372471900.db2.gz LCAZGVNKJGCPCF-MRVPVSSYSA-N 0 0 292.722 2.888 50 0 CFAARN COC(=O)c1ccc(CCNC(=O)CC2CCCC2)cc1 ZINC000032900528 372471997 /nfs/dbraw/zinc/47/19/97/372471997.db2.gz ULDOROKOIOZCIH-UHFFFAOYSA-N 0 0 289.375 2.712 50 0 CFAARN CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)C1CCCC1 ZINC000032899059 372472263 /nfs/dbraw/zinc/47/22/63/372472263.db2.gz SKJMQDWKFJJEDL-FUNVUKJBSA-N 0 0 263.381 2.783 50 0 CFAARN O=C(Cc1ccccc1Cl)NC[C@@H](O)c1ccccc1 ZINC000035109051 372540309 /nfs/dbraw/zinc/54/03/09/372540309.db2.gz FECCCKOKKVWMGG-OAHLLOKOSA-N 0 0 289.762 2.732 50 0 CFAARN CC(C)NC(=O)CSCCCc1ccccc1 ZINC000033047566 372483870 /nfs/dbraw/zinc/48/38/70/372483870.db2.gz SKHRSEILPRPANZ-UHFFFAOYSA-N 0 0 251.395 2.877 50 0 CFAARN COc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000033145327 372485389 /nfs/dbraw/zinc/48/53/89/372485389.db2.gz DDUUCULZTJKUTI-INIZCTEOSA-N 0 0 296.326 2.827 50 0 CFAARN O=C(Nc1cccc(-n2cnnc2)c1)c1cccs1 ZINC000033199892 372486285 /nfs/dbraw/zinc/48/62/85/372486285.db2.gz DEHAQOGPOXIACA-UHFFFAOYSA-N 0 0 270.317 2.581 50 0 CFAARN Cc1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)cc1 ZINC000033249891 372487694 /nfs/dbraw/zinc/48/76/94/372487694.db2.gz ACPVUDLPSBJXHA-UHFFFAOYSA-N 0 0 255.321 2.526 50 0 CFAARN CC(C)CNC(=O)[C@H](C)N1c2ccccc2CCCC1=O ZINC000033249777 372488110 /nfs/dbraw/zinc/48/81/10/372488110.db2.gz KKLPHOJRDKBCQM-ZDUSSCGKSA-N 0 0 288.391 2.517 50 0 CFAARN CCSc1nsc(NC(=O)c2ccccc2OC)n1 ZINC000033254481 372489197 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/nfs/dbraw/zinc/57/65/43/371576543.db2.gz BUDZZWMQBUYZRK-UHFFFAOYSA-N 0 0 279.340 2.863 50 0 CFAARN Cc1nccn1C[C@H](O)COc1cccc2ccccc21 ZINC000000282917 371577154 /nfs/dbraw/zinc/57/71/54/371577154.db2.gz MUOOISYQSYBRKC-HNNXBMFYSA-N 0 0 282.343 2.785 50 0 CFAARN CC(C)(Cl)CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000000284057 371578316 /nfs/dbraw/zinc/57/83/16/371578316.db2.gz MRENPZDDNQPADE-UHFFFAOYSA-N 0 0 282.192 2.636 50 0 CFAARN Cc1nnc(SCC(=O)Nc2ccccc2)s1 ZINC000000291964 371580071 /nfs/dbraw/zinc/58/00/71/371580071.db2.gz LQOOXSMGLURKKM-UHFFFAOYSA-N 0 0 265.363 2.577 50 0 CFAARN CO[C@H](C(=O)NCc1ccccc1C)c1ccccc1 ZINC000000452531 371618299 /nfs/dbraw/zinc/61/82/99/371618299.db2.gz MTWXMCGNPUOBTM-INIZCTEOSA-N 0 0 269.344 2.999 50 0 CFAARN O=C(NCc1cccnc1)c1ccccc1Br ZINC000000299335 371580950 /nfs/dbraw/zinc/58/09/50/371580950.db2.gz JNFXTLWRRQGODW-UHFFFAOYSA-N 0 0 291.148 2.774 50 0 CFAARN CC(C)(C)Cc1nnc(NC(=O)c2ccco2)s1 ZINC000000298945 371581157 /nfs/dbraw/zinc/58/11/57/371581157.db2.gz VSMWFOLUOJQVEX-UHFFFAOYSA-N 0 0 265.338 2.972 50 0 CFAARN O=C(c1ccc(OCc2ccccc2)cc1)N1CCOCC1 ZINC000000303110 371582446 /nfs/dbraw/zinc/58/24/46/371582446.db2.gz PQDQZDOJXAXTCU-UHFFFAOYSA-N 0 0 297.354 2.738 50 0 CFAARN Cc1ccccc1OCC(=O)N1CCc2ccccc2C1 ZINC000000308860 371584180 /nfs/dbraw/zinc/58/41/80/371584180.db2.gz NATIBIGDBDUWFJ-UHFFFAOYSA-N 0 0 281.355 2.959 50 0 CFAARN Cc1cccc(NC(=O)CNC(=O)C2CCCCC2)c1 ZINC000000306775 371584190 /nfs/dbraw/zinc/58/41/90/371584190.db2.gz YVIZOKHKAZUDGS-UHFFFAOYSA-N 0 0 274.364 2.630 50 0 CFAARN O=C(OCC(=O)c1ccc(F)cc1)c1cccs1 ZINC000000309246 371584653 /nfs/dbraw/zinc/58/46/53/371584653.db2.gz DXEPQMABQOEUTB-UHFFFAOYSA-N 0 0 264.277 2.927 50 0 CFAARN Cc1ccc(NC(=S)NC(=O)C2CCCCC2)nc1 ZINC000000315546 371586136 /nfs/dbraw/zinc/58/61/36/371586136.db2.gz SFZVJJPDJPHMLA-UHFFFAOYSA-N 0 0 277.393 2.783 50 0 CFAARN CN(C)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000000317796 371586284 /nfs/dbraw/zinc/58/62/84/371586284.db2.gz OAEFGSKNHWQHGF-UHFFFAOYSA-N 0 0 298.342 2.776 50 0 CFAARN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)OC ZINC000000325975 371587591 /nfs/dbraw/zinc/58/75/91/371587591.db2.gz BIWGAGJJARGXAZ-UHFFFAOYSA-N 0 0 280.255 2.662 50 0 CFAARN COc1cc(OC)cc(C(=O)Oc2cccc(C=O)c2)c1 ZINC000000336157 371589420 /nfs/dbraw/zinc/58/94/20/371589420.db2.gz UVHUMURGQNULMI-UHFFFAOYSA-N 0 0 286.283 2.736 50 0 CFAARN O=Cc1cccnc1SCC(=O)c1ccccc1 ZINC000000334895 371589428 /nfs/dbraw/zinc/58/94/28/371589428.db2.gz PWLPEHDEYWKNOL-UHFFFAOYSA-N 0 0 257.314 2.869 50 0 CFAARN CC1CCN(C(=O)Cn2cc(C=O)c3ccccc32)CC1 ZINC000000336393 371589630 /nfs/dbraw/zinc/58/96/30/371589630.db2.gz QEWGIAOPLZIQRC-UHFFFAOYSA-N 0 0 284.359 2.712 50 0 CFAARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000342905 371590820 /nfs/dbraw/zinc/59/08/20/371590820.db2.gz FUCMAJQSOTWQLL-GFCCVEGCSA-N 0 0 298.317 2.817 50 0 CFAARN Cc1cc([C@@H]([NH2+]C(C)(C)C)C(=O)[O-])cc(C)c1O ZINC000000346035 371591005 /nfs/dbraw/zinc/59/10/05/371591005.db2.gz OPOWBFBBYNYDDH-LLVKDONJSA-N 0 0 251.326 2.523 50 0 CFAARN CC(C)CC(=O)NC(=S)Nc1ccccc1F ZINC000000342051 371591036 /nfs/dbraw/zinc/59/10/36/371591036.db2.gz ZVOVGLCUMDQIHF-UHFFFAOYSA-N 0 0 254.330 2.685 50 0 CFAARN O=C(CCNc1ccccc1)n1c(=O)oc2ccccc21 ZINC000000360082 371594226 /nfs/dbraw/zinc/59/42/26/371594226.db2.gz VUVAOBGOZROTOK-UHFFFAOYSA-N 0 0 282.299 2.737 50 0 CFAARN O=C(C=Cc1ccccc1)NC(=S)N1CCCCC1 ZINC000000362928 371594792 /nfs/dbraw/zinc/59/47/92/371594792.db2.gz IZGUCTPMKZDUQF-MDZDMXLPSA-N 0 0 274.389 2.587 50 0 CFAARN COc1cc(C(=O)Oc2ccccc2)cc(OC)c1OC ZINC000000363131 371595390 /nfs/dbraw/zinc/59/53/90/371595390.db2.gz WJAOHEPEBANKEO-UHFFFAOYSA-N 0 0 288.299 2.932 50 0 biogenic,in-vitro CFAARN COc1cc(OC)cc(C(=O)Nc2ccc(C)c(O)c2)c1 ZINC000000364451 371595434 /nfs/dbraw/zinc/59/54/34/371595434.db2.gz HSTNINHPHICETF-UHFFFAOYSA-N 0 0 287.315 2.970 50 0 CFAARN COc1ccc(C(=O)Oc2cccc(O)c2)cc1OC ZINC000000365030 371595997 /nfs/dbraw/zinc/59/59/97/371595997.db2.gz QWJAAVYDMMNSHL-UHFFFAOYSA-N 0 0 274.272 2.629 50 0 CFAARN CCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000364417 371596064 /nfs/dbraw/zinc/59/60/64/371596064.db2.gz DXHUNNXHPABYPU-UHFFFAOYSA-N 0 0 289.356 2.679 50 0 CFAARN Cc1ccnc(NC(=O)c2ccc(Br)cc2)n1 ZINC000000363105 371596069 /nfs/dbraw/zinc/59/60/69/371596069.db2.gz IJMYHULESCDKQC-UHFFFAOYSA-N 0 0 292.136 2.800 50 0 CFAARN COc1ccc(CCNC(=O)NC2CCCCC2)cc1 ZINC000000369780 371596881 /nfs/dbraw/zinc/59/68/81/371596881.db2.gz RRBIHUBUQNRLST-UHFFFAOYSA-N 0 0 276.380 2.870 50 0 CFAARN CC[C@@H](C)Nc1nc(Cl)nc(N[C@H](C)CC)n1 ZINC000000369690 371596958 /nfs/dbraw/zinc/59/69/58/371596958.db2.gz NTYCDOAJCGVIMP-HTQZYQBOSA-N 0 0 257.769 2.946 50 0 CFAARN c1ccc2c(c1)nc(N1CCCC1)nc2N1CCCC1 ZINC000000368262 371597539 /nfs/dbraw/zinc/59/75/39/371597539.db2.gz VGDXTDLSFZUVNN-UHFFFAOYSA-N 0 0 268.364 2.830 50 0 CFAARN Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)o1 ZINC000000375917 371598761 /nfs/dbraw/zinc/59/87/61/371598761.db2.gz PJKUVVIWXONURK-UHFFFAOYSA-N 0 0 278.333 2.618 50 0 CFAARN COc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000000381805 371600201 /nfs/dbraw/zinc/60/02/01/371600201.db2.gz TZNJZGDNHCDDPK-UHFFFAOYSA-N 0 0 276.361 2.655 50 0 CFAARN COc1ccc(C)cc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000000397108 371605125 /nfs/dbraw/zinc/60/51/25/371605125.db2.gz DAZJRZBICONGQO-RYUDHWBXSA-N 0 0 278.352 2.645 50 0 CFAARN CCc1ccccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000000397009 371605325 /nfs/dbraw/zinc/60/53/25/371605325.db2.gz VWZNIBRGCZUCMO-RYUDHWBXSA-N 0 0 262.353 2.890 50 0 CFAARN CC[C@H](C)NC(=O)c1ccc(Br)cc1 ZINC000000405222 371606738 /nfs/dbraw/zinc/60/67/38/371606738.db2.gz AZBNUODSMLNLJG-QMMMGPOBSA-N 0 0 256.143 2.977 50 0 CFAARN CC[C@H](CO)NC(=O)Nc1cccc2ccccc21 ZINC000000405887 371607100 /nfs/dbraw/zinc/60/71/00/371607100.db2.gz DVNVWLNMDUURTB-GFCCVEGCSA-N 0 0 258.321 2.732 50 0 CFAARN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1 ZINC000000413870 371607753 /nfs/dbraw/zinc/60/77/53/371607753.db2.gz OVDFVDLGCJKWCF-UHFFFAOYSA-N 0 0 288.278 2.876 50 0 CFAARN CCOc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1 ZINC000000413829 371608483 /nfs/dbraw/zinc/60/84/83/371608483.db2.gz QHQHUTYRDJLKHB-UHFFFAOYSA-N 0 0 299.326 2.915 50 0 CFAARN CC[C@@H](C)NC(=O)c1cc(-c2ccccc2OC)on1 ZINC000000423719 371611463 /nfs/dbraw/zinc/61/14/63/371611463.db2.gz MLSLNORGULLGED-SNVBAGLBSA-N 0 0 274.320 2.879 50 0 CFAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cl ZINC000000431723 371613490 /nfs/dbraw/zinc/61/34/90/371613490.db2.gz FXKHQYHQXKJNJC-UHFFFAOYSA-N 0 0 287.706 2.762 50 0 CFAARN O=C(Nc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000000435493 371613630 /nfs/dbraw/zinc/61/36/30/371613630.db2.gz CMTQNBFLWOSGAE-UHFFFAOYSA-N 0 0 255.273 2.710 50 0 CFAARN C[C@H]1CCC[C@]2(C1)NC(=S)N(c1ccccc1)N2 ZINC000001261662 371664697 /nfs/dbraw/zinc/66/46/97/371664697.db2.gz WEXJHDPBRVCLJX-FZMZJTMJSA-N 0 0 261.394 2.792 50 0 CFAARN COc1cc2ncnc(NCc3ccco3)c2cc1OC ZINC000001386821 371668213 /nfs/dbraw/zinc/66/82/13/371668213.db2.gz DQNZBLMXWSVIKP-UHFFFAOYSA-N 0 0 285.303 2.852 50 0 CFAARN Cc1nn(C)c(Cl)c1NC(=O)OCc1cccnc1 ZINC000001384357 371669417 /nfs/dbraw/zinc/66/94/17/371669417.db2.gz YHAKNBYCUAYSKP-UHFFFAOYSA-N 0 0 280.715 2.526 50 0 CFAARN Clc1ncc(Cn2nnc3ccccc32)s1 ZINC000001395976 371670055 /nfs/dbraw/zinc/67/00/55/371670055.db2.gz QOVUOHPVXBMKMV-UHFFFAOYSA-N 0 0 250.714 2.590 50 0 CFAARN Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2=O)cc1 ZINC000001404149 371672302 /nfs/dbraw/zinc/67/23/02/371672302.db2.gz YLOOPFVXPVWCAC-MRXNPFEDSA-N 0 0 279.339 2.923 50 0 CFAARN CC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000001399371 371672428 /nfs/dbraw/zinc/67/24/28/371672428.db2.gz KRWUJYKNZKVPSX-UHFFFAOYSA-N 0 0 265.268 2.690 50 0 CFAARN CCCN1C(=O)O[C@](C)(CCc2ccccc2)[C@@]1(C)O ZINC000001427186 371673236 /nfs/dbraw/zinc/67/32/36/371673236.db2.gz VGHVPUDBKWFNLS-HZPDHXFCSA-N 0 0 277.364 2.949 50 0 CFAARN O=c1nc(Nc2ccccc2F)sc2ncccc12 ZINC000001425901 371673868 /nfs/dbraw/zinc/67/38/68/371673868.db2.gz SKAJCEYCYMFWCK-UHFFFAOYSA-N 0 0 273.292 2.934 50 0 CFAARN CC(=O)c1sc(Nc2ccccc2F)nc1N ZINC000001423200 371673945 /nfs/dbraw/zinc/67/39/45/371673945.db2.gz GTXVMBJPEOMMHR-UHFFFAOYSA-N 0 0 251.286 2.811 50 0 CFAARN O=S(=O)(NCCC1=CCCCC1)c1ccc(F)cc1 ZINC000001471470 371676620 /nfs/dbraw/zinc/67/66/20/371676620.db2.gz RUQHXGDKQIRRJA-UHFFFAOYSA-N 0 0 283.368 2.995 50 0 CFAARN Nc1cccc(Oc2ncc(Br)cn2)c1 ZINC000001497350 371676725 /nfs/dbraw/zinc/67/67/25/371676725.db2.gz FPUBXWSYDNKOQY-UHFFFAOYSA-N 0 0 266.098 2.614 50 0 CFAARN O=C(CNC(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000001467531 371677240 /nfs/dbraw/zinc/67/72/40/371677240.db2.gz IADBGGYXHBAYEF-UHFFFAOYSA-N 0 0 288.734 2.709 50 0 CFAARN O=C(NC[C@@H]1CCCO1)c1cc(F)c(F)cc1Cl ZINC000000464409 371621219 /nfs/dbraw/zinc/62/12/19/371621219.db2.gz QSXNOICAFXCTRQ-ZETCQYMHSA-N 0 0 275.682 2.527 50 0 CFAARN C[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 ZINC000000459969 371621507 /nfs/dbraw/zinc/62/15/07/371621507.db2.gz PHXILDKFLAXNJL-NSHDSACASA-N 0 0 251.301 2.606 50 0 CFAARN O=C(COC(=O)c1cnccn1)c1ccc2ccccc2c1 ZINC000000461110 371621613 /nfs/dbraw/zinc/62/16/13/371621613.db2.gz TWFIXVKOSHDGPY-UHFFFAOYSA-N 0 0 292.294 2.670 50 0 CFAARN COc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000000466398 371623058 /nfs/dbraw/zinc/62/30/58/371623058.db2.gz JTBBEYDTKROGGT-UHFFFAOYSA-N 0 0 281.308 2.635 50 0 CFAARN COc1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000000465327 371623129 /nfs/dbraw/zinc/62/31/29/371623129.db2.gz PNSRETVYLFSHKJ-UHFFFAOYSA-N 0 0 277.345 2.804 50 0 CFAARN COc1ccc([C@H](O)Cc2cnc3ccccc3n2)cc1 ZINC000001494985 371677760 /nfs/dbraw/zinc/67/77/60/371677760.db2.gz XFSFQVYLHSALNX-QGZVFWFLSA-N 0 0 280.327 2.915 50 0 CFAARN CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000000466347 371623308 /nfs/dbraw/zinc/62/33/08/371623308.db2.gz CGLIBIKJVWCTLO-UHFFFAOYSA-N 0 0 269.304 2.682 50 0 CFAARN O=S(=O)(Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000000466036 371623340 /nfs/dbraw/zinc/62/33/40/371623340.db2.gz KSUCBRVNICPRTD-UHFFFAOYSA-N 0 0 269.272 2.766 50 0 CFAARN Cc1cc(NC(=O)CSCc2ccccc2)no1 ZINC000000466093 371623372 /nfs/dbraw/zinc/62/33/72/371623372.db2.gz VUZNKRFSMDYGKA-UHFFFAOYSA-N 0 0 262.334 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O=C(NCCCOCC(F)(F)F)Nc1ccccc1F ZINC000032809045 372464552 /nfs/dbraw/zinc/46/45/52/372464552.db2.gz XGKNZOGSNZBBEQ-UHFFFAOYSA-N 0 0 294.248 2.916 50 0 CFAARN Cc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)n1 ZINC000032817332 372464633 /nfs/dbraw/zinc/46/46/33/372464633.db2.gz QZSOTOWTBAWAHA-CQSZACIVSA-N 0 0 295.386 2.571 50 0 CFAARN Cc1cc(CN(C)C(=O)Nc2cccc(C)c2)no1 ZINC000032826246 372466019 /nfs/dbraw/zinc/46/60/19/372466019.db2.gz UZSZQVRGQMANDR-UHFFFAOYSA-N 0 0 259.309 2.955 50 0 CFAARN C[C@H](NC(=O)c1cccs1)C(=O)Nc1ccccc1 ZINC000032869615 372470592 /nfs/dbraw/zinc/47/05/92/372470592.db2.gz BUPJWDJDYZVVPJ-JTQLQIEISA-N 0 0 274.345 2.505 50 0 CFAARN CC[C@@H](C)C(=O)Nc1ccccc1N1CCOCC1 ZINC000032895483 372472223 /nfs/dbraw/zinc/47/22/23/372472223.db2.gz CEFNKLFECBYTOY-GFCCVEGCSA-N 0 0 262.353 2.508 50 0 CFAARN Cc1ccc(C(=O)NC[C@H](O)c2ccccc2)s1 ZINC000035108566 372540259 /nfs/dbraw/zinc/54/02/59/372540259.db2.gz LXPYRDREGXWMKA-LBPRGKRZSA-N 0 0 261.346 2.520 50 0 CFAARN 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/nfs/dbraw/zinc/65/34/58/372653458.db2.gz MTWGAYRZZGTTKA-SNVBAGLBSA-N 0 0 293.367 2.914 50 0 CFAARN CC(C)c1noc(COC(=O)c2cccc(Cl)c2N)n1 ZINC000037143549 372654928 /nfs/dbraw/zinc/65/49/28/372654928.db2.gz WCCFXHHWSKKIEM-UHFFFAOYSA-N 0 0 295.726 2.786 50 0 CFAARN CC(C)[C@H](C)NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000037151212 372655813 /nfs/dbraw/zinc/65/58/13/372655813.db2.gz LPIOETGWIJUGLK-JTQLQIEISA-N 0 0 293.392 2.891 50 0 CFAARN O=C(COc1ccccc1)Nc1ccccc1-n1ccnc1 ZINC000039338912 372777322 /nfs/dbraw/zinc/77/73/22/372777322.db2.gz ALKSXMATMRKEJU-UHFFFAOYSA-N 0 0 293.326 2.890 50 0 CFAARN Cc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccccc2)cc1 ZINC000039434782 372777684 /nfs/dbraw/zinc/77/76/84/372777684.db2.gz FQCCMNNCPYSHFV-AWEZNQCLSA-N 0 0 289.400 2.905 50 0 in-vitro CFAARN O=C1N2CCN=C2c2ccccc2N1Cc1ccccc1 ZINC000039375962 372778061 /nfs/dbraw/zinc/77/80/61/372778061.db2.gz WFEXVPJJYLCVOJ-UHFFFAOYSA-N 0 0 277.327 2.889 50 0 CFAARN Cc1noc2nc(-c3ccccc3Cl)oc(=O)c12 ZINC000040464780 372781339 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/nfs/dbraw/zinc/44/32/82/375443282.db2.gz UAXBXAOIYZVVEJ-UHFFFAOYSA-N 0 0 281.109 2.998 50 0 CFAARN O=C(Nc1ccc(NCc2ccco2)cn1)C1CC1 ZINC000095430894 375445022 /nfs/dbraw/zinc/44/50/22/375445022.db2.gz VINSDJATYYUPMW-UHFFFAOYSA-N 0 0 257.293 2.635 50 0 CFAARN CCOc1cccnc1Nc1nc2c(s1)c(C)nn2C ZINC000096163045 375471869 /nfs/dbraw/zinc/47/18/69/375471869.db2.gz WBVKLWHKILLCJV-UHFFFAOYSA-N 0 0 289.364 2.876 50 0 CFAARN CS[C@@H](C)CNC(=O)Nc1ccc(N(C)C)cc1C ZINC000095434377 375448366 /nfs/dbraw/zinc/44/83/66/375448366.db2.gz JFWWTFPADWPUAI-NSHDSACASA-N 0 0 281.425 2.934 50 0 CFAARN Cc1ccc([C@H](C)NC(=O)N(C)C[C@H]2CCC[C@@H]2O)s1 ZINC000095438054 375449278 /nfs/dbraw/zinc/44/92/78/375449278.db2.gz HOQRAIKLZDQSPE-XQQFMLRXSA-N 0 0 296.436 2.920 50 0 CFAARN O=C(NOc1ccccc1C(F)(F)F)C1CCOCC1 ZINC000095437874 375449289 /nfs/dbraw/zinc/44/92/89/375449289.db2.gz KQSLSTKUDGSUFL-UHFFFAOYSA-N 0 0 289.253 2.542 50 0 CFAARN COC(=O)c1ncccc1OCc1cccc(N(C)C)c1 ZINC000095439395 375449548 /nfs/dbraw/zinc/44/95/48/375449548.db2.gz DAEZATLGFWAMOF-UHFFFAOYSA-N 0 0 286.331 2.513 50 0 CFAARN CC(C)N(CCc1nccs1)C(=O)c1ccncc1F ZINC000095436450 375449618 /nfs/dbraw/zinc/44/96/18/375449618.db2.gz IENBYBJCHBCXJZ-UHFFFAOYSA-N 0 0 293.367 2.771 50 0 CFAARN CC(C)Cc1noc(COc2ccccc2-c2nc[nH]n2)n1 ZINC000095437208 375449899 /nfs/dbraw/zinc/44/98/99/375449899.db2.gz HQNAKBLZLRVFHU-UHFFFAOYSA-N 0 0 299.334 2.632 50 0 CFAARN COc1cccc(CNC(=O)c2nc(Cl)ccc2F)c1 ZINC000095442138 375450808 /nfs/dbraw/zinc/45/08/08/375450808.db2.gz TXAOHCZHHQUPIW-UHFFFAOYSA-N 0 0 294.713 2.813 50 0 CFAARN Cc1cccc2nc(C[S@](=O)CCC(C)C)cn21 ZINC000095440985 375450879 /nfs/dbraw/zinc/45/08/79/375450879.db2.gz FRZMWTOJFUQSDM-SFHVURJKSA-N 0 0 264.394 2.938 50 0 CFAARN Cc1ccc(NC(=O)N(C)[C@@H](C)c2ccncn2)c(C)n1 ZINC000096161878 375472231 /nfs/dbraw/zinc/47/22/31/375472231.db2.gz NPONGYSEZWRGGZ-LBPRGKRZSA-N 0 0 285.351 2.713 50 0 CFAARN O=C(N[C@@H](CCCO)c1ccccc1)C1=CCCC1 ZINC000095445709 375452199 /nfs/dbraw/zinc/45/21/99/375452199.db2.gz DVYNETVJJNBVDZ-HNNXBMFYSA-N 0 0 259.349 2.727 50 0 CFAARN Cc1nnnn1-c1cccc(NCCc2ccc(C)cc2)c1 ZINC000095454340 375454795 /nfs/dbraw/zinc/45/47/95/375454795.db2.gz NOWJOUUZMJRTBU-UHFFFAOYSA-N 0 0 293.374 2.934 50 0 CFAARN CCN1C[C@@H](C)N(C(=O)c2sccc2C)C[C@@H]1C ZINC000095451848 375455034 /nfs/dbraw/zinc/45/50/34/375455034.db2.gz DRCNVAHSWYGGNJ-NWDGAFQWSA-N 0 0 266.410 2.611 50 0 CFAARN CCN1C[C@H](C)N(C(=O)c2sccc2C)C[C@@H]1C ZINC000095451847 375455188 /nfs/dbraw/zinc/45/51/88/375455188.db2.gz DRCNVAHSWYGGNJ-RYUDHWBXSA-N 0 0 266.410 2.611 50 0 CFAARN CC[C@H](C)c1cc(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)on1 ZINC000095451841 375455401 /nfs/dbraw/zinc/45/54/01/375455401.db2.gz XIXCPLCKXQOZPZ-XQQFMLRXSA-N 0 0 293.411 2.743 50 0 CFAARN C[C@H](Oc1cccnc1)C(=O)Nc1ccc2c(c1)COC2 ZINC000095454107 375455605 /nfs/dbraw/zinc/45/56/05/375455605.db2.gz QRACOZVZUTWNOK-NSHDSACASA-N 0 0 284.315 2.518 50 0 CFAARN CCc1nnc(CNc2cc(Cl)cc3c2OCC3)o1 ZINC000097144807 375529954 /nfs/dbraw/zinc/52/99/54/375529954.db2.gz ZCHJIJDDAJDDQF-UHFFFAOYSA-N 0 0 279.727 2.832 50 0 CFAARN CCc1cnccc1C(=O)Nc1cccc(NC(=O)NC)c1 ZINC000097143492 375530109 /nfs/dbraw/zinc/53/01/09/375530109.db2.gz UEEOEJDUYZZVEB-UHFFFAOYSA-N 0 0 298.346 2.648 50 0 CFAARN Cc1ncccc1CN1CCN([C@H](C)c2ccccn2)CC1 ZINC000097143341 375530435 /nfs/dbraw/zinc/53/04/35/375530435.db2.gz IPQICQRSWFUGBK-MRXNPFEDSA-N 0 0 296.418 2.664 50 0 CFAARN c1n[nH]nc1SCc1nnc(-c2ccccc2)s1 ZINC000097146035 375531560 /nfs/dbraw/zinc/53/15/60/375531560.db2.gz ZDVUHSXLFCWKRY-UHFFFAOYSA-N 0 0 275.362 2.616 50 0 CFAARN O=C(O[C@@H]1CCOC1)c1c[nH]nc1-c1ccccc1Cl ZINC000097147454 375531634 /nfs/dbraw/zinc/53/16/34/375531634.db2.gz CJEHYCQFEXTDPW-SECBINFHSA-N 0 0 292.722 2.676 50 0 CFAARN O=C(Nc1cnccn1)c1ccccc1OCC1CC1 ZINC000097145959 375531641 /nfs/dbraw/zinc/53/16/41/375531641.db2.gz WTILAWBMBXTWFZ-UHFFFAOYSA-N 0 0 269.304 2.518 50 0 CFAARN C[C@H]1Cc2ccccc2[C@H]1NC(=O)CCCCc1c[nH]nn1 ZINC000097162497 375533458 /nfs/dbraw/zinc/53/34/58/375533458.db2.gz ISAVEZKLBYOMPZ-SJCJKPOMSA-N 0 0 298.390 2.567 50 0 CFAARN CC(C)c1nn(C)cc1CNCc1cn2ccsc2n1 ZINC000097160101 375533564 /nfs/dbraw/zinc/53/35/64/375533564.db2.gz FHSIWIFBXKSVOT-UHFFFAOYSA-N 0 0 289.408 2.543 50 0 CFAARN O=C(CCCn1cccc1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000097161923 375533888 /nfs/dbraw/zinc/53/38/88/375533888.db2.gz ONKIXIZHPMCTHZ-HZPDHXFCSA-N 0 0 268.360 2.941 50 0 CFAARN CCCCc1nc(CN2CCn3ccnc3C2)cs1 ZINC000097201312 375538953 /nfs/dbraw/zinc/53/89/53/375538953.db2.gz ZLLJIHUMBNAGCZ-UHFFFAOYSA-N 0 0 276.409 2.698 50 0 CFAARN O=C(c1ccnc(C2=CCCCC2)c1)N1CCOCC1 ZINC000097217412 375541131 /nfs/dbraw/zinc/54/11/31/375541131.db2.gz KHIJGGDCTRLHPO-UHFFFAOYSA-N 0 0 272.348 2.511 50 0 CFAARN O=C(NC1CC1)c1cccc2c1-c1ccccc1C2=O ZINC000096191926 375475647 /nfs/dbraw/zinc/47/56/47/375475647.db2.gz VOYPSJXXZLCJMJ-UHFFFAOYSA-N 0 0 263.296 2.790 50 0 CFAARN O=C1C[C@@H](c2cccnc2)c2c3nsnc3ccc2O1 ZINC000096232185 375481945 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/nfs/dbraw/zinc/50/41/64/375504164.db2.gz IMBQVRQXJCKQDR-INIZCTEOSA-N 0 0 272.348 2.798 50 0 CFAARN Cc1cccc2c(NCc3nnc(C(C)C)n3C)ncnc12 ZINC000097049878 375504623 /nfs/dbraw/zinc/50/46/23/375504623.db2.gz DFXKPQMBSWNHBB-UHFFFAOYSA-N 0 0 296.378 2.802 50 0 CFAARN O=CN1CCC(OC(=O)c2occc2-c2ccccc2)CC1 ZINC000097049116 375504659 /nfs/dbraw/zinc/50/46/59/375504659.db2.gz XTOFZSJUWNFYQA-UHFFFAOYSA-N 0 0 299.326 2.724 50 0 CFAARN CCOc1ccc(/C=C\C(=O)Nc2cnn(CC)c2)cc1 ZINC000097054284 375506229 /nfs/dbraw/zinc/50/62/29/375506229.db2.gz NGVDFWZOTSIQNT-YFHOEESVSA-N 0 0 285.347 2.954 50 0 CFAARN Cc1nscc1C(=O)OCc1ccc2c(c1)COC2 ZINC000097080358 375508525 /nfs/dbraw/zinc/50/85/25/375508525.db2.gz MVZQIXLJWADEDU-UHFFFAOYSA-N 0 0 275.329 2.839 50 0 CFAARN CC(C)(CO)NC(=O)CCC(C)(C)c1ccccc1 ZINC000097232873 375544057 /nfs/dbraw/zinc/54/40/57/375544057.db2.gz QEFJNDAMDZWEFM-UHFFFAOYSA-N 0 0 263.381 2.632 50 0 CFAARN Cc1ncccc1OCc1nc(-c2ccoc2)no1 ZINC000097082580 375510380 /nfs/dbraw/zinc/51/03/80/375510380.db2.gz IZCPVFBZTUHQJG-UHFFFAOYSA-N 0 0 257.249 2.612 50 0 CFAARN Cc1ccccc1CNc1ccccc1NC(=O)[C@H](C)O ZINC000097083331 375510713 /nfs/dbraw/zinc/51/07/13/375510713.db2.gz GEZVIFNNKBSXQZ-ZDUSSCGKSA-N 0 0 284.359 2.926 50 0 CFAARN O=C(CC1CCC(C(F)(F)F)CC1)NC[C@H](O)C1CC1 ZINC000097084881 375511847 /nfs/dbraw/zinc/51/18/47/375511847.db2.gz XDMQBHXJMCLTNR-NHNAUAITSA-N 0 0 293.329 2.632 50 0 CFAARN CC1([C@H]2CCCN(C(=O)NC3CCCCC3)C2)OCCO1 ZINC000097085356 375512084 /nfs/dbraw/zinc/51/20/84/375512084.db2.gz ZMEJYZWPMZYROZ-ZDUSSCGKSA-N 0 0 296.411 2.504 50 0 CFAARN COCc1noc([C@H](C)Sc2ncc3ccccn32)n1 ZINC000097085311 375512225 /nfs/dbraw/zinc/51/22/25/375512225.db2.gz FXYGKPBNFFKEAX-VIFPVBQESA-N 0 0 290.348 2.717 50 0 CFAARN CSc1ccc(NC(=O)c2cccc(O)c2)cn1 ZINC000097236526 375544274 /nfs/dbraw/zinc/54/42/74/375544274.db2.gz RKPQKWRUXIULSL-UHFFFAOYSA-N 0 0 260.318 2.761 50 0 CFAARN CCc1nnc([C@H](C)Nc2ccn(CC(F)(F)F)n2)o1 ZINC000097095012 375514789 /nfs/dbraw/zinc/51/47/89/375514789.db2.gz ZCCYYQUAGYSGPV-ZETCQYMHSA-N 0 0 289.261 2.564 50 0 CFAARN CCc1noc([C@H](C)N[C@H]2CC(C)(C)OC2(C)C)n1 ZINC000097100401 375517042 /nfs/dbraw/zinc/51/70/42/375517042.db2.gz VZCRGDLYQLSMKE-UWVGGRQHSA-N 0 0 267.373 2.629 50 0 CFAARN FC(F)(F)[C@H]1CCCC[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000097101729 375517894 /nfs/dbraw/zinc/51/78/94/375517894.db2.gz VPYATQONFUMORV-UWVGGRQHSA-N 0 0 288.317 2.893 50 0 CFAARN CC[C@H]1CN(Cc2cncnc2)c2ccccc2O1 ZINC000097101653 375518286 /nfs/dbraw/zinc/51/82/86/375518286.db2.gz ZVLZUBWSUPYIAI-ZDUSSCGKSA-N 0 0 255.321 2.654 50 0 CFAARN COc1ccc2c(c1)N(Cc1ccc(CO)o1)C[C@@H](C)O2 ZINC000097101641 375518416 /nfs/dbraw/zinc/51/84/16/375518416.db2.gz IQSZFVHBJJSOIS-LLVKDONJSA-N 0 0 289.331 2.568 50 0 CFAARN CC(=O)N1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000097103889 375518637 /nfs/dbraw/zinc/51/86/37/375518637.db2.gz QDFITXPNFXMXLU-GFCCVEGCSA-N 0 0 280.799 2.608 50 0 CFAARN CCc1ccc(CN[C@@H]2CCCN(c3cccnc3)C2=O)o1 ZINC000097106934 375519755 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Cc1cccc(C(=O)NCC(=O)c2ccco2)c1Cl ZINC000097107442 375520486 /nfs/dbraw/zinc/52/04/86/375520486.db2.gz PMQLBRNMYXOTFL-UHFFFAOYSA-N 0 0 277.707 2.854 50 0 CFAARN CCc1cnccc1C(=O)O[C@H](C)c1ccccn1 ZINC000097113023 375522610 /nfs/dbraw/zinc/52/26/10/375522610.db2.gz BHUKFHICFHGRFL-LLVKDONJSA-N 0 0 256.305 2.957 50 0 CFAARN Cc1nscc1C(=O)OCC[C@H]1CCCCO1 ZINC000097112358 375522821 /nfs/dbraw/zinc/52/28/21/375522821.db2.gz FZAQTPRJNZROJP-SNVBAGLBSA-N 0 0 255.339 2.568 50 0 CFAARN CCc1nc([C@@H](C)NCC(=O)N2CCCCCC2)cs1 ZINC000097112213 375523047 /nfs/dbraw/zinc/52/30/47/375523047.db2.gz BHBXXLCCCKOONZ-GFCCVEGCSA-N 0 0 295.452 2.759 50 0 CFAARN CCn1c(C)nnc1CN[C@H](C)c1cc(C)oc1C ZINC000097112008 375523112 /nfs/dbraw/zinc/52/31/12/375523112.db2.gz KVYWRFNPEAELSX-SNVBAGLBSA-N 0 0 262.357 2.667 50 0 CFAARN CCc1nc([C@@H](C)NCc2nc(C3CC3)no2)cs1 ZINC000097112220 375523274 /nfs/dbraw/zinc/52/32/74/375523274.db2.gz BPCUMWJFAYFREB-MRVPVSSYSA-N 0 0 278.381 2.817 50 0 CFAARN CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1 ZINC000072239373 284521420 /nfs/dbraw/zinc/52/14/20/284521420.db2.gz GMMAGYQPSLLZLJ-RISCZKNCSA-N 0 0 294.420 2.526 50 0 CFAARN Cc1noc(-c2ccccc2)c1NC(=O)c1cnccn1 ZINC000097115133 375525104 /nfs/dbraw/zinc/52/51/04/375525104.db2.gz RRIDVKYCPCWGSR-UHFFFAOYSA-N 0 0 280.287 2.692 50 0 CFAARN COc1cccc(CCNC(=O)Nc2ccncc2F)c1 ZINC000097135904 375525675 /nfs/dbraw/zinc/52/56/75/375525675.db2.gz HOCYREGGUGXWHZ-UHFFFAOYSA-N 0 0 289.310 2.594 50 0 CFAARN O=C(NCCCc1ccccc1)Nc1ccncc1F ZINC000097135712 375525927 /nfs/dbraw/zinc/52/59/27/375525927.db2.gz OVOLHPOBHROSGX-UHFFFAOYSA-N 0 0 273.311 2.975 50 0 CFAARN O=C(Nc1ccccc1)[C@H]1CCN1C(=O)c1ccccc1 ZINC000097134416 375526191 /nfs/dbraw/zinc/52/61/91/375526191.db2.gz HRYDRZGCIJKVOG-OAHLLOKOSA-N 0 0 280.327 2.540 50 0 CFAARN CCCn1cc(N[C@@H](C)c2nc(C3CC3)no2)cn1 ZINC000097140090 375528703 /nfs/dbraw/zinc/52/87/03/375528703.db2.gz JLAAKQFAJHLMIA-VIFPVBQESA-N 0 0 261.329 2.727 50 0 CFAARN CC(C)N1CC[C@@H](Sc2nncc3ccccc32)C1=O ZINC000097141652 375528928 /nfs/dbraw/zinc/52/89/28/375528928.db2.gz HVECUFYQAFERFQ-CYBMUJFWSA-N 0 0 287.388 2.731 50 0 CFAARN O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000098020333 375591607 /nfs/dbraw/zinc/59/16/07/375591607.db2.gz PUBJZQRIDJEAPD-MRVPVSSYSA-N 0 0 289.253 2.776 50 0 CFAARN O=C(Nc1cccc(F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000098020445 375592068 /nfs/dbraw/zinc/59/20/68/375592068.db2.gz NPVJFMZYVPEZHB-MLGOLLRUSA-N 0 0 292.354 2.985 50 0 CFAARN CC(C)Oc1ccc(-c2ccc(C(N)=O)c(Cl)c2)nn1 ZINC000097288714 375547987 /nfs/dbraw/zinc/54/79/87/375547987.db2.gz JEYQOEZVNJFVEO-UHFFFAOYSA-N 0 0 291.738 2.683 50 0 CFAARN Cc1cccc(CC2(NC(=O)[C@H]3CC34CC4)CC2)c1 ZINC000097334285 375550073 /nfs/dbraw/zinc/55/00/73/375550073.db2.gz UNCDDZKZOFSOLD-CQSZACIVSA-N 0 0 255.361 2.986 50 0 CFAARN CCOCC(=O)N1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000097372174 375551471 /nfs/dbraw/zinc/55/14/71/375551471.db2.gz KMMKQTZKRKUQLT-AWEZNQCLSA-N 0 0 261.365 2.656 50 0 CFAARN CC(C)N(C[C@H](C)O)C(=O)c1ccc(F)c(Cl)c1F ZINC000097377076 375554510 /nfs/dbraw/zinc/55/45/10/375554510.db2.gz VXADYCFEYYVUBB-QMMMGPOBSA-N 0 0 291.725 2.850 50 0 CFAARN CCn1cc(N[C@@H](C)C(=O)Nc2c(C)cccc2C)cn1 ZINC000097377387 375554564 /nfs/dbraw/zinc/55/45/64/375554564.db2.gz VLKKYHXRWCBCAM-ZDUSSCGKSA-N 0 0 286.379 2.959 50 0 CFAARN COc1ccc2c(c1)CCN(Cc1[nH]nc(C)c1Cl)C2 ZINC000097394080 375558744 /nfs/dbraw/zinc/55/87/44/375558744.db2.gz CICALDILFLTKTR-UHFFFAOYSA-N 0 0 291.782 2.938 50 0 CFAARN Cc1cccc(-c2cncc(C(=O)N3CCCC3)n2)c1 ZINC000097436887 375560368 /nfs/dbraw/zinc/56/03/68/375560368.db2.gz GQJOCQLYBPVQHD-UHFFFAOYSA-N 0 0 267.332 2.688 50 0 CFAARN CC[C@H]1C=CCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000097474954 375564689 /nfs/dbraw/zinc/56/46/89/375564689.db2.gz XUJHIRKIKIEJTB-AWEZNQCLSA-N 0 0 267.332 2.663 50 0 CFAARN CC(C)(C)c1cc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])[nH]n1 ZINC000097475585 375564972 /nfs/dbraw/zinc/56/49/72/375564972.db2.gz CXYOCPJXEPOOGB-LBPRGKRZSA-N 0 0 279.384 2.536 50 0 CFAARN Cc1cccc(-c2ncccc2C(=O)N(C)C)c1F ZINC000097575077 375567861 /nfs/dbraw/zinc/56/78/61/375567861.db2.gz ZZXLYXGPGMBADT-UHFFFAOYSA-N 0 0 258.296 2.898 50 0 CFAARN CN1C[C@H](C(=O)NCC2=CCCCC2)Oc2ccccc21 ZINC000097609947 375573250 /nfs/dbraw/zinc/57/32/50/375573250.db2.gz LEPRJTLDSADSRJ-MRXNPFEDSA-N 0 0 286.375 2.500 50 0 CFAARN C[C@]1(c2ccccc2)NC(=O)N(C/C(Cl)=C\Cl)C1=O ZINC000098056190 375597155 /nfs/dbraw/zinc/59/71/55/375597155.db2.gz IBVHBAJBUCUSNR-UTSBKAFOSA-N 0 0 299.157 2.773 50 0 CFAARN CC/C(=C\C(=O)NCCCC(N)=O)c1cccc(Cl)c1 ZINC000098056145 375597187 /nfs/dbraw/zinc/59/71/87/375597187.db2.gz YDDXXXCSFBCWSH-ZHACJKMWSA-N 0 0 294.782 2.515 50 0 CFAARN CSCCN(C)C(=O)Nc1ccc(F)cc1C ZINC000097654110 375574780 /nfs/dbraw/zinc/57/47/80/375574780.db2.gz SCCHMLKNDXPNSV-UHFFFAOYSA-N 0 0 256.346 2.961 50 0 CFAARN Cc1nn(CC(=O)N2CC[C@H]2c2cccs2)c(C)c1C ZINC000097635097 375575762 /nfs/dbraw/zinc/57/57/62/375575762.db2.gz VZWFLRLCQQBVCP-ZDUSSCGKSA-N 0 0 289.404 2.843 50 0 CFAARN 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ZINC000097776223 375583751 /nfs/dbraw/zinc/58/37/51/375583751.db2.gz BKVXJFUKGFFTBC-LBPRGKRZSA-N 0 0 297.782 2.604 50 0 CFAARN CC(C)[C@@H](NC(=O)c1cccc2nccnc21)C(F)(F)F ZINC000097797194 375584193 /nfs/dbraw/zinc/58/41/93/375584193.db2.gz QXAJIEDPXLHNMH-GFCCVEGCSA-N 0 0 297.280 2.947 50 0 CFAARN Cc1n[nH]c(CN(Cc2cccnc2)C2CC2)c1Cl ZINC000097773126 375584212 /nfs/dbraw/zinc/58/42/12/375584212.db2.gz SFTTVPNXYBFIIV-UHFFFAOYSA-N 0 0 276.771 2.931 50 0 CFAARN Cc1ncc(C(C)C)c(-c2ccc(C(N)=O)cc2)n1 ZINC000097797633 375584295 /nfs/dbraw/zinc/58/42/95/375584295.db2.gz WEAAOKROLBKZRT-UHFFFAOYSA-N 0 0 255.321 2.674 50 0 CFAARN COCc1nc([C@@H]2CCOC2)nn1-c1cc(C)cc(C)c1 ZINC000097776083 375584606 /nfs/dbraw/zinc/58/46/06/375584606.db2.gz RBNHEEVORHHBAZ-CYBMUJFWSA-N 0 0 287.363 2.534 50 0 CFAARN COc1cccc(-c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)c1 ZINC000100131869 375614316 /nfs/dbraw/zinc/61/43/16/375614316.db2.gz FVWFLDYNSCTBKT-UHFFFAOYSA-N 0 0 296.330 2.660 50 0 CFAARN 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/nfs/dbraw/zinc/49/29/52/393492952.db2.gz CNWAKYSXUUTNEW-UHFFFAOYSA-N 0 0 299.754 2.722 50 0 CFAARN COC(=O)C1(NC(=O)c2ccc(F)cc2F)CCCCC1 ZINC000025168464 393493390 /nfs/dbraw/zinc/49/33/90/393493390.db2.gz IFIDFXLCBOVLOI-UHFFFAOYSA-N 0 0 297.301 2.571 50 0 CFAARN Cc1ccc(-n2cnc(C(=O)N3CCCC[C@@H]3C)n2)cc1 ZINC000034910666 393518481 /nfs/dbraw/zinc/51/84/81/393518481.db2.gz OEVNJSIFEVTYHF-ZDUSSCGKSA-N 0 0 284.363 2.590 50 0 CFAARN NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000035511698 393522866 /nfs/dbraw/zinc/52/28/66/393522866.db2.gz OFYIDMDVWIPHMR-UHFFFAOYSA-N 0 0 298.317 2.518 50 0 CFAARN Cc1ccc([C@H](O)CNC(=O)c2cc(Cl)ccn2)cc1 ZINC000036397542 393523942 /nfs/dbraw/zinc/52/39/42/393523942.db2.gz NYDIJCYHENOUCC-CQSZACIVSA-N 0 0 290.750 2.507 50 0 CFAARN O=C(C[C@@H]1C=CCC1)Nc1ccc2c(c1)CCC(=O)N2 ZINC000036397047 393524154 /nfs/dbraw/zinc/52/41/54/393524154.db2.gz QXHNPKBRLBLGIZ-LLVKDONJSA-N 0 0 270.332 2.866 50 0 CFAARN Cc1ccc([C@@H](C)NC(=O)/C=C/c2cccnc2)o1 ZINC000036397666 393525645 /nfs/dbraw/zinc/52/56/45/393525645.db2.gz CAOVLQMCHICPFB-WAFBPQNNSA-N 0 0 256.305 2.874 50 0 CFAARN Cc1cccc(N2CCN(C(=O)C(C)C)[C@H](C)C2=O)c1C ZINC000037522081 393531790 /nfs/dbraw/zinc/53/17/90/393531790.db2.gz UPJOPQFPAIFDBK-CQSZACIVSA-N 0 0 288.391 2.523 50 0 CFAARN O=C([O-])C1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC000037562121 393532531 /nfs/dbraw/zinc/53/25/31/393532531.db2.gz YXYNNERLHRXZJD-QPJJXVBHSA-N 0 0 259.349 2.933 50 0 CFAARN CC(C)C[C@]1(C)NC(=O)N(c2ccc(F)cc2)N1 ZINC000334161109 393575760 /nfs/dbraw/zinc/57/57/60/393575760.db2.gz TYSSYMLHCXCWBB-CYBMUJFWSA-N 0 0 251.305 2.622 50 0 CFAARN Cc1ccoc1C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000189019842 393570224 /nfs/dbraw/zinc/57/02/24/393570224.db2.gz BDNXJMNLBQJLFW-LBPRGKRZSA-N 0 0 275.279 2.981 50 0 CFAARN c1cnn(-c2cc(-c3ccc4ncccc4c3)ncn2)c1 ZINC000032534850 285554491 /nfs/dbraw/zinc/55/44/91/285554491.db2.gz XODBJGGTADSDJS-UHFFFAOYSA-N 0 0 273.299 2.878 50 0 CFAARN CC[C@H](C(=O)[O-])[N@@H+]1CCc2c(Br)cccc2C1 ZINC000191414980 393594658 /nfs/dbraw/zinc/59/46/58/393594658.db2.gz VJJJIIKCZKRNLU-GFCCVEGCSA-N 0 0 298.180 2.670 50 0 CFAARN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1Cl ZINC000048758626 393599677 /nfs/dbraw/zinc/59/96/77/393599677.db2.gz PXWFAFJLSVFYBO-HUUCEWRRSA-N 0 0 287.746 2.728 50 0 CFAARN c1coc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1 ZINC000001231710 285562328 /nfs/dbraw/zinc/56/23/28/285562328.db2.gz HBZQHZBOAMMZEW-UHFFFAOYSA-N 0 0 256.217 2.725 50 0 CFAARN Fc1cnccc1NCc1c[nH]nc1-c1cccnc1 ZINC000192150497 393615331 /nfs/dbraw/zinc/61/53/31/393615331.db2.gz KFYMXUMXSOGZJJ-UHFFFAOYSA-N 0 0 269.283 2.618 50 0 CFAARN Cc1ccc(-c2cc3c4n[nH]c(=S)n4ccn3n2)cc1C ZINC000057352210 393621733 /nfs/dbraw/zinc/62/17/33/393621733.db2.gz MVEJSVNVWPUVAM-UHFFFAOYSA-N 0 0 295.371 2.950 50 0 CFAARN C[C@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000057547599 393622125 /nfs/dbraw/zinc/62/21/25/393622125.db2.gz XSTSKDJVDOSDIF-SWLSCSKDSA-N 0 0 296.370 2.893 50 0 CFAARN CCCN(C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000058399448 393624204 /nfs/dbraw/zinc/62/42/04/393624204.db2.gz FPWVUBIHFYUFHW-UHFFFAOYSA-N 0 0 291.351 2.596 50 0 CFAARN CCC1=NO[C@@H](CNc2cc(C(C)C)nc(C)n2)C1 ZINC000065381760 393630812 /nfs/dbraw/zinc/63/08/12/393630812.db2.gz XAEBIHHLNLWTPE-GFCCVEGCSA-N 0 0 262.357 2.875 50 0 CFAARN Cn1cc(NC(=O)Nc2cccc(-n3cccc3)c2)cn1 ZINC000067574644 393632597 /nfs/dbraw/zinc/63/25/97/393632597.db2.gz MRGFJZFBKNOZPO-UHFFFAOYSA-N 0 0 281.319 2.855 50 0 CFAARN CC(C)(C)c1ncc2c(n1)CN(c1ncnc3[nH]ccc31)C2 ZINC000067514427 393632905 /nfs/dbraw/zinc/63/29/05/393632905.db2.gz PFCATGNDOHSQEE-UHFFFAOYSA-N 0 0 294.362 2.566 50 0 CFAARN Cc1cc(N[C@@H](C)[C@H]2CCOC2)ccc1C(=O)N(C)C ZINC000192894745 393636450 /nfs/dbraw/zinc/63/64/50/393636450.db2.gz XSBPUKMXRQAAAF-STQMWFEESA-N 0 0 276.380 2.534 50 0 CFAARN COc1cccc(Cl)c1CC(=O)OC1CCOCC1 ZINC000193025981 393640097 /nfs/dbraw/zinc/64/00/97/393640097.db2.gz YNRNBPNBBWUQFA-UHFFFAOYSA-N 0 0 284.739 2.613 50 0 CFAARN CCCC[C@@]1(C)NC(=O)[C@@H](C(Cl)(Cl)Cl)O1 ZINC000071771164 393640762 /nfs/dbraw/zinc/64/07/62/393640762.db2.gz CNHJJRABEVWTKQ-XPUUQOCRSA-N 0 0 274.575 2.778 50 0 CFAARN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(C)=O)CC1 ZINC000071915598 393642364 /nfs/dbraw/zinc/64/23/64/393642364.db2.gz GUHJWYRWJFONEE-HNNXBMFYSA-N 0 0 282.334 2.580 50 0 CFAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cccc[n+]1[O-] ZINC000195553708 393743400 /nfs/dbraw/zinc/74/34/00/393743400.db2.gz KVFHJDOBYODZLD-RDBSUJKOSA-N 0 0 276.380 2.511 50 0 CFAARN Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCCc3occc32)n1 ZINC000084101703 393746408 /nfs/dbraw/zinc/74/64/08/393746408.db2.gz HQOJCYSAAIDRAV-OCCSQVGLSA-N 0 0 287.363 2.848 50 0 CFAARN Cc1cc(C)c(C(N)=O)c(N2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000207297559 393752370 /nfs/dbraw/zinc/75/23/70/393752370.db2.gz KVFOLCVQRWYQJH-KBPBESRZSA-N 0 0 287.407 2.814 50 0 CFAARN CO[C@@H]1CCCN(C(=O)NCCc2ccc(C)cc2C)C1 ZINC000076557338 393689483 /nfs/dbraw/zinc/68/94/83/393689483.db2.gz FFKRQMITTKUKHT-MRXNPFEDSA-N 0 0 290.407 2.666 50 0 CFAARN Cc1cc2ncn(CC(=O)Nc3nccs3)c2cc1C ZINC000194643691 393712084 /nfs/dbraw/zinc/71/20/84/393712084.db2.gz KFKJGDFIONIAHT-UHFFFAOYSA-N 0 0 286.360 2.748 50 0 CFAARN Brc1ccc2[nH]nc(-c3ncc[nH]3)c2c1 ZINC000080441536 393726413 /nfs/dbraw/zinc/72/64/13/393726413.db2.gz ZPHRGJQCDGNHOP-UHFFFAOYSA-N 0 0 263.098 2.716 50 0 CFAARN O=C(NC1CC1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000080563451 393727389 /nfs/dbraw/zinc/72/73/89/393727389.db2.gz ZJFBXGNHUMAJJU-GFCCVEGCSA-N 0 0 293.798 2.770 50 0 CFAARN C[C@@H]1CN(CC2CCOCC2)c2ccccc2NC1=O ZINC000080739829 393728002 /nfs/dbraw/zinc/72/80/02/393728002.db2.gz SYKUFIQBJZXMSW-GFCCVEGCSA-N 0 0 274.364 2.508 50 0 CFAARN Cc1n[nH]cc1CN(C)C(=O)c1ccc2c(c1)CCCC2 ZINC000223793465 393766180 /nfs/dbraw/zinc/76/61/80/393766180.db2.gz HYGWRFVOOGVFAT-UHFFFAOYSA-N 0 0 283.375 2.869 50 0 CFAARN Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnccn1 ZINC000089575491 393768270 /nfs/dbraw/zinc/76/82/70/393768270.db2.gz CUYAVBMAASAARH-UHFFFAOYSA-N 0 0 271.320 2.866 50 0 CFAARN OCCCSCCNc1ncc(Cl)cc1Cl ZINC000230774884 393779516 /nfs/dbraw/zinc/77/95/16/393779516.db2.gz NTYYAVYOAUOGFX-UHFFFAOYSA-N 0 0 281.208 2.916 50 0 CFAARN C[C@H](C(=O)Nc1ccc2c(c1)COC2)c1cccnc1 ZINC000092049509 393786721 /nfs/dbraw/zinc/78/67/21/393786721.db2.gz WOVVVFYTERYREC-NSHDSACASA-N 0 0 268.316 2.854 50 0 CFAARN CCc1ncnc(N2CCS[C@H](C)[C@H]2C)c1F ZINC000240934395 393798096 /nfs/dbraw/zinc/79/80/96/393798096.db2.gz JBURTTSCGUJSJM-RKDXNWHRSA-N 0 0 255.362 2.508 50 0 CFAARN C[C@@](O)(c1cncc(Br)c1)C(F)(F)F ZINC000096528078 393837848 /nfs/dbraw/zinc/83/78/48/393837848.db2.gz RPYDNNYEBHKJJV-SSDOTTSWSA-N 0 0 270.048 2.614 50 0 CFAARN Cc1ccc(CNC(=O)c2cnc3c(c2)ncn3C)c(C)c1 ZINC000095996839 393814329 /nfs/dbraw/zinc/81/43/29/393814329.db2.gz PHKYXADGUAMEPU-UHFFFAOYSA-N 0 0 294.358 2.515 50 0 CFAARN COc1ccc2cc(-c3nc([C@H]4CCOC4)no3)n(C)c2c1 ZINC000096150251 393815615 /nfs/dbraw/zinc/81/56/15/393815615.db2.gz PPIITIUXYUNFFO-NSHDSACASA-N 0 0 299.330 2.741 50 0 CFAARN COc1cncc(-c2ccc(C(=O)N(C)C)s2)c1 ZINC000096151105 393816061 /nfs/dbraw/zinc/81/60/61/393816061.db2.gz HENQRKGNLRHRTO-UHFFFAOYSA-N 0 0 262.334 2.521 50 0 CFAARN CC[C@H](C)Nc1cc(C(=O)N2CCCCC2)nc(C)n1 ZINC000096182807 393817103 /nfs/dbraw/zinc/81/71/03/393817103.db2.gz KYMXNKMEPMBMFX-NSHDSACASA-N 0 0 276.384 2.622 50 0 CFAARN COC(=O)[C@H](NC(=O)/C=C\c1ccc(C)o1)c1ccccc1 ZINC000096188038 393817147 /nfs/dbraw/zinc/81/71/47/393817147.db2.gz VTODEHSAIDTLOG-BLIJAFNYSA-N 0 0 299.326 2.632 50 0 CFAARN CCOC(=O)[C@H]1CCCN(C(=O)/C=C\c2cccs2)C1 ZINC000096305088 393819191 /nfs/dbraw/zinc/81/91/91/393819191.db2.gz YPPPIEJOCLJCNK-KRZKBDHCSA-N 0 0 293.388 2.563 50 0 CFAARN CO[C@@](C)(CNC(=O)C1CC1)c1cccc(Cl)c1 ZINC000096392277 393820141 /nfs/dbraw/zinc/82/01/41/393820141.db2.gz RRJBPNQTQMOOHO-AWEZNQCLSA-N 0 0 267.756 2.728 50 0 CFAARN COc1cccc([C@@H](CNC(=O)[C@H]2CC=CCC2)OC)c1 ZINC000096390098 393820236 /nfs/dbraw/zinc/82/02/36/393820236.db2.gz FARPDBUOMHGCOX-XJKSGUPXSA-N 0 0 289.375 2.855 50 0 CFAARN C[C@@H](Cc1ccc2ccccc2c1)NC(=O)Cn1cccn1 ZINC000096402706 393820489 /nfs/dbraw/zinc/82/04/89/393820489.db2.gz FEXRISCYFTWRCW-AWEZNQCLSA-N 0 0 293.370 2.784 50 0 CFAARN COC(=O)NCc1ccc(NC(=O)C[C@@H](C)C2CC2)cc1 ZINC000096409236 393822318 /nfs/dbraw/zinc/82/23/18/393822318.db2.gz KCCBORJEIVUHKE-LLVKDONJSA-N 0 0 290.363 2.917 50 0 CFAARN COC(=O)CCCc1nc(CSc2cccs2)no1 ZINC000096409127 393822447 /nfs/dbraw/zinc/82/24/47/393822447.db2.gz JGAJZTVWCJSAEH-UHFFFAOYSA-N 0 0 298.389 2.919 50 0 CFAARN CCNC(=O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000096407788 393822728 /nfs/dbraw/zinc/82/27/28/393822728.db2.gz LJIXCZFBXKAMAB-CYBMUJFWSA-N 0 0 298.839 2.566 50 0 CFAARN CCc1ccc(C(=O)Nc2cccc3[nH]cnc32)o1 ZINC000096411806 393823567 /nfs/dbraw/zinc/82/35/67/393823567.db2.gz LZIZTGOMKUFFHO-UHFFFAOYSA-N 0 0 255.277 2.971 50 0 CFAARN CCN(C(=O)c1cnn(C(C)(C)C)c1)c1ccncc1 ZINC000096411742 393823747 /nfs/dbraw/zinc/82/37/47/393823747.db2.gz NUVZHJBFVSDCHC-UHFFFAOYSA-N 0 0 272.352 2.700 50 0 CFAARN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCOC1 ZINC000096412132 393824653 /nfs/dbraw/zinc/82/46/53/393824653.db2.gz ASGUTWHYLPVFQA-QKCSRTOESA-N 0 0 297.782 2.569 50 0 CFAARN CCc1nc(COc2cccc(NC(=O)C(C)C)c2)no1 ZINC000096413219 393824823 /nfs/dbraw/zinc/82/48/23/393824823.db2.gz CNLIDNVYNIRZOH-UHFFFAOYSA-N 0 0 289.335 2.806 50 0 CFAARN Cc1ncc(C(=O)N[C@@H](C)c2nc3c(s2)CCCC3)[nH]1 ZINC000096413348 393825021 /nfs/dbraw/zinc/82/50/21/393825021.db2.gz NJIZELQODRGQKZ-QMMMGPOBSA-N 0 0 290.392 2.544 50 0 CFAARN Cc1cccc(C(=O)Nc2cnn(-c3ncccn3)c2)c1C ZINC000096414109 393825079 /nfs/dbraw/zinc/82/50/79/393825079.db2.gz JUTZIDXTGHPSAS-UHFFFAOYSA-N 0 0 293.330 2.531 50 0 CFAARN C[C@H](CO)NC(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000096418131 393825750 /nfs/dbraw/zinc/82/57/50/393825750.db2.gz AHNJXMINBWPBOU-GFCCVEGCSA-N 0 0 292.379 2.648 50 0 CFAARN Cc1ccc(C[C@H](C)NC(=O)NCC[C@H]2CCCO2)s1 ZINC000096415274 393825782 /nfs/dbraw/zinc/82/57/82/393825782.db2.gz HCWVVZZLCIYBBO-WCQYABFASA-N 0 0 296.436 2.856 50 0 CFAARN CC[C@H](c1ccncc1)N(C)C(=O)NCC[C@H]1CCCO1 ZINC000096415268 393825809 /nfs/dbraw/zinc/82/58/09/393825809.db2.gz IWRWUDDHWWXSOK-HUUCEWRRSA-N 0 0 291.395 2.743 50 0 CFAARN CC[C@@H](NC(=O)Cc1ccccc1O)c1ncc(C)s1 ZINC000096415646 393826024 /nfs/dbraw/zinc/82/60/24/393826024.db2.gz GOGMYPPPOLTNEJ-GFCCVEGCSA-N 0 0 290.388 2.967 50 0 CFAARN CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCCOC1 ZINC000096416454 393826030 /nfs/dbraw/zinc/82/60/30/393826030.db2.gz CMFRDZLNPNQXQZ-CVEARBPZSA-N 0 0 275.392 2.797 50 0 CFAARN CC(C)[C@H](Cc1ccccc1)C(=O)N(C)Cc1nccn1C ZINC000096416991 393826089 /nfs/dbraw/zinc/82/60/89/393826089.db2.gz UHFOCAPITHHJSE-INIZCTEOSA-N 0 0 299.418 2.893 50 0 CFAARN O=C(NCc1ccccc1OCC1CC1)c1cccnc1 ZINC000096416762 393826300 /nfs/dbraw/zinc/82/63/00/393826300.db2.gz DQJOFMPIRIQLOI-UHFFFAOYSA-N 0 0 282.343 2.800 50 0 CFAARN CCc1ccccc1CNC(=O)CCc1ccccn1 ZINC000096418806 393827159 /nfs/dbraw/zinc/82/71/59/393827159.db2.gz GQIMYMXJWZAQKE-UHFFFAOYSA-N 0 0 268.360 2.893 50 0 CFAARN O=C1NC2(CCCC2)C(=O)N1CCSc1cccs1 ZINC000096422216 393827997 /nfs/dbraw/zinc/82/79/97/393827997.db2.gz WGUCTEPJZQYZKK-UHFFFAOYSA-N 0 0 296.417 2.705 50 0 CFAARN C[C@@H](C(=O)N1CC[C@@H](Cc2ccccc2)C1)n1cccn1 ZINC000096422484 393828345 /nfs/dbraw/zinc/82/83/45/393828345.db2.gz LFLWXYYQOMWPSI-HOCLYGCPSA-N 0 0 283.375 2.535 50 0 CFAARN COc1c(Cl)cccc1NC(=O)N[C@@H](CCO)C1CC1 ZINC000096421887 393828444 /nfs/dbraw/zinc/82/84/44/393828444.db2.gz YQENBGNYLLUSPD-NSHDSACASA-N 0 0 298.770 2.631 50 0 CFAARN O=C(Nc1cnn(CC(F)F)c1)c1cc2ccccn2c1 ZINC000096425199 393829133 /nfs/dbraw/zinc/82/91/33/393829133.db2.gz APSAPEMGPDFYEF-UHFFFAOYSA-N 0 0 290.273 2.653 50 0 CFAARN CSC1(CNC(=O)Cc2cccc(C)c2)CCOCC1 ZINC000096425607 393829595 /nfs/dbraw/zinc/82/95/95/393829595.db2.gz LXZLWRUNCBEZMP-UHFFFAOYSA-N 0 0 293.432 2.566 50 0 CFAARN C[S@](=O)c1ccc(NC(=O)c2cccc3c[nH]nc32)cc1 ZINC000096426991 393830821 /nfs/dbraw/zinc/83/08/21/393830821.db2.gz DMIBZKGATGJEKB-OAQYLSRUSA-N 0 0 299.355 2.553 50 0 CFAARN C[C@@H](CC(=O)NC[C@H]1CC=CCC1)NC(=O)OC(C)(C)C ZINC000096430736 393831343 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/nfs/dbraw/zinc/10/03/20/327100320.db2.gz DPVHJHVXWSAMKH-JTQLQIEISA-N 0 0 282.347 2.979 50 0 CFAARN Cc1csc(C(C)(C)NC(=O)CCc2cccnc2)n1 ZINC000071909347 327106408 /nfs/dbraw/zinc/10/64/08/327106408.db2.gz LAJMJICTEZJXTI-UHFFFAOYSA-N 0 0 289.404 2.831 50 0 CFAARN C[C@@H](C(=O)NC[C@H](O)c1ccco1)c1cccc(Cl)c1 ZINC000096436091 329526117 /nfs/dbraw/zinc/52/61/17/329526117.db2.gz FLKAKBFZTFTHHJ-MFKMUULPSA-N 0 0 293.750 2.886 50 0 CFAARN Cn1ccc2ccc(C(=O)NCCc3ccc(O)cc3)cc21 ZINC000263588051 330060230 /nfs/dbraw/zinc/06/02/30/330060230.db2.gz OMNHJUYZGPEEKB-UHFFFAOYSA-N 0 0 294.354 2.856 50 0 CFAARN Cn1cc(/C=C\C(=O)NC2CCCCCCC2)cn1 ZINC000096403109 330438679 /nfs/dbraw/zinc/43/86/79/330438679.db2.gz GKXNOSVWAZMPGY-KTKRTIGZSA-N 0 0 261.369 2.662 50 0 CFAARN O[C@@H]1CCC[C@H]1Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000195575387 331178704 /nfs/dbraw/zinc/17/87/04/331178704.db2.gz BOGYFKQQSVBXPP-VXGBXAGGSA-N 0 0 293.367 2.593 50 0 CFAARN CC(C)(C)OC(=O)N1CC[C@H](O)[C@H]1Cc1ccccc1 ZINC000169599319 333180580 /nfs/dbraw/zinc/18/05/80/333180580.db2.gz GOBHYMQCYUHPBS-KGLIPLIRSA-N 0 0 277.364 2.599 50 0 CFAARN O=c1c(=O)c(-c2ccccc2)c1Nc1cccc(F)c1 ZINC000006892921 336190386 /nfs/dbraw/zinc/19/03/86/336190386.db2.gz NXXXJPREHFFJTG-UHFFFAOYSA-N 0 0 267.259 2.832 50 0 CFAARN CC[C@H](C)Cc1nc(-c2ccc(C)nc2C)n(CCO)n1 ZINC000828778359 782107375 /nfs/dbraw/zinc/10/73/75/782107375.db2.gz KGUNTYRYQBCUTE-NSHDSACASA-N 0 0 288.395 2.538 50 0 CFAARN